USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 556 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 -163:sc= 1.21 USER MOD Set 1.2: A 48 THR OG1 : rot 74:sc= 2.14 USER MOD Single : A 6 THR OG1 : rot 119:sc= 1.26 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0579 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -164:sc= -1.9! USER MOD Single : A 42 SER OG : rot 180:sc= -0.189 USER MOD Single : A 46 MET CE :methyl -161:sc= -0.185 (180deg=-0.814) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 90:sc= -1.02 USER MOD Single : A 59 SER OG : rot 34:sc= 0.0106 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 79 ASN : amide:sc= 0.629 K(o=0.63,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.871 9.172 -0.129 1.00 0.64 N ATOM 45 CA LEU A 4 -10.268 7.990 -0.727 1.00 0.51 C ATOM 46 C LEU A 4 -8.793 7.885 -0.360 1.00 0.45 C ATOM 47 O LEU A 4 -8.227 8.786 0.264 1.00 0.52 O ATOM 48 CB LEU A 4 -10.410 8.041 -2.251 1.00 0.57 C ATOM 49 CG LEU A 4 -11.847 8.087 -2.784 1.00 0.58 C ATOM 50 CD1 LEU A 4 -11.852 8.147 -4.304 1.00 0.88 C ATOM 51 CD2 LEU A 4 -12.635 6.880 -2.300 1.00 0.84 C ATOM 0 HA LEU A 4 -10.788 7.114 -0.340 1.00 0.51 H new ATOM 0 HB2 LEU A 4 -9.878 8.919 -2.618 1.00 0.57 H new ATOM 0 HB3 LEU A 4 -9.913 7.167 -2.673 1.00 0.57 H new ATOM 0 HG LEU A 4 -12.325 8.989 -2.401 1.00 0.58 H new ATOM 0 HD11 LEU A 4 -12.881 8.179 -4.663 1.00 0.88 H new ATOM 0 HD12 LEU A 4 -11.324 9.041 -4.635 1.00 0.88 H new ATOM 0 HD13 LEU A 4 -11.355 7.263 -4.705 1.00 0.88 H new ATOM 0 HD21 LEU A 4 -13.652 6.930 -2.688 1.00 0.84 H new ATOM 0 HD22 LEU A 4 -12.156 5.967 -2.654 1.00 0.84 H new ATOM 0 HD23 LEU A 4 -12.662 6.876 -1.210 1.00 0.84 H new ATOM 63 N LEU A 5 -8.189 6.781 -0.757 1.00 0.39 N ATOM 64 CA LEU A 5 -6.757 6.594 -0.635 1.00 0.35 C ATOM 65 C LEU A 5 -6.071 7.241 -1.832 1.00 0.35 C ATOM 66 O LEU A 5 -6.355 6.898 -2.978 1.00 0.41 O ATOM 67 CB LEU A 5 -6.448 5.089 -0.561 1.00 0.38 C ATOM 68 CG LEU A 5 -5.010 4.665 -0.885 1.00 0.58 C ATOM 69 CD1 LEU A 5 -4.009 5.351 0.029 1.00 1.00 C ATOM 70 CD2 LEU A 5 -4.874 3.155 -0.778 1.00 0.98 C ATOM 0 H LEU A 5 -8.678 5.989 -1.173 1.00 0.39 H new ATOM 0 HA LEU A 5 -6.384 7.064 0.275 1.00 0.35 H new ATOM 0 HB2 LEU A 5 -6.687 4.741 0.444 1.00 0.38 H new ATOM 0 HB3 LEU A 5 -7.118 4.570 -1.246 1.00 0.38 H new ATOM 0 HG LEU A 5 -4.791 4.972 -1.908 1.00 0.58 H new ATOM 0 HD11 LEU A 5 -3.000 5.028 -0.228 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -4.086 6.431 -0.093 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.222 5.087 1.065 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -3.849 2.865 -1.010 1.00 0.98 H new ATOM 0 HD22 LEU A 5 -5.120 2.838 0.236 1.00 0.98 H new ATOM 0 HD23 LEU A 5 -5.555 2.678 -1.483 1.00 0.98 H new ATOM 82 N THR A 6 -5.190 8.188 -1.572 1.00 0.39 N ATOM 83 CA THR A 6 -4.492 8.877 -2.637 1.00 0.49 C ATOM 84 C THR A 6 -3.030 8.448 -2.750 1.00 0.42 C ATOM 85 O THR A 6 -2.515 7.704 -1.911 1.00 0.41 O ATOM 86 CB THR A 6 -4.579 10.397 -2.439 1.00 0.69 C ATOM 87 OG1 THR A 6 -5.141 10.684 -1.151 1.00 1.21 O ATOM 88 CG2 THR A 6 -5.445 11.024 -3.513 1.00 1.03 C ATOM 0 H THR A 6 -4.942 8.497 -0.632 1.00 0.39 H new ATOM 0 HA THR A 6 -4.985 8.602 -3.569 1.00 0.49 H new ATOM 0 HB THR A 6 -3.574 10.814 -2.506 1.00 0.69 H new ATOM 0 HG1 THR A 6 -4.494 11.191 -0.617 1.00 1.21 H new ATOM 0 HG21 THR A 6 -5.495 12.102 -3.357 1.00 1.03 H new ATOM 0 HG22 THR A 6 -5.014 10.819 -4.493 1.00 1.03 H new ATOM 0 HG23 THR A 6 -6.449 10.603 -3.463 1.00 1.03 H new ATOM 96 N THR A 7 -2.374 8.933 -3.798 1.00 0.47 N ATOM 97 CA THR A 7 -0.982 8.617 -4.079 1.00 0.45 C ATOM 98 C THR A 7 -0.069 8.955 -2.899 1.00 0.34 C ATOM 99 O THR A 7 0.650 8.093 -2.389 1.00 0.33 O ATOM 100 CB THR A 7 -0.532 9.391 -5.328 1.00 0.59 C ATOM 101 OG1 THR A 7 -1.188 10.667 -5.351 1.00 1.30 O ATOM 102 CG2 THR A 7 -0.867 8.619 -6.594 1.00 1.06 C ATOM 0 H THR A 7 -2.798 9.561 -4.481 1.00 0.47 H new ATOM 0 HA THR A 7 -0.905 7.544 -4.252 1.00 0.45 H new ATOM 0 HB THR A 7 0.549 9.527 -5.288 1.00 0.59 H new ATOM 0 HG1 THR A 7 -0.904 11.167 -6.145 1.00 1.30 H new ATOM 0 HG21 THR A 7 -0.539 9.187 -7.464 1.00 1.06 H new ATOM 0 HG22 THR A 7 -0.359 7.655 -6.577 1.00 1.06 H new ATOM 0 HG23 THR A 7 -1.944 8.461 -6.649 1.00 1.06 H new ATOM 110 N ASP A 8 -0.101 10.214 -2.474 1.00 0.41 N ATOM 111 CA ASP A 8 0.734 10.680 -1.367 1.00 0.46 C ATOM 112 C ASP A 8 0.417 9.932 -0.081 1.00 0.40 C ATOM 113 O ASP A 8 1.317 9.595 0.687 1.00 0.48 O ATOM 114 CB ASP A 8 0.557 12.183 -1.149 1.00 0.64 C ATOM 115 CG ASP A 8 1.153 13.001 -2.274 1.00 1.36 C ATOM 116 OD1 ASP A 8 2.385 13.213 -2.273 1.00 1.63 O ATOM 117 OD2 ASP A 8 0.399 13.426 -3.174 1.00 2.19 O ATOM 0 H ASP A 8 -0.698 10.934 -2.880 1.00 0.41 H new ATOM 0 HA ASP A 8 1.771 10.480 -1.635 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.505 12.412 -1.059 1.00 0.64 H new ATOM 0 HB3 ASP A 8 1.026 12.469 -0.207 1.00 0.64 H new ATOM 122 N ASP A 9 -0.865 9.660 0.133 1.00 0.40 N ATOM 123 CA ASP A 9 -1.321 8.944 1.321 1.00 0.44 C ATOM 124 C ASP A 9 -0.713 7.553 1.383 1.00 0.38 C ATOM 125 O ASP A 9 -0.238 7.127 2.436 1.00 0.44 O ATOM 126 CB ASP A 9 -2.845 8.841 1.334 1.00 0.58 C ATOM 127 CG ASP A 9 -3.515 10.181 1.531 1.00 0.86 C ATOM 128 OD1 ASP A 9 -3.362 11.056 0.650 1.00 1.12 O ATOM 129 OD2 ASP A 9 -4.209 10.358 2.552 1.00 1.12 O ATOM 0 H ASP A 9 -1.614 9.927 -0.506 1.00 0.40 H new ATOM 0 HA ASP A 9 -0.995 9.507 2.195 1.00 0.44 H new ATOM 0 HB2 ASP A 9 -3.184 8.404 0.395 1.00 0.58 H new ATOM 0 HB3 ASP A 9 -3.153 8.164 2.131 1.00 0.58 H new ATOM 134 N LEU A 10 -0.725 6.853 0.258 1.00 0.35 N ATOM 135 CA LEU A 10 -0.097 5.543 0.181 1.00 0.37 C ATOM 136 C LEU A 10 1.405 5.672 0.404 1.00 0.37 C ATOM 137 O LEU A 10 1.991 4.923 1.175 1.00 0.42 O ATOM 138 CB LEU A 10 -0.362 4.882 -1.174 1.00 0.42 C ATOM 139 CG LEU A 10 0.242 3.482 -1.341 1.00 0.58 C ATOM 140 CD1 LEU A 10 -0.445 2.489 -0.417 1.00 1.08 C ATOM 141 CD2 LEU A 10 0.145 3.024 -2.790 1.00 0.79 C ATOM 0 H LEU A 10 -1.160 7.168 -0.609 1.00 0.35 H new ATOM 0 HA LEU A 10 -0.529 4.915 0.960 1.00 0.37 H new ATOM 0 HB2 LEU A 10 -1.440 4.817 -1.325 1.00 0.42 H new ATOM 0 HB3 LEU A 10 0.032 5.527 -1.959 1.00 0.42 H new ATOM 0 HG LEU A 10 1.296 3.530 -1.069 1.00 0.58 H new ATOM 0 HD11 LEU A 10 -0.003 1.502 -0.550 1.00 1.08 H new ATOM 0 HD12 LEU A 10 -0.318 2.807 0.618 1.00 1.08 H new ATOM 0 HD13 LEU A 10 -1.508 2.445 -0.655 1.00 1.08 H new ATOM 0 HD21 LEU A 10 0.579 2.029 -2.887 1.00 0.79 H new ATOM 0 HD22 LEU A 10 -0.902 2.995 -3.093 1.00 0.79 H new ATOM 0 HD23 LEU A 10 0.688 3.720 -3.429 1.00 0.79 H new ATOM 153 N ARG A 11 2.015 6.645 -0.269 1.00 0.37 N ATOM 154 CA ARG A 11 3.454 6.885 -0.162 1.00 0.45 C ATOM 155 C ARG A 11 3.886 7.096 1.290 1.00 0.48 C ATOM 156 O ARG A 11 4.988 6.714 1.678 1.00 0.60 O ATOM 157 CB ARG A 11 3.858 8.089 -1.023 1.00 0.52 C ATOM 158 CG ARG A 11 5.332 8.446 -0.922 1.00 0.67 C ATOM 159 CD ARG A 11 5.793 9.306 -2.088 1.00 0.85 C ATOM 160 NE ARG A 11 5.134 10.609 -2.152 1.00 1.04 N ATOM 161 CZ ARG A 11 5.634 11.642 -2.832 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.799 11.516 -3.460 1.00 1.64 N ATOM 163 NH2 ARG A 11 4.983 12.795 -2.879 1.00 2.17 N ATOM 0 H ARG A 11 1.532 7.285 -0.899 1.00 0.37 H new ATOM 0 HA ARG A 11 3.967 5.997 -0.531 1.00 0.45 H new ATOM 0 HB2 ARG A 11 3.615 7.877 -2.064 1.00 0.52 H new ATOM 0 HB3 ARG A 11 3.263 8.953 -0.726 1.00 0.52 H new ATOM 0 HG2 ARG A 11 5.513 8.976 0.013 1.00 0.67 H new ATOM 0 HG3 ARG A 11 5.925 7.532 -0.890 1.00 0.67 H new ATOM 0 HD2 ARG A 11 6.870 9.456 -2.014 1.00 0.85 H new ATOM 0 HD3 ARG A 11 5.609 8.769 -3.019 1.00 0.85 H new ATOM 0 HE ARG A 11 4.252 10.734 -1.654 1.00 1.04 H new ATOM 0 HH11 ARG A 11 7.307 10.632 -3.421 1.00 1.64 H new ATOM 0 HH12 ARG A 11 7.185 12.303 -3.981 1.00 1.64 H new ATOM 0 HH21 ARG A 11 4.092 12.898 -2.393 1.00 2.17 H new ATOM 0 HH22 ARG A 11 5.373 13.580 -3.401 1.00 2.17 H new ATOM 177 N ARG A 12 3.022 7.705 2.090 1.00 0.43 N ATOM 178 CA ARG A 12 3.314 7.916 3.500 1.00 0.46 C ATOM 179 C ARG A 12 3.267 6.602 4.276 1.00 0.44 C ATOM 180 O ARG A 12 4.048 6.399 5.201 1.00 0.46 O ATOM 181 CB ARG A 12 2.334 8.922 4.105 1.00 0.53 C ATOM 182 CG ARG A 12 2.492 10.343 3.574 1.00 0.91 C ATOM 183 CD ARG A 12 3.812 10.974 4.003 1.00 1.49 C ATOM 184 NE ARG A 12 4.969 10.379 3.330 1.00 2.06 N ATOM 185 CZ ARG A 12 6.230 10.777 3.519 1.00 2.93 C ATOM 186 NH1 ARG A 12 6.519 11.712 4.412 1.00 3.32 N ATOM 187 NH2 ARG A 12 7.209 10.223 2.817 1.00 3.66 N ATOM 0 H ARG A 12 2.115 8.061 1.787 1.00 0.43 H new ATOM 0 HA ARG A 12 4.324 8.319 3.575 1.00 0.46 H new ATOM 0 HB2 ARG A 12 1.316 8.584 3.910 1.00 0.53 H new ATOM 0 HB3 ARG A 12 2.464 8.934 5.187 1.00 0.53 H new ATOM 0 HG2 ARG A 12 2.434 10.331 2.486 1.00 0.91 H new ATOM 0 HG3 ARG A 12 1.665 10.957 3.931 1.00 0.91 H new ATOM 0 HD2 ARG A 12 3.784 12.043 3.792 1.00 1.49 H new ATOM 0 HD3 ARG A 12 3.928 10.865 5.081 1.00 1.49 H new ATOM 0 HE ARG A 12 4.801 9.614 2.677 1.00 2.06 H new ATOM 0 HH11 ARG A 12 5.774 12.137 4.965 1.00 3.32 H new ATOM 0 HH12 ARG A 12 7.486 12.007 4.547 1.00 3.32 H new ATOM 0 HH21 ARG A 12 6.998 9.495 2.135 1.00 3.66 H new ATOM 0 HH22 ARG A 12 8.173 10.525 2.959 1.00 3.66 H new ATOM 201 N ALA A 13 2.382 5.701 3.867 1.00 0.43 N ATOM 202 CA ALA A 13 2.200 4.428 4.563 1.00 0.44 C ATOM 203 C ALA A 13 3.472 3.581 4.521 1.00 0.43 C ATOM 204 O ALA A 13 3.829 2.933 5.506 1.00 0.47 O ATOM 205 CB ALA A 13 1.032 3.666 3.956 1.00 0.49 C ATOM 0 H ALA A 13 1.777 5.826 3.056 1.00 0.43 H new ATOM 0 HA ALA A 13 1.981 4.642 5.609 1.00 0.44 H new ATOM 0 HB1 ALA A 13 0.903 2.719 4.480 1.00 0.49 H new ATOM 0 HB2 ALA A 13 0.122 4.259 4.050 1.00 0.49 H new ATOM 0 HB3 ALA A 13 1.232 3.473 2.902 1.00 0.49 H new ATOM 211 N LEU A 14 4.163 3.604 3.385 1.00 0.41 N ATOM 212 CA LEU A 14 5.408 2.852 3.227 1.00 0.45 C ATOM 213 C LEU A 14 6.502 3.432 4.127 1.00 0.47 C ATOM 214 O LEU A 14 7.444 2.740 4.525 1.00 0.53 O ATOM 215 CB LEU A 14 5.879 2.864 1.762 1.00 0.49 C ATOM 216 CG LEU A 14 5.081 1.992 0.776 1.00 0.51 C ATOM 217 CD1 LEU A 14 4.830 0.606 1.347 1.00 0.79 C ATOM 218 CD2 LEU A 14 3.770 2.651 0.392 1.00 0.70 C ATOM 0 H LEU A 14 3.884 4.134 2.560 1.00 0.41 H new ATOM 0 HA LEU A 14 5.214 1.820 3.520 1.00 0.45 H new ATOM 0 HB2 LEU A 14 5.854 3.893 1.404 1.00 0.49 H new ATOM 0 HB3 LEU A 14 6.920 2.543 1.736 1.00 0.49 H new ATOM 0 HG LEU A 14 5.685 1.887 -0.125 1.00 0.51 H new ATOM 0 HD11 LEU A 14 4.264 0.013 0.628 1.00 0.79 H new ATOM 0 HD12 LEU A 14 5.783 0.118 1.550 1.00 0.79 H new ATOM 0 HD13 LEU A 14 4.262 0.692 2.273 1.00 0.79 H new ATOM 0 HD21 LEU A 14 3.231 2.010 -0.305 1.00 0.70 H new ATOM 0 HD22 LEU A 14 3.165 2.805 1.285 1.00 0.70 H new ATOM 0 HD23 LEU A 14 3.971 3.612 -0.081 1.00 0.70 H new ATOM 230 N VAL A 15 6.357 4.707 4.455 1.00 0.50 N ATOM 231 CA VAL A 15 7.324 5.403 5.289 1.00 0.57 C ATOM 232 C VAL A 15 7.017 5.170 6.765 1.00 0.60 C ATOM 233 O VAL A 15 7.896 5.267 7.620 1.00 0.71 O ATOM 234 CB VAL A 15 7.343 6.915 4.975 1.00 0.60 C ATOM 235 CG1 VAL A 15 8.382 7.647 5.814 1.00 0.70 C ATOM 236 CG2 VAL A 15 7.609 7.135 3.497 1.00 0.60 C ATOM 0 H VAL A 15 5.572 5.284 4.153 1.00 0.50 H new ATOM 0 HA VAL A 15 8.313 5.000 5.068 1.00 0.57 H new ATOM 0 HB VAL A 15 6.365 7.324 5.229 1.00 0.60 H new ATOM 0 HG11 VAL A 15 8.367 8.708 5.567 1.00 0.70 H new ATOM 0 HG12 VAL A 15 8.152 7.518 6.872 1.00 0.70 H new ATOM 0 HG13 VAL A 15 9.371 7.239 5.605 1.00 0.70 H new ATOM 0 HG21 VAL A 15 7.621 8.204 3.285 1.00 0.60 H new ATOM 0 HG22 VAL A 15 8.574 6.702 3.233 1.00 0.60 H new ATOM 0 HG23 VAL A 15 6.824 6.657 2.911 1.00 0.60 H new ATOM 246 N GLU A 16 5.767 4.848 7.053 1.00 0.59 N ATOM 247 CA GLU A 16 5.359 4.507 8.408 1.00 0.70 C ATOM 248 C GLU A 16 5.840 3.109 8.788 1.00 0.75 C ATOM 249 O GLU A 16 6.189 2.857 9.941 1.00 0.92 O ATOM 250 CB GLU A 16 3.841 4.593 8.533 1.00 0.86 C ATOM 251 CG GLU A 16 3.296 6.003 8.375 1.00 0.96 C ATOM 252 CD GLU A 16 1.784 6.047 8.385 1.00 1.17 C ATOM 253 OE1 GLU A 16 1.191 5.952 9.483 1.00 1.49 O ATOM 254 OE2 GLU A 16 1.183 6.171 7.299 1.00 1.28 O ATOM 0 H GLU A 16 5.014 4.815 6.365 1.00 0.59 H new ATOM 0 HA GLU A 16 5.815 5.221 9.093 1.00 0.70 H new ATOM 0 HB2 GLU A 16 3.386 3.950 7.780 1.00 0.86 H new ATOM 0 HB3 GLU A 16 3.542 4.204 9.506 1.00 0.86 H new ATOM 0 HG2 GLU A 16 3.679 6.629 9.181 1.00 0.96 H new ATOM 0 HG3 GLU A 16 3.662 6.427 7.440 1.00 0.96 H new ATOM 261 N SER A 17 5.860 2.205 7.817 1.00 0.68 N ATOM 262 CA SER A 17 6.313 0.845 8.057 1.00 0.78 C ATOM 263 C SER A 17 7.837 0.749 7.998 1.00 0.80 C ATOM 264 O SER A 17 8.487 0.396 8.984 1.00 1.05 O ATOM 265 CB SER A 17 5.676 -0.098 7.038 1.00 0.81 C ATOM 266 OG SER A 17 5.840 0.396 5.718 1.00 1.25 O ATOM 0 H SER A 17 5.568 2.391 6.858 1.00 0.68 H new ATOM 0 HA SER A 17 6.004 0.551 9.060 1.00 0.78 H new ATOM 0 HB2 SER A 17 6.128 -1.086 7.119 1.00 0.81 H new ATOM 0 HB3 SER A 17 4.615 -0.214 7.258 1.00 0.81 H new ATOM 0 HG SER A 17 5.214 -0.060 5.118 1.00 1.25 H new ATOM 272 N ALA A 18 8.402 1.065 6.841 1.00 0.74 N ATOM 273 CA ALA A 18 9.843 0.989 6.653 1.00 0.87 C ATOM 274 C ALA A 18 10.473 2.371 6.774 1.00 1.11 C ATOM 275 O ALA A 18 11.359 2.597 7.602 1.00 1.68 O ATOM 276 CB ALA A 18 10.171 0.363 5.304 1.00 1.09 C ATOM 0 H ALA A 18 7.884 1.376 6.019 1.00 0.74 H new ATOM 0 HA ALA A 18 10.261 0.355 7.436 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.253 0.314 5.179 1.00 1.09 H new ATOM 0 HB2 ALA A 18 9.754 -0.643 5.259 1.00 1.09 H new ATOM 0 HB3 ALA A 18 9.741 0.970 4.507 1.00 1.09 H new ATOM 363 N LEU A 26 11.024 7.172 -2.925 1.00 1.15 N ATOM 364 CA LEU A 26 9.628 7.254 -3.331 1.00 1.01 C ATOM 365 C LEU A 26 9.296 8.647 -3.858 1.00 1.04 C ATOM 366 O LEU A 26 8.128 8.972 -4.103 1.00 1.18 O ATOM 367 CB LEU A 26 8.698 6.906 -2.156 1.00 1.12 C ATOM 368 CG LEU A 26 8.716 5.440 -1.693 1.00 0.89 C ATOM 369 CD1 LEU A 26 10.011 5.099 -0.970 1.00 1.28 C ATOM 370 CD2 LEU A 26 7.520 5.155 -0.797 1.00 1.60 C ATOM 0 HA LEU A 26 9.471 6.531 -4.131 1.00 1.01 H new ATOM 0 HB2 LEU A 26 8.965 7.537 -1.308 1.00 1.12 H new ATOM 0 HB3 LEU A 26 7.677 7.165 -2.438 1.00 1.12 H new ATOM 0 HG LEU A 26 8.654 4.810 -2.580 1.00 0.89 H new ATOM 0 HD11 LEU A 26 9.989 4.055 -0.657 1.00 1.28 H new ATOM 0 HD12 LEU A 26 10.855 5.259 -1.641 1.00 1.28 H new ATOM 0 HD13 LEU A 26 10.118 5.738 -0.094 1.00 1.28 H new ATOM 0 HD21 LEU A 26 7.545 4.113 -0.477 1.00 1.60 H new ATOM 0 HD22 LEU A 26 7.557 5.805 0.077 1.00 1.60 H new ATOM 0 HD23 LEU A 26 6.599 5.342 -1.349 1.00 1.60 H new ATOM 382 N SER A 27 10.315 9.473 -4.031 1.00 1.09 N ATOM 383 CA SER A 27 10.120 10.818 -4.540 1.00 1.24 C ATOM 384 C SER A 27 10.007 10.803 -6.060 1.00 1.33 C ATOM 385 O SER A 27 10.996 10.973 -6.771 1.00 1.85 O ATOM 386 CB SER A 27 11.271 11.722 -4.106 1.00 1.39 C ATOM 387 OG SER A 27 11.490 11.635 -2.709 1.00 2.08 O ATOM 0 H SER A 27 11.285 9.234 -3.826 1.00 1.09 H new ATOM 0 HA SER A 27 9.191 11.211 -4.127 1.00 1.24 H new ATOM 0 HB2 SER A 27 12.180 11.440 -4.638 1.00 1.39 H new ATOM 0 HB3 SER A 27 11.050 12.754 -4.379 1.00 1.39 H new ATOM 0 HG SER A 27 12.233 12.222 -2.457 1.00 2.08 H new ATOM 393 N GLY A 28 8.801 10.563 -6.549 1.00 1.34 N ATOM 394 CA GLY A 28 8.580 10.519 -7.978 1.00 1.58 C ATOM 395 C GLY A 28 7.601 9.433 -8.365 1.00 1.41 C ATOM 396 O GLY A 28 6.442 9.457 -7.946 1.00 1.84 O ATOM 0 H GLY A 28 7.970 10.398 -5.981 1.00 1.34 H new ATOM 0 HA2 GLY A 28 8.204 11.484 -8.317 1.00 1.58 H new ATOM 0 HA3 GLY A 28 9.529 10.350 -8.487 1.00 1.58 H new ATOM 400 N ASP A 29 8.065 8.479 -9.152 1.00 1.35 N ATOM 401 CA ASP A 29 7.236 7.357 -9.573 1.00 1.28 C ATOM 402 C ASP A 29 7.637 6.109 -8.802 1.00 1.21 C ATOM 403 O ASP A 29 8.795 5.969 -8.405 1.00 1.84 O ATOM 404 CB ASP A 29 7.363 7.114 -11.082 1.00 1.54 C ATOM 405 CG ASP A 29 8.773 6.754 -11.506 1.00 2.18 C ATOM 406 OD1 ASP A 29 9.599 7.672 -11.675 1.00 2.64 O ATOM 407 OD2 ASP A 29 9.063 5.547 -11.669 1.00 2.77 O ATOM 0 H ASP A 29 9.018 8.457 -9.516 1.00 1.35 H new ATOM 0 HA ASP A 29 6.194 7.595 -9.359 1.00 1.28 H new ATOM 0 HB2 ASP A 29 6.685 6.312 -11.374 1.00 1.54 H new ATOM 0 HB3 ASP A 29 7.046 8.009 -11.617 1.00 1.54 H new ATOM 412 N PHE A 30 6.684 5.205 -8.593 1.00 0.72 N ATOM 413 CA PHE A 30 6.923 4.022 -7.772 1.00 0.64 C ATOM 414 C PHE A 30 5.771 3.025 -7.894 1.00 0.53 C ATOM 415 O PHE A 30 5.945 1.835 -7.655 1.00 0.50 O ATOM 416 CB PHE A 30 7.124 4.416 -6.296 1.00 0.64 C ATOM 417 CG PHE A 30 5.864 4.848 -5.585 1.00 0.57 C ATOM 418 CD1 PHE A 30 5.280 6.083 -5.842 1.00 0.76 C ATOM 419 CD2 PHE A 30 5.271 4.014 -4.644 1.00 0.70 C ATOM 420 CE1 PHE A 30 4.127 6.467 -5.184 1.00 0.92 C ATOM 421 CE2 PHE A 30 4.120 4.397 -3.986 1.00 0.87 C ATOM 422 CZ PHE A 30 3.551 5.626 -4.252 1.00 0.92 C ATOM 0 H PHE A 30 5.742 5.268 -8.979 1.00 0.72 H new ATOM 0 HA PHE A 30 7.832 3.544 -8.137 1.00 0.64 H new ATOM 0 HB2 PHE A 30 7.555 3.569 -5.763 1.00 0.64 H new ATOM 0 HB3 PHE A 30 7.851 5.227 -6.245 1.00 0.64 H new ATOM 0 HD1 PHE A 30 5.732 6.749 -6.563 1.00 0.76 H new ATOM 0 HD2 PHE A 30 5.716 3.055 -4.425 1.00 0.70 H new ATOM 0 HE1 PHE A 30 3.676 7.425 -5.399 1.00 0.92 H new ATOM 0 HE2 PHE A 30 3.665 3.736 -3.264 1.00 0.87 H new ATOM 0 HZ PHE A 30 2.655 5.930 -3.731 1.00 0.92 H new ATOM 432 N LEU A 31 4.592 3.526 -8.254 1.00 0.50 N ATOM 433 CA LEU A 31 3.400 2.691 -8.410 1.00 0.45 C ATOM 434 C LEU A 31 3.619 1.559 -9.418 1.00 0.41 C ATOM 435 O LEU A 31 2.914 0.551 -9.388 1.00 0.43 O ATOM 436 CB LEU A 31 2.215 3.546 -8.859 1.00 0.52 C ATOM 437 CG LEU A 31 1.790 4.647 -7.885 1.00 0.54 C ATOM 438 CD1 LEU A 31 0.719 5.519 -8.513 1.00 0.78 C ATOM 439 CD2 LEU A 31 1.288 4.053 -6.579 1.00 0.43 C ATOM 0 H LEU A 31 4.434 4.515 -8.445 1.00 0.50 H new ATOM 0 HA LEU A 31 3.191 2.242 -7.439 1.00 0.45 H new ATOM 0 HB2 LEU A 31 2.464 4.007 -9.815 1.00 0.52 H new ATOM 0 HB3 LEU A 31 1.362 2.890 -9.034 1.00 0.52 H new ATOM 0 HG LEU A 31 2.662 5.263 -7.665 1.00 0.54 H new ATOM 0 HD11 LEU A 31 0.426 6.298 -7.810 1.00 0.78 H new ATOM 0 HD12 LEU A 31 1.110 5.978 -9.421 1.00 0.78 H new ATOM 0 HD13 LEU A 31 -0.149 4.908 -8.760 1.00 0.78 H new ATOM 0 HD21 LEU A 31 0.992 4.856 -5.904 1.00 0.43 H new ATOM 0 HD22 LEU A 31 0.430 3.411 -6.777 1.00 0.43 H new ATOM 0 HD23 LEU A 31 2.082 3.465 -6.118 1.00 0.43 H new ATOM 451 N ASP A 32 4.590 1.743 -10.309 1.00 0.41 N ATOM 452 CA ASP A 32 4.867 0.778 -11.373 1.00 0.43 C ATOM 453 C ASP A 32 5.925 -0.217 -10.925 1.00 0.42 C ATOM 454 O ASP A 32 6.139 -1.253 -11.560 1.00 0.51 O ATOM 455 CB ASP A 32 5.361 1.498 -12.634 1.00 0.56 C ATOM 456 CG ASP A 32 4.418 2.584 -13.110 1.00 1.39 C ATOM 457 OD1 ASP A 32 4.496 3.717 -12.593 1.00 2.29 O ATOM 458 OD2 ASP A 32 3.583 2.307 -14.000 1.00 1.73 O ATOM 0 H ASP A 32 5.203 2.558 -10.316 1.00 0.41 H new ATOM 0 HA ASP A 32 3.941 0.248 -11.596 1.00 0.43 H new ATOM 0 HB2 ASP A 32 6.339 1.937 -12.434 1.00 0.56 H new ATOM 0 HB3 ASP A 32 5.496 0.768 -13.432 1.00 0.56 H new ATOM 463 N LEU A 33 6.588 0.105 -9.829 1.00 0.43 N ATOM 464 CA LEU A 33 7.641 -0.738 -9.299 1.00 0.48 C ATOM 465 C LEU A 33 7.046 -1.807 -8.394 1.00 0.42 C ATOM 466 O LEU A 33 6.296 -1.500 -7.472 1.00 0.46 O ATOM 467 CB LEU A 33 8.653 0.106 -8.521 1.00 0.56 C ATOM 468 CG LEU A 33 9.344 1.210 -9.327 1.00 0.68 C ATOM 469 CD1 LEU A 33 10.250 2.034 -8.424 1.00 1.23 C ATOM 470 CD2 LEU A 33 10.144 0.611 -10.474 1.00 1.01 C ATOM 0 H LEU A 33 6.413 0.951 -9.286 1.00 0.43 H new ATOM 0 HA LEU A 33 8.155 -1.223 -10.129 1.00 0.48 H new ATOM 0 HB2 LEU A 33 8.144 0.563 -7.673 1.00 0.56 H new ATOM 0 HB3 LEU A 33 9.417 -0.556 -8.115 1.00 0.56 H new ATOM 0 HG LEU A 33 8.579 1.864 -9.745 1.00 0.68 H new ATOM 0 HD11 LEU A 33 10.735 2.815 -9.010 1.00 1.23 H new ATOM 0 HD12 LEU A 33 9.656 2.490 -7.632 1.00 1.23 H new ATOM 0 HD13 LEU A 33 11.009 1.388 -7.983 1.00 1.23 H new ATOM 0 HD21 LEU A 33 10.628 1.410 -11.036 1.00 1.01 H new ATOM 0 HD22 LEU A 33 10.902 -0.064 -10.076 1.00 1.01 H new ATOM 0 HD23 LEU A 33 9.476 0.057 -11.133 1.00 1.01 H new ATOM 482 N ARG A 34 7.387 -3.057 -8.659 1.00 0.40 N ATOM 483 CA ARG A 34 6.876 -4.173 -7.871 1.00 0.39 C ATOM 484 C ARG A 34 7.441 -4.118 -6.458 1.00 0.36 C ATOM 485 O ARG A 34 8.525 -3.577 -6.237 1.00 0.42 O ATOM 486 CB ARG A 34 7.251 -5.506 -8.526 1.00 0.50 C ATOM 487 CG ARG A 34 6.823 -5.611 -9.978 1.00 0.66 C ATOM 488 CD ARG A 34 7.366 -6.871 -10.624 1.00 0.80 C ATOM 489 NE ARG A 34 7.195 -6.854 -12.072 1.00 1.41 N ATOM 490 CZ ARG A 34 8.205 -6.872 -12.938 1.00 1.84 C ATOM 491 NH1 ARG A 34 9.462 -6.943 -12.508 1.00 1.72 N ATOM 492 NH2 ARG A 34 7.953 -6.832 -14.241 1.00 2.88 N ATOM 0 H ARG A 34 8.016 -3.328 -9.415 1.00 0.40 H new ATOM 0 HA ARG A 34 5.790 -4.095 -7.826 1.00 0.39 H new ATOM 0 HB2 ARG A 34 8.331 -5.641 -8.464 1.00 0.50 H new ATOM 0 HB3 ARG A 34 6.795 -6.320 -7.962 1.00 0.50 H new ATOM 0 HG2 ARG A 34 5.735 -5.609 -10.039 1.00 0.66 H new ATOM 0 HG3 ARG A 34 7.175 -4.738 -10.527 1.00 0.66 H new ATOM 0 HD2 ARG A 34 8.424 -6.975 -10.384 1.00 0.80 H new ATOM 0 HD3 ARG A 34 6.858 -7.741 -10.208 1.00 0.80 H new ATOM 0 HE ARG A 34 6.245 -6.827 -12.443 1.00 1.41 H new ATOM 0 HH11 ARG A 34 9.657 -6.984 -11.508 1.00 1.72 H new ATOM 0 HH12 ARG A 34 10.230 -6.956 -13.179 1.00 1.72 H new ATOM 0 HH21 ARG A 34 6.990 -6.788 -14.573 1.00 2.88 H new ATOM 0 HH22 ARG A 34 8.723 -6.845 -14.910 1.00 2.88 H new ATOM 506 N PHE A 35 6.695 -4.659 -5.502 1.00 0.36 N ATOM 507 CA PHE A 35 7.144 -4.708 -4.112 1.00 0.39 C ATOM 508 C PHE A 35 8.521 -5.370 -3.999 1.00 0.46 C ATOM 509 O PHE A 35 9.327 -5.002 -3.140 1.00 0.49 O ATOM 510 CB PHE A 35 6.122 -5.437 -3.230 1.00 0.45 C ATOM 511 CG PHE A 35 4.810 -4.704 -3.100 1.00 0.45 C ATOM 512 CD1 PHE A 35 4.738 -3.489 -2.436 1.00 0.49 C ATOM 513 CD2 PHE A 35 3.651 -5.233 -3.643 1.00 0.52 C ATOM 514 CE1 PHE A 35 3.535 -2.817 -2.314 1.00 0.55 C ATOM 515 CE2 PHE A 35 2.443 -4.566 -3.523 1.00 0.59 C ATOM 516 CZ PHE A 35 2.392 -3.344 -2.868 1.00 0.59 C ATOM 0 H PHE A 35 5.776 -5.071 -5.662 1.00 0.36 H new ATOM 0 HA PHE A 35 7.232 -3.681 -3.757 1.00 0.39 H new ATOM 0 HB2 PHE A 35 5.936 -6.428 -3.645 1.00 0.45 H new ATOM 0 HB3 PHE A 35 6.548 -5.582 -2.237 1.00 0.45 H new ATOM 0 HD1 PHE A 35 5.633 -3.062 -2.008 1.00 0.49 H new ATOM 0 HD2 PHE A 35 3.690 -6.177 -4.166 1.00 0.52 H new ATOM 0 HE1 PHE A 35 3.493 -1.877 -1.783 1.00 0.55 H new ATOM 0 HE2 PHE A 35 1.543 -4.996 -3.938 1.00 0.59 H new ATOM 0 HZ PHE A 35 1.457 -2.808 -2.793 1.00 0.59 H new ATOM 526 N GLU A 36 8.781 -6.337 -4.883 1.00 0.59 N ATOM 527 CA GLU A 36 10.082 -7.003 -4.958 1.00 0.76 C ATOM 528 C GLU A 36 11.207 -6.005 -5.247 1.00 0.71 C ATOM 529 O GLU A 36 12.340 -6.186 -4.803 1.00 0.80 O ATOM 530 CB GLU A 36 10.070 -8.079 -6.052 1.00 1.00 C ATOM 531 CG GLU A 36 9.045 -9.181 -5.826 1.00 1.26 C ATOM 532 CD GLU A 36 9.164 -10.304 -6.841 1.00 1.89 C ATOM 533 OE1 GLU A 36 9.922 -11.262 -6.586 1.00 2.28 O ATOM 534 OE2 GLU A 36 8.504 -10.232 -7.898 1.00 2.60 O ATOM 0 H GLU A 36 8.100 -6.678 -5.562 1.00 0.59 H new ATOM 0 HA GLU A 36 10.267 -7.465 -3.988 1.00 0.76 H new ATOM 0 HB2 GLU A 36 9.871 -7.604 -7.013 1.00 1.00 H new ATOM 0 HB3 GLU A 36 11.061 -8.527 -6.117 1.00 1.00 H new ATOM 0 HG2 GLU A 36 9.169 -9.588 -4.823 1.00 1.26 H new ATOM 0 HG3 GLU A 36 8.043 -8.756 -5.875 1.00 1.26 H new ATOM 541 N ASP A 37 10.882 -4.947 -5.982 1.00 0.65 N ATOM 542 CA ASP A 37 11.883 -3.984 -6.435 1.00 0.74 C ATOM 543 C ASP A 37 12.129 -2.912 -5.385 1.00 0.66 C ATOM 544 O ASP A 37 13.249 -2.428 -5.232 1.00 0.75 O ATOM 545 CB ASP A 37 11.447 -3.315 -7.745 1.00 0.86 C ATOM 546 CG ASP A 37 11.395 -4.270 -8.922 1.00 1.28 C ATOM 547 OD1 ASP A 37 10.374 -4.974 -9.085 1.00 2.03 O ATOM 548 OD2 ASP A 37 12.389 -4.352 -9.672 1.00 1.38 O ATOM 0 H ASP A 37 9.930 -4.733 -6.278 1.00 0.65 H new ATOM 0 HA ASP A 37 12.808 -4.536 -6.603 1.00 0.74 H new ATOM 0 HB2 ASP A 37 10.463 -2.868 -7.606 1.00 0.86 H new ATOM 0 HB3 ASP A 37 12.136 -2.503 -7.976 1.00 0.86 H new ATOM 553 N ILE A 38 11.088 -2.551 -4.649 1.00 0.54 N ATOM 554 CA ILE A 38 11.203 -1.491 -3.653 1.00 0.54 C ATOM 555 C ILE A 38 11.645 -2.040 -2.296 1.00 0.50 C ATOM 556 O ILE A 38 11.586 -1.346 -1.284 1.00 0.55 O ATOM 557 CB ILE A 38 9.893 -0.687 -3.503 1.00 0.55 C ATOM 558 CG1 ILE A 38 8.713 -1.619 -3.214 1.00 0.48 C ATOM 559 CG2 ILE A 38 9.639 0.133 -4.763 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.414 -0.889 -2.949 1.00 0.57 C ATOM 0 H ILE A 38 10.161 -2.971 -4.720 1.00 0.54 H new ATOM 0 HA ILE A 38 11.972 -0.810 -4.017 1.00 0.54 H new ATOM 0 HB ILE A 38 9.995 -0.007 -2.658 1.00 0.55 H new ATOM 0 HG12 ILE A 38 8.576 -2.291 -4.061 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.954 -2.239 -2.351 1.00 0.48 H new ATOM 0 HG21 ILE A 38 8.713 0.697 -4.649 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.468 0.823 -4.921 1.00 0.67 H new ATOM 0 HG23 ILE A 38 9.554 -0.534 -5.621 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.623 -1.613 -2.752 1.00 0.57 H new ATOM 0 HD12 ILE A 38 7.533 -0.237 -2.083 1.00 0.57 H new ATOM 0 HD13 ILE A 38 7.149 -0.290 -3.820 1.00 0.57 H new ATOM 572 N GLY A 39 12.122 -3.280 -2.303 1.00 0.53 N ATOM 573 CA GLY A 39 12.736 -3.861 -1.123 1.00 0.58 C ATOM 574 C GLY A 39 11.760 -4.191 -0.011 1.00 0.51 C ATOM 575 O GLY A 39 12.078 -4.013 1.165 1.00 0.62 O ATOM 0 H GLY A 39 12.094 -3.899 -3.114 1.00 0.53 H new ATOM 0 HA2 GLY A 39 13.261 -4.771 -1.412 1.00 0.58 H new ATOM 0 HA3 GLY A 39 13.485 -3.169 -0.739 1.00 0.58 H new ATOM 579 N TYR A 40 10.577 -4.672 -0.359 1.00 0.47 N ATOM 580 CA TYR A 40 9.621 -5.094 0.652 1.00 0.47 C ATOM 581 C TYR A 40 9.521 -6.609 0.706 1.00 0.55 C ATOM 582 O TYR A 40 9.168 -7.263 -0.274 1.00 0.71 O ATOM 583 CB TYR A 40 8.258 -4.445 0.421 1.00 0.47 C ATOM 584 CG TYR A 40 8.199 -3.030 0.959 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.747 -1.973 0.246 1.00 0.48 C ATOM 586 CD2 TYR A 40 7.573 -2.754 2.165 1.00 0.49 C ATOM 587 CE1 TYR A 40 8.669 -0.679 0.721 1.00 0.52 C ATOM 588 CE2 TYR A 40 7.494 -1.464 2.649 1.00 0.53 C ATOM 589 CZ TYR A 40 8.137 -0.443 1.966 1.00 0.53 C ATOM 590 OH TYR A 40 7.960 0.856 2.396 1.00 0.61 O ATOM 0 H TYR A 40 10.258 -4.779 -1.322 1.00 0.47 H new ATOM 0 HA TYR A 40 9.981 -4.756 1.624 1.00 0.47 H new ATOM 0 HB2 TYR A 40 8.038 -4.435 -0.647 1.00 0.47 H new ATOM 0 HB3 TYR A 40 7.485 -5.046 0.900 1.00 0.47 H new ATOM 0 HD1 TYR A 40 9.242 -2.166 -0.694 1.00 0.48 H new ATOM 0 HD2 TYR A 40 7.140 -3.562 2.735 1.00 0.49 H new ATOM 0 HE1 TYR A 40 9.024 0.143 0.118 1.00 0.52 H new ATOM 0 HE2 TYR A 40 6.937 -1.252 3.550 1.00 0.53 H new ATOM 0 HH TYR A 40 7.820 0.863 3.366 1.00 0.61 H new ATOM 600 N ASP A 41 9.845 -7.147 1.873 1.00 0.58 N ATOM 601 CA ASP A 41 9.949 -8.586 2.076 1.00 0.71 C ATOM 602 C ASP A 41 8.575 -9.235 2.219 1.00 0.66 C ATOM 603 O ASP A 41 8.177 -10.048 1.386 1.00 0.93 O ATOM 604 CB ASP A 41 10.824 -8.878 3.315 1.00 0.89 C ATOM 605 CG ASP A 41 10.269 -8.311 4.620 1.00 1.40 C ATOM 606 OD1 ASP A 41 9.664 -7.221 4.586 1.00 1.93 O ATOM 607 OD2 ASP A 41 10.440 -8.950 5.686 1.00 1.82 O ATOM 0 H ASP A 41 10.044 -6.597 2.709 1.00 0.58 H new ATOM 0 HA ASP A 41 10.421 -9.021 1.195 1.00 0.71 H new ATOM 0 HB2 ASP A 41 10.938 -9.957 3.420 1.00 0.89 H new ATOM 0 HB3 ASP A 41 11.820 -8.467 3.148 1.00 0.89 H new ATOM 612 N SER A 42 7.854 -8.840 3.254 1.00 0.63 N ATOM 613 CA SER A 42 6.580 -9.443 3.615 1.00 0.63 C ATOM 614 C SER A 42 6.111 -8.843 4.929 1.00 0.54 C ATOM 615 O SER A 42 4.979 -8.375 5.052 1.00 0.50 O ATOM 616 CB SER A 42 6.730 -10.962 3.765 1.00 0.77 C ATOM 617 OG SER A 42 7.772 -11.264 4.745 1.00 0.91 O ATOM 0 H SER A 42 8.139 -8.083 3.875 1.00 0.63 H new ATOM 0 HA SER A 42 5.850 -9.244 2.830 1.00 0.63 H new ATOM 0 HB2 SER A 42 5.783 -11.400 4.081 1.00 0.77 H new ATOM 0 HB3 SER A 42 6.983 -11.408 2.803 1.00 0.77 H new ATOM 0 HG SER A 42 7.862 -12.235 4.838 1.00 0.91 H new ATOM 622 N LEU A 43 7.017 -8.831 5.898 1.00 0.57 N ATOM 623 CA LEU A 43 6.741 -8.260 7.204 1.00 0.57 C ATOM 624 C LEU A 43 6.507 -6.761 7.059 1.00 0.48 C ATOM 625 O LEU A 43 5.536 -6.220 7.583 1.00 0.49 O ATOM 626 CB LEU A 43 7.914 -8.542 8.150 1.00 0.68 C ATOM 627 CG LEU A 43 7.556 -8.750 9.627 1.00 0.78 C ATOM 628 CD1 LEU A 43 6.939 -7.498 10.227 1.00 0.90 C ATOM 629 CD2 LEU A 43 6.620 -9.938 9.782 1.00 1.32 C ATOM 0 H LEU A 43 7.957 -9.215 5.799 1.00 0.57 H new ATOM 0 HA LEU A 43 5.845 -8.714 7.626 1.00 0.57 H new ATOM 0 HB2 LEU A 43 8.435 -9.431 7.795 1.00 0.68 H new ATOM 0 HB3 LEU A 43 8.617 -7.712 8.081 1.00 0.68 H new ATOM 0 HG LEU A 43 8.477 -8.958 10.171 1.00 0.78 H new ATOM 0 HD11 LEU A 43 6.697 -7.678 11.274 1.00 0.90 H new ATOM 0 HD12 LEU A 43 7.648 -6.673 10.155 1.00 0.90 H new ATOM 0 HD13 LEU A 43 6.030 -7.244 9.683 1.00 0.90 H new ATOM 0 HD21 LEU A 43 6.375 -10.073 10.835 1.00 1.32 H new ATOM 0 HD22 LEU A 43 5.706 -9.757 9.217 1.00 1.32 H new ATOM 0 HD23 LEU A 43 7.108 -10.837 9.405 1.00 1.32 H new ATOM 641 N ALA A 44 7.382 -6.102 6.308 1.00 0.44 N ATOM 642 CA ALA A 44 7.237 -4.673 6.059 1.00 0.41 C ATOM 643 C ALA A 44 5.956 -4.389 5.281 1.00 0.34 C ATOM 644 O ALA A 44 5.381 -3.305 5.379 1.00 0.36 O ATOM 645 CB ALA A 44 8.444 -4.136 5.308 1.00 0.47 C ATOM 0 H ALA A 44 8.194 -6.531 5.864 1.00 0.44 H new ATOM 0 HA ALA A 44 7.175 -4.164 7.021 1.00 0.41 H new ATOM 0 HB1 ALA A 44 8.317 -3.068 5.132 1.00 0.47 H new ATOM 0 HB2 ALA A 44 9.344 -4.302 5.900 1.00 0.47 H new ATOM 0 HB3 ALA A 44 8.538 -4.653 4.353 1.00 0.47 H new ATOM 651 N LEU A 45 5.504 -5.380 4.524 1.00 0.35 N ATOM 652 CA LEU A 45 4.300 -5.236 3.720 1.00 0.35 C ATOM 653 C LEU A 45 3.051 -5.305 4.600 1.00 0.34 C ATOM 654 O LEU A 45 2.148 -4.478 4.473 1.00 0.36 O ATOM 655 CB LEU A 45 4.249 -6.322 2.641 1.00 0.43 C ATOM 656 CG LEU A 45 3.116 -6.179 1.620 1.00 0.48 C ATOM 657 CD1 LEU A 45 3.308 -4.933 0.768 1.00 0.75 C ATOM 658 CD2 LEU A 45 3.031 -7.418 0.743 1.00 0.74 C ATOM 0 H LEU A 45 5.954 -6.292 4.451 1.00 0.35 H new ATOM 0 HA LEU A 45 4.326 -4.260 3.235 1.00 0.35 H new ATOM 0 HB2 LEU A 45 5.199 -6.325 2.107 1.00 0.43 H new ATOM 0 HB3 LEU A 45 4.155 -7.292 3.129 1.00 0.43 H new ATOM 0 HG LEU A 45 2.178 -6.075 2.165 1.00 0.48 H new ATOM 0 HD11 LEU A 45 2.491 -4.853 0.051 1.00 0.75 H new ATOM 0 HD12 LEU A 45 3.315 -4.051 1.409 1.00 0.75 H new ATOM 0 HD13 LEU A 45 4.255 -5.000 0.233 1.00 0.75 H new ATOM 0 HD21 LEU A 45 2.221 -7.300 0.023 1.00 0.74 H new ATOM 0 HD22 LEU A 45 3.973 -7.552 0.211 1.00 0.74 H new ATOM 0 HD23 LEU A 45 2.838 -8.292 1.365 1.00 0.74 H new ATOM 670 N MET A 46 3.009 -6.285 5.502 1.00 0.36 N ATOM 671 CA MET A 46 1.848 -6.474 6.367 1.00 0.40 C ATOM 672 C MET A 46 1.711 -5.329 7.373 1.00 0.37 C ATOM 673 O MET A 46 0.600 -4.962 7.750 1.00 0.41 O ATOM 674 CB MET A 46 1.908 -7.826 7.091 1.00 0.49 C ATOM 675 CG MET A 46 3.072 -7.972 8.057 1.00 0.52 C ATOM 676 SD MET A 46 3.034 -9.528 8.968 1.00 1.21 S ATOM 677 CE MET A 46 1.495 -9.362 9.867 1.00 1.26 C ATOM 0 H MET A 46 3.762 -6.957 5.651 1.00 0.36 H new ATOM 0 HA MET A 46 0.964 -6.470 5.730 1.00 0.40 H new ATOM 0 HB2 MET A 46 0.977 -7.972 7.639 1.00 0.49 H new ATOM 0 HB3 MET A 46 1.968 -8.620 6.347 1.00 0.49 H new ATOM 0 HG2 MET A 46 4.008 -7.903 7.503 1.00 0.52 H new ATOM 0 HG3 MET A 46 3.058 -7.142 8.764 1.00 0.52 H new ATOM 0 HE1 MET A 46 1.488 -10.055 10.708 1.00 1.26 H new ATOM 0 HE2 MET A 46 1.398 -8.341 10.237 1.00 1.26 H new ATOM 0 HE3 MET A 46 0.660 -9.588 9.204 1.00 1.26 H new ATOM 687 N GLU A 47 2.836 -4.758 7.790 1.00 0.37 N ATOM 688 CA GLU A 47 2.814 -3.611 8.693 1.00 0.42 C ATOM 689 C GLU A 47 2.156 -2.412 8.016 1.00 0.41 C ATOM 690 O GLU A 47 1.411 -1.656 8.644 1.00 0.47 O ATOM 691 CB GLU A 47 4.231 -3.247 9.142 1.00 0.48 C ATOM 692 CG GLU A 47 4.922 -4.338 9.945 1.00 0.62 C ATOM 693 CD GLU A 47 4.184 -4.690 11.220 1.00 1.21 C ATOM 694 OE1 GLU A 47 3.269 -5.540 11.167 1.00 2.20 O ATOM 695 OE2 GLU A 47 4.497 -4.106 12.276 1.00 1.18 O ATOM 0 H GLU A 47 3.770 -5.068 7.520 1.00 0.37 H new ATOM 0 HA GLU A 47 2.231 -3.883 9.573 1.00 0.42 H new ATOM 0 HB2 GLU A 47 4.833 -3.020 8.262 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.189 -2.338 9.743 1.00 0.48 H new ATOM 0 HG2 GLU A 47 5.017 -5.231 9.328 1.00 0.62 H new ATOM 0 HG3 GLU A 47 5.932 -4.014 10.194 1.00 0.62 H new ATOM 702 N THR A 48 2.437 -2.251 6.728 1.00 0.37 N ATOM 703 CA THR A 48 1.861 -1.170 5.941 1.00 0.42 C ATOM 704 C THR A 48 0.338 -1.301 5.848 1.00 0.40 C ATOM 705 O THR A 48 -0.380 -0.300 5.823 1.00 0.43 O ATOM 706 CB THR A 48 2.467 -1.144 4.525 1.00 0.45 C ATOM 707 OG1 THR A 48 3.900 -1.135 4.609 1.00 0.47 O ATOM 708 CG2 THR A 48 1.997 0.080 3.752 1.00 0.54 C ATOM 0 H THR A 48 3.065 -2.861 6.205 1.00 0.37 H new ATOM 0 HA THR A 48 2.098 -0.235 6.448 1.00 0.42 H new ATOM 0 HB THR A 48 2.134 -2.037 3.996 1.00 0.45 H new ATOM 0 HG1 THR A 48 4.218 -2.023 4.874 1.00 0.47 H new ATOM 0 HG21 THR A 48 2.440 0.073 2.756 1.00 0.54 H new ATOM 0 HG22 THR A 48 0.911 0.061 3.666 1.00 0.54 H new ATOM 0 HG23 THR A 48 2.304 0.983 4.279 1.00 0.54 H new ATOM 716 N ALA A 49 -0.144 -2.540 5.812 1.00 0.40 N ATOM 717 CA ALA A 49 -1.574 -2.820 5.700 1.00 0.39 C ATOM 718 C ALA A 49 -2.365 -2.141 6.813 1.00 0.34 C ATOM 719 O ALA A 49 -3.392 -1.509 6.558 1.00 0.33 O ATOM 720 CB ALA A 49 -1.812 -4.320 5.725 1.00 0.46 C ATOM 0 H ALA A 49 0.441 -3.374 5.859 1.00 0.40 H new ATOM 0 HA ALA A 49 -1.924 -2.415 4.750 1.00 0.39 H new ATOM 0 HB1 ALA A 49 -2.880 -4.520 5.641 1.00 0.46 H new ATOM 0 HB2 ALA A 49 -1.289 -4.785 4.890 1.00 0.46 H new ATOM 0 HB3 ALA A 49 -1.438 -4.732 6.662 1.00 0.46 H new ATOM 726 N ALA A 50 -1.854 -2.240 8.037 1.00 0.37 N ATOM 727 CA ALA A 50 -2.541 -1.699 9.207 1.00 0.40 C ATOM 728 C ALA A 50 -2.718 -0.195 9.081 1.00 0.39 C ATOM 729 O ALA A 50 -3.711 0.368 9.538 1.00 0.44 O ATOM 730 CB ALA A 50 -1.773 -2.039 10.474 1.00 0.49 C ATOM 0 H ALA A 50 -0.963 -2.691 8.245 1.00 0.37 H new ATOM 0 HA ALA A 50 -3.530 -2.154 9.265 1.00 0.40 H new ATOM 0 HB1 ALA A 50 -2.297 -1.629 11.338 1.00 0.49 H new ATOM 0 HB2 ALA A 50 -1.698 -3.122 10.575 1.00 0.49 H new ATOM 0 HB3 ALA A 50 -0.773 -1.610 10.419 1.00 0.49 H new ATOM 736 N ARG A 51 -1.755 0.438 8.429 1.00 0.37 N ATOM 737 CA ARG A 51 -1.760 1.881 8.250 1.00 0.44 C ATOM 738 C ARG A 51 -2.907 2.311 7.346 1.00 0.40 C ATOM 739 O ARG A 51 -3.482 3.382 7.525 1.00 0.52 O ATOM 740 CB ARG A 51 -0.423 2.334 7.666 1.00 0.52 C ATOM 741 CG ARG A 51 0.757 2.066 8.581 1.00 0.68 C ATOM 742 CD ARG A 51 0.630 2.862 9.872 1.00 0.95 C ATOM 743 NE ARG A 51 1.526 2.384 10.918 1.00 1.47 N ATOM 744 CZ ARG A 51 2.205 3.182 11.740 1.00 1.90 C ATOM 745 NH1 ARG A 51 2.179 4.501 11.578 1.00 1.94 N ATOM 746 NH2 ARG A 51 2.924 2.652 12.718 1.00 2.86 N ATOM 0 H ARG A 51 -0.952 -0.032 8.011 1.00 0.37 H new ATOM 0 HA ARG A 51 -1.903 2.352 9.222 1.00 0.44 H new ATOM 0 HB2 ARG A 51 -0.259 1.825 6.716 1.00 0.52 H new ATOM 0 HB3 ARG A 51 -0.472 3.402 7.452 1.00 0.52 H new ATOM 0 HG2 ARG A 51 0.812 1.001 8.809 1.00 0.68 H new ATOM 0 HG3 ARG A 51 1.684 2.332 8.074 1.00 0.68 H new ATOM 0 HD2 ARG A 51 0.842 3.912 9.669 1.00 0.95 H new ATOM 0 HD3 ARG A 51 -0.399 2.808 10.228 1.00 0.95 H new ATOM 0 HE ARG A 51 1.640 1.376 11.027 1.00 1.47 H new ATOM 0 HH11 ARG A 51 1.635 4.911 10.818 1.00 1.94 H new ATOM 0 HH12 ARG A 51 2.703 5.103 12.213 1.00 1.94 H new ATOM 0 HH21 ARG A 51 2.955 1.639 12.837 1.00 2.86 H new ATOM 0 HH22 ARG A 51 3.447 3.256 13.352 1.00 2.86 H new ATOM 760 N LEU A 52 -3.239 1.465 6.381 1.00 0.32 N ATOM 761 CA LEU A 52 -4.327 1.753 5.459 1.00 0.31 C ATOM 762 C LEU A 52 -5.667 1.359 6.070 1.00 0.27 C ATOM 763 O LEU A 52 -6.618 2.147 6.071 1.00 0.30 O ATOM 764 CB LEU A 52 -4.113 1.013 4.136 1.00 0.35 C ATOM 765 CG LEU A 52 -2.763 1.276 3.465 1.00 0.46 C ATOM 766 CD1 LEU A 52 -2.579 0.366 2.261 1.00 0.56 C ATOM 767 CD2 LEU A 52 -2.651 2.736 3.051 1.00 0.56 C ATOM 0 H LEU A 52 -2.770 0.574 6.217 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.337 2.825 5.265 1.00 0.31 H new ATOM 0 HB2 LEU A 52 -4.212 -0.058 4.315 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -4.907 1.295 3.445 1.00 0.35 H new ATOM 0 HG LEU A 52 -1.973 1.059 4.184 1.00 0.46 H new ATOM 0 HD11 LEU A 52 -1.614 0.567 1.797 1.00 0.56 H new ATOM 0 HD12 LEU A 52 -2.617 -0.675 2.582 1.00 0.56 H new ATOM 0 HD13 LEU A 52 -3.374 0.552 1.539 1.00 0.56 H new ATOM 0 HD21 LEU A 52 -1.685 2.906 2.575 1.00 0.56 H new ATOM 0 HD22 LEU A 52 -3.449 2.977 2.349 1.00 0.56 H new ATOM 0 HD23 LEU A 52 -2.739 3.372 3.932 1.00 0.56 H new ATOM 779 N GLU A 53 -5.720 0.149 6.614 1.00 0.25 N ATOM 780 CA GLU A 53 -6.950 -0.392 7.178 1.00 0.26 C ATOM 781 C GLU A 53 -7.487 0.497 8.298 1.00 0.30 C ATOM 782 O GLU A 53 -8.643 0.911 8.272 1.00 0.36 O ATOM 783 CB GLU A 53 -6.719 -1.808 7.706 1.00 0.27 C ATOM 784 CG GLU A 53 -6.321 -2.803 6.627 1.00 0.32 C ATOM 785 CD GLU A 53 -6.055 -4.189 7.178 1.00 0.41 C ATOM 786 OE1 GLU A 53 -4.990 -4.389 7.797 1.00 0.51 O ATOM 787 OE2 GLU A 53 -6.909 -5.079 7.000 1.00 0.48 O ATOM 0 H GLU A 53 -4.919 -0.480 6.676 1.00 0.25 H new ATOM 0 HA GLU A 53 -7.692 -0.423 6.380 1.00 0.26 H new ATOM 0 HB2 GLU A 53 -5.940 -1.780 8.468 1.00 0.27 H new ATOM 0 HB3 GLU A 53 -7.629 -2.158 8.193 1.00 0.27 H new ATOM 0 HG2 GLU A 53 -7.113 -2.859 5.881 1.00 0.32 H new ATOM 0 HG3 GLU A 53 -5.428 -2.442 6.117 1.00 0.32 H new ATOM 794 N SER A 54 -6.631 0.809 9.262 1.00 0.36 N ATOM 795 CA SER A 54 -7.035 1.589 10.426 1.00 0.46 C ATOM 796 C SER A 54 -7.388 3.028 10.037 1.00 0.43 C ATOM 797 O SER A 54 -8.122 3.711 10.750 1.00 0.53 O ATOM 798 CB SER A 54 -5.920 1.577 11.478 1.00 0.59 C ATOM 799 OG SER A 54 -6.362 2.133 12.704 1.00 1.42 O ATOM 0 H SER A 54 -5.649 0.533 9.261 1.00 0.36 H new ATOM 0 HA SER A 54 -7.929 1.131 10.849 1.00 0.46 H new ATOM 0 HB2 SER A 54 -5.582 0.554 11.641 1.00 0.59 H new ATOM 0 HB3 SER A 54 -5.063 2.140 11.109 1.00 0.59 H new ATOM 0 HG SER A 54 -5.631 2.111 13.356 1.00 1.42 H new ATOM 805 N ARG A 55 -6.880 3.475 8.897 1.00 0.37 N ATOM 806 CA ARG A 55 -7.078 4.855 8.469 1.00 0.40 C ATOM 807 C ARG A 55 -8.427 5.032 7.778 1.00 0.40 C ATOM 808 O ARG A 55 -9.177 5.956 8.092 1.00 0.47 O ATOM 809 CB ARG A 55 -5.947 5.282 7.532 1.00 0.47 C ATOM 810 CG ARG A 55 -6.035 6.728 7.064 1.00 0.66 C ATOM 811 CD ARG A 55 -4.798 7.115 6.273 1.00 0.87 C ATOM 812 NE ARG A 55 -3.585 6.942 7.068 1.00 1.14 N ATOM 813 CZ ARG A 55 -2.362 6.814 6.562 1.00 1.64 C ATOM 814 NH1 ARG A 55 -2.164 6.871 5.250 1.00 1.89 N ATOM 815 NH2 ARG A 55 -1.339 6.638 7.376 1.00 2.42 N ATOM 0 H ARG A 55 -6.330 2.906 8.254 1.00 0.37 H new ATOM 0 HA ARG A 55 -7.068 5.488 9.356 1.00 0.40 H new ATOM 0 HB2 ARG A 55 -4.994 5.134 8.040 1.00 0.47 H new ATOM 0 HB3 ARG A 55 -5.948 4.629 6.659 1.00 0.47 H new ATOM 0 HG2 ARG A 55 -6.923 6.862 6.447 1.00 0.66 H new ATOM 0 HG3 ARG A 55 -6.143 7.388 7.925 1.00 0.66 H new ATOM 0 HD2 ARG A 55 -4.735 6.506 5.371 1.00 0.87 H new ATOM 0 HD3 ARG A 55 -4.880 8.153 5.951 1.00 0.87 H new ATOM 0 HE ARG A 55 -3.683 6.918 8.083 1.00 1.14 H new ATOM 0 HH11 ARG A 55 -2.954 7.014 4.621 1.00 1.89 H new ATOM 0 HH12 ARG A 55 -1.222 6.772 4.872 1.00 1.89 H new ATOM 0 HH21 ARG A 55 -1.490 6.601 8.384 1.00 2.42 H new ATOM 0 HH22 ARG A 55 -0.397 6.539 6.997 1.00 2.42 H new ATOM 829 N TYR A 56 -8.732 4.146 6.841 1.00 0.38 N ATOM 830 CA TYR A 56 -9.943 4.280 6.040 1.00 0.46 C ATOM 831 C TYR A 56 -11.063 3.389 6.567 1.00 0.51 C ATOM 832 O TYR A 56 -12.143 3.324 5.982 1.00 0.71 O ATOM 833 CB TYR A 56 -9.641 3.951 4.579 1.00 0.52 C ATOM 834 CG TYR A 56 -8.543 4.816 3.991 1.00 0.59 C ATOM 835 CD1 TYR A 56 -8.818 6.090 3.510 1.00 0.70 C ATOM 836 CD2 TYR A 56 -7.238 4.349 3.899 1.00 0.66 C ATOM 837 CE1 TYR A 56 -7.822 6.877 2.962 1.00 0.85 C ATOM 838 CE2 TYR A 56 -6.237 5.131 3.348 1.00 0.81 C ATOM 839 CZ TYR A 56 -6.519 6.416 2.947 1.00 0.91 C ATOM 840 OH TYR A 56 -5.548 7.172 2.324 1.00 1.08 O ATOM 0 H TYR A 56 -8.162 3.330 6.616 1.00 0.38 H new ATOM 0 HA TYR A 56 -10.283 5.313 6.111 1.00 0.46 H new ATOM 0 HB2 TYR A 56 -9.351 2.903 4.501 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.549 4.076 3.989 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.827 6.472 3.565 1.00 0.70 H new ATOM 0 HD2 TYR A 56 -7.000 3.360 4.263 1.00 0.66 H new ATOM 0 HE1 TYR A 56 -8.061 7.846 2.548 1.00 0.85 H new ATOM 0 HE2 TYR A 56 -5.239 4.734 3.234 1.00 0.81 H new ATOM 0 HH TYR A 56 -5.153 7.794 2.970 1.00 1.08 H new ATOM 850 N GLY A 57 -10.800 2.698 7.670 1.00 0.41 N ATOM 851 CA GLY A 57 -11.807 1.842 8.271 1.00 0.46 C ATOM 852 C GLY A 57 -12.094 0.611 7.433 1.00 0.43 C ATOM 853 O GLY A 57 -13.222 0.116 7.399 1.00 0.58 O ATOM 0 H GLY A 57 -9.906 2.715 8.160 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.474 1.534 9.262 1.00 0.46 H new ATOM 0 HA3 GLY A 57 -12.728 2.409 8.406 1.00 0.46 H new ATOM 857 N VAL A 58 -11.063 0.109 6.772 1.00 0.32 N ATOM 858 CA VAL A 58 -11.204 -1.033 5.883 1.00 0.33 C ATOM 859 C VAL A 58 -10.517 -2.265 6.456 1.00 0.33 C ATOM 860 O VAL A 58 -10.087 -2.269 7.610 1.00 0.34 O ATOM 861 CB VAL A 58 -10.621 -0.739 4.481 1.00 0.35 C ATOM 862 CG1 VAL A 58 -11.308 0.458 3.853 1.00 0.45 C ATOM 863 CG2 VAL A 58 -9.114 -0.514 4.548 1.00 0.30 C ATOM 0 H VAL A 58 -10.114 0.477 6.835 1.00 0.32 H new ATOM 0 HA VAL A 58 -12.273 -1.225 5.789 1.00 0.33 H new ATOM 0 HB VAL A 58 -10.806 -1.612 3.854 1.00 0.35 H new ATOM 0 HG11 VAL A 58 -10.882 0.646 2.868 1.00 0.45 H new ATOM 0 HG12 VAL A 58 -12.374 0.255 3.755 1.00 0.45 H new ATOM 0 HG13 VAL A 58 -11.162 1.334 4.485 1.00 0.45 H new ATOM 0 HG21 VAL A 58 -8.732 -0.310 3.548 1.00 0.30 H new ATOM 0 HG22 VAL A 58 -8.901 0.335 5.198 1.00 0.30 H new ATOM 0 HG23 VAL A 58 -8.630 -1.406 4.946 1.00 0.30 H new ATOM 873 N SER A 59 -10.421 -3.301 5.637 1.00 0.39 N ATOM 874 CA SER A 59 -9.696 -4.505 5.983 1.00 0.49 C ATOM 875 C SER A 59 -9.307 -5.234 4.705 1.00 0.48 C ATOM 876 O SER A 59 -10.126 -5.375 3.795 1.00 0.51 O ATOM 877 CB SER A 59 -10.547 -5.396 6.880 1.00 0.65 C ATOM 878 OG SER A 59 -11.844 -5.591 6.334 1.00 1.62 O ATOM 0 H SER A 59 -10.847 -3.326 4.711 1.00 0.39 H new ATOM 0 HA SER A 59 -8.792 -4.244 6.534 1.00 0.49 H new ATOM 0 HB2 SER A 59 -10.056 -6.360 7.009 1.00 0.65 H new ATOM 0 HB3 SER A 59 -10.631 -4.946 7.869 1.00 0.65 H new ATOM 0 HG SER A 59 -11.788 -5.610 5.356 1.00 1.62 H new ATOM 884 N ILE A 60 -8.064 -5.666 4.632 1.00 0.46 N ATOM 885 CA ILE A 60 -7.543 -6.297 3.430 1.00 0.46 C ATOM 886 C ILE A 60 -7.630 -7.819 3.533 1.00 0.54 C ATOM 887 O ILE A 60 -7.023 -8.424 4.418 1.00 0.60 O ATOM 888 CB ILE A 60 -6.080 -5.880 3.171 1.00 0.44 C ATOM 889 CG1 ILE A 60 -5.962 -4.354 3.154 1.00 0.40 C ATOM 890 CG2 ILE A 60 -5.584 -6.472 1.859 1.00 0.46 C ATOM 891 CD1 ILE A 60 -4.544 -3.853 3.005 1.00 0.45 C ATOM 0 H ILE A 60 -7.390 -5.592 5.394 1.00 0.46 H new ATOM 0 HA ILE A 60 -8.156 -5.961 2.594 1.00 0.46 H new ATOM 0 HB ILE A 60 -5.457 -6.266 3.977 1.00 0.44 H new ATOM 0 HG12 ILE A 60 -6.564 -3.962 2.334 1.00 0.40 H new ATOM 0 HG13 ILE A 60 -6.383 -3.956 4.077 1.00 0.40 H new ATOM 0 HG21 ILE A 60 -4.551 -6.169 1.691 1.00 0.46 H new ATOM 0 HG22 ILE A 60 -5.640 -7.560 1.906 1.00 0.46 H new ATOM 0 HG23 ILE A 60 -6.206 -6.112 1.039 1.00 0.46 H new ATOM 0 HD11 ILE A 60 -4.542 -2.763 3.001 1.00 0.45 H new ATOM 0 HD12 ILE A 60 -3.941 -4.214 3.838 1.00 0.45 H new ATOM 0 HD13 ILE A 60 -4.125 -4.220 2.068 1.00 0.45 H new ATOM 903 N PRO A 61 -8.409 -8.457 2.644 1.00 0.59 N ATOM 904 CA PRO A 61 -8.541 -9.916 2.613 1.00 0.69 C ATOM 905 C PRO A 61 -7.219 -10.597 2.260 1.00 0.62 C ATOM 906 O PRO A 61 -6.531 -10.186 1.323 1.00 0.57 O ATOM 907 CB PRO A 61 -9.585 -10.171 1.518 1.00 0.81 C ATOM 908 CG PRO A 61 -10.260 -8.860 1.308 1.00 0.79 C ATOM 909 CD PRO A 61 -9.230 -7.812 1.607 1.00 0.62 C ATOM 0 HA PRO A 61 -8.830 -10.320 3.584 1.00 0.69 H new ATOM 0 HB2 PRO A 61 -9.115 -10.523 0.600 1.00 0.81 H new ATOM 0 HB3 PRO A 61 -10.298 -10.936 1.825 1.00 0.81 H new ATOM 0 HG2 PRO A 61 -10.624 -8.768 0.285 1.00 0.79 H new ATOM 0 HG3 PRO A 61 -11.124 -8.756 1.964 1.00 0.79 H new ATOM 0 HD2 PRO A 61 -8.643 -7.557 0.725 1.00 0.62 H new ATOM 0 HD3 PRO A 61 -9.684 -6.888 1.965 1.00 0.62 H new ATOM 917 N ASP A 62 -6.884 -11.645 3.006 1.00 0.76 N ATOM 918 CA ASP A 62 -5.601 -12.335 2.869 1.00 0.82 C ATOM 919 C ASP A 62 -5.423 -12.958 1.483 1.00 0.67 C ATOM 920 O ASP A 62 -4.294 -13.192 1.040 1.00 0.77 O ATOM 921 CB ASP A 62 -5.460 -13.403 3.964 1.00 1.11 C ATOM 922 CG ASP A 62 -6.581 -14.426 3.951 1.00 1.39 C ATOM 923 OD1 ASP A 62 -7.760 -14.019 3.949 1.00 1.96 O ATOM 924 OD2 ASP A 62 -6.284 -15.641 3.906 1.00 1.99 O ATOM 0 H ASP A 62 -7.492 -12.041 3.723 1.00 0.76 H new ATOM 0 HA ASP A 62 -4.813 -11.591 2.986 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -4.507 -13.917 3.840 1.00 1.11 H new ATOM 0 HB3 ASP A 62 -5.435 -12.914 4.938 1.00 1.11 H new ATOM 929 N ASP A 63 -6.530 -13.211 0.791 1.00 0.66 N ATOM 930 CA ASP A 63 -6.472 -13.717 -0.580 1.00 0.71 C ATOM 931 C ASP A 63 -6.153 -12.589 -1.543 1.00 0.58 C ATOM 932 O ASP A 63 -5.222 -12.678 -2.343 1.00 0.62 O ATOM 933 CB ASP A 63 -7.802 -14.366 -0.986 1.00 0.96 C ATOM 934 CG ASP A 63 -7.820 -14.802 -2.446 1.00 1.67 C ATOM 935 OD1 ASP A 63 -7.981 -13.941 -3.336 1.00 2.44 O ATOM 936 OD2 ASP A 63 -7.691 -16.014 -2.713 1.00 2.03 O ATOM 0 H ASP A 63 -7.474 -13.075 1.153 1.00 0.66 H new ATOM 0 HA ASP A 63 -5.685 -14.470 -0.623 1.00 0.71 H new ATOM 0 HB2 ASP A 63 -7.989 -15.231 -0.350 1.00 0.96 H new ATOM 0 HB3 ASP A 63 -8.614 -13.661 -0.811 1.00 0.96 H new ATOM 941 N VAL A 64 -6.910 -11.509 -1.431 1.00 0.57 N ATOM 942 CA VAL A 64 -6.804 -10.402 -2.368 1.00 0.58 C ATOM 943 C VAL A 64 -5.488 -9.642 -2.168 1.00 0.53 C ATOM 944 O VAL A 64 -4.954 -9.042 -3.102 1.00 0.59 O ATOM 945 CB VAL A 64 -7.992 -9.434 -2.218 1.00 0.73 C ATOM 946 CG1 VAL A 64 -8.000 -8.404 -3.335 1.00 1.10 C ATOM 947 CG2 VAL A 64 -9.309 -10.196 -2.193 1.00 1.14 C ATOM 0 H VAL A 64 -7.607 -11.375 -0.698 1.00 0.57 H new ATOM 0 HA VAL A 64 -6.820 -10.821 -3.374 1.00 0.58 H new ATOM 0 HB VAL A 64 -7.877 -8.909 -1.270 1.00 0.73 H new ATOM 0 HG11 VAL A 64 -8.849 -7.733 -3.205 1.00 1.10 H new ATOM 0 HG12 VAL A 64 -7.075 -7.828 -3.306 1.00 1.10 H new ATOM 0 HG13 VAL A 64 -8.082 -8.911 -4.297 1.00 1.10 H new ATOM 0 HG21 VAL A 64 -10.135 -9.492 -2.086 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -9.425 -10.753 -3.123 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -9.312 -10.889 -1.352 1.00 1.14 H new ATOM 957 N ALA A 65 -4.963 -9.689 -0.947 1.00 0.52 N ATOM 958 CA ALA A 65 -3.685 -9.058 -0.626 1.00 0.58 C ATOM 959 C ALA A 65 -2.547 -9.668 -1.435 1.00 0.56 C ATOM 960 O ALA A 65 -1.614 -8.977 -1.841 1.00 0.68 O ATOM 961 CB ALA A 65 -3.397 -9.189 0.862 1.00 0.67 C ATOM 0 H ALA A 65 -5.406 -10.161 -0.158 1.00 0.52 H new ATOM 0 HA ALA A 65 -3.756 -8.002 -0.888 1.00 0.58 H new ATOM 0 HB1 ALA A 65 -2.442 -8.716 1.091 1.00 0.67 H new ATOM 0 HB2 ALA A 65 -4.189 -8.702 1.430 1.00 0.67 H new ATOM 0 HB3 ALA A 65 -3.353 -10.244 1.133 1.00 0.67 H new ATOM 967 N GLY A 66 -2.651 -10.961 -1.690 1.00 0.50 N ATOM 968 CA GLY A 66 -1.605 -11.663 -2.408 1.00 0.56 C ATOM 969 C GLY A 66 -1.832 -11.673 -3.905 1.00 0.58 C ATOM 970 O GLY A 66 -1.146 -12.387 -4.639 1.00 0.77 O ATOM 0 H GLY A 66 -3.443 -11.541 -1.413 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -0.645 -11.195 -2.193 1.00 0.56 H new ATOM 0 HA3 GLY A 66 -1.547 -12.690 -2.046 1.00 0.56 H new ATOM 974 N ARG A 67 -2.794 -10.884 -4.363 1.00 0.55 N ATOM 975 CA ARG A 67 -3.118 -10.825 -5.778 1.00 0.63 C ATOM 976 C ARG A 67 -2.327 -9.718 -6.465 1.00 0.58 C ATOM 977 O ARG A 67 -2.077 -9.778 -7.667 1.00 0.78 O ATOM 978 CB ARG A 67 -4.618 -10.583 -5.976 1.00 0.77 C ATOM 979 CG ARG A 67 -5.510 -11.676 -5.402 1.00 0.93 C ATOM 980 CD ARG A 67 -5.299 -13.003 -6.105 1.00 1.10 C ATOM 981 NE ARG A 67 -6.044 -14.093 -5.469 1.00 1.82 N ATOM 982 CZ ARG A 67 -6.166 -15.315 -5.987 1.00 2.63 C ATOM 983 NH1 ARG A 67 -5.677 -15.578 -7.193 1.00 2.86 N ATOM 984 NH2 ARG A 67 -6.797 -16.268 -5.309 1.00 3.63 N ATOM 0 H ARG A 67 -3.363 -10.276 -3.773 1.00 0.55 H new ATOM 0 HA ARG A 67 -2.849 -11.782 -6.225 1.00 0.63 H new ATOM 0 HB2 ARG A 67 -4.885 -9.632 -5.514 1.00 0.77 H new ATOM 0 HB3 ARG A 67 -4.821 -10.487 -7.043 1.00 0.77 H new ATOM 0 HG2 ARG A 67 -5.304 -11.792 -4.338 1.00 0.93 H new ATOM 0 HG3 ARG A 67 -6.554 -11.378 -5.494 1.00 0.93 H new ATOM 0 HD2 ARG A 67 -5.608 -12.913 -7.146 1.00 1.10 H new ATOM 0 HD3 ARG A 67 -4.236 -13.245 -6.108 1.00 1.10 H new ATOM 0 HE ARG A 67 -6.497 -13.905 -4.575 1.00 1.82 H new ATOM 0 HH11 ARG A 67 -5.207 -14.845 -7.724 1.00 2.86 H new ATOM 0 HH12 ARG A 67 -5.771 -16.514 -7.588 1.00 2.86 H new ATOM 0 HH21 ARG A 67 -7.190 -16.065 -4.390 1.00 3.63 H new ATOM 0 HH22 ARG A 67 -6.889 -17.202 -5.708 1.00 3.63 H new ATOM 998 N VAL A 68 -1.930 -8.712 -5.697 1.00 0.50 N ATOM 999 CA VAL A 68 -1.217 -7.572 -6.254 1.00 0.48 C ATOM 1000 C VAL A 68 0.295 -7.730 -6.120 1.00 0.54 C ATOM 1001 O VAL A 68 0.780 -8.470 -5.260 1.00 0.95 O ATOM 1002 CB VAL A 68 -1.647 -6.246 -5.589 1.00 0.47 C ATOM 1003 CG1 VAL A 68 -3.120 -5.971 -5.847 1.00 0.90 C ATOM 1004 CG2 VAL A 68 -1.354 -6.263 -4.093 1.00 0.89 C ATOM 0 H VAL A 68 -2.089 -8.663 -4.691 1.00 0.50 H new ATOM 0 HA VAL A 68 -1.478 -7.539 -7.312 1.00 0.48 H new ATOM 0 HB VAL A 68 -1.064 -5.440 -6.035 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -3.404 -5.033 -5.371 1.00 0.90 H new ATOM 0 HG12 VAL A 68 -3.294 -5.900 -6.921 1.00 0.90 H new ATOM 0 HG13 VAL A 68 -3.719 -6.783 -5.435 1.00 0.90 H new ATOM 0 HG21 VAL A 68 -1.667 -5.317 -3.650 1.00 0.89 H new ATOM 0 HG22 VAL A 68 -1.901 -7.081 -3.624 1.00 0.89 H new ATOM 0 HG23 VAL A 68 -0.285 -6.402 -3.933 1.00 0.89 H new ATOM 1014 N ASP A 69 1.030 -7.032 -6.978 1.00 0.38 N ATOM 1015 CA ASP A 69 2.487 -7.005 -6.909 1.00 0.43 C ATOM 1016 C ASP A 69 3.002 -5.579 -7.080 1.00 0.34 C ATOM 1017 O ASP A 69 4.171 -5.291 -6.811 1.00 0.41 O ATOM 1018 CB ASP A 69 3.109 -7.920 -7.975 1.00 0.65 C ATOM 1019 CG ASP A 69 2.814 -7.474 -9.394 1.00 0.97 C ATOM 1020 OD1 ASP A 69 1.671 -7.671 -9.857 1.00 1.65 O ATOM 1021 OD2 ASP A 69 3.723 -6.944 -10.060 1.00 1.75 O ATOM 0 H ASP A 69 0.637 -6.473 -7.735 1.00 0.38 H new ATOM 0 HA ASP A 69 2.782 -7.374 -5.927 1.00 0.43 H new ATOM 0 HB2 ASP A 69 4.189 -7.954 -7.829 1.00 0.65 H new ATOM 0 HB3 ASP A 69 2.736 -8.935 -7.835 1.00 0.65 H new ATOM 1026 N THR A 70 2.117 -4.684 -7.500 1.00 0.34 N ATOM 1027 CA THR A 70 2.477 -3.290 -7.703 1.00 0.31 C ATOM 1028 C THR A 70 1.544 -2.365 -6.915 1.00 0.28 C ATOM 1029 O THR A 70 0.338 -2.618 -6.818 1.00 0.28 O ATOM 1030 CB THR A 70 2.458 -2.923 -9.202 1.00 0.39 C ATOM 1031 OG1 THR A 70 1.241 -3.370 -9.817 1.00 0.50 O ATOM 1032 CG2 THR A 70 3.645 -3.546 -9.918 1.00 0.44 C ATOM 0 H THR A 70 1.142 -4.901 -7.707 1.00 0.34 H new ATOM 0 HA THR A 70 3.493 -3.153 -7.332 1.00 0.31 H new ATOM 0 HB THR A 70 2.520 -1.838 -9.283 1.00 0.39 H new ATOM 0 HG1 THR A 70 1.246 -3.127 -10.766 1.00 0.50 H new ATOM 0 HG21 THR A 70 3.615 -3.277 -10.974 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.571 -3.178 -9.476 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.601 -4.631 -9.819 1.00 0.44 H new ATOM 1040 N PRO A 71 2.109 -1.296 -6.324 1.00 0.29 N ATOM 1041 CA PRO A 71 1.376 -0.346 -5.465 1.00 0.29 C ATOM 1042 C PRO A 71 0.097 0.215 -6.094 1.00 0.27 C ATOM 1043 O PRO A 71 -0.936 0.304 -5.427 1.00 0.28 O ATOM 1044 CB PRO A 71 2.387 0.782 -5.257 1.00 0.34 C ATOM 1045 CG PRO A 71 3.712 0.121 -5.376 1.00 0.38 C ATOM 1046 CD PRO A 71 3.540 -0.947 -6.421 1.00 0.35 C ATOM 0 HA PRO A 71 1.032 -0.836 -4.554 1.00 0.29 H new ATOM 0 HB2 PRO A 71 2.266 1.566 -6.004 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.264 1.251 -4.281 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.481 0.835 -5.669 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.022 -0.309 -4.424 1.00 0.38 H new ATOM 0 HD2 PRO A 71 3.798 -0.581 -7.415 1.00 0.35 H new ATOM 0 HD3 PRO A 71 4.178 -1.809 -6.223 1.00 0.35 H new ATOM 1054 N ARG A 72 0.178 0.600 -7.366 1.00 0.32 N ATOM 1055 CA ARG A 72 -0.948 1.223 -8.060 1.00 0.37 C ATOM 1056 C ARG A 72 -2.212 0.382 -7.951 1.00 0.35 C ATOM 1057 O ARG A 72 -3.291 0.898 -7.651 1.00 0.38 O ATOM 1058 CB ARG A 72 -0.615 1.452 -9.534 1.00 0.49 C ATOM 1059 CG ARG A 72 -1.795 1.969 -10.344 1.00 0.83 C ATOM 1060 CD ARG A 72 -1.432 2.163 -11.802 1.00 1.15 C ATOM 1061 NE ARG A 72 -0.425 3.217 -11.976 1.00 1.76 N ATOM 1062 CZ ARG A 72 0.788 3.041 -12.521 1.00 2.72 C ATOM 1063 NH1 ARG A 72 1.184 1.847 -12.955 1.00 3.22 N ATOM 1064 NH2 ARG A 72 1.610 4.080 -12.650 1.00 3.56 N ATOM 0 H ARG A 72 1.015 0.491 -7.939 1.00 0.32 H new ATOM 0 HA ARG A 72 -1.130 2.182 -7.576 1.00 0.37 H new ATOM 0 HB2 ARG A 72 0.207 2.164 -9.607 1.00 0.49 H new ATOM 0 HB3 ARG A 72 -0.266 0.516 -9.970 1.00 0.49 H new ATOM 0 HG2 ARG A 72 -2.625 1.267 -10.266 1.00 0.83 H new ATOM 0 HG3 ARG A 72 -2.137 2.915 -9.925 1.00 0.83 H new ATOM 0 HD2 ARG A 72 -1.052 1.226 -12.210 1.00 1.15 H new ATOM 0 HD3 ARG A 72 -2.327 2.418 -12.369 1.00 1.15 H new ATOM 0 HE ARG A 72 -0.666 4.156 -11.658 1.00 1.76 H new ATOM 0 HH11 ARG A 72 0.561 1.043 -12.876 1.00 3.22 H new ATOM 0 HH12 ARG A 72 2.111 1.735 -13.366 1.00 3.22 H new ATOM 0 HH21 ARG A 72 1.316 5.005 -12.335 1.00 3.56 H new ATOM 0 HH22 ARG A 72 2.533 3.951 -13.064 1.00 3.56 H new ATOM 1078 N GLU A 73 -2.066 -0.915 -8.182 1.00 0.36 N ATOM 1079 CA GLU A 73 -3.202 -1.824 -8.190 1.00 0.39 C ATOM 1080 C GLU A 73 -3.802 -1.930 -6.796 1.00 0.36 C ATOM 1081 O GLU A 73 -5.016 -1.982 -6.639 1.00 0.38 O ATOM 1082 CB GLU A 73 -2.779 -3.207 -8.685 1.00 0.47 C ATOM 1083 CG GLU A 73 -1.815 -3.173 -9.865 1.00 0.56 C ATOM 1084 CD GLU A 73 -2.341 -2.389 -11.052 1.00 1.62 C ATOM 1085 OE1 GLU A 73 -3.047 -2.979 -11.886 1.00 1.91 O ATOM 1086 OE2 GLU A 73 -2.034 -1.185 -11.167 1.00 2.43 O ATOM 0 H GLU A 73 -1.168 -1.362 -8.367 1.00 0.36 H new ATOM 0 HA GLU A 73 -3.956 -1.427 -8.870 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -2.312 -3.749 -7.863 1.00 0.47 H new ATOM 0 HB3 GLU A 73 -3.669 -3.767 -8.972 1.00 0.47 H new ATOM 0 HG2 GLU A 73 -0.871 -2.736 -9.540 1.00 0.56 H new ATOM 0 HG3 GLU A 73 -1.602 -4.195 -10.180 1.00 0.56 H new ATOM 1093 N LEU A 74 -2.933 -1.944 -5.791 1.00 0.33 N ATOM 1094 CA LEU A 74 -3.354 -2.025 -4.398 1.00 0.34 C ATOM 1095 C LEU A 74 -4.132 -0.766 -4.013 1.00 0.33 C ATOM 1096 O LEU A 74 -5.180 -0.841 -3.372 1.00 0.36 O ATOM 1097 CB LEU A 74 -2.114 -2.201 -3.504 1.00 0.34 C ATOM 1098 CG LEU A 74 -2.365 -2.635 -2.048 1.00 0.45 C ATOM 1099 CD1 LEU A 74 -2.858 -1.475 -1.194 1.00 1.22 C ATOM 1100 CD2 LEU A 74 -3.361 -3.786 -1.996 1.00 0.98 C ATOM 0 H LEU A 74 -1.922 -1.900 -5.918 1.00 0.33 H new ATOM 0 HA LEU A 74 -4.012 -2.883 -4.260 1.00 0.34 H new ATOM 0 HB2 LEU A 74 -1.460 -2.938 -3.971 1.00 0.34 H new ATOM 0 HB3 LEU A 74 -1.570 -1.257 -3.488 1.00 0.34 H new ATOM 0 HG LEU A 74 -1.413 -2.972 -1.638 1.00 0.45 H new ATOM 0 HD11 LEU A 74 -3.024 -1.820 -0.173 1.00 1.22 H new ATOM 0 HD12 LEU A 74 -2.111 -0.681 -1.192 1.00 1.22 H new ATOM 0 HD13 LEU A 74 -3.793 -1.092 -1.604 1.00 1.22 H new ATOM 0 HD21 LEU A 74 -3.525 -4.078 -0.959 1.00 0.98 H new ATOM 0 HD22 LEU A 74 -4.306 -3.470 -2.438 1.00 0.98 H new ATOM 0 HD23 LEU A 74 -2.966 -4.635 -2.554 1.00 0.98 H new ATOM 1112 N LEU A 75 -3.600 0.382 -4.408 1.00 0.31 N ATOM 1113 CA LEU A 75 -4.237 1.669 -4.145 1.00 0.33 C ATOM 1114 C LEU A 75 -5.640 1.711 -4.764 1.00 0.35 C ATOM 1115 O LEU A 75 -6.618 2.055 -4.095 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.349 2.797 -4.701 1.00 0.35 C ATOM 1117 CG LEU A 75 -3.582 4.198 -4.121 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -2.370 5.080 -4.379 1.00 1.12 C ATOM 1119 CD2 LEU A 75 -4.812 4.842 -4.723 1.00 0.91 C ATOM 0 H LEU A 75 -2.719 0.450 -4.918 1.00 0.31 H new ATOM 0 HA LEU A 75 -4.349 1.807 -3.070 1.00 0.33 H new ATOM 0 HB2 LEU A 75 -2.307 2.526 -4.532 1.00 0.35 H new ATOM 0 HB3 LEU A 75 -3.494 2.846 -5.780 1.00 0.35 H new ATOM 0 HG LEU A 75 -3.736 4.093 -3.047 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -2.547 6.072 -3.963 1.00 1.12 H new ATOM 0 HD12 LEU A 75 -1.492 4.639 -3.906 1.00 1.12 H new ATOM 0 HD13 LEU A 75 -2.201 5.162 -5.453 1.00 1.12 H new ATOM 0 HD21 LEU A 75 -4.951 5.834 -4.292 1.00 0.91 H new ATOM 0 HD22 LEU A 75 -4.686 4.929 -5.802 1.00 0.91 H new ATOM 0 HD23 LEU A 75 -5.686 4.227 -4.509 1.00 0.91 H new ATOM 1131 N ASP A 76 -5.728 1.340 -6.039 1.00 0.39 N ATOM 1132 CA ASP A 76 -6.999 1.344 -6.764 1.00 0.44 C ATOM 1133 C ASP A 76 -7.963 0.316 -6.178 1.00 0.40 C ATOM 1134 O ASP A 76 -9.172 0.543 -6.116 1.00 0.43 O ATOM 1135 CB ASP A 76 -6.750 1.052 -8.248 1.00 0.55 C ATOM 1136 CG ASP A 76 -8.016 1.102 -9.080 1.00 0.93 C ATOM 1137 OD1 ASP A 76 -8.400 2.205 -9.524 1.00 1.16 O ATOM 1138 OD2 ASP A 76 -8.621 0.038 -9.312 1.00 1.43 O ATOM 0 H ASP A 76 -4.931 1.031 -6.595 1.00 0.39 H new ATOM 0 HA ASP A 76 -7.453 2.330 -6.663 1.00 0.44 H new ATOM 0 HB2 ASP A 76 -6.035 1.775 -8.640 1.00 0.55 H new ATOM 0 HB3 ASP A 76 -6.294 0.067 -8.348 1.00 0.55 H new ATOM 1143 N LEU A 77 -7.406 -0.796 -5.710 1.00 0.37 N ATOM 1144 CA LEU A 77 -8.185 -1.893 -5.153 1.00 0.38 C ATOM 1145 C LEU A 77 -9.000 -1.443 -3.941 1.00 0.34 C ATOM 1146 O LEU A 77 -10.214 -1.644 -3.888 1.00 0.39 O ATOM 1147 CB LEU A 77 -7.241 -3.031 -4.748 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.885 -4.194 -3.996 1.00 0.84 C ATOM 1149 CD1 LEU A 77 -8.831 -4.967 -4.901 1.00 1.29 C ATOM 1150 CD2 LEU A 77 -6.814 -5.112 -3.421 1.00 1.66 C ATOM 0 H LEU A 77 -6.399 -0.961 -5.707 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.883 -2.238 -5.916 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.768 -3.423 -5.648 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -6.448 -2.616 -4.126 1.00 0.46 H new ATOM 0 HG LEU A 77 -8.469 -3.788 -3.170 1.00 0.84 H new ATOM 0 HD11 LEU A 77 -9.277 -5.790 -4.343 1.00 1.29 H new ATOM 0 HD12 LEU A 77 -9.618 -4.302 -5.258 1.00 1.29 H new ATOM 0 HD13 LEU A 77 -8.277 -5.364 -5.752 1.00 1.29 H new ATOM 0 HD21 LEU A 77 -7.289 -5.936 -2.888 1.00 1.66 H new ATOM 0 HD22 LEU A 77 -6.202 -5.509 -4.231 1.00 1.66 H new ATOM 0 HD23 LEU A 77 -6.184 -4.549 -2.732 1.00 1.66 H new ATOM 1162 N ILE A 78 -8.326 -0.838 -2.968 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.985 -0.405 -1.738 1.00 0.31 C ATOM 1164 C ILE A 78 -10.020 0.682 -2.025 1.00 0.34 C ATOM 1165 O ILE A 78 -11.100 0.701 -1.431 1.00 0.41 O ATOM 1166 CB ILE A 78 -7.963 0.105 -0.698 1.00 0.33 C ATOM 1167 CG1 ILE A 78 -6.951 -1.000 -0.380 1.00 0.34 C ATOM 1168 CG2 ILE A 78 -8.670 0.562 0.572 1.00 0.38 C ATOM 1169 CD1 ILE A 78 -5.931 -0.615 0.672 1.00 0.40 C ATOM 0 H ILE A 78 -7.327 -0.636 -3.006 1.00 0.31 H new ATOM 0 HA ILE A 78 -9.493 -1.275 -1.322 1.00 0.31 H new ATOM 0 HB ILE A 78 -7.434 0.961 -1.117 1.00 0.33 H new ATOM 0 HG12 ILE A 78 -7.489 -1.886 -0.043 1.00 0.34 H new ATOM 0 HG13 ILE A 78 -6.428 -1.274 -1.296 1.00 0.34 H new ATOM 0 HG21 ILE A 78 -7.932 0.917 1.291 1.00 0.38 H new ATOM 0 HG22 ILE A 78 -9.362 1.370 0.333 1.00 0.38 H new ATOM 0 HG23 ILE A 78 -9.222 -0.274 1.002 1.00 0.38 H new ATOM 0 HD11 ILE A 78 -5.250 -1.449 0.841 1.00 0.40 H new ATOM 0 HD12 ILE A 78 -5.365 0.251 0.330 1.00 0.40 H new ATOM 0 HD13 ILE A 78 -6.443 -0.370 1.603 1.00 0.40 H new ATOM 1181 N ASN A 79 -9.698 1.567 -2.961 1.00 0.36 N ATOM 1182 CA ASN A 79 -10.603 2.653 -3.325 1.00 0.44 C ATOM 1183 C ASN A 79 -11.868 2.120 -3.978 1.00 0.44 C ATOM 1184 O ASN A 79 -12.917 2.758 -3.911 1.00 0.49 O ATOM 1185 CB ASN A 79 -9.916 3.659 -4.253 1.00 0.53 C ATOM 1186 CG ASN A 79 -8.969 4.565 -3.499 1.00 0.71 C ATOM 1187 OD1 ASN A 79 -9.189 4.861 -2.327 1.00 1.67 O ATOM 1188 ND2 ASN A 79 -7.923 5.025 -4.162 1.00 0.78 N ATOM 0 H ASN A 79 -8.820 1.555 -3.481 1.00 0.36 H new ATOM 0 HA ASN A 79 -10.880 3.166 -2.404 1.00 0.44 H new ATOM 0 HB2 ASN A 79 -9.367 3.123 -5.027 1.00 0.53 H new ATOM 0 HB3 ASN A 79 -10.671 4.262 -4.758 1.00 0.53 H new ATOM 0 HD21 ASN A 79 -7.262 5.650 -3.701 1.00 0.78 H new ATOM 0 HD22 ASN A 79 -7.777 4.755 -5.135 1.00 0.78 H new ATOM 1195 N GLY A 80 -11.774 0.950 -4.596 1.00 0.43 N ATOM 1196 CA GLY A 80 -12.949 0.325 -5.173 1.00 0.47 C ATOM 1197 C GLY A 80 -14.027 0.079 -4.132 1.00 0.48 C ATOM 1198 O GLY A 80 -15.213 0.278 -4.395 1.00 0.54 O ATOM 0 H GLY A 80 -10.908 0.423 -4.708 1.00 0.43 H new ATOM 0 HA2 GLY A 80 -13.347 0.960 -5.965 1.00 0.47 H new ATOM 0 HA3 GLY A 80 -12.667 -0.621 -5.635 1.00 0.47 H new ATOM 1202 N ALA A 81 -13.607 -0.321 -2.936 1.00 0.49 N ATOM 1203 CA ALA A 81 -14.534 -0.599 -1.847 1.00 0.56 C ATOM 1204 C ALA A 81 -15.100 0.694 -1.261 1.00 0.61 C ATOM 1205 O ALA A 81 -16.215 0.716 -0.735 1.00 0.73 O ATOM 1206 CB ALA A 81 -13.838 -1.419 -0.767 1.00 0.60 C ATOM 0 H ALA A 81 -12.625 -0.460 -2.697 1.00 0.49 H new ATOM 0 HA ALA A 81 -15.369 -1.176 -2.245 1.00 0.56 H new ATOM 0 HB1 ALA A 81 -14.538 -1.622 0.043 1.00 0.60 H new ATOM 0 HB2 ALA A 81 -13.491 -2.361 -1.192 1.00 0.60 H new ATOM 0 HB3 ALA A 81 -12.986 -0.861 -0.379 1.00 0.60 H new ATOM 1212 N LEU A 82 -14.333 1.768 -1.361 1.00 0.57 N ATOM 1213 CA LEU A 82 -14.750 3.063 -0.838 1.00 0.64 C ATOM 1214 C LEU A 82 -15.680 3.773 -1.820 1.00 0.70 C ATOM 1215 O LEU A 82 -16.639 4.433 -1.417 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.525 3.938 -0.553 1.00 0.64 C ATOM 1217 CG LEU A 82 -12.547 3.388 0.492 1.00 0.52 C ATOM 1218 CD1 LEU A 82 -11.328 4.293 0.607 1.00 0.83 C ATOM 1219 CD2 LEU A 82 -13.241 3.251 1.838 1.00 0.85 C ATOM 0 H LEU A 82 -13.413 1.770 -1.802 1.00 0.57 H new ATOM 0 HA LEU A 82 -15.293 2.895 0.092 1.00 0.64 H new ATOM 0 HB2 LEU A 82 -12.984 4.089 -1.487 1.00 0.64 H new ATOM 0 HB3 LEU A 82 -13.870 4.918 -0.222 1.00 0.64 H new ATOM 0 HG LEU A 82 -12.211 2.401 0.173 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -10.644 3.889 1.353 1.00 0.83 H new ATOM 0 HD12 LEU A 82 -10.823 4.347 -0.357 1.00 0.83 H new ATOM 0 HD13 LEU A 82 -11.644 5.292 0.908 1.00 0.83 H new ATOM 0 HD21 LEU A 82 -12.537 2.860 2.572 1.00 0.85 H new ATOM 0 HD22 LEU A 82 -13.599 4.228 2.164 1.00 0.85 H new ATOM 0 HD23 LEU A 82 -14.085 2.568 1.744 1.00 0.85 H new ATOM 1231 N ALA A 83 -15.402 3.614 -3.111 1.00 0.63 N ATOM 1232 CA ALA A 83 -16.166 4.287 -4.158 1.00 0.71 C ATOM 1233 C ALA A 83 -17.612 3.803 -4.200 1.00 0.85 C ATOM 1234 O ALA A 83 -18.513 4.541 -4.600 1.00 1.05 O ATOM 1235 CB ALA A 83 -15.500 4.081 -5.512 1.00 0.70 C ATOM 0 H ALA A 83 -14.648 3.021 -3.459 1.00 0.63 H new ATOM 0 HA ALA A 83 -16.181 5.352 -3.925 1.00 0.71 H new ATOM 0 HB1 ALA A 83 -16.080 4.588 -6.283 1.00 0.70 H new ATOM 0 HB2 ALA A 83 -14.491 4.492 -5.487 1.00 0.70 H new ATOM 0 HB3 ALA A 83 -15.452 3.015 -5.736 1.00 0.70 H new