USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 538 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 50:sc= 2.4 USER MOD Set 1.2: A 40 TYR OH : rot 49:sc= 2.4 USER MOD Set 1.3: A 48 THR OG1 : rot -37:sc= 1.23 USER MOD Single : A 6 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0282 USER MOD Single : A 42 SER OG : rot -31:sc= 0.616 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.221 (180deg=-0.78) USER MOD Single : A 54 SER OG : rot 90:sc=0.000427 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 79 ASN : amide:sc= -0.575 K(o=-0.58,f=0.23) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.056 7.143 -0.321 1.00 0.91 N ATOM 45 CA LEU A 4 10.989 6.567 0.453 1.00 0.65 C ATOM 46 C LEU A 4 9.625 7.067 0.026 1.00 0.63 C ATOM 47 O LEU A 4 9.480 7.801 -0.960 1.00 0.84 O ATOM 48 CB LEU A 4 11.207 6.829 1.952 1.00 0.62 C ATOM 49 CG LEU A 4 12.491 6.256 2.562 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.554 6.560 4.045 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.581 4.760 2.330 1.00 0.51 C ATOM 0 HA LEU A 4 11.010 5.493 0.268 1.00 0.65 H new ATOM 0 HB2 LEU A 4 11.202 7.907 2.115 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.357 6.420 2.498 1.00 0.62 H new ATOM 0 HG LEU A 4 13.340 6.730 2.069 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.472 6.146 4.463 1.00 0.80 H new ATOM 0 HD12 LEU A 4 12.541 7.639 4.196 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.694 6.113 4.545 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.501 4.378 2.772 1.00 0.51 H new ATOM 0 HD22 LEU A 4 11.725 4.268 2.792 1.00 0.51 H new ATOM 0 HD23 LEU A 4 12.582 4.557 1.259 1.00 0.51 H new ATOM 63 N LEU A 5 8.636 6.626 0.755 1.00 0.44 N ATOM 64 CA LEU A 5 7.266 7.006 0.555 1.00 0.40 C ATOM 65 C LEU A 5 6.732 7.476 1.872 1.00 0.35 C ATOM 66 O LEU A 5 6.934 6.813 2.892 1.00 0.41 O ATOM 67 CB LEU A 5 6.421 5.816 0.066 1.00 0.41 C ATOM 68 CG LEU A 5 6.734 5.269 -1.325 1.00 0.59 C ATOM 69 CD1 LEU A 5 5.888 4.040 -1.606 1.00 0.72 C ATOM 70 CD2 LEU A 5 6.473 6.326 -2.372 1.00 0.81 C ATOM 0 H LEU A 5 8.766 5.973 1.527 1.00 0.44 H new ATOM 0 HA LEU A 5 7.214 7.788 -0.203 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.534 5.003 0.783 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.373 6.114 0.085 1.00 0.41 H new ATOM 0 HG LEU A 5 7.787 4.989 -1.362 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.120 3.659 -2.600 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.104 3.272 -0.863 1.00 0.72 H new ATOM 0 HD13 LEU A 5 4.832 4.306 -1.556 1.00 0.72 H new ATOM 0 HD21 LEU A 5 6.700 5.924 -3.359 1.00 0.81 H new ATOM 0 HD22 LEU A 5 5.426 6.625 -2.334 1.00 0.81 H new ATOM 0 HD23 LEU A 5 7.105 7.193 -2.179 1.00 0.81 H new ATOM 82 N THR A 6 6.089 8.588 1.872 1.00 0.37 N ATOM 83 CA THR A 6 5.538 9.119 3.075 1.00 0.42 C ATOM 84 C THR A 6 4.057 8.771 3.150 1.00 0.35 C ATOM 85 O THR A 6 3.542 8.079 2.243 1.00 0.34 O ATOM 86 CB THR A 6 5.741 10.643 3.132 1.00 0.59 C ATOM 87 OG1 THR A 6 5.089 11.271 1.999 1.00 0.65 O ATOM 88 CG2 THR A 6 7.225 10.982 3.101 1.00 0.72 C ATOM 0 H THR A 6 5.928 9.158 1.042 1.00 0.37 H new ATOM 0 HA THR A 6 6.051 8.679 3.930 1.00 0.42 H new ATOM 0 HB THR A 6 5.306 11.014 4.060 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.621 11.119 1.190 1.00 0.65 H new ATOM 0 HG21 THR A 6 7.352 12.064 3.142 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.720 10.526 3.958 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.666 10.599 2.181 1.00 0.72 H new ATOM 96 N THR A 7 3.368 9.231 4.194 1.00 0.40 N ATOM 97 CA THR A 7 1.941 9.019 4.326 1.00 0.43 C ATOM 98 C THR A 7 1.234 9.573 3.082 1.00 0.41 C ATOM 99 O THR A 7 0.394 8.921 2.508 1.00 0.43 O ATOM 100 CB THR A 7 1.400 9.720 5.580 1.00 0.58 C ATOM 101 OG1 THR A 7 2.325 9.520 6.665 1.00 0.69 O ATOM 102 CG2 THR A 7 0.048 9.118 5.964 1.00 0.66 C ATOM 0 H THR A 7 3.786 9.756 4.962 1.00 0.40 H new ATOM 0 HA THR A 7 1.750 7.950 4.420 1.00 0.43 H new ATOM 0 HB THR A 7 1.281 10.784 5.378 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.987 9.966 7.469 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.333 9.618 6.854 1.00 0.66 H new ATOM 0 HG22 THR A 7 -0.656 9.252 5.143 1.00 0.66 H new ATOM 0 HG23 THR A 7 0.168 8.054 6.169 1.00 0.66 H new ATOM 110 N ASP A 8 1.623 10.780 2.675 1.00 0.44 N ATOM 111 CA ASP A 8 1.069 11.437 1.473 1.00 0.51 C ATOM 112 C ASP A 8 1.276 10.631 0.211 1.00 0.47 C ATOM 113 O ASP A 8 0.390 10.569 -0.652 1.00 0.52 O ATOM 114 CB ASP A 8 1.629 12.839 1.282 1.00 0.63 C ATOM 115 CG ASP A 8 0.914 13.873 2.099 1.00 1.46 C ATOM 116 OD1 ASP A 8 1.086 13.903 3.344 1.00 2.38 O ATOM 117 OD2 ASP A 8 0.175 14.691 1.506 1.00 1.63 O ATOM 0 H ASP A 8 2.327 11.335 3.161 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.004 11.506 1.652 1.00 0.51 H new ATOM 0 HB2 ASP A 8 2.686 12.841 1.548 1.00 0.63 H new ATOM 0 HB3 ASP A 8 1.565 13.109 0.228 1.00 0.63 H new ATOM 122 N ASP A 9 2.429 10.007 0.092 1.00 0.45 N ATOM 123 CA ASP A 9 2.730 9.185 -1.088 1.00 0.49 C ATOM 124 C ASP A 9 1.841 7.986 -1.103 1.00 0.47 C ATOM 125 O ASP A 9 1.266 7.626 -2.133 1.00 0.56 O ATOM 126 CB ASP A 9 4.175 8.702 -1.105 1.00 0.60 C ATOM 127 CG ASP A 9 5.180 9.788 -1.280 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.380 10.239 -2.421 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.766 10.231 -0.278 1.00 2.00 O ATOM 0 H ASP A 9 3.176 10.045 0.786 1.00 0.45 H new ATOM 0 HA ASP A 9 2.564 9.813 -1.963 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.382 8.178 -0.172 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.295 7.978 -1.911 1.00 0.60 H new ATOM 134 N LEU A 10 1.723 7.385 0.052 1.00 0.42 N ATOM 135 CA LEU A 10 0.906 6.221 0.250 1.00 0.44 C ATOM 136 C LEU A 10 -0.566 6.591 0.044 1.00 0.42 C ATOM 137 O LEU A 10 -1.336 5.813 -0.511 1.00 0.50 O ATOM 138 CB LEU A 10 1.124 5.707 1.671 1.00 0.45 C ATOM 139 CG LEU A 10 0.444 4.397 2.042 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.132 3.221 1.355 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.412 4.217 3.547 1.00 0.80 C ATOM 0 H LEU A 10 2.202 7.698 0.896 1.00 0.42 H new ATOM 0 HA LEU A 10 1.177 5.444 -0.465 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.196 5.589 1.828 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.783 6.475 2.365 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.587 4.431 1.691 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.631 2.294 1.633 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.081 3.351 0.274 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.176 3.177 1.667 1.00 0.66 H new ATOM 0 HD21 LEU A 10 -0.078 3.274 3.790 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.431 4.206 3.934 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.140 5.041 4.000 1.00 0.80 H new ATOM 153 N ARG A 11 -0.921 7.802 0.487 1.00 0.40 N ATOM 154 CA ARG A 11 -2.271 8.341 0.387 1.00 0.41 C ATOM 155 C ARG A 11 -2.786 8.260 -1.021 1.00 0.40 C ATOM 156 O ARG A 11 -3.844 7.674 -1.257 1.00 0.42 O ATOM 157 CB ARG A 11 -2.355 9.800 0.866 1.00 0.48 C ATOM 158 CG ARG A 11 -3.792 10.290 1.008 1.00 0.58 C ATOM 159 CD ARG A 11 -3.895 11.810 1.113 1.00 0.72 C ATOM 160 NE ARG A 11 -3.285 12.354 2.325 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.193 13.673 2.618 1.00 1.74 C ATOM 162 NH1 ARG A 11 -3.616 14.592 1.741 1.00 2.01 N ATOM 163 NH2 ARG A 11 -2.675 14.065 3.784 1.00 2.57 N ATOM 0 H ARG A 11 -0.263 8.442 0.932 1.00 0.40 H new ATOM 0 HA ARG A 11 -2.890 7.726 1.040 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -1.847 9.893 1.826 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.825 10.441 0.161 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.373 9.950 0.150 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.238 9.839 1.894 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -3.417 12.259 0.242 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -4.946 12.098 1.084 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.901 11.692 2.999 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -4.010 14.300 0.847 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -3.544 15.584 1.967 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.348 13.371 4.456 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -2.606 15.059 4.003 1.00 2.57 H new ATOM 177 N ARG A 12 -2.044 8.853 -1.967 1.00 0.43 N ATOM 178 CA ARG A 12 -2.479 8.825 -3.350 1.00 0.49 C ATOM 179 C ARG A 12 -2.590 7.403 -3.865 1.00 0.49 C ATOM 180 O ARG A 12 -3.546 7.078 -4.506 1.00 0.59 O ATOM 181 CB ARG A 12 -1.647 9.708 -4.314 1.00 0.64 C ATOM 182 CG ARG A 12 -0.212 9.267 -4.566 1.00 0.85 C ATOM 183 CD ARG A 12 0.389 10.035 -5.742 1.00 1.00 C ATOM 184 NE ARG A 12 -0.385 9.817 -6.987 1.00 1.77 N ATOM 185 CZ ARG A 12 -0.216 10.474 -8.148 1.00 2.43 C ATOM 186 NH1 ARG A 12 0.792 11.338 -8.309 1.00 2.51 N ATOM 187 NH2 ARG A 12 -1.057 10.244 -9.150 1.00 3.48 N ATOM 0 H ARG A 12 -1.165 9.342 -1.797 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.471 9.278 -3.340 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -2.165 9.750 -5.272 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.628 10.723 -3.917 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.388 9.434 -3.671 1.00 0.85 H new ATOM 0 HG3 ARG A 12 -0.186 8.197 -4.772 1.00 0.85 H new ATOM 0 HD2 ARG A 12 0.412 11.099 -5.509 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.421 9.720 -5.894 1.00 1.00 H new ATOM 0 HE ARG A 12 -1.113 9.103 -6.961 1.00 1.77 H new ATOM 0 HH11 ARG A 12 1.446 11.506 -7.545 1.00 2.51 H new ATOM 0 HH12 ARG A 12 0.907 11.828 -9.196 1.00 2.51 H new ATOM 0 HH21 ARG A 12 -1.819 9.576 -9.033 1.00 3.48 H new ATOM 0 HH22 ARG A 12 -0.941 10.735 -10.036 1.00 3.48 H new ATOM 201 N ALA A 13 -1.652 6.543 -3.481 1.00 0.50 N ATOM 202 CA ALA A 13 -1.640 5.168 -3.967 1.00 0.59 C ATOM 203 C ALA A 13 -2.893 4.430 -3.510 1.00 0.55 C ATOM 204 O ALA A 13 -3.613 3.872 -4.329 1.00 0.65 O ATOM 205 CB ALA A 13 -0.385 4.446 -3.495 1.00 0.70 C ATOM 0 H ALA A 13 -0.894 6.772 -2.838 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.633 5.186 -5.057 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.393 3.421 -3.867 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.497 4.963 -3.874 1.00 0.70 H new ATOM 0 HB3 ALA A 13 -0.359 4.436 -2.405 1.00 0.70 H new ATOM 211 N LEU A 14 -3.183 4.521 -2.217 1.00 0.47 N ATOM 212 CA LEU A 14 -4.356 3.888 -1.632 1.00 0.48 C ATOM 213 C LEU A 14 -5.644 4.466 -2.199 1.00 0.53 C ATOM 214 O LEU A 14 -6.558 3.732 -2.551 1.00 0.70 O ATOM 215 CB LEU A 14 -4.341 4.012 -0.094 1.00 0.48 C ATOM 216 CG LEU A 14 -3.635 2.897 0.709 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.348 1.571 0.531 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.186 2.757 0.317 1.00 0.92 C ATOM 0 H LEU A 14 -2.612 5.035 -1.547 1.00 0.47 H new ATOM 0 HA LEU A 14 -4.319 2.831 -1.894 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -3.868 4.960 0.161 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.374 4.069 0.248 1.00 0.48 H new ATOM 0 HG LEU A 14 -3.675 3.185 1.760 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.833 0.801 1.105 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.376 1.660 0.883 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -4.349 1.297 -0.524 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -1.725 1.963 0.904 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -2.118 2.511 -0.743 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -1.666 3.696 0.506 1.00 0.92 H new ATOM 230 N VAL A 15 -5.730 5.766 -2.266 1.00 0.49 N ATOM 231 CA VAL A 15 -6.899 6.417 -2.821 1.00 0.60 C ATOM 232 C VAL A 15 -7.117 6.069 -4.313 1.00 0.66 C ATOM 233 O VAL A 15 -8.241 5.742 -4.722 1.00 0.87 O ATOM 234 CB VAL A 15 -6.885 7.944 -2.545 1.00 0.64 C ATOM 235 CG1 VAL A 15 -7.995 8.670 -3.300 1.00 0.88 C ATOM 236 CG2 VAL A 15 -7.043 8.169 -1.038 1.00 0.84 C ATOM 0 H VAL A 15 -5.003 6.404 -1.943 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.770 6.018 -2.301 1.00 0.60 H new ATOM 0 HB VAL A 15 -5.937 8.352 -2.896 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -7.949 9.736 -3.078 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -7.867 8.516 -4.371 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -8.963 8.277 -2.990 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -7.035 9.238 -0.827 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -7.987 7.740 -0.703 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -6.219 7.689 -0.510 1.00 0.84 H new ATOM 246 N GLU A 16 -6.046 6.085 -5.102 1.00 0.64 N ATOM 247 CA GLU A 16 -6.127 5.814 -6.532 1.00 0.77 C ATOM 248 C GLU A 16 -6.548 4.379 -6.843 1.00 0.70 C ATOM 249 O GLU A 16 -7.464 4.174 -7.649 1.00 0.81 O ATOM 250 CB GLU A 16 -4.841 6.216 -7.272 1.00 0.95 C ATOM 251 CG GLU A 16 -4.554 7.712 -7.189 1.00 1.63 C ATOM 252 CD GLU A 16 -3.312 8.148 -7.914 1.00 1.66 C ATOM 253 OE1 GLU A 16 -2.202 7.809 -7.464 1.00 1.92 O ATOM 254 OE2 GLU A 16 -3.405 8.813 -8.957 1.00 2.10 O ATOM 0 H GLU A 16 -5.103 6.285 -4.769 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.925 6.451 -6.915 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.999 5.665 -6.853 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -4.923 5.924 -8.319 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -5.407 8.256 -7.595 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -4.466 7.995 -6.140 1.00 1.63 H new ATOM 261 N SER A 17 -5.958 3.386 -6.175 1.00 0.58 N ATOM 262 CA SER A 17 -6.350 1.995 -6.413 1.00 0.61 C ATOM 263 C SER A 17 -7.751 1.686 -5.836 1.00 0.69 C ATOM 264 O SER A 17 -8.335 0.620 -6.100 1.00 0.82 O ATOM 265 CB SER A 17 -5.254 1.017 -5.931 1.00 0.57 C ATOM 266 OG SER A 17 -4.798 1.355 -4.644 1.00 1.00 O ATOM 0 H SER A 17 -5.223 3.513 -5.480 1.00 0.58 H new ATOM 0 HA SER A 17 -6.440 1.846 -7.489 1.00 0.61 H new ATOM 0 HB2 SER A 17 -5.648 0.001 -5.924 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.418 1.030 -6.631 1.00 0.57 H new ATOM 0 HG SER A 17 -5.566 1.485 -4.049 1.00 1.00 H new ATOM 400 N ASP A 29 -8.263 9.043 4.634 1.00 0.68 N ATOM 401 CA ASP A 29 -8.460 8.191 5.801 1.00 0.75 C ATOM 402 C ASP A 29 -8.347 6.740 5.440 1.00 0.61 C ATOM 403 O ASP A 29 -9.207 6.192 4.765 1.00 0.71 O ATOM 404 CB ASP A 29 -9.795 8.448 6.504 1.00 1.18 C ATOM 405 CG ASP A 29 -9.863 9.788 7.172 1.00 1.63 C ATOM 406 OD1 ASP A 29 -9.231 9.968 8.241 1.00 2.14 O ATOM 407 OD2 ASP A 29 -10.542 10.701 6.638 1.00 2.17 O ATOM 0 HA ASP A 29 -7.665 8.450 6.500 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -10.602 8.371 5.776 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -9.962 7.669 7.248 1.00 1.18 H new ATOM 412 N PHE A 30 -7.268 6.141 5.862 1.00 0.48 N ATOM 413 CA PHE A 30 -6.986 4.724 5.625 1.00 0.41 C ATOM 414 C PHE A 30 -5.918 4.221 6.589 1.00 0.34 C ATOM 415 O PHE A 30 -6.012 3.129 7.085 1.00 0.34 O ATOM 416 CB PHE A 30 -6.494 4.462 4.164 1.00 0.47 C ATOM 417 CG PHE A 30 -5.313 5.320 3.765 1.00 0.39 C ATOM 418 CD1 PHE A 30 -5.503 6.581 3.224 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.026 4.844 3.886 1.00 0.44 C ATOM 420 CE1 PHE A 30 -4.437 7.343 2.814 1.00 0.71 C ATOM 421 CE2 PHE A 30 -2.958 5.600 3.472 1.00 0.52 C ATOM 422 CZ PHE A 30 -3.148 6.920 3.141 1.00 0.60 C ATOM 0 H PHE A 30 -6.538 6.619 6.391 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.922 4.189 5.784 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -6.221 3.412 4.063 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.317 4.645 3.473 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -6.505 6.971 3.123 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -3.856 3.866 4.311 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -4.593 8.251 2.250 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -1.974 5.160 3.407 1.00 0.52 H new ATOM 0 HZ PHE A 30 -2.320 7.613 3.134 1.00 0.60 H new ATOM 432 N LEU A 31 -4.962 5.103 6.895 1.00 0.36 N ATOM 433 CA LEU A 31 -3.678 4.788 7.535 1.00 0.36 C ATOM 434 C LEU A 31 -3.750 3.835 8.726 1.00 0.35 C ATOM 435 O LEU A 31 -2.957 2.889 8.803 1.00 0.37 O ATOM 436 CB LEU A 31 -2.942 6.083 7.921 1.00 0.44 C ATOM 437 CG LEU A 31 -1.539 5.914 8.511 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.576 5.357 7.472 1.00 0.52 C ATOM 439 CD2 LEU A 31 -1.029 7.229 9.074 1.00 0.64 C ATOM 0 H LEU A 31 -5.064 6.098 6.696 1.00 0.36 H new ATOM 0 HA LEU A 31 -3.116 4.240 6.779 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.867 6.712 7.034 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -3.554 6.623 8.643 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.600 5.197 9.330 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.414 5.246 7.915 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.932 4.385 7.131 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.519 6.041 6.625 1.00 0.52 H new ATOM 0 HD21 LEU A 31 -0.031 7.085 9.488 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.988 7.974 8.279 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -1.701 7.573 9.860 1.00 0.64 H new ATOM 451 N ASP A 32 -4.676 4.058 9.627 1.00 0.38 N ATOM 452 CA ASP A 32 -4.720 3.241 10.835 1.00 0.45 C ATOM 453 C ASP A 32 -5.828 2.186 10.769 1.00 0.41 C ATOM 454 O ASP A 32 -5.903 1.279 11.593 1.00 0.47 O ATOM 455 CB ASP A 32 -4.894 4.137 12.059 1.00 0.64 C ATOM 456 CG ASP A 32 -4.570 3.424 13.342 1.00 1.55 C ATOM 457 OD1 ASP A 32 -3.376 3.223 13.656 1.00 2.06 O ATOM 458 OD2 ASP A 32 -5.517 3.044 14.054 1.00 2.29 O ATOM 0 H ASP A 32 -5.396 4.777 9.560 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.775 2.705 10.916 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.251 5.011 11.960 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.921 4.500 12.097 1.00 0.64 H new ATOM 463 N LEU A 33 -6.662 2.293 9.775 1.00 0.41 N ATOM 464 CA LEU A 33 -7.788 1.401 9.613 1.00 0.45 C ATOM 465 C LEU A 33 -7.341 0.197 8.767 1.00 0.44 C ATOM 466 O LEU A 33 -6.564 0.361 7.842 1.00 0.56 O ATOM 467 CB LEU A 33 -8.920 2.181 8.935 1.00 0.51 C ATOM 468 CG LEU A 33 -10.288 1.517 8.860 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.821 1.249 10.255 1.00 1.65 C ATOM 470 CD2 LEU A 33 -11.248 2.406 8.087 1.00 1.61 C ATOM 0 H LEU A 33 -6.585 3.003 9.047 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.148 1.028 10.571 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -9.035 3.129 9.460 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -8.604 2.415 7.918 1.00 0.51 H new ATOM 0 HG LEU A 33 -10.193 0.563 8.341 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -11.800 0.774 10.186 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -10.135 0.590 10.786 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -10.912 2.190 10.797 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -12.226 1.927 8.036 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -11.341 3.367 8.592 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -10.867 2.562 7.078 1.00 1.61 H new ATOM 482 N ARG A 34 -7.812 -0.998 9.078 1.00 0.45 N ATOM 483 CA ARG A 34 -7.369 -2.186 8.344 1.00 0.50 C ATOM 484 C ARG A 34 -8.045 -2.174 6.961 1.00 0.45 C ATOM 485 O ARG A 34 -9.190 -1.765 6.847 1.00 0.54 O ATOM 486 CB ARG A 34 -7.710 -3.475 9.162 1.00 0.71 C ATOM 487 CG ARG A 34 -6.824 -4.702 8.871 1.00 1.08 C ATOM 488 CD ARG A 34 -7.119 -5.362 7.539 1.00 1.18 C ATOM 489 NE ARG A 34 -5.934 -6.038 6.981 1.00 1.90 N ATOM 490 CZ ARG A 34 -5.961 -7.146 6.223 1.00 2.49 C ATOM 491 NH1 ARG A 34 -7.026 -7.924 6.220 1.00 2.61 N ATOM 492 NH2 ARG A 34 -4.881 -7.515 5.541 1.00 3.35 N ATOM 0 H ARG A 34 -8.489 -1.178 9.819 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.288 -2.180 8.203 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -7.637 -3.240 10.224 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.748 -3.744 8.966 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -5.778 -4.397 8.892 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -6.959 -5.434 9.667 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -7.924 -6.086 7.664 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.473 -4.611 6.833 1.00 1.18 H new ATOM 0 HE ARG A 34 -5.021 -5.632 7.187 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -7.834 -7.685 6.795 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -7.042 -8.765 5.643 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -4.029 -6.956 5.593 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -4.904 -8.357 4.966 1.00 3.35 H new ATOM 506 N PHE A 35 -7.309 -2.605 5.927 1.00 0.40 N ATOM 507 CA PHE A 35 -7.752 -2.575 4.507 1.00 0.40 C ATOM 508 C PHE A 35 -9.197 -3.046 4.293 1.00 0.46 C ATOM 509 O PHE A 35 -9.957 -2.402 3.580 1.00 0.49 O ATOM 510 CB PHE A 35 -6.816 -3.387 3.625 1.00 0.39 C ATOM 511 CG PHE A 35 -5.407 -2.910 3.642 1.00 0.35 C ATOM 512 CD1 PHE A 35 -5.037 -1.790 2.927 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.453 -3.576 4.375 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.739 -1.345 2.942 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.156 -3.138 4.394 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.798 -2.023 3.678 1.00 0.48 C ATOM 0 H PHE A 35 -6.373 -2.992 6.045 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.717 -1.524 4.220 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.841 -4.428 3.947 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -7.186 -3.362 2.600 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.777 -1.257 2.349 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.730 -4.453 4.941 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -3.459 -0.467 2.379 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.415 -3.670 4.972 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.775 -1.678 3.693 1.00 0.48 H new ATOM 526 N GLU A 36 -9.565 -4.143 4.915 1.00 0.58 N ATOM 527 CA GLU A 36 -10.941 -4.676 4.847 1.00 0.74 C ATOM 528 C GLU A 36 -11.976 -3.603 5.185 1.00 0.75 C ATOM 529 O GLU A 36 -13.024 -3.500 4.550 1.00 0.84 O ATOM 530 CB GLU A 36 -11.094 -5.801 5.843 1.00 0.92 C ATOM 531 CG GLU A 36 -10.229 -6.999 5.577 1.00 1.14 C ATOM 532 CD GLU A 36 -10.255 -7.955 6.724 1.00 1.56 C ATOM 533 OE1 GLU A 36 -11.203 -8.761 6.835 1.00 1.93 O ATOM 534 OE2 GLU A 36 -9.330 -7.911 7.545 1.00 2.26 O ATOM 0 H GLU A 36 -8.933 -4.703 5.486 1.00 0.58 H new ATOM 0 HA GLU A 36 -11.109 -5.025 3.828 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -10.866 -5.420 6.838 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -12.137 -6.118 5.854 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -10.571 -7.503 4.673 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -9.204 -6.676 5.393 1.00 1.14 H new ATOM 541 N ASP A 37 -11.633 -2.769 6.146 1.00 0.70 N ATOM 542 CA ASP A 37 -12.521 -1.753 6.646 1.00 0.77 C ATOM 543 C ASP A 37 -12.393 -0.469 5.840 1.00 0.71 C ATOM 544 O ASP A 37 -13.206 0.431 5.983 1.00 0.80 O ATOM 545 CB ASP A 37 -12.237 -1.450 8.126 1.00 0.85 C ATOM 546 CG ASP A 37 -12.272 -2.658 9.034 1.00 1.48 C ATOM 547 OD1 ASP A 37 -13.328 -3.325 9.151 1.00 1.64 O ATOM 548 OD2 ASP A 37 -11.247 -2.974 9.655 1.00 2.27 O ATOM 0 H ASP A 37 -10.721 -2.782 6.602 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.536 -2.137 6.548 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.256 -0.981 8.205 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -12.968 -0.724 8.481 1.00 0.85 H new ATOM 553 N ILE A 38 -11.380 -0.378 4.975 1.00 0.62 N ATOM 554 CA ILE A 38 -11.190 0.837 4.171 1.00 0.65 C ATOM 555 C ILE A 38 -11.749 0.644 2.776 1.00 0.69 C ATOM 556 O ILE A 38 -11.431 1.393 1.849 1.00 0.75 O ATOM 557 CB ILE A 38 -9.703 1.333 4.058 1.00 0.61 C ATOM 558 CG1 ILE A 38 -8.797 0.358 3.279 1.00 0.53 C ATOM 559 CG2 ILE A 38 -9.122 1.600 5.423 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.411 0.902 2.999 1.00 0.56 C ATOM 0 H ILE A 38 -10.691 -1.112 4.813 1.00 0.62 H new ATOM 0 HA ILE A 38 -11.733 1.612 4.711 1.00 0.65 H new ATOM 0 HB ILE A 38 -9.735 2.262 3.489 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -8.706 -0.569 3.845 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.277 0.108 2.333 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -8.092 1.942 5.320 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -9.711 2.368 5.925 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.142 0.684 6.013 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -6.833 0.160 2.448 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.491 1.813 2.406 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -6.911 1.125 3.941 1.00 0.56 H new ATOM 572 N GLY A 39 -12.631 -0.308 2.646 1.00 0.72 N ATOM 573 CA GLY A 39 -13.219 -0.592 1.372 1.00 0.81 C ATOM 574 C GLY A 39 -12.257 -1.297 0.454 1.00 0.67 C ATOM 575 O GLY A 39 -12.326 -1.148 -0.765 1.00 0.72 O ATOM 0 H GLY A 39 -12.957 -0.900 3.410 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.106 -1.209 1.511 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -13.548 0.338 0.908 1.00 0.81 H new ATOM 579 N TYR A 40 -11.319 -2.022 1.029 1.00 0.57 N ATOM 580 CA TYR A 40 -10.398 -2.787 0.254 1.00 0.54 C ATOM 581 C TYR A 40 -10.808 -4.217 0.158 1.00 0.64 C ATOM 582 O TYR A 40 -11.048 -4.890 1.157 1.00 0.79 O ATOM 583 CB TYR A 40 -8.932 -2.607 0.688 1.00 0.55 C ATOM 584 CG TYR A 40 -8.228 -1.568 -0.118 1.00 0.55 C ATOM 585 CD1 TYR A 40 -8.852 -0.383 -0.455 1.00 0.71 C ATOM 586 CD2 TYR A 40 -6.964 -1.808 -0.613 1.00 0.68 C ATOM 587 CE1 TYR A 40 -8.233 0.535 -1.249 1.00 0.87 C ATOM 588 CE2 TYR A 40 -6.342 -0.899 -1.425 1.00 0.82 C ATOM 589 CZ TYR A 40 -6.982 0.271 -1.738 1.00 0.89 C ATOM 590 OH TYR A 40 -6.389 1.151 -2.575 1.00 1.12 O ATOM 0 H TYR A 40 -11.184 -2.089 2.038 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.440 -2.381 -0.757 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.898 -2.331 1.742 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.407 -3.557 0.590 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -9.846 -0.181 -0.084 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.457 -2.727 -0.356 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -8.726 1.465 -1.491 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -5.356 -1.102 -1.815 1.00 0.82 H new ATOM 0 HH TYR A 40 -6.451 2.053 -2.198 1.00 1.12 H new ATOM 600 N ASP A 41 -10.904 -4.648 -1.056 1.00 0.68 N ATOM 601 CA ASP A 41 -11.292 -5.992 -1.417 1.00 0.90 C ATOM 602 C ASP A 41 -10.092 -6.931 -1.301 1.00 1.04 C ATOM 603 O ASP A 41 -9.988 -7.690 -0.340 1.00 1.93 O ATOM 604 CB ASP A 41 -11.830 -5.933 -2.862 1.00 1.00 C ATOM 605 CG ASP A 41 -11.955 -7.258 -3.562 1.00 1.48 C ATOM 606 OD1 ASP A 41 -12.944 -7.956 -3.299 1.00 2.00 O ATOM 607 OD2 ASP A 41 -11.044 -7.639 -4.328 1.00 2.20 O ATOM 0 H ASP A 41 -10.708 -4.057 -1.864 1.00 0.68 H new ATOM 0 HA ASP A 41 -12.062 -6.379 -0.750 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -12.810 -5.456 -2.847 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -11.173 -5.292 -3.450 1.00 1.00 H new ATOM 612 N SER A 42 -9.173 -6.789 -2.228 1.00 0.72 N ATOM 613 CA SER A 42 -7.936 -7.558 -2.318 1.00 0.68 C ATOM 614 C SER A 42 -7.307 -7.205 -3.643 1.00 0.54 C ATOM 615 O SER A 42 -6.102 -6.965 -3.739 1.00 0.51 O ATOM 616 CB SER A 42 -8.204 -9.065 -2.239 1.00 0.82 C ATOM 617 OG SER A 42 -9.211 -9.432 -3.226 1.00 0.86 O ATOM 0 H SER A 42 -9.264 -6.104 -2.979 1.00 0.72 H new ATOM 0 HA SER A 42 -7.276 -7.316 -1.485 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.283 -9.619 -2.420 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.545 -9.333 -1.239 1.00 0.82 H new ATOM 0 HG SER A 42 -9.828 -8.682 -3.358 1.00 0.86 H new ATOM 622 N LEU A 43 -8.163 -7.101 -4.665 1.00 0.52 N ATOM 623 CA LEU A 43 -7.748 -6.646 -5.991 1.00 0.48 C ATOM 624 C LEU A 43 -7.178 -5.238 -5.839 1.00 0.39 C ATOM 625 O LEU A 43 -6.161 -4.890 -6.421 1.00 0.37 O ATOM 626 CB LEU A 43 -8.970 -6.655 -6.948 1.00 0.64 C ATOM 627 CG LEU A 43 -8.740 -6.420 -8.469 1.00 0.83 C ATOM 628 CD1 LEU A 43 -10.020 -6.725 -9.217 1.00 1.64 C ATOM 629 CD2 LEU A 43 -8.313 -4.981 -8.787 1.00 1.57 C ATOM 0 H LEU A 43 -9.155 -7.328 -4.595 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.989 -7.304 -6.415 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.469 -7.618 -6.836 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.667 -5.893 -6.599 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.932 -7.082 -8.781 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -9.866 -6.562 -10.284 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -10.303 -7.764 -9.046 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -10.814 -6.069 -8.861 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -8.167 -4.874 -9.862 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -9.088 -4.290 -8.456 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -7.381 -4.755 -8.270 1.00 1.57 H new ATOM 641 N ALA A 44 -7.832 -4.453 -5.018 1.00 0.41 N ATOM 642 CA ALA A 44 -7.390 -3.112 -4.738 1.00 0.39 C ATOM 643 C ALA A 44 -6.008 -3.105 -4.068 1.00 0.34 C ATOM 644 O ALA A 44 -5.184 -2.280 -4.399 1.00 0.35 O ATOM 645 CB ALA A 44 -8.414 -2.387 -3.899 1.00 0.49 C ATOM 0 H ALA A 44 -8.683 -4.726 -4.527 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.288 -2.582 -5.685 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.066 -1.374 -3.695 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.361 -2.344 -4.437 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.555 -2.918 -2.958 1.00 0.49 H new ATOM 651 N LEU A 45 -5.755 -4.073 -3.172 1.00 0.37 N ATOM 652 CA LEU A 45 -4.468 -4.159 -2.454 1.00 0.42 C ATOM 653 C LEU A 45 -3.317 -4.405 -3.392 1.00 0.39 C ATOM 654 O LEU A 45 -2.307 -3.692 -3.367 1.00 0.43 O ATOM 655 CB LEU A 45 -4.476 -5.254 -1.386 1.00 0.54 C ATOM 656 CG LEU A 45 -4.696 -4.814 0.049 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.630 -6.009 0.966 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.622 -3.847 0.447 1.00 0.94 C ATOM 0 H LEU A 45 -6.421 -4.806 -2.927 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.336 -3.192 -1.969 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -5.254 -5.973 -1.643 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -3.524 -5.783 -1.436 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.675 -4.341 0.127 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.789 -5.687 1.995 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -5.403 -6.725 0.687 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -3.651 -6.480 0.880 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.781 -3.531 1.478 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.648 -4.329 0.361 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.655 -2.977 -0.208 1.00 0.94 H new ATOM 670 N MET A 46 -3.466 -5.415 -4.210 1.00 0.36 N ATOM 671 CA MET A 46 -2.428 -5.749 -5.191 1.00 0.41 C ATOM 672 C MET A 46 -2.214 -4.610 -6.176 1.00 0.39 C ATOM 673 O MET A 46 -1.105 -4.390 -6.632 1.00 0.49 O ATOM 674 CB MET A 46 -2.733 -7.029 -5.961 1.00 0.43 C ATOM 675 CG MET A 46 -4.080 -7.028 -6.611 1.00 0.34 C ATOM 676 SD MET A 46 -4.085 -7.760 -8.259 1.00 0.73 S ATOM 677 CE MET A 46 -3.018 -6.616 -9.144 1.00 1.38 C ATOM 0 H MET A 46 -4.283 -6.025 -4.228 1.00 0.36 H new ATOM 0 HA MET A 46 -1.516 -5.912 -4.616 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.970 -7.174 -6.725 1.00 0.43 H new ATOM 0 HB3 MET A 46 -2.668 -7.878 -5.280 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.780 -7.573 -5.978 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.442 -6.002 -6.677 1.00 0.34 H new ATOM 0 HE1 MET A 46 -3.281 -6.617 -10.202 1.00 1.38 H new ATOM 0 HE2 MET A 46 -3.146 -5.612 -8.739 1.00 1.38 H new ATOM 0 HE3 MET A 46 -1.979 -6.924 -9.028 1.00 1.38 H new ATOM 687 N GLU A 47 -3.284 -3.890 -6.487 1.00 0.31 N ATOM 688 CA GLU A 47 -3.225 -2.763 -7.395 1.00 0.37 C ATOM 689 C GLU A 47 -2.289 -1.686 -6.807 1.00 0.34 C ATOM 690 O GLU A 47 -1.445 -1.125 -7.521 1.00 0.38 O ATOM 691 CB GLU A 47 -4.646 -2.228 -7.617 1.00 0.44 C ATOM 692 CG GLU A 47 -4.774 -1.079 -8.598 1.00 0.62 C ATOM 693 CD GLU A 47 -4.360 -1.427 -9.999 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.194 -1.953 -10.753 1.00 1.45 O ATOM 695 OE2 GLU A 47 -3.208 -1.154 -10.380 1.00 1.76 O ATOM 0 H GLU A 47 -4.215 -4.075 -6.114 1.00 0.31 H new ATOM 0 HA GLU A 47 -2.821 -3.064 -8.362 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -5.273 -3.049 -7.965 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -5.047 -1.906 -6.656 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -5.809 -0.737 -8.610 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -4.167 -0.245 -8.247 1.00 0.62 H new ATOM 702 N THR A 48 -2.423 -1.448 -5.504 1.00 0.32 N ATOM 703 CA THR A 48 -1.568 -0.531 -4.774 1.00 0.33 C ATOM 704 C THR A 48 -0.113 -1.043 -4.826 1.00 0.32 C ATOM 705 O THR A 48 0.797 -0.354 -5.327 1.00 0.35 O ATOM 706 CB THR A 48 -1.998 -0.508 -3.286 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.410 -0.354 -3.183 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.319 0.635 -2.546 1.00 0.41 C ATOM 0 H THR A 48 -3.136 -1.893 -4.926 1.00 0.32 H new ATOM 0 HA THR A 48 -1.647 0.462 -5.217 1.00 0.33 H new ATOM 0 HB THR A 48 -1.698 -1.454 -2.836 1.00 0.38 H new ATOM 0 HG1 THR A 48 -3.726 0.248 -3.889 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.635 0.632 -1.503 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.237 0.510 -2.597 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.597 1.583 -3.007 1.00 0.41 H new ATOM 716 N ALA A 49 0.072 -2.262 -4.320 1.00 0.32 N ATOM 717 CA ALA A 49 1.378 -2.886 -4.176 1.00 0.33 C ATOM 718 C ALA A 49 2.146 -2.944 -5.485 1.00 0.30 C ATOM 719 O ALA A 49 3.186 -2.306 -5.600 1.00 0.29 O ATOM 720 CB ALA A 49 1.240 -4.276 -3.575 1.00 0.40 C ATOM 0 H ALA A 49 -0.696 -2.849 -3.995 1.00 0.32 H new ATOM 0 HA ALA A 49 1.957 -2.259 -3.498 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.227 -4.728 -3.474 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.772 -4.203 -2.593 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.622 -4.894 -4.226 1.00 0.40 H new ATOM 726 N ALA A 50 1.591 -3.642 -6.487 1.00 0.31 N ATOM 727 CA ALA A 50 2.256 -3.868 -7.791 1.00 0.35 C ATOM 728 C ALA A 50 2.721 -2.575 -8.426 1.00 0.33 C ATOM 729 O ALA A 50 3.799 -2.515 -9.027 1.00 0.37 O ATOM 730 CB ALA A 50 1.326 -4.605 -8.746 1.00 0.44 C ATOM 0 H ALA A 50 0.667 -4.069 -6.422 1.00 0.31 H new ATOM 0 HA ALA A 50 3.137 -4.480 -7.597 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.832 -4.762 -9.698 1.00 0.44 H new ATOM 0 HB2 ALA A 50 1.054 -5.569 -8.317 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.426 -4.012 -8.907 1.00 0.44 H new ATOM 736 N ARG A 51 1.926 -1.538 -8.241 1.00 0.31 N ATOM 737 CA ARG A 51 2.215 -0.239 -8.787 1.00 0.36 C ATOM 738 C ARG A 51 3.501 0.304 -8.179 1.00 0.30 C ATOM 739 O ARG A 51 4.451 0.648 -8.894 1.00 0.34 O ATOM 740 CB ARG A 51 1.057 0.713 -8.485 1.00 0.46 C ATOM 741 CG ARG A 51 1.278 2.113 -8.990 1.00 0.91 C ATOM 742 CD ARG A 51 0.117 3.016 -8.663 1.00 1.03 C ATOM 743 NE ARG A 51 0.421 4.401 -9.008 1.00 1.65 N ATOM 744 CZ ARG A 51 -0.287 5.462 -8.601 1.00 2.23 C ATOM 745 NH1 ARG A 51 -1.490 5.308 -8.066 1.00 2.58 N ATOM 746 NH2 ARG A 51 0.179 6.685 -8.801 1.00 3.05 N ATOM 0 H ARG A 51 1.060 -1.580 -7.704 1.00 0.31 H new ATOM 0 HA ARG A 51 2.341 -0.323 -9.866 1.00 0.36 H new ATOM 0 HB2 ARG A 51 0.145 0.315 -8.931 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.897 0.746 -7.407 1.00 0.46 H new ATOM 0 HG2 ARG A 51 2.189 2.519 -8.550 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.428 2.091 -10.069 1.00 0.91 H new ATOM 0 HD2 ARG A 51 -0.769 2.688 -9.207 1.00 1.03 H new ATOM 0 HD3 ARG A 51 -0.117 2.945 -7.601 1.00 1.03 H new ATOM 0 HE ARG A 51 1.232 4.573 -9.602 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.886 4.374 -7.961 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -2.020 6.124 -7.760 1.00 2.58 H new ATOM 0 HH21 ARG A 51 1.077 6.819 -9.265 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -0.360 7.493 -8.491 1.00 3.05 H new ATOM 760 N LEU A 52 3.531 0.343 -6.863 1.00 0.25 N ATOM 761 CA LEU A 52 4.663 0.865 -6.129 1.00 0.24 C ATOM 762 C LEU A 52 5.891 -0.030 -6.278 1.00 0.22 C ATOM 763 O LEU A 52 7.009 0.473 -6.488 1.00 0.26 O ATOM 764 CB LEU A 52 4.294 1.072 -4.656 1.00 0.28 C ATOM 765 CG LEU A 52 3.145 2.062 -4.399 1.00 0.35 C ATOM 766 CD1 LEU A 52 2.829 2.152 -2.920 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.486 3.442 -4.953 1.00 0.41 C ATOM 0 H LEU A 52 2.769 0.012 -6.272 1.00 0.25 H new ATOM 0 HA LEU A 52 4.924 1.834 -6.554 1.00 0.24 H new ATOM 0 HB2 LEU A 52 4.023 0.107 -4.227 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.178 1.421 -4.123 1.00 0.28 H new ATOM 0 HG LEU A 52 2.261 1.690 -4.917 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.013 2.858 -2.765 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.534 1.170 -2.551 1.00 0.43 H new ATOM 0 HD13 LEU A 52 3.712 2.493 -2.379 1.00 0.43 H new ATOM 0 HD21 LEU A 52 2.659 4.126 -4.760 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.387 3.816 -4.468 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.655 3.371 -6.027 1.00 0.41 H new ATOM 779 N GLU A 53 5.671 -1.344 -6.216 1.00 0.20 N ATOM 780 CA GLU A 53 6.738 -2.333 -6.313 1.00 0.25 C ATOM 781 C GLU A 53 7.533 -2.170 -7.584 1.00 0.29 C ATOM 782 O GLU A 53 8.737 -1.890 -7.551 1.00 0.32 O ATOM 783 CB GLU A 53 6.187 -3.754 -6.311 1.00 0.28 C ATOM 784 CG GLU A 53 5.525 -4.213 -5.045 1.00 0.30 C ATOM 785 CD GLU A 53 5.020 -5.619 -5.200 1.00 0.36 C ATOM 786 OE1 GLU A 53 5.846 -6.541 -5.338 1.00 0.50 O ATOM 787 OE2 GLU A 53 3.804 -5.831 -5.244 1.00 0.55 O ATOM 0 H GLU A 53 4.743 -1.751 -6.097 1.00 0.20 H new ATOM 0 HA GLU A 53 7.374 -2.169 -5.443 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.466 -3.842 -7.124 1.00 0.28 H new ATOM 0 HB3 GLU A 53 7.006 -4.438 -6.535 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.233 -4.163 -4.218 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.698 -3.548 -4.797 1.00 0.30 H new ATOM 794 N SER A 54 6.856 -2.326 -8.691 1.00 0.35 N ATOM 795 CA SER A 54 7.482 -2.285 -9.976 1.00 0.46 C ATOM 796 C SER A 54 8.019 -0.889 -10.329 1.00 0.42 C ATOM 797 O SER A 54 9.034 -0.768 -11.024 1.00 0.46 O ATOM 798 CB SER A 54 6.520 -2.833 -11.010 1.00 0.61 C ATOM 799 OG SER A 54 6.087 -4.142 -10.614 1.00 1.51 O ATOM 0 H SER A 54 5.849 -2.486 -8.721 1.00 0.35 H new ATOM 0 HA SER A 54 8.368 -2.919 -9.959 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.661 -2.169 -11.111 1.00 0.61 H new ATOM 0 HB3 SER A 54 7.005 -2.878 -11.985 1.00 0.61 H new ATOM 0 HG SER A 54 5.280 -4.067 -10.063 1.00 1.51 H new ATOM 805 N ARG A 55 7.378 0.165 -9.818 1.00 0.40 N ATOM 806 CA ARG A 55 7.842 1.517 -10.100 1.00 0.45 C ATOM 807 C ARG A 55 9.221 1.784 -9.485 1.00 0.43 C ATOM 808 O ARG A 55 10.105 2.344 -10.139 1.00 0.49 O ATOM 809 CB ARG A 55 6.836 2.602 -9.651 1.00 0.54 C ATOM 810 CG ARG A 55 7.329 4.017 -9.937 1.00 0.70 C ATOM 811 CD ARG A 55 6.343 5.101 -9.535 1.00 1.09 C ATOM 812 NE ARG A 55 6.938 6.428 -9.742 1.00 1.64 N ATOM 813 CZ ARG A 55 6.421 7.602 -9.348 1.00 2.34 C ATOM 814 NH1 ARG A 55 5.157 7.688 -8.949 1.00 2.65 N ATOM 815 NH2 ARG A 55 7.158 8.696 -9.446 1.00 3.15 N ATOM 0 H ARG A 55 6.554 0.108 -9.220 1.00 0.40 H new ATOM 0 HA ARG A 55 7.927 1.581 -11.185 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.885 2.443 -10.160 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.647 2.497 -8.583 1.00 0.54 H new ATOM 0 HG2 ARG A 55 8.268 4.179 -9.408 1.00 0.70 H new ATOM 0 HG3 ARG A 55 7.543 4.109 -11.002 1.00 0.70 H new ATOM 0 HD2 ARG A 55 5.429 5.008 -10.122 1.00 1.09 H new ATOM 0 HD3 ARG A 55 6.063 4.979 -8.489 1.00 1.09 H new ATOM 0 HE ARG A 55 7.831 6.460 -10.233 1.00 1.64 H new ATOM 0 HH11 ARG A 55 4.567 6.856 -8.940 1.00 2.65 H new ATOM 0 HH12 ARG A 55 4.776 8.586 -8.652 1.00 2.65 H new ATOM 0 HH21 ARG A 55 8.106 8.640 -9.817 1.00 3.15 H new ATOM 0 HH22 ARG A 55 6.778 9.595 -9.150 1.00 3.15 H new ATOM 829 N TYR A 56 9.421 1.362 -8.256 1.00 0.40 N ATOM 830 CA TYR A 56 10.673 1.664 -7.579 1.00 0.48 C ATOM 831 C TYR A 56 11.672 0.516 -7.660 1.00 0.49 C ATOM 832 O TYR A 56 12.868 0.694 -7.395 1.00 0.63 O ATOM 833 CB TYR A 56 10.417 2.100 -6.143 1.00 0.57 C ATOM 834 CG TYR A 56 9.517 3.315 -6.060 1.00 0.62 C ATOM 835 CD1 TYR A 56 9.936 4.548 -6.538 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.253 3.229 -5.489 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.124 5.656 -6.451 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.435 4.333 -5.395 1.00 0.69 C ATOM 839 CZ TYR A 56 7.862 5.539 -5.942 1.00 0.87 C ATOM 840 OH TYR A 56 7.066 6.655 -5.786 1.00 1.01 O ATOM 0 H TYR A 56 8.752 0.820 -7.710 1.00 0.40 H new ATOM 0 HA TYR A 56 11.135 2.499 -8.105 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.963 1.277 -5.592 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.368 2.322 -5.659 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.915 4.640 -6.985 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.906 2.279 -5.112 1.00 0.58 H new ATOM 0 HE1 TYR A 56 9.485 6.618 -6.785 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.476 4.264 -4.904 1.00 0.69 H new ATOM 0 HH TYR A 56 6.200 6.389 -5.412 1.00 1.01 H new ATOM 850 N GLY A 57 11.195 -0.645 -8.039 1.00 0.42 N ATOM 851 CA GLY A 57 12.070 -1.778 -8.229 1.00 0.47 C ATOM 852 C GLY A 57 12.221 -2.618 -6.986 1.00 0.48 C ATOM 853 O GLY A 57 13.346 -2.879 -6.538 1.00 0.64 O ATOM 0 H GLY A 57 10.209 -0.831 -8.222 1.00 0.42 H new ATOM 0 HA2 GLY A 57 11.682 -2.399 -9.036 1.00 0.47 H new ATOM 0 HA3 GLY A 57 13.052 -1.424 -8.543 1.00 0.47 H new ATOM 857 N VAL A 58 11.099 -3.025 -6.416 1.00 0.37 N ATOM 858 CA VAL A 58 11.083 -3.882 -5.236 1.00 0.39 C ATOM 859 C VAL A 58 10.133 -5.061 -5.451 1.00 0.37 C ATOM 860 O VAL A 58 9.502 -5.163 -6.518 1.00 0.39 O ATOM 861 CB VAL A 58 10.749 -3.134 -3.903 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.792 -2.083 -3.597 1.00 0.61 C ATOM 863 CG2 VAL A 58 9.367 -2.507 -3.938 1.00 0.50 C ATOM 0 H VAL A 58 10.171 -2.772 -6.756 1.00 0.37 H new ATOM 0 HA VAL A 58 12.103 -4.247 -5.115 1.00 0.39 H new ATOM 0 HB VAL A 58 10.757 -3.879 -3.108 1.00 0.47 H new ATOM 0 HG11 VAL A 58 11.537 -1.577 -2.666 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.768 -2.558 -3.497 1.00 0.61 H new ATOM 0 HG13 VAL A 58 11.824 -1.355 -4.408 1.00 0.61 H new ATOM 0 HG21 VAL A 58 9.175 -1.998 -2.994 1.00 0.50 H new ATOM 0 HG22 VAL A 58 9.314 -1.788 -4.755 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.618 -3.285 -4.090 1.00 0.50 H new ATOM 873 N SER A 59 10.036 -5.949 -4.480 1.00 0.42 N ATOM 874 CA SER A 59 9.195 -7.127 -4.600 1.00 0.50 C ATOM 875 C SER A 59 8.493 -7.439 -3.274 1.00 0.48 C ATOM 876 O SER A 59 9.140 -7.582 -2.239 1.00 0.61 O ATOM 877 CB SER A 59 10.064 -8.321 -4.990 1.00 0.68 C ATOM 878 OG SER A 59 10.885 -8.012 -6.112 1.00 1.55 O ATOM 0 H SER A 59 10.533 -5.877 -3.592 1.00 0.42 H new ATOM 0 HA SER A 59 8.438 -6.936 -5.360 1.00 0.50 H new ATOM 0 HB2 SER A 59 10.690 -8.610 -4.146 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.429 -9.176 -5.224 1.00 0.68 H new ATOM 0 HG SER A 59 11.433 -8.792 -6.341 1.00 1.55 H new ATOM 884 N ILE A 60 7.198 -7.497 -3.301 1.00 0.42 N ATOM 885 CA ILE A 60 6.416 -7.891 -2.159 1.00 0.43 C ATOM 886 C ILE A 60 5.821 -9.267 -2.434 1.00 0.48 C ATOM 887 O ILE A 60 5.144 -9.452 -3.445 1.00 0.51 O ATOM 888 CB ILE A 60 5.267 -6.881 -1.869 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.836 -5.491 -1.547 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.375 -7.377 -0.728 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.778 -4.430 -1.319 1.00 0.50 C ATOM 0 H ILE A 60 6.642 -7.270 -4.125 1.00 0.42 H new ATOM 0 HA ILE A 60 7.066 -7.913 -1.284 1.00 0.43 H new ATOM 0 HB ILE A 60 4.653 -6.802 -2.766 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.462 -5.563 -0.657 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.482 -5.175 -2.366 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.581 -6.653 -0.546 1.00 0.44 H new ATOM 0 HG22 ILE A 60 3.936 -8.337 -1.000 1.00 0.44 H new ATOM 0 HG23 ILE A 60 4.972 -7.495 0.176 1.00 0.44 H new ATOM 0 HD11 ILE A 60 5.260 -3.478 -1.097 1.00 0.50 H new ATOM 0 HD12 ILE A 60 4.167 -4.327 -2.215 1.00 0.50 H new ATOM 0 HD13 ILE A 60 4.146 -4.721 -0.480 1.00 0.50 H new ATOM 903 N PRO A 61 6.111 -10.266 -1.594 1.00 0.55 N ATOM 904 CA PRO A 61 5.513 -11.604 -1.720 1.00 0.61 C ATOM 905 C PRO A 61 3.982 -11.537 -1.684 1.00 0.52 C ATOM 906 O PRO A 61 3.404 -10.699 -0.964 1.00 0.43 O ATOM 907 CB PRO A 61 6.027 -12.328 -0.478 1.00 0.69 C ATOM 908 CG PRO A 61 7.311 -11.647 -0.170 1.00 0.75 C ATOM 909 CD PRO A 61 7.077 -10.202 -0.483 1.00 0.63 C ATOM 0 HA PRO A 61 5.773 -12.092 -2.659 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.324 -12.247 0.351 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.175 -13.391 -0.668 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.587 -11.783 0.876 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.125 -12.053 -0.770 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.674 -9.662 0.374 1.00 0.63 H new ATOM 0 HD3 PRO A 61 7.997 -9.696 -0.775 1.00 0.63 H new ATOM 917 N ASP A 62 3.337 -12.417 -2.440 1.00 0.58 N ATOM 918 CA ASP A 62 1.861 -12.454 -2.553 1.00 0.57 C ATOM 919 C ASP A 62 1.197 -12.565 -1.203 1.00 0.48 C ATOM 920 O ASP A 62 0.248 -11.845 -0.909 1.00 0.49 O ATOM 921 CB ASP A 62 1.364 -13.616 -3.433 1.00 0.74 C ATOM 922 CG ASP A 62 1.666 -13.472 -4.904 1.00 1.16 C ATOM 923 OD1 ASP A 62 2.733 -13.944 -5.358 1.00 1.38 O ATOM 924 OD2 ASP A 62 0.821 -12.942 -5.649 1.00 1.91 O ATOM 0 H ASP A 62 3.810 -13.129 -2.996 1.00 0.58 H new ATOM 0 HA ASP A 62 1.586 -11.510 -3.023 1.00 0.57 H new ATOM 0 HB2 ASP A 62 1.812 -14.542 -3.074 1.00 0.74 H new ATOM 0 HB3 ASP A 62 0.286 -13.714 -3.306 1.00 0.74 H new ATOM 929 N ASP A 63 1.730 -13.426 -0.357 1.00 0.51 N ATOM 930 CA ASP A 63 1.143 -13.638 0.967 1.00 0.55 C ATOM 931 C ASP A 63 1.430 -12.460 1.873 1.00 0.45 C ATOM 932 O ASP A 63 0.669 -12.180 2.779 1.00 0.48 O ATOM 933 CB ASP A 63 1.631 -14.945 1.640 1.00 0.80 C ATOM 934 CG ASP A 63 3.095 -14.933 2.044 1.00 1.25 C ATOM 935 OD1 ASP A 63 3.424 -14.438 3.144 1.00 1.88 O ATOM 936 OD2 ASP A 63 3.933 -15.437 1.278 1.00 1.94 O ATOM 0 H ASP A 63 2.559 -13.988 -0.553 1.00 0.51 H new ATOM 0 HA ASP A 63 0.068 -13.732 0.814 1.00 0.55 H new ATOM 0 HB2 ASP A 63 1.024 -15.132 2.526 1.00 0.80 H new ATOM 0 HB3 ASP A 63 1.462 -15.777 0.956 1.00 0.80 H new ATOM 941 N VAL A 64 2.488 -11.726 1.580 1.00 0.43 N ATOM 942 CA VAL A 64 2.865 -10.602 2.402 1.00 0.43 C ATOM 943 C VAL A 64 1.976 -9.395 2.103 1.00 0.34 C ATOM 944 O VAL A 64 1.621 -8.653 3.009 1.00 0.37 O ATOM 945 CB VAL A 64 4.383 -10.260 2.303 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.732 -9.034 3.133 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.202 -11.436 2.794 1.00 0.70 C ATOM 0 H VAL A 64 3.098 -11.892 0.779 1.00 0.43 H new ATOM 0 HA VAL A 64 2.701 -10.890 3.440 1.00 0.43 H new ATOM 0 HB VAL A 64 4.611 -10.048 1.258 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.798 -8.824 3.041 1.00 0.66 H new ATOM 0 HG12 VAL A 64 4.161 -8.177 2.775 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.488 -9.221 4.179 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.263 -11.195 2.724 1.00 0.70 H new ATOM 0 HG22 VAL A 64 4.946 -11.650 3.832 1.00 0.70 H new ATOM 0 HG23 VAL A 64 4.987 -12.311 2.180 1.00 0.70 H new ATOM 957 N ALA A 65 1.569 -9.232 0.842 1.00 0.32 N ATOM 958 CA ALA A 65 0.603 -8.176 0.482 1.00 0.34 C ATOM 959 C ALA A 65 -0.761 -8.450 1.130 1.00 0.37 C ATOM 960 O ALA A 65 -1.602 -7.578 1.218 1.00 0.46 O ATOM 961 CB ALA A 65 0.470 -8.003 -1.028 1.00 0.42 C ATOM 0 H ALA A 65 1.884 -9.805 0.059 1.00 0.32 H new ATOM 0 HA ALA A 65 0.990 -7.235 0.872 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.252 -7.215 -1.242 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.438 -7.733 -1.450 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.129 -8.938 -1.473 1.00 0.42 H new ATOM 967 N GLY A 66 -0.962 -9.681 1.567 1.00 0.39 N ATOM 968 CA GLY A 66 -2.161 -10.026 2.287 1.00 0.50 C ATOM 969 C GLY A 66 -1.929 -10.006 3.782 1.00 0.52 C ATOM 970 O GLY A 66 -2.872 -9.965 4.573 1.00 0.73 O ATOM 0 H GLY A 66 -0.308 -10.452 1.433 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -2.956 -9.326 2.031 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.498 -11.017 1.982 1.00 0.50 H new ATOM 974 N ARG A 67 -0.670 -10.002 4.165 1.00 0.42 N ATOM 975 CA ARG A 67 -0.269 -10.013 5.560 1.00 0.50 C ATOM 976 C ARG A 67 -0.030 -8.617 6.082 1.00 0.49 C ATOM 977 O ARG A 67 0.306 -8.430 7.245 1.00 0.60 O ATOM 978 CB ARG A 67 0.957 -10.908 5.787 1.00 0.56 C ATOM 979 CG ARG A 67 0.616 -12.377 5.952 1.00 1.09 C ATOM 980 CD ARG A 67 1.862 -13.235 6.055 1.00 1.24 C ATOM 981 NE ARG A 67 1.560 -14.545 6.635 1.00 2.11 N ATOM 982 CZ ARG A 67 2.232 -15.685 6.420 1.00 2.57 C ATOM 983 NH1 ARG A 67 3.072 -15.805 5.394 1.00 2.21 N ATOM 984 NH2 ARG A 67 1.985 -16.730 7.195 1.00 3.62 N ATOM 0 H ARG A 67 0.113 -9.991 3.512 1.00 0.42 H new ATOM 0 HA ARG A 67 -1.097 -10.438 6.128 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.640 -10.795 4.945 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.487 -10.565 6.675 1.00 0.56 H new ATOM 0 HG2 ARG A 67 0.007 -12.511 6.846 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.015 -12.708 5.105 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.299 -13.365 5.065 1.00 1.24 H new ATOM 0 HD3 ARG A 67 2.606 -12.727 6.668 1.00 1.24 H new ATOM 0 HE ARG A 67 0.759 -14.595 7.265 1.00 2.11 H new ATOM 0 HH11 ARG A 67 3.213 -15.022 4.756 1.00 2.21 H new ATOM 0 HH12 ARG A 67 3.575 -16.680 5.246 1.00 2.21 H new ATOM 0 HH21 ARG A 67 1.293 -16.659 7.941 1.00 3.62 H new ATOM 0 HH22 ARG A 67 2.487 -17.605 7.046 1.00 3.62 H new ATOM 998 N VAL A 68 -0.212 -7.643 5.229 1.00 0.44 N ATOM 999 CA VAL A 68 -0.148 -6.274 5.655 1.00 0.44 C ATOM 1000 C VAL A 68 -1.472 -5.944 6.323 1.00 0.52 C ATOM 1001 O VAL A 68 -2.551 -6.111 5.741 1.00 0.94 O ATOM 1002 CB VAL A 68 0.173 -5.288 4.485 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.596 -5.489 4.003 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.787 -5.459 3.323 1.00 0.57 C ATOM 0 H VAL A 68 -0.405 -7.774 4.236 1.00 0.44 H new ATOM 0 HA VAL A 68 0.676 -6.151 6.357 1.00 0.44 H new ATOM 0 HB VAL A 68 0.057 -4.276 4.873 1.00 0.46 H new ATOM 0 HG11 VAL A 68 1.806 -4.796 3.188 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.288 -5.303 4.824 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.719 -6.513 3.649 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -0.529 -4.755 2.531 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.717 -6.477 2.940 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.805 -5.267 3.661 1.00 0.57 H new ATOM 1014 N ASP A 69 -1.398 -5.557 7.558 1.00 0.40 N ATOM 1015 CA ASP A 69 -2.591 -5.353 8.348 1.00 0.57 C ATOM 1016 C ASP A 69 -3.113 -3.952 8.136 1.00 0.40 C ATOM 1017 O ASP A 69 -4.195 -3.764 7.578 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.283 -5.601 9.823 1.00 0.94 C ATOM 1019 CG ASP A 69 -3.505 -5.578 10.706 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.321 -6.504 10.631 1.00 1.76 O ATOM 1021 OD2 ASP A 69 -3.694 -4.588 11.439 1.00 2.46 O ATOM 0 H ASP A 69 -0.524 -5.373 8.051 1.00 0.40 H new ATOM 0 HA ASP A 69 -3.360 -6.058 8.033 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -1.789 -6.567 9.925 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -1.579 -4.845 10.171 1.00 0.94 H new ATOM 1026 N THR A 70 -2.346 -2.987 8.520 1.00 0.35 N ATOM 1027 CA THR A 70 -2.708 -1.618 8.330 1.00 0.30 C ATOM 1028 C THR A 70 -1.976 -1.087 7.095 1.00 0.26 C ATOM 1029 O THR A 70 -0.981 -1.691 6.654 1.00 0.26 O ATOM 1030 CB THR A 70 -2.278 -0.800 9.565 1.00 0.44 C ATOM 1031 OG1 THR A 70 -0.867 -0.999 9.785 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.054 -1.240 10.802 1.00 0.52 C ATOM 0 H THR A 70 -1.445 -3.124 8.977 1.00 0.35 H new ATOM 0 HA THR A 70 -3.786 -1.532 8.195 1.00 0.30 H new ATOM 0 HB THR A 70 -2.488 0.254 9.385 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.582 -0.482 10.567 1.00 0.54 H new ATOM 0 HG21 THR A 70 -2.735 -0.650 11.661 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.121 -1.090 10.635 1.00 0.52 H new ATOM 0 HG23 THR A 70 -2.862 -2.295 10.995 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.458 -0.003 6.472 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.733 0.653 5.387 1.00 0.28 C ATOM 1042 C PRO A 71 -0.374 1.124 5.877 1.00 0.27 C ATOM 1043 O PRO A 71 0.595 1.133 5.129 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.623 1.835 5.021 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.975 1.399 5.438 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.764 0.622 6.701 1.00 0.33 C ATOM 0 HA PRO A 71 -1.542 -0.002 4.537 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -2.317 2.743 5.541 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.583 2.051 3.953 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.630 2.254 5.606 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.445 0.784 4.671 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.757 1.268 7.579 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.547 -0.120 6.857 1.00 0.33 H new ATOM 1054 N ARG A 72 -0.328 1.518 7.151 1.00 0.29 N ATOM 1055 CA ARG A 72 0.909 1.889 7.825 1.00 0.34 C ATOM 1056 C ARG A 72 1.929 0.723 7.713 1.00 0.32 C ATOM 1057 O ARG A 72 3.105 0.929 7.403 1.00 0.35 O ATOM 1058 CB ARG A 72 0.623 2.216 9.295 1.00 0.42 C ATOM 1059 CG ARG A 72 1.709 3.041 9.967 1.00 0.72 C ATOM 1060 CD ARG A 72 1.426 3.278 11.445 1.00 0.75 C ATOM 1061 NE ARG A 72 0.067 3.807 11.708 1.00 0.84 N ATOM 1062 CZ ARG A 72 -0.211 4.951 12.358 1.00 1.44 C ATOM 1063 NH1 ARG A 72 0.721 5.890 12.512 1.00 2.34 N ATOM 1064 NH2 ARG A 72 -1.437 5.160 12.836 1.00 1.57 N ATOM 0 H ARG A 72 -1.155 1.588 7.744 1.00 0.29 H new ATOM 0 HA ARG A 72 1.333 2.774 7.351 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -0.322 2.756 9.359 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.496 1.284 9.846 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.667 2.532 9.860 1.00 0.72 H new ATOM 0 HG3 ARG A 72 1.800 4.001 9.459 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.554 2.341 11.986 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.163 3.977 11.840 1.00 0.75 H new ATOM 0 HE ARG A 72 -0.723 3.258 11.368 1.00 0.84 H new ATOM 0 HH11 ARG A 72 1.658 5.746 12.135 1.00 2.34 H new ATOM 0 HH12 ARG A 72 0.498 6.754 13.007 1.00 2.34 H new ATOM 0 HH21 ARG A 72 -2.161 4.453 12.708 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -1.651 6.027 13.329 1.00 1.57 H new ATOM 1078 N GLU A 73 1.431 -0.498 7.933 1.00 0.30 N ATOM 1079 CA GLU A 73 2.217 -1.738 7.841 1.00 0.31 C ATOM 1080 C GLU A 73 2.703 -1.950 6.388 1.00 0.30 C ATOM 1081 O GLU A 73 3.857 -2.327 6.154 1.00 0.33 O ATOM 1082 CB GLU A 73 1.323 -2.919 8.278 1.00 0.36 C ATOM 1083 CG GLU A 73 1.984 -4.286 8.347 1.00 0.42 C ATOM 1084 CD GLU A 73 3.023 -4.381 9.429 1.00 1.08 C ATOM 1085 OE1 GLU A 73 2.668 -4.349 10.612 1.00 1.74 O ATOM 1086 OE2 GLU A 73 4.216 -4.489 9.113 1.00 1.68 O ATOM 0 H GLU A 73 0.455 -0.658 8.184 1.00 0.30 H new ATOM 0 HA GLU A 73 3.090 -1.674 8.490 1.00 0.31 H new ATOM 0 HB2 GLU A 73 0.913 -2.689 9.261 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.481 -2.982 7.588 1.00 0.36 H new ATOM 0 HG2 GLU A 73 1.220 -5.045 8.517 1.00 0.42 H new ATOM 0 HG3 GLU A 73 2.447 -4.509 7.386 1.00 0.42 H new ATOM 1093 N LEU A 74 1.823 -1.662 5.428 1.00 0.28 N ATOM 1094 CA LEU A 74 2.135 -1.817 3.999 1.00 0.31 C ATOM 1095 C LEU A 74 3.229 -0.789 3.638 1.00 0.31 C ATOM 1096 O LEU A 74 4.220 -1.115 2.979 1.00 0.34 O ATOM 1097 CB LEU A 74 0.851 -1.553 3.153 1.00 0.32 C ATOM 1098 CG LEU A 74 0.677 -2.297 1.787 1.00 0.35 C ATOM 1099 CD1 LEU A 74 -0.473 -1.701 0.995 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.947 -2.323 0.953 1.00 0.50 C ATOM 0 H LEU A 74 0.881 -1.317 5.612 1.00 0.28 H new ATOM 0 HA LEU A 74 2.486 -2.827 3.789 1.00 0.31 H new ATOM 0 HB2 LEU A 74 -0.009 -1.801 3.775 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.803 -0.483 2.953 1.00 0.32 H new ATOM 0 HG LEU A 74 0.446 -3.335 2.028 1.00 0.35 H new ATOM 0 HD11 LEU A 74 -0.577 -2.232 0.049 1.00 0.60 H new ATOM 0 HD12 LEU A 74 -1.396 -1.795 1.567 1.00 0.60 H new ATOM 0 HD13 LEU A 74 -0.273 -0.648 0.799 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.758 -2.853 0.019 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.259 -1.302 0.734 1.00 0.50 H new ATOM 0 HD23 LEU A 74 2.736 -2.833 1.507 1.00 0.50 H new ATOM 1112 N LEU A 75 3.039 0.443 4.102 1.00 0.32 N ATOM 1113 CA LEU A 75 3.988 1.532 3.896 1.00 0.34 C ATOM 1114 C LEU A 75 5.357 1.164 4.440 1.00 0.33 C ATOM 1115 O LEU A 75 6.360 1.297 3.745 1.00 0.31 O ATOM 1116 CB LEU A 75 3.498 2.812 4.579 1.00 0.38 C ATOM 1117 CG LEU A 75 4.374 4.058 4.390 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.450 4.444 2.924 1.00 0.52 C ATOM 1119 CD2 LEU A 75 3.845 5.214 5.220 1.00 0.52 C ATOM 0 H LEU A 75 2.214 0.716 4.636 1.00 0.32 H new ATOM 0 HA LEU A 75 4.066 1.706 2.823 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.498 3.037 4.209 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.406 2.617 5.647 1.00 0.38 H new ATOM 0 HG LEU A 75 5.381 3.822 4.733 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.076 5.330 2.813 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.881 3.621 2.353 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.448 4.659 2.552 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.479 6.088 5.073 1.00 0.52 H new ATOM 0 HD22 LEU A 75 2.827 5.448 4.910 1.00 0.52 H new ATOM 0 HD23 LEU A 75 3.849 4.937 6.274 1.00 0.52 H new ATOM 1131 N ASP A 76 5.375 0.669 5.675 1.00 0.35 N ATOM 1132 CA ASP A 76 6.614 0.271 6.366 1.00 0.37 C ATOM 1133 C ASP A 76 7.337 -0.810 5.588 1.00 0.34 C ATOM 1134 O ASP A 76 8.574 -0.805 5.472 1.00 0.35 O ATOM 1135 CB ASP A 76 6.305 -0.237 7.782 1.00 0.45 C ATOM 1136 CG ASP A 76 7.553 -0.611 8.564 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.141 0.271 9.225 1.00 0.69 O ATOM 1138 OD2 ASP A 76 7.962 -1.788 8.539 1.00 0.59 O ATOM 0 H ASP A 76 4.532 0.529 6.232 1.00 0.35 H new ATOM 0 HA ASP A 76 7.255 1.150 6.435 1.00 0.37 H new ATOM 0 HB2 ASP A 76 5.758 0.533 8.327 1.00 0.45 H new ATOM 0 HB3 ASP A 76 5.650 -1.106 7.716 1.00 0.45 H new ATOM 1143 N LEU A 77 6.560 -1.714 5.026 1.00 0.34 N ATOM 1144 CA LEU A 77 7.078 -2.812 4.232 1.00 0.35 C ATOM 1145 C LEU A 77 7.796 -2.277 3.016 1.00 0.34 C ATOM 1146 O LEU A 77 8.952 -2.640 2.753 1.00 0.43 O ATOM 1147 CB LEU A 77 5.932 -3.722 3.788 1.00 0.38 C ATOM 1148 CG LEU A 77 6.300 -4.897 2.887 1.00 0.43 C ATOM 1149 CD1 LEU A 77 7.218 -5.878 3.602 1.00 1.15 C ATOM 1150 CD2 LEU A 77 5.046 -5.581 2.397 1.00 1.54 C ATOM 0 H LEU A 77 5.543 -1.708 5.108 1.00 0.34 H new ATOM 0 HA LEU A 77 7.778 -3.385 4.840 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.446 -4.117 4.680 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.195 -3.111 3.267 1.00 0.38 H new ATOM 0 HG LEU A 77 6.848 -4.514 2.026 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.461 -6.703 2.932 1.00 1.15 H new ATOM 0 HD12 LEU A 77 8.135 -5.369 3.898 1.00 1.15 H new ATOM 0 HD13 LEU A 77 6.716 -6.266 4.488 1.00 1.15 H new ATOM 0 HD21 LEU A 77 5.316 -6.419 1.754 1.00 1.54 H new ATOM 0 HD22 LEU A 77 4.474 -5.947 3.250 1.00 1.54 H new ATOM 0 HD23 LEU A 77 4.441 -4.871 1.833 1.00 1.54 H new ATOM 1162 N ILE A 78 7.141 -1.369 2.319 1.00 0.27 N ATOM 1163 CA ILE A 78 7.694 -0.815 1.117 1.00 0.26 C ATOM 1164 C ILE A 78 8.852 0.103 1.448 1.00 0.28 C ATOM 1165 O ILE A 78 9.860 0.045 0.806 1.00 0.33 O ATOM 1166 CB ILE A 78 6.626 -0.098 0.234 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.531 -1.103 -0.160 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.267 0.509 -1.019 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.476 -0.563 -1.103 1.00 0.29 C ATOM 0 H ILE A 78 6.223 -1.004 2.572 1.00 0.27 H new ATOM 0 HA ILE A 78 8.067 -1.645 0.517 1.00 0.26 H new ATOM 0 HB ILE A 78 6.183 0.715 0.810 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.003 -1.968 -0.625 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.040 -1.456 0.747 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.501 1.003 -1.617 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.023 1.237 -0.725 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.734 -0.281 -1.608 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.749 -1.345 -1.322 1.00 0.29 H new ATOM 0 HD12 ILE A 78 3.970 0.283 -0.637 1.00 0.29 H new ATOM 0 HD13 ILE A 78 4.949 -0.237 -2.030 1.00 0.29 H new ATOM 1181 N ASN A 79 8.730 0.886 2.516 1.00 0.28 N ATOM 1182 CA ASN A 79 9.805 1.813 2.926 1.00 0.32 C ATOM 1183 C ASN A 79 11.087 1.077 3.242 1.00 0.34 C ATOM 1184 O ASN A 79 12.174 1.539 2.892 1.00 0.37 O ATOM 1185 CB ASN A 79 9.414 2.677 4.129 1.00 0.37 C ATOM 1186 CG ASN A 79 8.629 3.936 3.792 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.766 4.946 4.463 1.00 1.24 O ATOM 1188 ND2 ASN A 79 7.799 3.897 2.781 1.00 0.69 N ATOM 0 H ASN A 79 7.906 0.905 3.117 1.00 0.28 H new ATOM 0 HA ASN A 79 9.966 2.469 2.071 1.00 0.32 H new ATOM 0 HB2 ASN A 79 8.822 2.071 4.815 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.321 2.965 4.660 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.250 4.722 2.540 1.00 0.69 H new ATOM 0 HD22 ASN A 79 7.701 3.041 2.234 1.00 0.69 H new ATOM 1195 N GLY A 80 10.963 -0.069 3.883 1.00 0.37 N ATOM 1196 CA GLY A 80 12.124 -0.886 4.173 1.00 0.43 C ATOM 1197 C GLY A 80 12.781 -1.380 2.902 1.00 0.42 C ATOM 1198 O GLY A 80 14.003 -1.344 2.766 1.00 0.50 O ATOM 0 H GLY A 80 10.077 -0.453 4.211 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.842 -0.308 4.755 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.828 -1.737 4.786 1.00 0.43 H new ATOM 1202 N ALA A 81 11.962 -1.775 1.952 1.00 0.38 N ATOM 1203 CA ALA A 81 12.435 -2.278 0.677 1.00 0.40 C ATOM 1204 C ALA A 81 12.978 -1.139 -0.192 1.00 0.37 C ATOM 1205 O ALA A 81 13.879 -1.337 -1.003 1.00 0.44 O ATOM 1206 CB ALA A 81 11.313 -3.014 -0.038 1.00 0.42 C ATOM 0 H ALA A 81 10.946 -1.757 2.040 1.00 0.38 H new ATOM 0 HA ALA A 81 13.252 -2.976 0.859 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.676 -3.389 -0.995 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.977 -3.850 0.576 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.480 -2.331 -0.208 1.00 0.42 H new ATOM 1212 N LEU A 82 12.452 0.068 0.023 1.00 0.35 N ATOM 1213 CA LEU A 82 12.844 1.264 -0.726 1.00 0.39 C ATOM 1214 C LEU A 82 14.277 1.661 -0.469 1.00 0.53 C ATOM 1215 O LEU A 82 14.859 2.428 -1.230 1.00 0.67 O ATOM 1216 CB LEU A 82 11.908 2.436 -0.448 1.00 0.39 C ATOM 1217 CG LEU A 82 10.486 2.300 -0.983 1.00 0.37 C ATOM 1218 CD1 LEU A 82 9.643 3.468 -0.546 1.00 0.49 C ATOM 1219 CD2 LEU A 82 10.485 2.186 -2.494 1.00 0.49 C ATOM 0 H LEU A 82 11.736 0.245 0.728 1.00 0.35 H new ATOM 0 HA LEU A 82 12.761 1.002 -1.781 1.00 0.39 H new ATOM 0 HB2 LEU A 82 11.856 2.585 0.630 1.00 0.39 H new ATOM 0 HB3 LEU A 82 12.350 3.337 -0.874 1.00 0.39 H new ATOM 0 HG LEU A 82 10.056 1.387 -0.571 1.00 0.37 H new ATOM 0 HD11 LEU A 82 8.632 3.354 -0.937 1.00 0.49 H new ATOM 0 HD12 LEU A 82 9.609 3.505 0.543 1.00 0.49 H new ATOM 0 HD13 LEU A 82 10.077 4.393 -0.927 1.00 0.49 H new ATOM 0 HD21 LEU A 82 9.460 2.090 -2.851 1.00 0.49 H new ATOM 0 HD22 LEU A 82 10.938 3.078 -2.926 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.057 1.308 -2.793 1.00 0.49 H new ATOM 1231 N ALA A 83 14.855 1.136 0.593 1.00 0.63 N ATOM 1232 CA ALA A 83 16.257 1.354 0.867 1.00 0.81 C ATOM 1233 C ALA A 83 17.089 0.713 -0.247 1.00 0.84 C ATOM 1234 O ALA A 83 18.135 1.233 -0.655 1.00 1.00 O ATOM 1235 CB ALA A 83 16.630 0.773 2.223 1.00 0.99 C ATOM 0 H ALA A 83 14.373 0.555 1.279 1.00 0.63 H new ATOM 0 HA ALA A 83 16.461 2.424 0.896 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.689 0.946 2.414 1.00 0.99 H new ATOM 0 HB2 ALA A 83 16.038 1.255 3.001 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.431 -0.299 2.227 1.00 0.99 H new ATOM 1241 N GLU A 84 16.555 -0.372 -0.782 1.00 0.79 N ATOM 1242 CA GLU A 84 17.187 -1.160 -1.816 1.00 0.94 C ATOM 1243 C GLU A 84 16.544 -0.837 -3.176 1.00 0.95 C ATOM 1244 O GLU A 84 16.741 -1.562 -4.164 1.00 1.34 O ATOM 1245 CB GLU A 84 16.976 -2.649 -1.498 1.00 1.11 C ATOM 1246 CG GLU A 84 17.482 -3.081 -0.124 1.00 1.64 C ATOM 1247 CD GLU A 84 18.979 -2.990 0.009 1.00 1.84 C ATOM 1248 OE1 GLU A 84 19.494 -1.883 0.255 1.00 2.18 O ATOM 1249 OE2 GLU A 84 19.675 -4.020 -0.113 1.00 2.22 O ATOM 0 H GLU A 84 15.645 -0.735 -0.498 1.00 0.79 H new ATOM 0 HA GLU A 84 18.252 -0.931 -1.857 1.00 0.94 H new ATOM 0 HB2 GLU A 84 15.912 -2.875 -1.567 1.00 1.11 H new ATOM 0 HB3 GLU A 84 17.478 -3.245 -2.260 1.00 1.11 H new ATOM 0 HG2 GLU A 84 17.017 -2.458 0.640 1.00 1.64 H new ATOM 0 HG3 GLU A 84 17.168 -4.107 0.066 1.00 1.64 H new