USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 68:sc= 1.94 USER MOD Set 1.2: A 40 TYR OH : rot 24:sc= 2.33 USER MOD Set 1.3: A 48 THR OG1 : rot -58:sc= 0.67 USER MOD Single : A 6 THR OG1 : rot 80:sc= 0.51 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 46:sc= 0.0411 USER MOD Single : A 42 SER OG : rot -65:sc= 0.592 USER MOD Single : A 46 MET CE :methyl -156:sc= 0 (180deg=-0.306) USER MOD Single : A 54 SER OG : rot 83:sc= 0.426 USER MOD Single : A 56 TYR OH : rot 16:sc= 0.561 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0479 USER MOD Single : A 79 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 14.166 -2.966 3.013 1.00 0.80 N ATOM 45 CA LEU A 4 13.271 -3.096 1.897 1.00 0.65 C ATOM 46 C LEU A 4 11.929 -3.670 2.340 1.00 0.68 C ATOM 47 O LEU A 4 11.864 -4.683 3.067 1.00 0.86 O ATOM 48 CB LEU A 4 13.891 -3.975 0.811 1.00 0.70 C ATOM 49 CG LEU A 4 13.152 -4.034 -0.517 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.251 -2.692 -1.235 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.701 -5.156 -1.379 1.00 1.01 C ATOM 0 HA LEU A 4 13.099 -2.102 1.485 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.904 -3.621 0.622 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.975 -4.990 1.200 1.00 0.70 H new ATOM 0 HG LEU A 4 12.099 -4.241 -0.326 1.00 0.69 H new ATOM 0 HD11 LEU A 4 12.718 -2.747 -2.184 1.00 0.70 H new ATOM 0 HD12 LEU A 4 12.807 -1.914 -0.614 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.299 -2.455 -1.420 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.162 -5.185 -2.326 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.760 -4.983 -1.570 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.576 -6.107 -0.861 1.00 1.01 H new ATOM 63 N LEU A 5 10.879 -3.022 1.917 1.00 0.60 N ATOM 64 CA LEU A 5 9.542 -3.422 2.251 1.00 0.64 C ATOM 65 C LEU A 5 9.110 -4.504 1.272 1.00 0.59 C ATOM 66 O LEU A 5 9.092 -4.276 0.055 1.00 0.61 O ATOM 67 CB LEU A 5 8.619 -2.179 2.157 1.00 0.69 C ATOM 68 CG LEU A 5 7.208 -2.223 2.802 1.00 0.90 C ATOM 69 CD1 LEU A 5 6.572 -0.866 2.699 1.00 1.61 C ATOM 70 CD2 LEU A 5 6.287 -3.244 2.165 1.00 1.54 C ATOM 0 H LEU A 5 10.929 -2.193 1.325 1.00 0.60 H new ATOM 0 HA LEU A 5 9.485 -3.821 3.264 1.00 0.64 H new ATOM 0 HB2 LEU A 5 9.155 -1.340 2.601 1.00 0.69 H new ATOM 0 HB3 LEU A 5 8.488 -1.949 1.100 1.00 0.69 H new ATOM 0 HG LEU A 5 7.348 -2.519 3.841 1.00 0.90 H new ATOM 0 HD11 LEU A 5 5.581 -0.894 3.151 1.00 1.61 H new ATOM 0 HD12 LEU A 5 7.189 -0.135 3.221 1.00 1.61 H new ATOM 0 HD13 LEU A 5 6.484 -0.584 1.650 1.00 1.61 H new ATOM 0 HD21 LEU A 5 5.318 -3.222 2.664 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.157 -3.008 1.109 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.723 -4.238 2.263 1.00 1.54 H new ATOM 82 N THR A 6 8.815 -5.665 1.796 1.00 0.61 N ATOM 83 CA THR A 6 8.330 -6.766 1.023 1.00 0.63 C ATOM 84 C THR A 6 6.810 -6.950 1.228 1.00 0.57 C ATOM 85 O THR A 6 6.244 -6.409 2.197 1.00 0.59 O ATOM 86 CB THR A 6 9.134 -8.043 1.360 1.00 0.79 C ATOM 87 OG1 THR A 6 9.415 -8.074 2.788 1.00 0.95 O ATOM 88 CG2 THR A 6 10.449 -8.066 0.587 1.00 0.97 C ATOM 0 H THR A 6 8.909 -5.870 2.791 1.00 0.61 H new ATOM 0 HA THR A 6 8.478 -6.558 -0.037 1.00 0.63 H new ATOM 0 HB THR A 6 8.543 -8.914 1.077 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.623 -8.391 3.270 1.00 0.95 H new ATOM 0 HG21 THR A 6 11.002 -8.972 0.836 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.242 -8.050 -0.483 1.00 0.97 H new ATOM 0 HG23 THR A 6 11.044 -7.193 0.855 1.00 0.97 H new ATOM 96 N THR A 7 6.164 -7.720 0.348 1.00 0.60 N ATOM 97 CA THR A 7 4.704 -7.920 0.368 1.00 0.59 C ATOM 98 C THR A 7 4.210 -8.467 1.733 1.00 0.53 C ATOM 99 O THR A 7 3.114 -8.123 2.208 1.00 0.56 O ATOM 100 CB THR A 7 4.285 -8.861 -0.782 1.00 0.69 C ATOM 101 OG1 THR A 7 4.854 -8.373 -2.010 1.00 0.90 O ATOM 102 CG2 THR A 7 2.770 -8.897 -0.936 1.00 0.81 C ATOM 0 H THR A 7 6.636 -8.225 -0.402 1.00 0.60 H new ATOM 0 HA THR A 7 4.232 -6.948 0.225 1.00 0.59 H new ATOM 0 HB THR A 7 4.641 -9.866 -0.554 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.596 -8.964 -2.748 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.503 -9.567 -1.753 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.319 -9.255 -0.011 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.403 -7.894 -1.155 1.00 0.81 H new ATOM 110 N ASP A 8 5.033 -9.286 2.355 1.00 0.54 N ATOM 111 CA ASP A 8 4.771 -9.821 3.701 1.00 0.54 C ATOM 112 C ASP A 8 4.493 -8.731 4.752 1.00 0.52 C ATOM 113 O ASP A 8 3.678 -8.939 5.657 1.00 0.54 O ATOM 114 CB ASP A 8 5.889 -10.770 4.174 1.00 0.63 C ATOM 115 CG ASP A 8 7.293 -10.245 3.918 1.00 1.48 C ATOM 116 OD1 ASP A 8 7.673 -9.229 4.555 1.00 1.98 O ATOM 117 OD2 ASP A 8 8.062 -10.852 3.156 1.00 2.26 O ATOM 0 H ASP A 8 5.911 -9.609 1.949 1.00 0.54 H new ATOM 0 HA ASP A 8 3.852 -10.400 3.605 1.00 0.54 H new ATOM 0 HB2 ASP A 8 5.769 -10.953 5.242 1.00 0.63 H new ATOM 0 HB3 ASP A 8 5.774 -11.730 3.671 1.00 0.63 H new ATOM 122 N ASP A 9 5.122 -7.569 4.630 1.00 0.57 N ATOM 123 CA ASP A 9 4.849 -6.468 5.570 1.00 0.64 C ATOM 124 C ASP A 9 3.638 -5.701 5.136 1.00 0.59 C ATOM 125 O ASP A 9 2.849 -5.234 5.964 1.00 0.63 O ATOM 126 CB ASP A 9 6.013 -5.508 5.706 1.00 0.79 C ATOM 127 CG ASP A 9 5.723 -4.397 6.715 1.00 1.60 C ATOM 128 OD1 ASP A 9 5.573 -4.678 7.932 1.00 1.70 O ATOM 129 OD2 ASP A 9 5.689 -3.217 6.324 1.00 2.47 O ATOM 0 H ASP A 9 5.812 -7.358 3.909 1.00 0.57 H new ATOM 0 HA ASP A 9 4.681 -6.930 6.543 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.902 -6.057 6.017 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.235 -5.067 4.734 1.00 0.79 H new ATOM 134 N LEU A 10 3.466 -5.583 3.834 1.00 0.54 N ATOM 135 CA LEU A 10 2.296 -4.901 3.294 1.00 0.54 C ATOM 136 C LEU A 10 1.020 -5.631 3.692 1.00 0.53 C ATOM 137 O LEU A 10 -0.011 -5.013 3.858 1.00 0.59 O ATOM 138 CB LEU A 10 2.350 -4.715 1.765 1.00 0.55 C ATOM 139 CG LEU A 10 1.155 -3.941 1.159 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.088 -2.515 1.693 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.203 -3.939 -0.351 1.00 0.65 C ATOM 0 H LEU A 10 4.112 -5.945 3.133 1.00 0.54 H new ATOM 0 HA LEU A 10 2.296 -3.902 3.730 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.271 -4.190 1.510 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.403 -5.698 1.296 1.00 0.55 H new ATOM 0 HG LEU A 10 0.248 -4.462 1.466 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.238 -1.999 1.247 1.00 0.70 H new ATOM 0 HD12 LEU A 10 0.972 -2.537 2.777 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.007 -1.987 1.438 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.348 -3.386 -0.741 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.126 -3.464 -0.685 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.170 -4.965 -0.717 1.00 0.65 H new ATOM 153 N ARG A 11 1.111 -6.946 3.886 1.00 0.49 N ATOM 154 CA ARG A 11 -0.040 -7.733 4.330 1.00 0.50 C ATOM 155 C ARG A 11 -0.503 -7.257 5.723 1.00 0.54 C ATOM 156 O ARG A 11 -1.670 -7.372 6.078 1.00 0.63 O ATOM 157 CB ARG A 11 0.293 -9.239 4.350 1.00 0.51 C ATOM 158 CG ARG A 11 -0.935 -10.134 4.547 1.00 0.61 C ATOM 159 CD ARG A 11 -0.579 -11.614 4.569 1.00 0.72 C ATOM 160 NE ARG A 11 0.060 -12.105 3.322 1.00 0.96 N ATOM 161 CZ ARG A 11 1.068 -13.004 3.295 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.606 -13.417 4.442 1.00 1.65 N ATOM 163 NH2 ARG A 11 1.527 -13.492 2.133 1.00 1.80 N ATOM 0 H ARG A 11 1.964 -7.487 3.744 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.854 -7.582 3.621 1.00 0.50 H new ATOM 0 HB2 ARG A 11 0.782 -9.507 3.413 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.007 -9.434 5.150 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.428 -9.868 5.482 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -1.649 -9.947 3.745 1.00 0.61 H new ATOM 0 HD2 ARG A 11 0.093 -11.802 5.407 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -1.485 -12.192 4.751 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.283 -11.742 2.433 1.00 0.96 H new ATOM 0 HH11 ARG A 11 1.256 -13.055 5.329 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.368 -14.096 4.433 1.00 1.65 H new ATOM 0 HH21 ARG A 11 1.114 -13.185 1.252 1.00 1.80 H new ATOM 0 HH22 ARG A 11 2.289 -14.170 2.130 1.00 1.80 H new ATOM 177 N ARG A 12 0.431 -6.728 6.497 1.00 0.54 N ATOM 178 CA ARG A 12 0.130 -6.161 7.808 1.00 0.60 C ATOM 179 C ARG A 12 -0.431 -4.768 7.603 1.00 0.58 C ATOM 180 O ARG A 12 -1.518 -4.446 8.061 1.00 0.66 O ATOM 181 CB ARG A 12 1.401 -6.030 8.637 1.00 0.68 C ATOM 182 CG ARG A 12 2.228 -7.283 8.757 1.00 0.80 C ATOM 183 CD ARG A 12 3.553 -6.948 9.398 1.00 0.96 C ATOM 184 NE ARG A 12 4.441 -8.098 9.486 1.00 1.50 N ATOM 185 CZ ARG A 12 5.765 -8.020 9.522 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.384 -6.887 9.181 1.00 2.23 N ATOM 187 NH2 ARG A 12 6.469 -9.094 9.807 1.00 2.93 N ATOM 0 H ARG A 12 1.416 -6.678 6.238 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.577 -6.811 8.324 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.020 -5.247 8.199 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.128 -5.698 9.639 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.699 -8.025 9.355 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.388 -7.722 7.772 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.041 -6.160 8.824 1.00 0.96 H new ATOM 0 HD3 ARG A 12 3.378 -6.552 10.398 1.00 0.96 H new ATOM 0 HE ARG A 12 4.017 -9.025 9.522 1.00 1.50 H new ATOM 0 HH11 ARG A 12 5.839 -6.075 8.891 1.00 2.23 H new ATOM 0 HH12 ARG A 12 7.402 -6.833 9.211 1.00 2.23 H new ATOM 0 HH21 ARG A 12 5.997 -9.978 9.998 1.00 2.93 H new ATOM 0 HH22 ARG A 12 7.487 -9.043 9.837 1.00 2.93 H new ATOM 201 N ALA A 13 0.330 -3.967 6.859 1.00 0.54 N ATOM 202 CA ALA A 13 0.046 -2.555 6.602 1.00 0.58 C ATOM 203 C ALA A 13 -1.310 -2.335 5.991 1.00 0.56 C ATOM 204 O ALA A 13 -2.031 -1.438 6.393 1.00 0.65 O ATOM 205 CB ALA A 13 1.100 -1.982 5.690 1.00 0.66 C ATOM 0 H ALA A 13 1.185 -4.291 6.406 1.00 0.54 H new ATOM 0 HA ALA A 13 0.056 -2.049 7.567 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.885 -0.930 5.501 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.078 -2.073 6.162 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.100 -2.528 4.746 1.00 0.66 H new ATOM 211 N LEU A 14 -1.656 -3.182 5.044 1.00 0.53 N ATOM 212 CA LEU A 14 -2.909 -3.099 4.328 1.00 0.59 C ATOM 213 C LEU A 14 -4.091 -3.377 5.271 1.00 0.75 C ATOM 214 O LEU A 14 -5.222 -3.103 4.955 1.00 1.02 O ATOM 215 CB LEU A 14 -2.888 -4.042 3.116 1.00 0.54 C ATOM 216 CG LEU A 14 -3.996 -3.860 2.082 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.997 -2.432 1.553 1.00 0.62 C ATOM 218 CD2 LEU A 14 -3.788 -4.834 0.935 1.00 1.06 C ATOM 0 H LEU A 14 -1.065 -3.958 4.747 1.00 0.53 H new ATOM 0 HA LEU A 14 -3.042 -2.086 3.948 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.929 -3.924 2.611 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.931 -5.067 3.483 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.957 -4.058 2.556 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.792 -2.317 0.817 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -4.163 -1.739 2.378 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -3.036 -2.216 1.086 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -4.580 -4.703 0.198 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.822 -4.644 0.467 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.813 -5.855 1.316 1.00 1.06 H new ATOM 230 N VAL A 15 -3.813 -3.991 6.389 1.00 0.71 N ATOM 231 CA VAL A 15 -4.796 -4.132 7.440 1.00 0.83 C ATOM 232 C VAL A 15 -4.743 -2.865 8.305 1.00 0.85 C ATOM 233 O VAL A 15 -5.740 -2.167 8.459 1.00 0.98 O ATOM 234 CB VAL A 15 -4.519 -5.382 8.318 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.560 -5.501 9.424 1.00 1.02 C ATOM 236 CG2 VAL A 15 -4.521 -6.642 7.467 1.00 0.91 C ATOM 0 H VAL A 15 -2.906 -4.407 6.601 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.783 -4.262 6.995 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.535 -5.266 8.773 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -5.349 -6.383 10.029 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.525 -4.612 10.054 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.552 -5.593 8.982 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -4.325 -7.508 8.099 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -5.493 -6.755 6.987 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.746 -6.567 6.704 1.00 0.91 H new ATOM 246 N GLU A 16 -3.539 -2.586 8.842 1.00 0.81 N ATOM 247 CA GLU A 16 -3.241 -1.447 9.731 1.00 0.87 C ATOM 248 C GLU A 16 -3.780 -0.093 9.238 1.00 0.89 C ATOM 249 O GLU A 16 -4.107 0.777 10.050 1.00 1.05 O ATOM 250 CB GLU A 16 -1.737 -1.309 9.914 1.00 0.91 C ATOM 251 CG GLU A 16 -1.055 -2.486 10.572 1.00 1.00 C ATOM 252 CD GLU A 16 0.419 -2.221 10.784 1.00 1.30 C ATOM 253 OE1 GLU A 16 0.804 -1.035 10.920 1.00 1.90 O ATOM 254 OE2 GLU A 16 1.226 -3.172 10.751 1.00 1.91 O ATOM 0 H GLU A 16 -2.720 -3.167 8.662 1.00 0.81 H new ATOM 0 HA GLU A 16 -3.750 -1.679 10.667 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -1.282 -1.147 8.937 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -1.540 -0.417 10.509 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -1.530 -2.695 11.530 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.181 -3.374 9.953 1.00 1.00 H new ATOM 261 N SER A 17 -3.826 0.107 7.942 1.00 0.82 N ATOM 262 CA SER A 17 -4.291 1.356 7.405 1.00 0.93 C ATOM 263 C SER A 17 -5.802 1.545 7.513 1.00 1.03 C ATOM 264 O SER A 17 -6.297 2.674 7.415 1.00 1.22 O ATOM 265 CB SER A 17 -3.786 1.558 5.988 1.00 0.96 C ATOM 266 OG SER A 17 -3.962 0.405 5.170 1.00 1.58 O ATOM 0 H SER A 17 -3.546 -0.581 7.243 1.00 0.82 H new ATOM 0 HA SER A 17 -3.864 2.140 8.031 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.310 2.401 5.537 1.00 0.96 H new ATOM 0 HB3 SER A 17 -2.728 1.819 6.018 1.00 0.96 H new ATOM 0 HG SER A 17 -4.918 0.258 5.013 1.00 1.58 H new ATOM 351 N ASP A 25 -10.425 -11.524 4.529 1.00 1.06 N ATOM 352 CA ASP A 25 -9.732 -12.701 4.027 1.00 1.14 C ATOM 353 C ASP A 25 -8.495 -12.242 3.280 1.00 0.91 C ATOM 354 O ASP A 25 -7.984 -12.914 2.383 1.00 1.11 O ATOM 355 CB ASP A 25 -10.649 -13.560 3.133 1.00 1.52 C ATOM 356 CG ASP A 25 -10.977 -12.960 1.768 1.00 1.99 C ATOM 357 OD1 ASP A 25 -11.517 -11.841 1.716 1.00 2.49 O ATOM 358 OD2 ASP A 25 -10.628 -13.554 0.732 1.00 2.41 O ATOM 0 HA ASP A 25 -9.439 -13.338 4.862 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.176 -14.530 2.981 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -11.582 -13.741 3.666 1.00 1.52 H new ATOM 363 N LEU A 26 -7.978 -11.114 3.736 1.00 0.84 N ATOM 364 CA LEU A 26 -6.801 -10.471 3.177 1.00 0.77 C ATOM 365 C LEU A 26 -5.534 -11.277 3.539 1.00 0.86 C ATOM 366 O LEU A 26 -4.464 -11.102 2.941 1.00 1.05 O ATOM 367 CB LEU A 26 -6.709 -9.040 3.723 1.00 0.94 C ATOM 368 CG LEU A 26 -5.622 -8.147 3.130 1.00 0.85 C ATOM 369 CD1 LEU A 26 -5.867 -7.933 1.648 1.00 1.22 C ATOM 370 CD2 LEU A 26 -5.580 -6.818 3.863 1.00 1.11 C ATOM 0 H LEU A 26 -8.376 -10.607 4.526 1.00 0.84 H new ATOM 0 HA LEU A 26 -6.879 -10.436 2.090 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -7.672 -8.554 3.566 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -6.552 -9.097 4.800 1.00 0.94 H new ATOM 0 HG LEU A 26 -4.657 -8.639 3.250 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -5.084 -7.294 1.238 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -5.856 -8.895 1.135 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -6.837 -7.456 1.505 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -4.801 -6.189 3.432 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -6.544 -6.319 3.767 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -5.364 -6.991 4.917 1.00 1.11 H new ATOM 382 N SER A 27 -5.670 -12.142 4.524 1.00 0.96 N ATOM 383 CA SER A 27 -4.612 -13.034 4.917 1.00 1.13 C ATOM 384 C SER A 27 -4.421 -14.127 3.862 1.00 1.20 C ATOM 385 O SER A 27 -5.194 -15.082 3.768 1.00 1.66 O ATOM 386 CB SER A 27 -4.891 -13.609 6.316 1.00 1.36 C ATOM 387 OG SER A 27 -6.258 -13.994 6.446 1.00 1.89 O ATOM 0 H SER A 27 -6.524 -12.242 5.073 1.00 0.96 H new ATOM 0 HA SER A 27 -3.675 -12.481 4.979 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.248 -14.471 6.494 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.645 -12.866 7.074 1.00 1.36 H new ATOM 0 HG SER A 27 -6.534 -14.494 5.650 1.00 1.89 H new ATOM 393 N GLY A 28 -3.428 -13.937 3.058 1.00 1.48 N ATOM 394 CA GLY A 28 -3.121 -14.811 1.991 1.00 1.67 C ATOM 395 C GLY A 28 -2.389 -14.021 0.973 1.00 1.54 C ATOM 396 O GLY A 28 -1.823 -12.960 1.311 1.00 2.30 O ATOM 0 H GLY A 28 -2.792 -13.143 3.134 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -2.513 -15.646 2.340 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -4.031 -15.235 1.567 1.00 1.67 H new ATOM 400 N ASP A 29 -2.393 -14.446 -0.247 1.00 1.09 N ATOM 401 CA ASP A 29 -1.711 -13.679 -1.243 1.00 1.07 C ATOM 402 C ASP A 29 -2.629 -12.907 -2.113 1.00 0.87 C ATOM 403 O ASP A 29 -3.163 -13.382 -3.113 1.00 1.13 O ATOM 404 CB ASP A 29 -0.610 -14.415 -1.977 1.00 1.48 C ATOM 405 CG ASP A 29 0.597 -14.566 -1.080 1.00 2.24 C ATOM 406 OD1 ASP A 29 1.079 -13.565 -0.523 1.00 2.97 O ATOM 407 OD2 ASP A 29 1.091 -15.698 -0.918 1.00 2.56 O ATOM 0 H ASP A 29 -2.848 -15.298 -0.576 1.00 1.09 H new ATOM 0 HA ASP A 29 -1.157 -12.927 -0.680 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -0.964 -15.396 -2.292 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -0.336 -13.870 -2.880 1.00 1.48 H new ATOM 412 N PHE A 30 -2.791 -11.693 -1.697 1.00 0.67 N ATOM 413 CA PHE A 30 -3.674 -10.712 -2.279 1.00 0.57 C ATOM 414 C PHE A 30 -3.021 -9.993 -3.473 1.00 0.49 C ATOM 415 O PHE A 30 -3.415 -8.898 -3.837 1.00 0.48 O ATOM 416 CB PHE A 30 -4.057 -9.702 -1.171 1.00 0.59 C ATOM 417 CG PHE A 30 -2.864 -9.063 -0.470 1.00 0.55 C ATOM 418 CD1 PHE A 30 -2.246 -9.699 0.585 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.380 -7.821 -0.865 1.00 0.58 C ATOM 420 CE1 PHE A 30 -1.175 -9.123 1.239 1.00 0.74 C ATOM 421 CE2 PHE A 30 -1.320 -7.246 -0.212 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.671 -7.903 0.774 1.00 0.73 C ATOM 0 H PHE A 30 -2.282 -11.329 -0.892 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.564 -11.208 -2.667 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.671 -8.915 -1.609 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.672 -10.210 -0.428 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -2.606 -10.665 0.906 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -2.843 -7.305 -1.693 1.00 0.58 H new ATOM 0 HE1 PHE A 30 -0.733 -9.607 2.097 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -0.999 -6.253 -0.490 1.00 0.65 H new ATOM 0 HZ PHE A 30 0.231 -7.489 1.201 1.00 0.73 H new ATOM 432 N LEU A 31 -2.059 -10.635 -4.104 1.00 0.54 N ATOM 433 CA LEU A 31 -1.368 -10.059 -5.249 1.00 0.60 C ATOM 434 C LEU A 31 -2.290 -9.971 -6.461 1.00 0.63 C ATOM 435 O LEU A 31 -2.124 -9.106 -7.318 1.00 0.72 O ATOM 436 CB LEU A 31 -0.102 -10.865 -5.600 1.00 0.75 C ATOM 437 CG LEU A 31 1.136 -10.699 -4.690 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.569 -9.251 -4.624 1.00 0.75 C ATOM 439 CD2 LEU A 31 0.918 -11.277 -3.295 1.00 1.43 C ATOM 0 H LEU A 31 -1.733 -11.565 -3.843 1.00 0.54 H new ATOM 0 HA LEU A 31 -1.066 -9.049 -4.972 1.00 0.60 H new ATOM 0 HB2 LEU A 31 -0.370 -11.921 -5.610 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.192 -10.601 -6.616 1.00 0.75 H new ATOM 0 HG LEU A 31 1.942 -11.276 -5.143 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.442 -9.161 -3.977 1.00 0.75 H new ATOM 0 HD12 LEU A 31 1.821 -8.901 -5.625 1.00 0.75 H new ATOM 0 HD13 LEU A 31 0.756 -8.646 -4.222 1.00 0.75 H new ATOM 0 HD21 LEU A 31 1.818 -11.134 -2.697 1.00 1.43 H new ATOM 0 HD22 LEU A 31 0.080 -10.769 -2.817 1.00 1.43 H new ATOM 0 HD23 LEU A 31 0.700 -12.342 -3.373 1.00 1.43 H new ATOM 451 N ASP A 32 -3.277 -10.862 -6.496 1.00 0.66 N ATOM 452 CA ASP A 32 -4.251 -10.936 -7.594 1.00 0.83 C ATOM 453 C ASP A 32 -5.540 -10.245 -7.186 1.00 0.73 C ATOM 454 O ASP A 32 -6.583 -10.386 -7.843 1.00 0.96 O ATOM 455 CB ASP A 32 -4.576 -12.398 -7.946 1.00 1.10 C ATOM 456 CG ASP A 32 -3.380 -13.219 -8.357 1.00 1.70 C ATOM 457 OD1 ASP A 32 -2.885 -13.052 -9.503 1.00 2.33 O ATOM 458 OD2 ASP A 32 -2.886 -14.034 -7.548 1.00 2.26 O ATOM 0 H ASP A 32 -3.429 -11.557 -5.765 1.00 0.66 H new ATOM 0 HA ASP A 32 -3.812 -10.445 -8.463 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -5.047 -12.871 -7.084 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -5.306 -12.411 -8.755 1.00 1.10 H new ATOM 463 N LEU A 33 -5.463 -9.498 -6.122 1.00 0.50 N ATOM 464 CA LEU A 33 -6.594 -8.815 -5.557 1.00 0.50 C ATOM 465 C LEU A 33 -6.348 -7.318 -5.716 1.00 0.50 C ATOM 466 O LEU A 33 -5.202 -6.893 -5.796 1.00 0.78 O ATOM 467 CB LEU A 33 -6.689 -9.222 -4.074 1.00 0.49 C ATOM 468 CG LEU A 33 -7.921 -8.801 -3.280 1.00 0.64 C ATOM 469 CD1 LEU A 33 -9.179 -9.365 -3.914 1.00 0.77 C ATOM 470 CD2 LEU A 33 -7.791 -9.307 -1.849 1.00 0.70 C ATOM 0 H LEU A 33 -4.594 -9.343 -5.611 1.00 0.50 H new ATOM 0 HA LEU A 33 -7.532 -9.071 -6.049 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.618 -10.309 -4.024 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.813 -8.821 -3.564 1.00 0.49 H new ATOM 0 HG LEU A 33 -7.992 -7.713 -3.281 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -10.049 -9.055 -3.335 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -9.271 -8.992 -4.934 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -9.122 -10.453 -3.929 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -8.669 -9.009 -1.276 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -7.712 -10.394 -1.853 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -6.898 -8.881 -1.392 1.00 0.70 H new ATOM 482 N ARG A 34 -7.390 -6.525 -5.798 1.00 0.34 N ATOM 483 CA ARG A 34 -7.224 -5.095 -5.994 1.00 0.37 C ATOM 484 C ARG A 34 -7.601 -4.368 -4.737 1.00 0.35 C ATOM 485 O ARG A 34 -8.302 -4.917 -3.879 1.00 0.40 O ATOM 486 CB ARG A 34 -8.135 -4.576 -7.097 1.00 0.45 C ATOM 487 CG ARG A 34 -7.890 -5.122 -8.478 1.00 0.60 C ATOM 488 CD ARG A 34 -8.950 -4.598 -9.422 1.00 1.01 C ATOM 489 NE ARG A 34 -8.718 -5.005 -10.787 1.00 1.74 N ATOM 490 CZ ARG A 34 -8.861 -4.213 -11.847 1.00 2.51 C ATOM 491 NH1 ARG A 34 -9.455 -3.025 -11.739 1.00 2.74 N ATOM 492 NH2 ARG A 34 -8.503 -4.660 -13.030 1.00 3.50 N ATOM 0 H ARG A 34 -8.359 -6.838 -5.733 1.00 0.34 H new ATOM 0 HA ARG A 34 -6.182 -4.923 -6.262 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -9.166 -4.796 -6.820 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -8.040 -3.491 -7.137 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -6.900 -4.828 -8.827 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.911 -6.212 -8.459 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -9.928 -4.955 -9.100 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -8.974 -3.510 -9.369 1.00 1.01 H new ATOM 0 HE ARG A 34 -8.424 -5.968 -10.951 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -9.808 -2.711 -10.835 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -9.557 -2.429 -12.561 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -8.122 -5.601 -13.126 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -8.606 -4.066 -13.852 1.00 3.50 H new ATOM 506 N PHE A 35 -7.197 -3.119 -4.648 1.00 0.36 N ATOM 507 CA PHE A 35 -7.567 -2.280 -3.514 1.00 0.39 C ATOM 508 C PHE A 35 -9.069 -2.028 -3.531 1.00 0.47 C ATOM 509 O PHE A 35 -9.733 -2.055 -2.503 1.00 0.54 O ATOM 510 CB PHE A 35 -6.803 -0.950 -3.541 1.00 0.41 C ATOM 511 CG PHE A 35 -5.314 -1.102 -3.412 1.00 0.38 C ATOM 512 CD1 PHE A 35 -4.713 -1.157 -2.164 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.515 -1.186 -4.540 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.349 -1.297 -2.045 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.149 -1.326 -4.427 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.567 -1.386 -3.168 1.00 0.47 C ATOM 0 H PHE A 35 -6.612 -2.656 -5.344 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.300 -2.801 -2.595 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -7.026 -0.433 -4.474 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.166 -0.317 -2.731 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -5.322 -1.089 -1.275 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.968 -1.141 -5.519 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -2.894 -1.337 -1.066 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.534 -1.389 -5.313 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.498 -1.503 -3.073 1.00 0.47 H new ATOM 526 N GLU A 36 -9.597 -1.852 -4.715 1.00 0.57 N ATOM 527 CA GLU A 36 -11.016 -1.611 -4.917 1.00 0.76 C ATOM 528 C GLU A 36 -11.878 -2.830 -4.552 1.00 0.74 C ATOM 529 O GLU A 36 -13.061 -2.695 -4.263 1.00 0.87 O ATOM 530 CB GLU A 36 -11.262 -1.119 -6.340 1.00 0.97 C ATOM 531 CG GLU A 36 -10.602 -1.971 -7.413 1.00 1.31 C ATOM 532 CD GLU A 36 -10.670 -1.341 -8.773 1.00 1.56 C ATOM 533 OE1 GLU A 36 -10.404 -0.135 -8.891 1.00 1.81 O ATOM 534 OE2 GLU A 36 -10.982 -2.035 -9.735 1.00 2.06 O ATOM 0 H GLU A 36 -9.055 -1.871 -5.579 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.330 -0.825 -4.230 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -12.336 -1.091 -6.523 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -10.897 -0.096 -6.428 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -9.559 -2.140 -7.147 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -11.085 -2.948 -7.444 1.00 1.31 H new ATOM 541 N ASP A 37 -11.276 -4.024 -4.544 1.00 0.66 N ATOM 542 CA ASP A 37 -12.012 -5.230 -4.145 1.00 0.73 C ATOM 543 C ASP A 37 -12.138 -5.274 -2.637 1.00 0.73 C ATOM 544 O ASP A 37 -13.175 -5.648 -2.094 1.00 0.89 O ATOM 545 CB ASP A 37 -11.335 -6.539 -4.597 1.00 0.75 C ATOM 546 CG ASP A 37 -11.294 -6.765 -6.084 1.00 1.29 C ATOM 547 OD1 ASP A 37 -12.354 -6.975 -6.679 1.00 1.28 O ATOM 548 OD2 ASP A 37 -10.209 -6.671 -6.692 1.00 2.20 O ATOM 0 H ASP A 37 -10.302 -4.181 -4.803 1.00 0.66 H new ATOM 0 HA ASP A 37 -12.984 -5.166 -4.634 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -10.314 -6.550 -4.217 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.856 -7.377 -4.134 1.00 0.75 H new ATOM 553 N ILE A 38 -11.088 -4.844 -1.962 1.00 0.63 N ATOM 554 CA ILE A 38 -11.033 -4.891 -0.498 1.00 0.68 C ATOM 555 C ILE A 38 -11.614 -3.647 0.160 1.00 0.68 C ATOM 556 O ILE A 38 -11.410 -3.405 1.341 1.00 0.73 O ATOM 557 CB ILE A 38 -9.601 -5.145 0.034 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.622 -4.104 -0.520 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.152 -6.538 -0.313 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.183 -4.293 -0.097 1.00 0.64 C ATOM 0 H ILE A 38 -10.253 -4.455 -2.400 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.659 -5.739 -0.222 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.616 -5.049 1.120 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.671 -4.124 -1.609 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.951 -3.114 -0.205 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.144 -6.701 0.068 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.831 -7.262 0.137 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.155 -6.662 -1.396 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.568 -3.509 -0.539 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -7.113 -4.240 0.989 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -6.829 -5.266 -0.436 1.00 0.64 H new ATOM 572 N GLY A 39 -12.378 -2.895 -0.603 1.00 0.69 N ATOM 573 CA GLY A 39 -13.036 -1.728 -0.081 1.00 0.77 C ATOM 574 C GLY A 39 -12.105 -0.555 0.140 1.00 0.65 C ATOM 575 O GLY A 39 -12.482 0.430 0.796 1.00 0.74 O ATOM 0 H GLY A 39 -12.556 -3.076 -1.591 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.827 -1.429 -0.769 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.515 -1.984 0.864 1.00 0.77 H new ATOM 579 N TYR A 40 -10.909 -0.629 -0.398 1.00 0.52 N ATOM 580 CA TYR A 40 -9.978 0.454 -0.259 1.00 0.47 C ATOM 581 C TYR A 40 -10.340 1.607 -1.122 1.00 0.49 C ATOM 582 O TYR A 40 -10.441 1.502 -2.350 1.00 0.61 O ATOM 583 CB TYR A 40 -8.521 0.033 -0.399 1.00 0.46 C ATOM 584 CG TYR A 40 -7.902 -0.238 0.936 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.204 -1.379 1.657 1.00 0.62 C ATOM 586 CD2 TYR A 40 -7.059 0.693 1.505 1.00 0.61 C ATOM 587 CE1 TYR A 40 -7.668 -1.591 2.907 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.530 0.502 2.754 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.827 -0.630 3.452 1.00 0.81 C ATOM 590 OH TYR A 40 -6.310 -0.789 4.709 1.00 1.02 O ATOM 0 H TYR A 40 -10.564 -1.426 -0.933 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.064 0.795 0.773 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.457 -0.860 -1.020 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.961 0.817 -0.909 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -8.871 -2.115 1.233 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.811 1.589 0.956 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -7.898 -2.492 3.456 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.878 1.248 3.185 1.00 0.78 H new ATOM 0 HH TYR A 40 -6.295 -1.742 4.939 1.00 1.02 H new ATOM 600 N ASP A 41 -10.573 2.681 -0.453 1.00 0.48 N ATOM 601 CA ASP A 41 -11.027 3.894 -1.039 1.00 0.56 C ATOM 602 C ASP A 41 -9.857 4.877 -1.036 1.00 0.45 C ATOM 603 O ASP A 41 -8.757 4.521 -0.562 1.00 0.39 O ATOM 604 CB ASP A 41 -12.194 4.410 -0.200 1.00 0.75 C ATOM 605 CG ASP A 41 -13.025 5.455 -0.876 1.00 1.11 C ATOM 606 OD1 ASP A 41 -12.669 6.644 -0.795 1.00 2.01 O ATOM 607 OD2 ASP A 41 -14.007 5.115 -1.527 1.00 1.20 O ATOM 0 H ASP A 41 -10.448 2.741 0.557 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.369 3.758 -2.065 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -12.835 3.569 0.066 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -11.803 4.820 0.731 1.00 0.75 H new ATOM 612 N SER A 42 -10.096 6.085 -1.493 1.00 0.57 N ATOM 613 CA SER A 42 -9.085 7.106 -1.671 1.00 0.62 C ATOM 614 C SER A 42 -8.309 7.373 -0.379 1.00 0.53 C ATOM 615 O SER A 42 -7.099 7.123 -0.310 1.00 0.54 O ATOM 616 CB SER A 42 -9.771 8.376 -2.147 1.00 0.83 C ATOM 617 OG SER A 42 -10.829 8.735 -1.194 1.00 1.24 O ATOM 0 H SER A 42 -11.030 6.396 -1.760 1.00 0.57 H new ATOM 0 HA SER A 42 -8.360 6.762 -2.409 1.00 0.62 H new ATOM 0 HB2 SER A 42 -9.047 9.187 -2.229 1.00 0.83 H new ATOM 0 HB3 SER A 42 -10.194 8.225 -3.140 1.00 0.83 H new ATOM 0 HG SER A 42 -11.520 8.040 -1.196 1.00 1.24 H new ATOM 622 N LEU A 43 -9.030 7.842 0.636 1.00 0.53 N ATOM 623 CA LEU A 43 -8.467 8.191 1.944 1.00 0.54 C ATOM 624 C LEU A 43 -7.646 7.058 2.525 1.00 0.45 C ATOM 625 O LEU A 43 -6.502 7.255 2.935 1.00 0.47 O ATOM 626 CB LEU A 43 -9.581 8.574 2.928 1.00 0.68 C ATOM 627 CG LEU A 43 -10.392 9.834 2.592 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.518 10.015 3.597 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.493 11.063 2.594 1.00 0.90 C ATOM 0 H LEU A 43 -10.037 7.994 0.575 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.808 9.046 1.790 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.272 7.734 3.004 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.134 8.709 3.913 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.819 9.715 1.596 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.086 10.911 3.349 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.177 9.147 3.565 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.099 10.116 4.598 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.084 11.947 2.354 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.044 11.184 3.580 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.706 10.940 1.850 1.00 0.90 H new ATOM 641 N ALA A 44 -8.218 5.872 2.486 1.00 0.44 N ATOM 642 CA ALA A 44 -7.629 4.683 3.046 1.00 0.41 C ATOM 643 C ALA A 44 -6.268 4.345 2.425 1.00 0.35 C ATOM 644 O ALA A 44 -5.351 3.997 3.136 1.00 0.38 O ATOM 645 CB ALA A 44 -8.596 3.514 2.920 1.00 0.43 C ATOM 0 H ALA A 44 -9.127 5.709 2.053 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.440 4.879 4.101 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.142 2.619 3.346 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.517 3.744 3.456 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.822 3.341 1.868 1.00 0.43 H new ATOM 651 N LEU A 45 -6.132 4.495 1.108 1.00 0.34 N ATOM 652 CA LEU A 45 -4.869 4.170 0.438 1.00 0.33 C ATOM 653 C LEU A 45 -3.778 5.208 0.760 1.00 0.32 C ATOM 654 O LEU A 45 -2.586 4.891 0.824 1.00 0.36 O ATOM 655 CB LEU A 45 -5.096 4.016 -1.061 1.00 0.48 C ATOM 656 CG LEU A 45 -3.899 3.547 -1.931 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.951 2.623 -1.176 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.454 2.747 -3.023 1.00 0.37 C ATOM 0 H LEU A 45 -6.868 4.834 0.489 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.506 3.216 0.819 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -5.912 3.308 -1.205 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.435 4.977 -1.449 1.00 0.48 H new ATOM 0 HG LEU A 45 -3.350 4.432 -2.253 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.133 2.326 -1.832 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.549 3.145 -0.308 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -3.493 1.736 -0.847 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.645 2.394 -3.663 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.990 1.892 -2.611 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.141 3.358 -3.609 1.00 0.37 H new ATOM 670 N MET A 46 -4.195 6.439 1.030 1.00 0.37 N ATOM 671 CA MET A 46 -3.236 7.504 1.403 1.00 0.46 C ATOM 672 C MET A 46 -2.693 7.144 2.755 1.00 0.48 C ATOM 673 O MET A 46 -1.505 7.235 3.032 1.00 0.54 O ATOM 674 CB MET A 46 -3.935 8.858 1.523 1.00 0.59 C ATOM 675 CG MET A 46 -4.913 9.101 0.449 1.00 0.54 C ATOM 676 SD MET A 46 -5.602 10.761 0.477 1.00 0.89 S ATOM 677 CE MET A 46 -6.607 10.688 -0.989 1.00 1.84 C ATOM 0 H MET A 46 -5.171 6.734 1.002 1.00 0.37 H new ATOM 0 HA MET A 46 -2.459 7.581 0.642 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.441 8.915 2.487 1.00 0.59 H new ATOM 0 HB3 MET A 46 -3.186 9.649 1.510 1.00 0.59 H new ATOM 0 HG2 MET A 46 -4.434 8.930 -0.515 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.723 8.377 0.535 1.00 0.54 H new ATOM 0 HE1 MET A 46 -6.766 11.696 -1.372 1.00 1.84 H new ATOM 0 HE2 MET A 46 -6.103 10.088 -1.746 1.00 1.84 H new ATOM 0 HE3 MET A 46 -7.569 10.235 -0.748 1.00 1.84 H new ATOM 687 N GLU A 47 -3.601 6.675 3.556 1.00 0.49 N ATOM 688 CA GLU A 47 -3.367 6.220 4.876 1.00 0.55 C ATOM 689 C GLU A 47 -2.454 4.973 4.888 1.00 0.54 C ATOM 690 O GLU A 47 -1.564 4.861 5.741 1.00 0.71 O ATOM 691 CB GLU A 47 -4.726 5.995 5.505 1.00 0.58 C ATOM 692 CG GLU A 47 -5.419 7.283 5.894 1.00 0.82 C ATOM 693 CD GLU A 47 -6.703 7.078 6.645 1.00 1.48 C ATOM 694 OE1 GLU A 47 -7.654 6.546 6.049 1.00 1.84 O ATOM 695 OE2 GLU A 47 -6.794 7.429 7.830 1.00 2.31 O ATOM 0 H GLU A 47 -4.580 6.599 3.281 1.00 0.49 H new ATOM 0 HA GLU A 47 -2.820 6.955 5.466 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.357 5.446 4.806 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -4.611 5.369 6.390 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.742 7.878 6.507 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.624 7.861 4.993 1.00 0.82 H new ATOM 702 N THR A 48 -2.678 4.060 3.939 1.00 0.42 N ATOM 703 CA THR A 48 -1.814 2.900 3.713 1.00 0.42 C ATOM 704 C THR A 48 -0.386 3.377 3.462 1.00 0.39 C ATOM 705 O THR A 48 0.558 2.964 4.157 1.00 0.41 O ATOM 706 CB THR A 48 -2.319 2.138 2.462 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.673 1.756 2.653 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.489 0.897 2.155 1.00 0.45 C ATOM 0 H THR A 48 -3.472 4.106 3.300 1.00 0.42 H new ATOM 0 HA THR A 48 -1.835 2.246 4.585 1.00 0.42 H new ATOM 0 HB THR A 48 -2.224 2.816 1.614 1.00 0.41 H new ATOM 0 HG1 THR A 48 -3.746 1.199 3.456 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.888 0.403 1.269 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.454 1.187 1.974 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.531 0.212 3.002 1.00 0.45 H new ATOM 716 N ALA A 49 -0.254 4.262 2.489 1.00 0.39 N ATOM 717 CA ALA A 49 1.026 4.802 2.088 1.00 0.40 C ATOM 718 C ALA A 49 1.728 5.494 3.260 1.00 0.42 C ATOM 719 O ALA A 49 2.897 5.242 3.505 1.00 0.41 O ATOM 720 CB ALA A 49 0.861 5.765 0.925 1.00 0.43 C ATOM 0 H ALA A 49 -1.041 4.627 1.953 1.00 0.39 H new ATOM 0 HA ALA A 49 1.651 3.970 1.765 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.836 6.160 0.639 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.419 5.240 0.078 1.00 0.43 H new ATOM 0 HB3 ALA A 49 0.210 6.587 1.223 1.00 0.43 H new ATOM 726 N ALA A 50 0.983 6.313 4.004 1.00 0.46 N ATOM 727 CA ALA A 50 1.512 7.074 5.153 1.00 0.51 C ATOM 728 C ALA A 50 2.172 6.169 6.200 1.00 0.49 C ATOM 729 O ALA A 50 3.255 6.490 6.722 1.00 0.49 O ATOM 730 CB ALA A 50 0.409 7.909 5.791 1.00 0.62 C ATOM 0 H ALA A 50 -0.010 6.473 3.831 1.00 0.46 H new ATOM 0 HA ALA A 50 2.287 7.737 4.769 1.00 0.51 H new ATOM 0 HB1 ALA A 50 0.816 8.464 6.637 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.011 8.608 5.056 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.390 7.253 6.138 1.00 0.62 H new ATOM 736 N ARG A 51 1.538 5.025 6.477 1.00 0.51 N ATOM 737 CA ARG A 51 2.055 4.030 7.437 1.00 0.54 C ATOM 738 C ARG A 51 3.414 3.511 6.952 1.00 0.50 C ATOM 739 O ARG A 51 4.315 3.223 7.739 1.00 0.61 O ATOM 740 CB ARG A 51 0.995 2.873 7.594 1.00 0.62 C ATOM 741 CG ARG A 51 1.304 1.690 8.579 1.00 0.87 C ATOM 742 CD ARG A 51 2.370 0.724 8.045 1.00 1.36 C ATOM 743 NE ARG A 51 2.497 -0.537 8.820 1.00 2.18 N ATOM 744 CZ ARG A 51 3.294 -1.572 8.460 1.00 3.05 C ATOM 745 NH1 ARG A 51 4.138 -1.427 7.443 1.00 3.48 N ATOM 746 NH2 ARG A 51 3.245 -2.734 9.104 1.00 3.91 N ATOM 0 H ARG A 51 0.653 4.758 6.046 1.00 0.51 H new ATOM 0 HA ARG A 51 2.209 4.480 8.418 1.00 0.54 H new ATOM 0 HB2 ARG A 51 0.055 3.327 7.909 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.826 2.444 6.606 1.00 0.62 H new ATOM 0 HG2 ARG A 51 1.637 2.098 9.533 1.00 0.87 H new ATOM 0 HG3 ARG A 51 0.385 1.137 8.772 1.00 0.87 H new ATOM 0 HD2 ARG A 51 2.134 0.478 7.010 1.00 1.36 H new ATOM 0 HD3 ARG A 51 3.334 1.232 8.040 1.00 1.36 H new ATOM 0 HE ARG A 51 1.950 -0.629 9.676 1.00 2.18 H new ATOM 0 HH11 ARG A 51 4.182 -0.541 6.940 1.00 3.48 H new ATOM 0 HH12 ARG A 51 4.741 -2.202 7.166 1.00 3.48 H new ATOM 0 HH21 ARG A 51 2.599 -2.858 9.884 1.00 3.91 H new ATOM 0 HH22 ARG A 51 3.853 -3.502 8.818 1.00 3.91 H new ATOM 760 N LEU A 52 3.559 3.427 5.660 1.00 0.41 N ATOM 761 CA LEU A 52 4.769 2.925 5.072 1.00 0.39 C ATOM 762 C LEU A 52 5.831 4.021 5.013 1.00 0.36 C ATOM 763 O LEU A 52 6.994 3.776 5.340 1.00 0.38 O ATOM 764 CB LEU A 52 4.489 2.358 3.683 1.00 0.36 C ATOM 765 CG LEU A 52 3.378 1.303 3.611 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.213 0.786 2.207 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.640 0.167 4.583 1.00 0.48 C ATOM 0 H LEU A 52 2.845 3.703 4.986 1.00 0.41 H new ATOM 0 HA LEU A 52 5.152 2.119 5.697 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.227 3.182 3.020 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.409 1.918 3.297 1.00 0.36 H new ATOM 0 HG LEU A 52 2.444 1.783 3.902 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.419 0.040 2.185 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.954 1.611 1.544 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.147 0.332 1.874 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.837 -0.566 4.511 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.589 -0.309 4.338 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.682 0.560 5.599 1.00 0.48 H new ATOM 779 N GLU A 53 5.410 5.225 4.632 1.00 0.35 N ATOM 780 CA GLU A 53 6.295 6.392 4.521 1.00 0.37 C ATOM 781 C GLU A 53 7.007 6.659 5.835 1.00 0.41 C ATOM 782 O GLU A 53 8.231 6.666 5.883 1.00 0.45 O ATOM 783 CB GLU A 53 5.518 7.657 4.149 1.00 0.40 C ATOM 784 CG GLU A 53 4.782 7.623 2.831 1.00 0.44 C ATOM 785 CD GLU A 53 3.978 8.883 2.630 1.00 0.56 C ATOM 786 OE1 GLU A 53 2.977 9.083 3.340 1.00 0.91 O ATOM 787 OE2 GLU A 53 4.364 9.721 1.808 1.00 0.65 O ATOM 0 H GLU A 53 4.440 5.424 4.389 1.00 0.35 H new ATOM 0 HA GLU A 53 7.015 6.158 3.737 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.796 7.861 4.940 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.215 8.495 4.131 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.495 7.508 2.015 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.121 6.757 2.801 1.00 0.44 H new ATOM 794 N SER A 54 6.236 6.814 6.894 1.00 0.45 N ATOM 795 CA SER A 54 6.759 7.193 8.197 1.00 0.54 C ATOM 796 C SER A 54 7.614 6.083 8.844 1.00 0.52 C ATOM 797 O SER A 54 8.480 6.359 9.687 1.00 0.62 O ATOM 798 CB SER A 54 5.590 7.571 9.098 1.00 0.69 C ATOM 799 OG SER A 54 4.720 8.474 8.413 1.00 1.38 O ATOM 0 H SER A 54 5.225 6.681 6.877 1.00 0.45 H new ATOM 0 HA SER A 54 7.426 8.045 8.064 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.041 6.676 9.391 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.960 8.033 10.014 1.00 0.69 H new ATOM 0 HG SER A 54 4.106 7.967 7.841 1.00 1.38 H new ATOM 805 N ARG A 55 7.365 4.839 8.478 1.00 0.53 N ATOM 806 CA ARG A 55 8.124 3.742 9.047 1.00 0.62 C ATOM 807 C ARG A 55 9.414 3.453 8.249 1.00 0.57 C ATOM 808 O ARG A 55 10.461 3.133 8.822 1.00 0.68 O ATOM 809 CB ARG A 55 7.259 2.476 9.184 1.00 0.78 C ATOM 810 CG ARG A 55 7.994 1.315 9.836 1.00 0.95 C ATOM 811 CD ARG A 55 7.118 0.090 9.986 1.00 1.19 C ATOM 812 NE ARG A 55 7.887 -1.059 10.484 1.00 1.42 N ATOM 813 CZ ARG A 55 7.733 -2.331 10.054 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.740 -2.625 9.225 1.00 1.97 N ATOM 815 NH2 ARG A 55 8.547 -3.290 10.481 1.00 2.41 N ATOM 0 H ARG A 55 6.654 4.566 7.800 1.00 0.53 H new ATOM 0 HA ARG A 55 8.429 4.051 10.047 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.372 2.712 9.772 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.915 2.171 8.196 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.870 1.061 9.239 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.356 1.622 10.817 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.300 0.307 10.672 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.670 -0.159 9.024 1.00 1.19 H new ATOM 0 HE ARG A 55 8.587 -0.884 11.205 1.00 1.42 H new ATOM 0 HH11 ARG A 55 6.100 -1.893 8.917 1.00 1.97 H new ATOM 0 HH12 ARG A 55 6.617 -3.583 8.896 1.00 1.97 H new ATOM 0 HH21 ARG A 55 9.295 -3.069 11.138 1.00 2.41 H new ATOM 0 HH22 ARG A 55 8.424 -4.247 10.152 1.00 2.41 H new ATOM 829 N TYR A 56 9.344 3.564 6.944 1.00 0.49 N ATOM 830 CA TYR A 56 10.484 3.225 6.106 1.00 0.54 C ATOM 831 C TYR A 56 11.324 4.430 5.716 1.00 0.53 C ATOM 832 O TYR A 56 12.525 4.301 5.504 1.00 0.71 O ATOM 833 CB TYR A 56 10.048 2.410 4.890 1.00 0.57 C ATOM 834 CG TYR A 56 9.564 1.022 5.261 1.00 0.68 C ATOM 835 CD1 TYR A 56 8.271 0.828 5.707 1.00 0.66 C ATOM 836 CD2 TYR A 56 10.392 -0.089 5.144 1.00 0.94 C ATOM 837 CE1 TYR A 56 7.809 -0.431 6.031 1.00 0.82 C ATOM 838 CE2 TYR A 56 9.937 -1.354 5.460 1.00 1.09 C ATOM 839 CZ TYR A 56 8.717 -1.524 5.979 1.00 1.02 C ATOM 840 OH TYR A 56 8.179 -2.769 6.225 1.00 1.20 O ATOM 0 H TYR A 56 8.519 3.883 6.436 1.00 0.49 H new ATOM 0 HA TYR A 56 11.140 2.600 6.712 1.00 0.54 H new ATOM 0 HB2 TYR A 56 9.252 2.941 4.368 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.884 2.326 4.195 1.00 0.57 H new ATOM 0 HD1 TYR A 56 7.610 1.677 5.804 1.00 0.66 H new ATOM 0 HD2 TYR A 56 11.408 0.040 4.800 1.00 0.94 H new ATOM 0 HE1 TYR A 56 6.779 -0.583 6.318 1.00 0.82 H new ATOM 0 HE2 TYR A 56 10.571 -2.211 5.287 1.00 1.09 H new ATOM 0 HH TYR A 56 7.203 -2.724 6.150 1.00 1.20 H new ATOM 850 N GLY A 57 10.715 5.589 5.667 1.00 0.44 N ATOM 851 CA GLY A 57 11.442 6.786 5.318 1.00 0.45 C ATOM 852 C GLY A 57 11.313 7.120 3.853 1.00 0.45 C ATOM 853 O GLY A 57 12.309 7.370 3.177 1.00 0.60 O ATOM 0 H GLY A 57 9.724 5.730 5.863 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.073 7.621 5.914 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.495 6.657 5.569 1.00 0.45 H new ATOM 857 N VAL A 58 10.088 7.122 3.361 1.00 0.37 N ATOM 858 CA VAL A 58 9.818 7.435 1.969 1.00 0.39 C ATOM 859 C VAL A 58 8.735 8.497 1.892 1.00 0.40 C ATOM 860 O VAL A 58 8.344 9.050 2.922 1.00 0.42 O ATOM 861 CB VAL A 58 9.416 6.177 1.106 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.498 5.116 1.141 1.00 0.49 C ATOM 863 CG2 VAL A 58 8.086 5.572 1.549 1.00 0.38 C ATOM 0 H VAL A 58 9.256 6.908 3.911 1.00 0.37 H new ATOM 0 HA VAL A 58 10.748 7.808 1.540 1.00 0.39 H new ATOM 0 HB VAL A 58 9.300 6.533 0.082 1.00 0.41 H new ATOM 0 HG11 VAL A 58 10.190 4.263 0.537 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.425 5.528 0.742 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.658 4.793 2.170 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.853 4.709 0.925 1.00 0.38 H new ATOM 0 HG22 VAL A 58 8.158 5.258 2.590 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.296 6.316 1.448 1.00 0.38 H new ATOM 873 N SER A 59 8.263 8.790 0.706 1.00 0.46 N ATOM 874 CA SER A 59 7.194 9.733 0.507 1.00 0.56 C ATOM 875 C SER A 59 6.457 9.377 -0.776 1.00 0.54 C ATOM 876 O SER A 59 7.089 9.121 -1.804 1.00 0.61 O ATOM 877 CB SER A 59 7.740 11.172 0.435 1.00 0.79 C ATOM 878 OG SER A 59 8.448 11.523 1.628 1.00 1.33 O ATOM 0 H SER A 59 8.615 8.375 -0.157 1.00 0.46 H new ATOM 0 HA SER A 59 6.506 9.683 1.351 1.00 0.56 H new ATOM 0 HB2 SER A 59 8.403 11.268 -0.425 1.00 0.79 H new ATOM 0 HB3 SER A 59 6.915 11.868 0.281 1.00 0.79 H new ATOM 0 HG SER A 59 8.783 12.441 1.551 1.00 1.33 H new ATOM 884 N ILE A 60 5.156 9.291 -0.694 1.00 0.48 N ATOM 885 CA ILE A 60 4.316 9.011 -1.833 1.00 0.46 C ATOM 886 C ILE A 60 3.130 9.967 -1.819 1.00 0.50 C ATOM 887 O ILE A 60 2.317 9.943 -0.888 1.00 0.58 O ATOM 888 CB ILE A 60 3.773 7.537 -1.858 1.00 0.44 C ATOM 889 CG1 ILE A 60 4.927 6.519 -1.916 1.00 0.47 C ATOM 890 CG2 ILE A 60 2.841 7.334 -3.063 1.00 0.43 C ATOM 891 CD1 ILE A 60 4.471 5.076 -1.876 1.00 1.13 C ATOM 0 H ILE A 60 4.640 9.415 0.177 1.00 0.48 H new ATOM 0 HA ILE A 60 4.932 9.144 -2.723 1.00 0.46 H new ATOM 0 HB ILE A 60 3.214 7.371 -0.937 1.00 0.44 H new ATOM 0 HG12 ILE A 60 5.499 6.684 -2.829 1.00 0.47 H new ATOM 0 HG13 ILE A 60 5.602 6.700 -1.079 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.472 6.308 -3.069 1.00 0.43 H new ATOM 0 HG22 ILE A 60 1.999 8.023 -2.992 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.390 7.527 -3.984 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.339 4.419 -1.921 1.00 1.13 H new ATOM 0 HD12 ILE A 60 3.924 4.893 -0.951 1.00 1.13 H new ATOM 0 HD13 ILE A 60 3.821 4.876 -2.728 1.00 1.13 H new ATOM 903 N PRO A 61 3.046 10.856 -2.814 1.00 0.52 N ATOM 904 CA PRO A 61 1.906 11.746 -2.960 1.00 0.58 C ATOM 905 C PRO A 61 0.623 10.942 -3.211 1.00 0.52 C ATOM 906 O PRO A 61 0.641 9.901 -3.900 1.00 0.45 O ATOM 907 CB PRO A 61 2.251 12.587 -4.198 1.00 0.63 C ATOM 908 CG PRO A 61 3.726 12.458 -4.349 1.00 0.65 C ATOM 909 CD PRO A 61 4.070 11.088 -3.845 1.00 0.56 C ATOM 0 HA PRO A 61 1.729 12.349 -2.069 1.00 0.58 H new ATOM 0 HB2 PRO A 61 1.730 12.221 -5.082 1.00 0.63 H new ATOM 0 HB3 PRO A 61 1.957 13.628 -4.063 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.024 12.578 -5.390 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.246 13.227 -3.778 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.023 10.341 -4.638 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.078 11.050 -3.431 1.00 0.56 H new ATOM 917 N ASP A 62 -0.479 11.425 -2.679 1.00 0.64 N ATOM 918 CA ASP A 62 -1.783 10.758 -2.813 1.00 0.72 C ATOM 919 C ASP A 62 -2.234 10.664 -4.268 1.00 0.61 C ATOM 920 O ASP A 62 -2.956 9.730 -4.640 1.00 0.65 O ATOM 921 CB ASP A 62 -2.858 11.417 -1.936 1.00 1.00 C ATOM 922 CG ASP A 62 -2.958 12.917 -2.114 1.00 1.28 C ATOM 923 OD1 ASP A 62 -3.343 13.387 -3.185 1.00 1.97 O ATOM 924 OD2 ASP A 62 -2.586 13.653 -1.178 1.00 1.40 O ATOM 0 H ASP A 62 -0.510 12.290 -2.139 1.00 0.64 H new ATOM 0 HA ASP A 62 -1.648 9.739 -2.451 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -3.825 10.968 -2.164 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -2.644 11.198 -0.890 1.00 1.00 H new ATOM 929 N ASP A 63 -1.767 11.605 -5.092 1.00 0.57 N ATOM 930 CA ASP A 63 -2.029 11.591 -6.536 1.00 0.62 C ATOM 931 C ASP A 63 -1.469 10.321 -7.165 1.00 0.52 C ATOM 932 O ASP A 63 -2.055 9.750 -8.070 1.00 0.65 O ATOM 933 CB ASP A 63 -1.400 12.822 -7.216 1.00 0.78 C ATOM 934 CG ASP A 63 -1.578 12.823 -8.730 1.00 1.29 C ATOM 935 OD1 ASP A 63 -2.678 13.178 -9.211 1.00 1.94 O ATOM 936 OD2 ASP A 63 -0.615 12.481 -9.465 1.00 1.87 O ATOM 0 H ASP A 63 -1.200 12.394 -4.781 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.109 11.619 -6.683 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -1.847 13.726 -6.803 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.336 12.856 -6.981 1.00 0.78 H new ATOM 941 N VAL A 64 -0.348 9.876 -6.637 1.00 0.42 N ATOM 942 CA VAL A 64 0.341 8.698 -7.130 1.00 0.39 C ATOM 943 C VAL A 64 -0.284 7.436 -6.524 1.00 0.33 C ATOM 944 O VAL A 64 -0.508 6.448 -7.220 1.00 0.37 O ATOM 945 CB VAL A 64 1.846 8.758 -6.752 1.00 0.46 C ATOM 946 CG1 VAL A 64 2.613 7.582 -7.336 1.00 0.55 C ATOM 947 CG2 VAL A 64 2.461 10.071 -7.199 1.00 0.56 C ATOM 0 H VAL A 64 0.116 10.324 -5.847 1.00 0.42 H new ATOM 0 HA VAL A 64 0.245 8.668 -8.215 1.00 0.39 H new ATOM 0 HB VAL A 64 1.916 8.695 -5.666 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.663 7.655 -7.052 1.00 0.55 H new ATOM 0 HG12 VAL A 64 2.198 6.650 -6.952 1.00 0.55 H new ATOM 0 HG13 VAL A 64 2.529 7.596 -8.423 1.00 0.55 H new ATOM 0 HG21 VAL A 64 3.516 10.091 -6.924 1.00 0.56 H new ATOM 0 HG22 VAL A 64 2.366 10.168 -8.281 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.944 10.899 -6.714 1.00 0.56 H new ATOM 957 N ALA A 65 -0.556 7.493 -5.225 1.00 0.35 N ATOM 958 CA ALA A 65 -1.123 6.378 -4.478 1.00 0.38 C ATOM 959 C ALA A 65 -2.437 5.900 -5.078 1.00 0.43 C ATOM 960 O ALA A 65 -2.659 4.702 -5.213 1.00 0.47 O ATOM 961 CB ALA A 65 -1.324 6.778 -3.033 1.00 0.44 C ATOM 0 H ALA A 65 -0.387 8.323 -4.656 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.419 5.548 -4.534 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.748 5.940 -2.479 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.365 7.054 -2.595 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -2.004 7.628 -2.982 1.00 0.44 H new ATOM 967 N GLY A 66 -3.274 6.838 -5.495 1.00 0.49 N ATOM 968 CA GLY A 66 -4.563 6.483 -6.055 1.00 0.59 C ATOM 969 C GLY A 66 -4.486 6.050 -7.511 1.00 0.53 C ATOM 970 O GLY A 66 -5.481 6.086 -8.225 1.00 0.69 O ATOM 0 H GLY A 66 -3.084 7.839 -5.456 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.998 5.676 -5.465 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.235 7.337 -5.972 1.00 0.59 H new ATOM 974 N ARG A 67 -3.310 5.672 -7.964 1.00 0.45 N ATOM 975 CA ARG A 67 -3.135 5.221 -9.314 1.00 0.45 C ATOM 976 C ARG A 67 -2.791 3.738 -9.384 1.00 0.39 C ATOM 977 O ARG A 67 -2.800 3.150 -10.469 1.00 0.51 O ATOM 978 CB ARG A 67 -2.065 6.026 -10.019 1.00 0.56 C ATOM 979 CG ARG A 67 -2.430 7.477 -10.246 1.00 1.08 C ATOM 980 CD ARG A 67 -1.347 8.190 -11.027 1.00 1.48 C ATOM 981 NE ARG A 67 -1.135 7.571 -12.340 1.00 2.15 N ATOM 982 CZ ARG A 67 -0.262 7.990 -13.255 1.00 2.93 C ATOM 983 NH1 ARG A 67 0.500 9.054 -13.019 1.00 3.24 N ATOM 984 NH2 ARG A 67 -0.138 7.330 -14.408 1.00 3.83 N ATOM 0 H ARG A 67 -2.457 5.671 -7.405 1.00 0.45 H new ATOM 0 HA ARG A 67 -4.089 5.370 -9.820 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -1.147 5.981 -9.433 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.852 5.562 -10.982 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -3.374 7.538 -10.787 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -2.579 7.973 -9.287 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.620 9.237 -11.157 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -0.416 8.172 -10.460 1.00 1.48 H new ATOM 0 HE ARG A 67 -1.701 6.755 -12.571 1.00 2.15 H new ATOM 0 HH11 ARG A 67 0.418 9.554 -12.134 1.00 3.24 H new ATOM 0 HH12 ARG A 67 1.167 9.370 -13.723 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -0.711 6.506 -14.588 1.00 3.83 H new ATOM 0 HH22 ARG A 67 0.530 7.650 -15.109 1.00 3.83 H new ATOM 998 N VAL A 68 -2.488 3.119 -8.252 1.00 0.35 N ATOM 999 CA VAL A 68 -2.129 1.713 -8.285 1.00 0.34 C ATOM 1000 C VAL A 68 -3.355 0.812 -8.351 1.00 0.39 C ATOM 1001 O VAL A 68 -4.398 1.112 -7.763 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.136 1.266 -7.176 1.00 0.32 C ATOM 1003 CG1 VAL A 68 0.211 1.928 -7.387 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -1.651 1.576 -5.782 1.00 0.36 C ATOM 0 H VAL A 68 -2.483 3.552 -7.329 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.574 1.593 -9.215 1.00 0.34 H new ATOM 0 HB VAL A 68 -1.032 0.184 -7.252 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.900 1.609 -6.605 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.609 1.641 -8.360 1.00 0.33 H new ATOM 0 HG13 VAL A 68 0.094 3.011 -7.348 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -0.922 1.245 -5.043 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.807 2.650 -5.682 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.595 1.056 -5.619 1.00 0.36 H new ATOM 1014 N ASP A 69 -3.214 -0.277 -9.056 1.00 0.40 N ATOM 1015 CA ASP A 69 -4.324 -1.196 -9.341 1.00 0.49 C ATOM 1016 C ASP A 69 -4.206 -2.367 -8.407 1.00 0.40 C ATOM 1017 O ASP A 69 -5.145 -2.741 -7.676 1.00 0.39 O ATOM 1018 CB ASP A 69 -4.166 -1.711 -10.793 1.00 0.68 C ATOM 1019 CG ASP A 69 -5.313 -2.546 -11.321 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -5.282 -3.778 -11.139 1.00 0.86 O ATOM 1021 OD2 ASP A 69 -6.305 -1.977 -11.822 1.00 1.17 O ATOM 0 H ASP A 69 -2.324 -0.570 -9.460 1.00 0.40 H new ATOM 0 HA ASP A 69 -5.285 -0.697 -9.216 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -4.033 -0.852 -11.451 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -3.253 -2.303 -10.852 1.00 0.68 H new ATOM 1026 N THR A 70 -3.021 -2.891 -8.396 1.00 0.38 N ATOM 1027 CA THR A 70 -2.682 -4.048 -7.661 1.00 0.35 C ATOM 1028 C THR A 70 -1.623 -3.712 -6.604 1.00 0.33 C ATOM 1029 O THR A 70 -0.793 -2.810 -6.804 1.00 0.33 O ATOM 1030 CB THR A 70 -2.158 -5.128 -8.629 1.00 0.42 C ATOM 1031 OG1 THR A 70 -1.065 -4.598 -9.410 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.264 -5.571 -9.563 1.00 0.47 C ATOM 0 H THR A 70 -2.239 -2.502 -8.923 1.00 0.38 H new ATOM 0 HA THR A 70 -3.566 -4.426 -7.148 1.00 0.35 H new ATOM 0 HB THR A 70 -1.813 -5.981 -8.045 1.00 0.42 H new ATOM 0 HG1 THR A 70 -0.735 -5.289 -10.022 1.00 0.48 H new ATOM 0 HG21 THR A 70 -2.883 -6.334 -10.242 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.089 -5.983 -8.981 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.618 -4.716 -10.139 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.616 -4.439 -5.477 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.701 -4.184 -4.352 1.00 0.33 C ATOM 1042 C PRO A 71 0.775 -4.217 -4.758 1.00 0.29 C ATOM 1043 O PRO A 71 1.585 -3.480 -4.213 1.00 0.28 O ATOM 1044 CB PRO A 71 -1.000 -5.335 -3.392 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.387 -5.740 -3.723 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.520 -5.564 -5.192 1.00 0.39 C ATOM 0 HA PRO A 71 -0.855 -3.190 -3.931 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.301 -6.160 -3.531 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.916 -5.018 -2.353 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.572 -6.775 -3.435 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -3.112 -5.126 -3.188 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.227 -6.463 -5.734 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.547 -5.339 -5.480 1.00 0.39 H new ATOM 1054 N ARG A 72 1.102 -5.036 -5.757 1.00 0.31 N ATOM 1055 CA ARG A 72 2.483 -5.210 -6.219 1.00 0.31 C ATOM 1056 C ARG A 72 3.089 -3.887 -6.738 1.00 0.29 C ATOM 1057 O ARG A 72 4.297 -3.668 -6.662 1.00 0.31 O ATOM 1058 CB ARG A 72 2.577 -6.306 -7.292 1.00 0.36 C ATOM 1059 CG ARG A 72 1.822 -6.015 -8.578 1.00 0.48 C ATOM 1060 CD ARG A 72 2.083 -7.086 -9.623 1.00 0.58 C ATOM 1061 NE ARG A 72 1.490 -8.394 -9.292 1.00 1.01 N ATOM 1062 CZ ARG A 72 2.179 -9.550 -9.249 1.00 1.40 C ATOM 1063 NH1 ARG A 72 3.503 -9.544 -9.081 1.00 1.35 N ATOM 1064 NH2 ARG A 72 1.533 -10.704 -9.272 1.00 2.47 N ATOM 0 H ARG A 72 0.421 -5.597 -6.269 1.00 0.31 H new ATOM 0 HA ARG A 72 3.069 -5.524 -5.355 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.628 -6.467 -7.534 1.00 0.36 H new ATOM 0 HB3 ARG A 72 2.201 -7.238 -6.871 1.00 0.36 H new ATOM 0 HG2 ARG A 72 0.753 -5.959 -8.371 1.00 0.48 H new ATOM 0 HG3 ARG A 72 2.123 -5.042 -8.967 1.00 0.48 H new ATOM 0 HD2 ARG A 72 1.688 -6.750 -10.581 1.00 0.58 H new ATOM 0 HD3 ARG A 72 3.159 -7.206 -9.747 1.00 0.58 H new ATOM 0 HE ARG A 72 0.492 -8.426 -9.082 1.00 1.01 H new ATOM 0 HH11 ARG A 72 4.001 -8.659 -8.984 1.00 1.35 H new ATOM 0 HH12 ARG A 72 4.017 -10.424 -9.050 1.00 1.35 H new ATOM 0 HH21 ARG A 72 0.514 -10.717 -9.322 1.00 2.47 H new ATOM 0 HH22 ARG A 72 2.054 -11.581 -9.240 1.00 2.47 H new ATOM 1078 N GLU A 73 2.226 -3.013 -7.217 1.00 0.28 N ATOM 1079 CA GLU A 73 2.639 -1.728 -7.750 1.00 0.28 C ATOM 1080 C GLU A 73 2.899 -0.760 -6.612 1.00 0.25 C ATOM 1081 O GLU A 73 3.751 0.114 -6.708 1.00 0.25 O ATOM 1082 CB GLU A 73 1.551 -1.200 -8.654 1.00 0.33 C ATOM 1083 CG GLU A 73 1.207 -2.176 -9.745 1.00 0.45 C ATOM 1084 CD GLU A 73 -0.009 -1.794 -10.510 1.00 1.15 C ATOM 1085 OE1 GLU A 73 -1.098 -1.867 -9.939 1.00 2.06 O ATOM 1086 OE2 GLU A 73 0.103 -1.460 -11.703 1.00 1.24 O ATOM 0 H GLU A 73 1.219 -3.173 -7.248 1.00 0.28 H new ATOM 0 HA GLU A 73 3.559 -1.841 -8.323 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.660 -0.986 -8.064 1.00 0.33 H new ATOM 0 HB3 GLU A 73 1.873 -0.258 -9.098 1.00 0.33 H new ATOM 0 HG2 GLU A 73 2.050 -2.256 -10.431 1.00 0.45 H new ATOM 0 HG3 GLU A 73 1.058 -3.163 -9.307 1.00 0.45 H new ATOM 1093 N LEU A 74 2.186 -0.959 -5.515 1.00 0.27 N ATOM 1094 CA LEU A 74 2.359 -0.140 -4.331 1.00 0.27 C ATOM 1095 C LEU A 74 3.756 -0.470 -3.748 1.00 0.25 C ATOM 1096 O LEU A 74 4.484 0.415 -3.296 1.00 0.25 O ATOM 1097 CB LEU A 74 1.194 -0.423 -3.315 1.00 0.30 C ATOM 1098 CG LEU A 74 0.994 0.558 -2.116 1.00 0.34 C ATOM 1099 CD1 LEU A 74 2.126 0.490 -1.128 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.806 1.982 -2.612 1.00 1.00 C ATOM 0 H LEU A 74 1.477 -1.687 -5.422 1.00 0.27 H new ATOM 0 HA LEU A 74 2.313 0.925 -4.560 1.00 0.27 H new ATOM 0 HB2 LEU A 74 0.262 -0.451 -3.879 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.348 -1.421 -2.904 1.00 0.30 H new ATOM 0 HG LEU A 74 0.090 0.243 -1.594 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.940 1.190 -0.313 1.00 0.98 H new ATOM 0 HD12 LEU A 74 2.199 -0.521 -0.728 1.00 0.98 H new ATOM 0 HD13 LEU A 74 3.060 0.752 -1.626 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.668 2.649 -1.761 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.687 2.290 -3.176 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.072 2.030 -3.256 1.00 1.00 H new ATOM 1112 N LEU A 75 4.124 -1.762 -3.823 1.00 0.29 N ATOM 1113 CA LEU A 75 5.478 -2.225 -3.439 1.00 0.34 C ATOM 1114 C LEU A 75 6.526 -1.482 -4.217 1.00 0.29 C ATOM 1115 O LEU A 75 7.490 -0.985 -3.657 1.00 0.30 O ATOM 1116 CB LEU A 75 5.682 -3.710 -3.749 1.00 0.49 C ATOM 1117 CG LEU A 75 5.276 -4.741 -2.719 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.017 -4.527 -1.415 1.00 0.43 C ATOM 1119 CD2 LEU A 75 3.791 -4.804 -2.497 1.00 0.90 C ATOM 0 H LEU A 75 3.506 -2.507 -4.145 1.00 0.29 H new ATOM 0 HA LEU A 75 5.569 -2.047 -2.367 1.00 0.34 H new ATOM 0 HB2 LEU A 75 5.138 -3.931 -4.667 1.00 0.49 H new ATOM 0 HB3 LEU A 75 6.741 -3.858 -3.962 1.00 0.49 H new ATOM 0 HG LEU A 75 5.562 -5.711 -3.126 1.00 0.42 H new ATOM 0 HD11 LEU A 75 5.707 -5.281 -0.692 1.00 0.43 H new ATOM 0 HD12 LEU A 75 7.090 -4.610 -1.588 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.788 -3.535 -1.025 1.00 0.43 H new ATOM 0 HD21 LEU A 75 3.567 -5.563 -1.747 1.00 0.90 H new ATOM 0 HD22 LEU A 75 3.434 -3.834 -2.150 1.00 0.90 H new ATOM 0 HD23 LEU A 75 3.294 -5.061 -3.432 1.00 0.90 H new ATOM 1131 N ASP A 76 6.310 -1.418 -5.512 1.00 0.29 N ATOM 1132 CA ASP A 76 7.240 -0.774 -6.458 1.00 0.33 C ATOM 1133 C ASP A 76 7.433 0.678 -6.120 1.00 0.29 C ATOM 1134 O ASP A 76 8.560 1.176 -6.118 1.00 0.33 O ATOM 1135 CB ASP A 76 6.757 -0.914 -7.902 1.00 0.40 C ATOM 1136 CG ASP A 76 7.654 -0.185 -8.889 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.789 -0.652 -9.143 1.00 0.70 O ATOM 1138 OD2 ASP A 76 7.242 0.869 -9.414 1.00 0.63 O ATOM 0 H ASP A 76 5.481 -1.810 -5.958 1.00 0.29 H new ATOM 0 HA ASP A 76 8.198 -1.286 -6.367 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.714 -1.971 -8.167 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.742 -0.524 -7.982 1.00 0.40 H new ATOM 1143 N LEU A 77 6.329 1.349 -5.814 1.00 0.25 N ATOM 1144 CA LEU A 77 6.349 2.742 -5.391 1.00 0.25 C ATOM 1145 C LEU A 77 7.302 2.928 -4.217 1.00 0.26 C ATOM 1146 O LEU A 77 8.165 3.826 -4.230 1.00 0.32 O ATOM 1147 CB LEU A 77 4.952 3.187 -4.980 1.00 0.26 C ATOM 1148 CG LEU A 77 3.900 3.294 -6.078 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.597 3.815 -5.494 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.383 4.192 -7.209 1.00 0.38 C ATOM 0 H LEU A 77 5.395 0.942 -5.852 1.00 0.25 H new ATOM 0 HA LEU A 77 6.691 3.349 -6.230 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.584 2.490 -4.227 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.037 4.161 -4.498 1.00 0.26 H new ATOM 0 HG LEU A 77 3.727 2.302 -6.494 1.00 0.31 H new ATOM 0 HD11 LEU A 77 1.849 3.890 -6.283 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.244 3.130 -4.723 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.762 4.800 -5.057 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.614 4.252 -7.980 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.585 5.190 -6.820 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.295 3.778 -7.638 1.00 0.38 H new ATOM 1162 N ILE A 78 7.151 2.063 -3.221 1.00 0.25 N ATOM 1163 CA ILE A 78 8.002 2.064 -2.042 1.00 0.29 C ATOM 1164 C ILE A 78 9.435 1.729 -2.444 1.00 0.34 C ATOM 1165 O ILE A 78 10.337 2.500 -2.191 1.00 0.40 O ATOM 1166 CB ILE A 78 7.519 1.011 -1.006 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.094 1.321 -0.519 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.490 0.922 0.180 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.951 2.636 0.221 1.00 0.46 C ATOM 0 H ILE A 78 6.432 1.340 -3.210 1.00 0.25 H new ATOM 0 HA ILE A 78 7.954 3.055 -1.592 1.00 0.29 H new ATOM 0 HB ILE A 78 7.500 0.042 -1.505 1.00 0.33 H new ATOM 0 HG12 ILE A 78 5.424 1.329 -1.379 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.764 0.514 0.135 1.00 0.36 H new ATOM 0 HG21 ILE A 78 8.129 0.178 0.891 1.00 0.43 H new ATOM 0 HG22 ILE A 78 9.477 0.632 -0.179 1.00 0.43 H new ATOM 0 HG23 ILE A 78 8.554 1.893 0.672 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.913 2.771 0.527 1.00 0.46 H new ATOM 0 HD12 ILE A 78 6.591 2.628 1.103 1.00 0.46 H new ATOM 0 HD13 ILE A 78 6.246 3.456 -0.434 1.00 0.46 H new ATOM 1181 N ASN A 79 9.610 0.561 -3.067 1.00 0.37 N ATOM 1182 CA ASN A 79 10.926 0.032 -3.480 1.00 0.46 C ATOM 1183 C ASN A 79 11.736 1.057 -4.241 1.00 0.40 C ATOM 1184 O ASN A 79 12.903 1.269 -3.932 1.00 0.45 O ATOM 1185 CB ASN A 79 10.782 -1.253 -4.322 1.00 0.62 C ATOM 1186 CG ASN A 79 10.518 -2.540 -3.523 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.848 -3.628 -3.978 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.980 -2.431 -2.325 1.00 0.56 N ATOM 0 H ASN A 79 8.835 -0.058 -3.305 1.00 0.37 H new ATOM 0 HA ASN A 79 11.461 -0.211 -2.562 1.00 0.46 H new ATOM 0 HB2 ASN A 79 9.967 -1.112 -5.031 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.693 -1.388 -4.906 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.830 -3.264 -1.755 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.713 -1.514 -1.967 1.00 0.56 H new ATOM 1195 N GLY A 80 11.096 1.720 -5.192 1.00 0.38 N ATOM 1196 CA GLY A 80 11.755 2.735 -5.979 1.00 0.41 C ATOM 1197 C GLY A 80 12.265 3.884 -5.123 1.00 0.45 C ATOM 1198 O GLY A 80 13.450 4.197 -5.137 1.00 0.55 O ATOM 0 H GLY A 80 10.117 1.568 -5.433 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.590 2.288 -6.520 1.00 0.41 H new ATOM 0 HA3 GLY A 80 11.061 3.121 -6.726 1.00 0.41 H new ATOM 1202 N ALA A 81 11.378 4.464 -4.332 1.00 0.44 N ATOM 1203 CA ALA A 81 11.715 5.599 -3.474 1.00 0.51 C ATOM 1204 C ALA A 81 12.717 5.200 -2.393 1.00 0.54 C ATOM 1205 O ALA A 81 13.602 5.968 -2.032 1.00 0.69 O ATOM 1206 CB ALA A 81 10.457 6.176 -2.838 1.00 0.52 C ATOM 0 H ALA A 81 10.405 4.166 -4.263 1.00 0.44 H new ATOM 0 HA ALA A 81 12.179 6.363 -4.098 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.725 7.020 -2.202 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.776 6.512 -3.619 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.969 5.409 -2.236 1.00 0.52 H new ATOM 1212 N LEU A 82 12.597 3.986 -1.916 1.00 0.44 N ATOM 1213 CA LEU A 82 13.437 3.474 -0.876 1.00 0.50 C ATOM 1214 C LEU A 82 14.848 3.194 -1.403 1.00 0.60 C ATOM 1215 O LEU A 82 15.828 3.360 -0.687 1.00 0.70 O ATOM 1216 CB LEU A 82 12.788 2.225 -0.303 1.00 0.48 C ATOM 1217 CG LEU A 82 13.492 1.560 0.846 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.616 2.507 2.045 1.00 0.60 C ATOM 1219 CD2 LEU A 82 12.763 0.299 1.228 1.00 0.66 C ATOM 0 H LEU A 82 11.900 3.320 -2.249 1.00 0.44 H new ATOM 0 HA LEU A 82 13.543 4.214 -0.083 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.780 2.484 0.021 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.687 1.496 -1.107 1.00 0.48 H new ATOM 0 HG LEU A 82 14.503 1.301 0.531 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.130 1.997 2.860 1.00 0.60 H new ATOM 0 HD12 LEU A 82 14.185 3.390 1.754 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.622 2.808 2.375 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.277 -0.180 2.061 1.00 0.66 H new ATOM 0 HD22 LEU A 82 11.743 0.544 1.523 1.00 0.66 H new ATOM 0 HD23 LEU A 82 12.741 -0.381 0.376 1.00 0.66 H new ATOM 1231 N ALA A 83 14.944 2.819 -2.666 1.00 0.64 N ATOM 1232 CA ALA A 83 16.235 2.590 -3.298 1.00 0.79 C ATOM 1233 C ALA A 83 16.946 3.923 -3.530 1.00 0.95 C ATOM 1234 O ALA A 83 18.168 3.990 -3.629 1.00 1.13 O ATOM 1235 CB ALA A 83 16.065 1.841 -4.617 1.00 0.86 C ATOM 0 H ALA A 83 14.142 2.666 -3.277 1.00 0.64 H new ATOM 0 HA ALA A 83 16.843 1.975 -2.634 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.042 1.680 -5.073 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.589 0.878 -4.430 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.442 2.429 -5.292 1.00 0.86 H new ATOM 1241 N GLU A 84 16.168 4.983 -3.610 1.00 0.95 N ATOM 1242 CA GLU A 84 16.673 6.309 -3.770 1.00 1.17 C ATOM 1243 C GLU A 84 17.144 6.845 -2.419 1.00 1.25 C ATOM 1244 O GLU A 84 18.095 7.610 -2.345 1.00 1.52 O ATOM 1245 CB GLU A 84 15.568 7.206 -4.321 1.00 1.23 C ATOM 1246 CG GLU A 84 15.056 6.845 -5.717 1.00 1.40 C ATOM 1247 CD GLU A 84 16.080 7.013 -6.820 1.00 1.80 C ATOM 1248 OE1 GLU A 84 17.164 7.592 -6.577 1.00 2.17 O ATOM 1249 OE2 GLU A 84 15.796 6.615 -7.970 1.00 2.47 O ATOM 0 H GLU A 84 15.150 4.934 -3.564 1.00 0.95 H new ATOM 0 HA GLU A 84 17.513 6.298 -4.464 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.727 7.183 -3.628 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.935 8.232 -4.343 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.714 5.810 -5.709 1.00 1.40 H new ATOM 0 HG3 GLU A 84 14.189 7.465 -5.945 1.00 1.40 H new