USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot -61:sc= 0.973 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 17 SER OG : rot 83:sc= 0.692 USER MOD Single : A 40 TYR OH : rot 100:sc= -1.22 USER MOD Single : A 42 SER OG : rot 180:sc= 0.00984 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 64:sc= 0.516 USER MOD Single : A 54 SER OG : rot -75:sc= 1.29 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.538 K(o=-0.54,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 12.189 7.621 1.999 1.00 0.91 N ATOM 45 CA LEU A 4 11.167 6.629 2.166 1.00 0.65 C ATOM 46 C LEU A 4 9.825 7.160 1.706 1.00 0.63 C ATOM 47 O LEU A 4 9.698 8.334 1.332 1.00 0.84 O ATOM 48 CB LEU A 4 11.101 6.188 3.637 1.00 0.62 C ATOM 49 CG LEU A 4 12.387 5.584 4.224 1.00 0.65 C ATOM 50 CD1 LEU A 4 12.185 5.208 5.680 1.00 0.80 C ATOM 51 CD2 LEU A 4 12.836 4.370 3.420 1.00 0.51 C ATOM 0 HA LEU A 4 11.415 5.764 1.551 1.00 0.65 H new ATOM 0 HB2 LEU A 4 10.821 7.051 4.241 1.00 0.62 H new ATOM 0 HB3 LEU A 4 10.301 5.455 3.739 1.00 0.62 H new ATOM 0 HG LEU A 4 13.170 6.340 4.166 1.00 0.65 H new ATOM 0 HD11 LEU A 4 13.107 4.782 6.077 1.00 0.80 H new ATOM 0 HD12 LEU A 4 11.920 6.097 6.252 1.00 0.80 H new ATOM 0 HD13 LEU A 4 11.383 4.474 5.758 1.00 0.80 H new ATOM 0 HD21 LEU A 4 13.748 3.962 3.856 1.00 0.51 H new ATOM 0 HD22 LEU A 4 12.053 3.611 3.439 1.00 0.51 H new ATOM 0 HD23 LEU A 4 13.028 4.667 2.389 1.00 0.51 H new ATOM 63 N LEU A 5 8.841 6.309 1.726 1.00 0.44 N ATOM 64 CA LEU A 5 7.513 6.659 1.327 1.00 0.40 C ATOM 65 C LEU A 5 6.789 7.250 2.487 1.00 0.35 C ATOM 66 O LEU A 5 6.906 6.763 3.623 1.00 0.41 O ATOM 67 CB LEU A 5 6.750 5.438 0.847 1.00 0.41 C ATOM 68 CG LEU A 5 7.360 4.683 -0.305 1.00 0.59 C ATOM 69 CD1 LEU A 5 6.456 3.551 -0.720 1.00 0.72 C ATOM 70 CD2 LEU A 5 7.607 5.614 -1.451 1.00 0.81 C ATOM 0 H LEU A 5 8.942 5.339 2.025 1.00 0.44 H new ATOM 0 HA LEU A 5 7.579 7.378 0.510 1.00 0.40 H new ATOM 0 HB2 LEU A 5 6.639 4.751 1.686 1.00 0.41 H new ATOM 0 HB3 LEU A 5 5.747 5.752 0.558 1.00 0.41 H new ATOM 0 HG LEU A 5 8.314 4.260 0.009 1.00 0.59 H new ATOM 0 HD11 LEU A 5 6.907 3.012 -1.553 1.00 0.72 H new ATOM 0 HD12 LEU A 5 6.317 2.870 0.120 1.00 0.72 H new ATOM 0 HD13 LEU A 5 5.490 3.951 -1.027 1.00 0.72 H new ATOM 0 HD21 LEU A 5 8.048 5.061 -2.280 1.00 0.81 H new ATOM 0 HD22 LEU A 5 6.663 6.056 -1.771 1.00 0.81 H new ATOM 0 HD23 LEU A 5 8.290 6.404 -1.138 1.00 0.81 H new ATOM 82 N THR A 6 6.055 8.267 2.226 1.00 0.37 N ATOM 83 CA THR A 6 5.314 8.920 3.236 1.00 0.42 C ATOM 84 C THR A 6 3.859 8.483 3.163 1.00 0.35 C ATOM 85 O THR A 6 3.504 7.623 2.326 1.00 0.34 O ATOM 86 CB THR A 6 5.426 10.451 3.104 1.00 0.59 C ATOM 87 OG1 THR A 6 4.996 10.872 1.783 1.00 0.65 O ATOM 88 CG2 THR A 6 6.855 10.911 3.349 1.00 0.72 C ATOM 0 H THR A 6 5.951 8.673 1.296 1.00 0.37 H new ATOM 0 HA THR A 6 5.725 8.641 4.206 1.00 0.42 H new ATOM 0 HB THR A 6 4.780 10.905 3.855 1.00 0.59 H new ATOM 0 HG1 THR A 6 5.575 10.465 1.105 1.00 0.65 H new ATOM 0 HG21 THR A 6 6.910 11.995 3.251 1.00 0.72 H new ATOM 0 HG22 THR A 6 7.163 10.622 4.354 1.00 0.72 H new ATOM 0 HG23 THR A 6 7.517 10.446 2.618 1.00 0.72 H new ATOM 96 N THR A 7 3.027 9.053 4.013 1.00 0.40 N ATOM 97 CA THR A 7 1.623 8.773 4.013 1.00 0.43 C ATOM 98 C THR A 7 1.034 9.104 2.642 1.00 0.41 C ATOM 99 O THR A 7 0.243 8.350 2.117 1.00 0.43 O ATOM 100 CB THR A 7 0.911 9.607 5.067 1.00 0.58 C ATOM 101 OG1 THR A 7 1.679 9.612 6.287 1.00 0.69 O ATOM 102 CG2 THR A 7 -0.466 9.023 5.349 1.00 0.66 C ATOM 0 H THR A 7 3.318 9.725 4.723 1.00 0.40 H new ATOM 0 HA THR A 7 1.483 7.716 4.238 1.00 0.43 H new ATOM 0 HB THR A 7 0.805 10.626 4.695 1.00 0.58 H new ATOM 0 HG1 THR A 7 1.217 10.152 6.962 1.00 0.69 H new ATOM 0 HG21 THR A 7 -0.969 9.626 6.105 1.00 0.66 H new ATOM 0 HG22 THR A 7 -1.056 9.023 4.433 1.00 0.66 H new ATOM 0 HG23 THR A 7 -0.360 8.001 5.712 1.00 0.66 H new ATOM 110 N ASP A 8 1.450 10.245 2.079 1.00 0.44 N ATOM 111 CA ASP A 8 0.955 10.721 0.774 1.00 0.51 C ATOM 112 C ASP A 8 1.209 9.718 -0.335 1.00 0.47 C ATOM 113 O ASP A 8 0.307 9.417 -1.128 1.00 0.52 O ATOM 114 CB ASP A 8 1.581 12.058 0.390 1.00 0.63 C ATOM 115 CG ASP A 8 1.025 12.579 -0.921 1.00 1.46 C ATOM 116 OD1 ASP A 8 -0.090 13.137 -0.910 1.00 1.63 O ATOM 117 OD2 ASP A 8 1.669 12.415 -1.969 1.00 2.38 O ATOM 0 H ASP A 8 2.136 10.865 2.510 1.00 0.44 H new ATOM 0 HA ASP A 8 -0.121 10.848 0.889 1.00 0.51 H new ATOM 0 HB2 ASP A 8 1.396 12.787 1.179 1.00 0.63 H new ATOM 0 HB3 ASP A 8 2.662 11.944 0.308 1.00 0.63 H new ATOM 122 N ASP A 9 2.414 9.145 -0.340 1.00 0.45 N ATOM 123 CA ASP A 9 2.824 8.176 -1.378 1.00 0.49 C ATOM 124 C ASP A 9 1.942 6.975 -1.301 1.00 0.47 C ATOM 125 O ASP A 9 1.465 6.458 -2.311 1.00 0.56 O ATOM 126 CB ASP A 9 4.271 7.686 -1.171 1.00 0.60 C ATOM 127 CG ASP A 9 5.317 8.751 -1.282 1.00 1.11 C ATOM 128 OD1 ASP A 9 5.751 9.056 -2.422 1.00 1.08 O ATOM 129 OD2 ASP A 9 5.702 9.325 -0.249 1.00 2.00 O ATOM 0 H ASP A 9 3.130 9.331 0.362 1.00 0.45 H new ATOM 0 HA ASP A 9 2.748 8.682 -2.340 1.00 0.49 H new ATOM 0 HB2 ASP A 9 4.346 7.224 -0.186 1.00 0.60 H new ATOM 0 HB3 ASP A 9 4.485 6.909 -1.905 1.00 0.60 H new ATOM 134 N LEU A 10 1.721 6.546 -0.090 1.00 0.42 N ATOM 135 CA LEU A 10 0.894 5.411 0.196 1.00 0.44 C ATOM 136 C LEU A 10 -0.547 5.726 -0.177 1.00 0.42 C ATOM 137 O LEU A 10 -1.182 4.985 -0.905 1.00 0.50 O ATOM 138 CB LEU A 10 0.977 5.129 1.680 1.00 0.45 C ATOM 139 CG LEU A 10 0.455 3.777 2.154 1.00 0.48 C ATOM 140 CD1 LEU A 10 1.255 2.641 1.534 1.00 0.66 C ATOM 141 CD2 LEU A 10 0.511 3.706 3.662 1.00 0.80 C ATOM 0 H LEU A 10 2.119 6.985 0.740 1.00 0.42 H new ATOM 0 HA LEU A 10 1.230 4.545 -0.375 1.00 0.44 H new ATOM 0 HB2 LEU A 10 2.020 5.216 1.984 1.00 0.45 H new ATOM 0 HB3 LEU A 10 0.426 5.909 2.205 1.00 0.45 H new ATOM 0 HG LEU A 10 -0.581 3.670 1.834 1.00 0.48 H new ATOM 0 HD11 LEU A 10 0.865 1.686 1.887 1.00 0.66 H new ATOM 0 HD12 LEU A 10 1.172 2.688 0.448 1.00 0.66 H new ATOM 0 HD13 LEU A 10 2.302 2.734 1.822 1.00 0.66 H new ATOM 0 HD21 LEU A 10 0.137 2.738 3.995 1.00 0.80 H new ATOM 0 HD22 LEU A 10 1.542 3.830 3.994 1.00 0.80 H new ATOM 0 HD23 LEU A 10 -0.105 4.499 4.087 1.00 0.80 H new ATOM 153 N ARG A 11 -1.013 6.863 0.314 1.00 0.40 N ATOM 154 CA ARG A 11 -2.390 7.344 0.148 1.00 0.41 C ATOM 155 C ARG A 11 -2.820 7.283 -1.299 1.00 0.40 C ATOM 156 O ARG A 11 -3.838 6.651 -1.633 1.00 0.42 O ATOM 157 CB ARG A 11 -2.522 8.795 0.636 1.00 0.48 C ATOM 158 CG ARG A 11 -3.960 9.257 0.762 1.00 0.58 C ATOM 159 CD ARG A 11 -4.068 10.751 1.018 1.00 0.72 C ATOM 160 NE ARG A 11 -3.459 11.179 2.283 1.00 1.24 N ATOM 161 CZ ARG A 11 -3.961 12.146 3.067 1.00 1.74 C ATOM 162 NH1 ARG A 11 -5.061 12.809 2.702 1.00 2.01 N ATOM 163 NH2 ARG A 11 -3.341 12.474 4.184 1.00 2.57 N ATOM 0 H ARG A 11 -0.432 7.502 0.857 1.00 0.40 H new ATOM 0 HA ARG A 11 -3.031 6.693 0.743 1.00 0.41 H new ATOM 0 HB2 ARG A 11 -2.031 8.891 1.604 1.00 0.48 H new ATOM 0 HB3 ARG A 11 -1.996 9.453 -0.056 1.00 0.48 H new ATOM 0 HG2 ARG A 11 -4.500 9.008 -0.151 1.00 0.58 H new ATOM 0 HG3 ARG A 11 -4.443 8.716 1.576 1.00 0.58 H new ATOM 0 HD2 ARG A 11 -3.592 11.287 0.197 1.00 0.72 H new ATOM 0 HD3 ARG A 11 -5.120 11.036 1.017 1.00 0.72 H new ATOM 0 HE ARG A 11 -2.603 10.714 2.584 1.00 1.24 H new ATOM 0 HH11 ARG A 11 -5.525 12.582 1.823 1.00 2.01 H new ATOM 0 HH12 ARG A 11 -5.437 13.543 3.303 1.00 2.01 H new ATOM 0 HH21 ARG A 11 -2.482 11.993 4.451 1.00 2.57 H new ATOM 0 HH22 ARG A 11 -3.721 13.209 4.781 1.00 2.57 H new ATOM 177 N ARG A 12 -2.061 7.951 -2.152 1.00 0.43 N ATOM 178 CA ARG A 12 -2.363 7.962 -3.560 1.00 0.49 C ATOM 179 C ARG A 12 -2.297 6.560 -4.172 1.00 0.49 C ATOM 180 O ARG A 12 -3.170 6.187 -4.924 1.00 0.59 O ATOM 181 CB ARG A 12 -1.517 8.966 -4.359 1.00 0.64 C ATOM 182 CG ARG A 12 -0.012 8.760 -4.257 1.00 0.85 C ATOM 183 CD ARG A 12 0.727 9.610 -5.269 1.00 1.00 C ATOM 184 NE ARG A 12 0.381 9.214 -6.639 1.00 1.77 N ATOM 185 CZ ARG A 12 0.907 9.707 -7.763 1.00 2.43 C ATOM 186 NH1 ARG A 12 1.867 10.626 -7.721 1.00 2.51 N ATOM 187 NH2 ARG A 12 0.454 9.276 -8.933 1.00 3.48 N ATOM 0 H ARG A 12 -1.235 8.489 -1.888 1.00 0.43 H new ATOM 0 HA ARG A 12 -3.394 8.308 -3.635 1.00 0.49 H new ATOM 0 HB2 ARG A 12 -1.807 8.909 -5.408 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.755 9.973 -4.017 1.00 0.64 H new ATOM 0 HG2 ARG A 12 0.325 9.012 -3.251 1.00 0.85 H new ATOM 0 HG3 ARG A 12 0.226 7.709 -4.419 1.00 0.85 H new ATOM 0 HD2 ARG A 12 0.480 10.661 -5.117 1.00 1.00 H new ATOM 0 HD3 ARG A 12 1.802 9.510 -5.118 1.00 1.00 H new ATOM 0 HE ARG A 12 -0.331 8.491 -6.743 1.00 1.77 H new ATOM 0 HH11 ARG A 12 2.211 10.963 -6.822 1.00 2.51 H new ATOM 0 HH12 ARG A 12 2.259 10.994 -8.588 1.00 2.51 H new ATOM 0 HH21 ARG A 12 -0.287 8.576 -8.966 1.00 3.48 H new ATOM 0 HH22 ARG A 12 0.847 9.644 -9.799 1.00 3.48 H new ATOM 201 N ALA A 13 -1.307 5.765 -3.772 1.00 0.50 N ATOM 202 CA ALA A 13 -1.123 4.434 -4.349 1.00 0.59 C ATOM 203 C ALA A 13 -2.322 3.552 -4.068 1.00 0.55 C ATOM 204 O ALA A 13 -2.747 2.781 -4.934 1.00 0.65 O ATOM 205 CB ALA A 13 0.134 3.789 -3.821 1.00 0.70 C ATOM 0 H ALA A 13 -0.625 6.016 -3.057 1.00 0.50 H new ATOM 0 HA ALA A 13 -1.026 4.550 -5.428 1.00 0.59 H new ATOM 0 HB1 ALA A 13 0.249 2.800 -4.264 1.00 0.70 H new ATOM 0 HB2 ALA A 13 0.995 4.405 -4.079 1.00 0.70 H new ATOM 0 HB3 ALA A 13 0.067 3.695 -2.737 1.00 0.70 H new ATOM 211 N LEU A 14 -2.878 3.688 -2.870 1.00 0.47 N ATOM 212 CA LEU A 14 -4.097 2.988 -2.516 1.00 0.48 C ATOM 213 C LEU A 14 -5.236 3.470 -3.399 1.00 0.53 C ATOM 214 O LEU A 14 -5.885 2.676 -4.110 1.00 0.70 O ATOM 215 CB LEU A 14 -4.498 3.221 -1.022 1.00 0.48 C ATOM 216 CG LEU A 14 -3.902 2.309 0.086 1.00 0.56 C ATOM 217 CD1 LEU A 14 -4.293 0.863 -0.117 1.00 0.52 C ATOM 218 CD2 LEU A 14 -2.403 2.440 0.214 1.00 0.92 C ATOM 0 H LEU A 14 -2.500 4.279 -2.129 1.00 0.47 H new ATOM 0 HA LEU A 14 -3.912 1.924 -2.662 1.00 0.48 H new ATOM 0 HB2 LEU A 14 -4.238 4.250 -0.772 1.00 0.48 H new ATOM 0 HB3 LEU A 14 -5.583 3.142 -0.960 1.00 0.48 H new ATOM 0 HG LEU A 14 -4.333 2.657 1.025 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -3.859 0.254 0.676 1.00 0.52 H new ATOM 0 HD12 LEU A 14 -5.379 0.773 -0.091 1.00 0.52 H new ATOM 0 HD13 LEU A 14 -3.924 0.518 -1.083 1.00 0.52 H new ATOM 0 HD21 LEU A 14 -2.046 1.779 1.004 1.00 0.92 H new ATOM 0 HD22 LEU A 14 -1.932 2.165 -0.730 1.00 0.92 H new ATOM 0 HD23 LEU A 14 -2.148 3.471 0.461 1.00 0.92 H new ATOM 230 N VAL A 15 -5.476 4.771 -3.368 1.00 0.49 N ATOM 231 CA VAL A 15 -6.611 5.361 -4.048 1.00 0.60 C ATOM 232 C VAL A 15 -6.598 5.117 -5.581 1.00 0.66 C ATOM 233 O VAL A 15 -7.609 4.700 -6.156 1.00 0.87 O ATOM 234 CB VAL A 15 -6.815 6.864 -3.659 1.00 0.64 C ATOM 235 CG1 VAL A 15 -5.854 7.761 -4.310 1.00 0.88 C ATOM 236 CG2 VAL A 15 -8.237 7.312 -3.862 1.00 0.84 C ATOM 0 H VAL A 15 -4.890 5.443 -2.872 1.00 0.49 H new ATOM 0 HA VAL A 15 -7.494 4.833 -3.688 1.00 0.60 H new ATOM 0 HB VAL A 15 -6.609 6.929 -2.591 1.00 0.64 H new ATOM 0 HG11 VAL A 15 -6.047 8.788 -4.000 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -4.841 7.480 -4.022 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -5.959 7.683 -5.392 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -8.332 8.360 -3.580 1.00 0.84 H new ATOM 0 HG22 VAL A 15 -8.510 7.192 -4.910 1.00 0.84 H new ATOM 0 HG23 VAL A 15 -8.901 6.708 -3.243 1.00 0.84 H new ATOM 246 N GLU A 16 -5.435 5.285 -6.206 1.00 0.64 N ATOM 247 CA GLU A 16 -5.276 5.134 -7.652 1.00 0.77 C ATOM 248 C GLU A 16 -5.517 3.700 -8.101 1.00 0.70 C ATOM 249 O GLU A 16 -6.090 3.462 -9.161 1.00 0.81 O ATOM 250 CB GLU A 16 -3.879 5.564 -8.081 1.00 0.95 C ATOM 251 CG GLU A 16 -3.557 7.013 -7.791 1.00 1.63 C ATOM 252 CD GLU A 16 -2.141 7.365 -8.146 1.00 1.66 C ATOM 253 OE1 GLU A 16 -1.239 7.200 -7.322 1.00 1.92 O ATOM 254 OE2 GLU A 16 -1.899 7.830 -9.280 1.00 2.10 O ATOM 0 H GLU A 16 -4.572 5.531 -5.722 1.00 0.64 H new ATOM 0 HA GLU A 16 -6.022 5.773 -8.125 1.00 0.77 H new ATOM 0 HB2 GLU A 16 -3.147 4.933 -7.577 1.00 0.95 H new ATOM 0 HB3 GLU A 16 -3.770 5.387 -9.151 1.00 0.95 H new ATOM 0 HG2 GLU A 16 -4.239 7.653 -8.350 1.00 1.63 H new ATOM 0 HG3 GLU A 16 -3.725 7.215 -6.733 1.00 1.63 H new ATOM 261 N SER A 17 -5.121 2.761 -7.284 1.00 0.58 N ATOM 262 CA SER A 17 -5.223 1.360 -7.637 1.00 0.61 C ATOM 263 C SER A 17 -6.638 0.808 -7.435 1.00 0.69 C ATOM 264 O SER A 17 -6.974 -0.272 -7.922 1.00 0.82 O ATOM 265 CB SER A 17 -4.211 0.579 -6.844 1.00 0.57 C ATOM 266 OG SER A 17 -2.914 1.135 -7.042 1.00 1.00 O ATOM 0 H SER A 17 -4.721 2.937 -6.362 1.00 0.58 H new ATOM 0 HA SER A 17 -5.010 1.256 -8.701 1.00 0.61 H new ATOM 0 HB2 SER A 17 -4.469 0.601 -5.785 1.00 0.57 H new ATOM 0 HB3 SER A 17 -4.220 -0.466 -7.153 1.00 0.57 H new ATOM 0 HG SER A 17 -2.793 1.903 -6.446 1.00 1.00 H new ATOM 400 N ASP A 29 -7.999 10.294 4.506 1.00 0.68 N ATOM 401 CA ASP A 29 -7.203 9.663 5.565 1.00 0.75 C ATOM 402 C ASP A 29 -7.542 8.185 5.637 1.00 0.61 C ATOM 403 O ASP A 29 -8.699 7.794 5.438 1.00 0.71 O ATOM 404 CB ASP A 29 -7.403 10.339 6.945 1.00 1.18 C ATOM 405 CG ASP A 29 -8.763 10.098 7.577 1.00 1.63 C ATOM 406 OD1 ASP A 29 -9.747 10.773 7.190 1.00 2.17 O ATOM 407 OD2 ASP A 29 -8.884 9.211 8.460 1.00 2.14 O ATOM 0 HA ASP A 29 -6.151 9.789 5.311 1.00 0.75 H new ATOM 0 HB2 ASP A 29 -6.632 9.979 7.626 1.00 1.18 H new ATOM 0 HB3 ASP A 29 -7.254 11.413 6.834 1.00 1.18 H new ATOM 412 N PHE A 30 -6.544 7.371 5.893 1.00 0.48 N ATOM 413 CA PHE A 30 -6.727 5.922 5.822 1.00 0.41 C ATOM 414 C PHE A 30 -5.656 5.171 6.632 1.00 0.34 C ATOM 415 O PHE A 30 -5.823 4.007 6.943 1.00 0.34 O ATOM 416 CB PHE A 30 -6.578 5.517 4.334 1.00 0.47 C ATOM 417 CG PHE A 30 -5.149 5.517 3.843 1.00 0.39 C ATOM 418 CD1 PHE A 30 -4.412 6.691 3.791 1.00 0.61 C ATOM 419 CD2 PHE A 30 -4.537 4.338 3.479 1.00 0.44 C ATOM 420 CE1 PHE A 30 -3.109 6.682 3.387 1.00 0.71 C ATOM 421 CE2 PHE A 30 -3.227 4.328 3.075 1.00 0.52 C ATOM 422 CZ PHE A 30 -2.514 5.501 3.029 1.00 0.60 C ATOM 0 H PHE A 30 -5.604 7.673 6.150 1.00 0.48 H new ATOM 0 HA PHE A 30 -7.704 5.665 6.232 1.00 0.41 H new ATOM 0 HB2 PHE A 30 -7.001 4.522 4.194 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -7.163 6.202 3.720 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -4.876 7.624 4.074 1.00 0.61 H new ATOM 0 HD2 PHE A 30 -5.094 3.413 3.512 1.00 0.44 H new ATOM 0 HE1 PHE A 30 -2.548 7.604 3.349 1.00 0.71 H new ATOM 0 HE2 PHE A 30 -2.756 3.398 2.793 1.00 0.52 H new ATOM 0 HZ PHE A 30 -1.482 5.492 2.710 1.00 0.60 H new ATOM 432 N LEU A 31 -4.574 5.877 6.960 1.00 0.36 N ATOM 433 CA LEU A 31 -3.329 5.328 7.517 1.00 0.36 C ATOM 434 C LEU A 31 -3.489 4.295 8.665 1.00 0.35 C ATOM 435 O LEU A 31 -2.688 3.350 8.763 1.00 0.37 O ATOM 436 CB LEU A 31 -2.422 6.485 7.933 1.00 0.44 C ATOM 437 CG LEU A 31 -1.016 6.133 8.400 1.00 0.51 C ATOM 438 CD1 LEU A 31 -0.220 5.473 7.280 1.00 0.52 C ATOM 439 CD2 LEU A 31 -0.310 7.380 8.894 1.00 0.64 C ATOM 0 H LEU A 31 -4.535 6.889 6.842 1.00 0.36 H new ATOM 0 HA LEU A 31 -2.879 4.740 6.717 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -2.336 7.168 7.088 1.00 0.44 H new ATOM 0 HB3 LEU A 31 -2.918 7.031 8.735 1.00 0.44 H new ATOM 0 HG LEU A 31 -1.090 5.420 9.221 1.00 0.51 H new ATOM 0 HD11 LEU A 31 0.781 5.231 7.638 1.00 0.52 H new ATOM 0 HD12 LEU A 31 -0.724 4.559 6.966 1.00 0.52 H new ATOM 0 HD13 LEU A 31 -0.147 6.156 6.434 1.00 0.52 H new ATOM 0 HD21 LEU A 31 0.695 7.121 9.227 1.00 0.64 H new ATOM 0 HD22 LEU A 31 -0.248 8.108 8.085 1.00 0.64 H new ATOM 0 HD23 LEU A 31 -0.868 7.809 9.726 1.00 0.64 H new ATOM 451 N ASP A 32 -4.480 4.462 9.510 1.00 0.38 N ATOM 452 CA ASP A 32 -4.663 3.538 10.637 1.00 0.45 C ATOM 453 C ASP A 32 -5.788 2.530 10.383 1.00 0.41 C ATOM 454 O ASP A 32 -5.887 1.498 11.056 1.00 0.47 O ATOM 455 CB ASP A 32 -4.931 4.320 11.927 1.00 0.64 C ATOM 456 CG ASP A 32 -5.084 3.434 13.141 1.00 1.55 C ATOM 457 OD1 ASP A 32 -4.084 2.849 13.599 1.00 2.06 O ATOM 458 OD2 ASP A 32 -6.201 3.339 13.690 1.00 2.29 O ATOM 0 H ASP A 32 -5.169 5.212 9.452 1.00 0.38 H new ATOM 0 HA ASP A 32 -3.738 2.971 10.744 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -4.112 5.019 12.097 1.00 0.64 H new ATOM 0 HB3 ASP A 32 -5.837 4.914 11.802 1.00 0.64 H new ATOM 463 N LEU A 33 -6.588 2.791 9.392 1.00 0.41 N ATOM 464 CA LEU A 33 -7.747 1.960 9.115 1.00 0.45 C ATOM 465 C LEU A 33 -7.321 0.787 8.262 1.00 0.44 C ATOM 466 O LEU A 33 -6.522 0.951 7.356 1.00 0.56 O ATOM 467 CB LEU A 33 -8.806 2.769 8.374 1.00 0.51 C ATOM 468 CG LEU A 33 -9.249 4.080 9.023 1.00 0.85 C ATOM 469 CD1 LEU A 33 -10.296 4.755 8.164 1.00 1.65 C ATOM 470 CD2 LEU A 33 -9.775 3.848 10.433 1.00 1.61 C ATOM 0 H LEU A 33 -6.467 3.576 8.752 1.00 0.41 H new ATOM 0 HA LEU A 33 -8.168 1.603 10.055 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -8.426 2.994 7.378 1.00 0.51 H new ATOM 0 HB3 LEU A 33 -9.686 2.139 8.245 1.00 0.51 H new ATOM 0 HG LEU A 33 -8.381 4.735 9.100 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -10.606 5.688 8.634 1.00 1.65 H new ATOM 0 HD12 LEU A 33 -9.878 4.966 7.180 1.00 1.65 H new ATOM 0 HD13 LEU A 33 -11.159 4.098 8.059 1.00 1.65 H new ATOM 0 HD21 LEU A 33 -10.082 4.799 10.868 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -10.630 3.173 10.396 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -8.990 3.405 11.046 1.00 1.61 H new ATOM 482 N ARG A 34 -7.853 -0.388 8.528 1.00 0.45 N ATOM 483 CA ARG A 34 -7.439 -1.550 7.774 1.00 0.50 C ATOM 484 C ARG A 34 -8.037 -1.499 6.369 1.00 0.45 C ATOM 485 O ARG A 34 -9.166 -1.041 6.192 1.00 0.54 O ATOM 486 CB ARG A 34 -7.835 -2.863 8.468 1.00 0.71 C ATOM 487 CG ARG A 34 -7.242 -4.062 7.760 1.00 1.08 C ATOM 488 CD ARG A 34 -7.648 -5.385 8.323 1.00 1.18 C ATOM 489 NE ARG A 34 -7.303 -5.570 9.727 1.00 1.90 N ATOM 490 CZ ARG A 34 -7.790 -6.560 10.485 1.00 2.49 C ATOM 491 NH1 ARG A 34 -8.721 -7.386 10.001 1.00 2.61 N ATOM 492 NH2 ARG A 34 -7.354 -6.719 11.722 1.00 3.35 N ATOM 0 H ARG A 34 -8.558 -0.561 9.245 1.00 0.45 H new ATOM 0 HA ARG A 34 -6.351 -1.530 7.712 1.00 0.50 H new ATOM 0 HB2 ARG A 34 -7.496 -2.846 9.504 1.00 0.71 H new ATOM 0 HB3 ARG A 34 -8.921 -2.952 8.490 1.00 0.71 H new ATOM 0 HG2 ARG A 34 -7.531 -4.026 6.710 1.00 1.08 H new ATOM 0 HG3 ARG A 34 -6.155 -3.986 7.795 1.00 1.08 H new ATOM 0 HD2 ARG A 34 -8.726 -5.501 8.207 1.00 1.18 H new ATOM 0 HD3 ARG A 34 -7.178 -6.176 7.738 1.00 1.18 H new ATOM 0 HE ARG A 34 -6.655 -4.909 10.155 1.00 1.90 H new ATOM 0 HH11 ARG A 34 -9.065 -7.265 9.049 1.00 2.61 H new ATOM 0 HH12 ARG A 34 -9.088 -8.138 10.584 1.00 2.61 H new ATOM 0 HH21 ARG A 34 -6.647 -6.088 12.099 1.00 3.35 H new ATOM 0 HH22 ARG A 34 -7.725 -7.473 12.300 1.00 3.35 H new ATOM 506 N PHE A 35 -7.266 -1.969 5.384 1.00 0.40 N ATOM 507 CA PHE A 35 -7.652 -1.951 3.963 1.00 0.40 C ATOM 508 C PHE A 35 -9.062 -2.503 3.743 1.00 0.46 C ATOM 509 O PHE A 35 -9.875 -1.882 3.069 1.00 0.49 O ATOM 510 CB PHE A 35 -6.679 -2.759 3.116 1.00 0.39 C ATOM 511 CG PHE A 35 -5.242 -2.426 3.334 1.00 0.35 C ATOM 512 CD1 PHE A 35 -4.683 -1.276 2.812 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.450 -3.278 4.064 1.00 0.35 C ATOM 514 CE1 PHE A 35 -3.349 -0.992 3.023 1.00 0.49 C ATOM 515 CE2 PHE A 35 -3.129 -3.007 4.278 1.00 0.41 C ATOM 516 CZ PHE A 35 -2.572 -1.863 3.758 1.00 0.48 C ATOM 0 H PHE A 35 -6.346 -2.378 5.549 1.00 0.40 H new ATOM 0 HA PHE A 35 -7.629 -0.905 3.657 1.00 0.40 H new ATOM 0 HB2 PHE A 35 -6.829 -3.818 3.325 1.00 0.39 H new ATOM 0 HB3 PHE A 35 -6.919 -2.605 2.064 1.00 0.39 H new ATOM 0 HD1 PHE A 35 -5.293 -0.596 2.236 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.880 -4.179 4.476 1.00 0.35 H new ATOM 0 HE1 PHE A 35 -2.915 -0.091 2.614 1.00 0.49 H new ATOM 0 HE2 PHE A 35 -2.523 -3.690 4.855 1.00 0.41 H new ATOM 0 HZ PHE A 35 -1.527 -1.646 3.925 1.00 0.48 H new ATOM 526 N GLU A 36 -9.350 -3.664 4.327 1.00 0.58 N ATOM 527 CA GLU A 36 -10.668 -4.299 4.194 1.00 0.74 C ATOM 528 C GLU A 36 -11.803 -3.347 4.606 1.00 0.75 C ATOM 529 O GLU A 36 -12.867 -3.341 3.999 1.00 0.84 O ATOM 530 CB GLU A 36 -10.761 -5.595 5.024 1.00 0.92 C ATOM 531 CG GLU A 36 -10.668 -5.387 6.533 1.00 1.14 C ATOM 532 CD GLU A 36 -10.883 -6.650 7.326 1.00 1.56 C ATOM 533 OE1 GLU A 36 -9.911 -7.349 7.614 1.00 2.26 O ATOM 534 OE2 GLU A 36 -12.034 -6.954 7.698 1.00 1.93 O ATOM 0 H GLU A 36 -8.689 -4.189 4.900 1.00 0.58 H new ATOM 0 HA GLU A 36 -10.784 -4.547 3.139 1.00 0.74 H new ATOM 0 HB2 GLU A 36 -11.704 -6.091 4.796 1.00 0.92 H new ATOM 0 HB3 GLU A 36 -9.963 -6.269 4.713 1.00 0.92 H new ATOM 0 HG2 GLU A 36 -9.688 -4.977 6.776 1.00 1.14 H new ATOM 0 HG3 GLU A 36 -11.408 -4.646 6.836 1.00 1.14 H new ATOM 541 N ASP A 37 -11.517 -2.496 5.575 1.00 0.70 N ATOM 542 CA ASP A 37 -12.506 -1.627 6.173 1.00 0.77 C ATOM 543 C ASP A 37 -12.625 -0.319 5.401 1.00 0.71 C ATOM 544 O ASP A 37 -13.587 0.419 5.546 1.00 0.80 O ATOM 545 CB ASP A 37 -12.144 -1.375 7.640 1.00 0.85 C ATOM 546 CG ASP A 37 -13.222 -0.657 8.403 1.00 1.48 C ATOM 547 OD1 ASP A 37 -14.268 -1.251 8.681 1.00 1.64 O ATOM 548 OD2 ASP A 37 -13.058 0.546 8.681 1.00 2.27 O ATOM 0 H ASP A 37 -10.583 -2.390 5.970 1.00 0.70 H new ATOM 0 HA ASP A 37 -13.480 -2.115 6.130 1.00 0.77 H new ATOM 0 HB2 ASP A 37 -11.939 -2.329 8.125 1.00 0.85 H new ATOM 0 HB3 ASP A 37 -11.225 -0.790 7.685 1.00 0.85 H new ATOM 553 N ILE A 38 -11.657 -0.043 4.546 1.00 0.62 N ATOM 554 CA ILE A 38 -11.711 1.159 3.732 1.00 0.65 C ATOM 555 C ILE A 38 -12.236 0.850 2.341 1.00 0.69 C ATOM 556 O ILE A 38 -12.069 1.637 1.409 1.00 0.75 O ATOM 557 CB ILE A 38 -10.358 1.946 3.660 1.00 0.61 C ATOM 558 CG1 ILE A 38 -9.203 1.065 3.129 1.00 0.53 C ATOM 559 CG2 ILE A 38 -10.019 2.527 5.022 1.00 0.67 C ATOM 560 CD1 ILE A 38 -7.856 1.768 3.028 1.00 0.56 C ATOM 0 H ILE A 38 -10.833 -0.626 4.398 1.00 0.62 H new ATOM 0 HA ILE A 38 -12.410 1.825 4.238 1.00 0.65 H new ATOM 0 HB ILE A 38 -10.484 2.763 2.950 1.00 0.61 H new ATOM 0 HG12 ILE A 38 -9.096 0.199 3.782 1.00 0.53 H new ATOM 0 HG13 ILE A 38 -9.476 0.689 2.143 1.00 0.53 H new ATOM 0 HG21 ILE A 38 -9.077 3.072 4.961 1.00 0.67 H new ATOM 0 HG22 ILE A 38 -10.812 3.207 5.335 1.00 0.67 H new ATOM 0 HG23 ILE A 38 -9.925 1.720 5.749 1.00 0.67 H new ATOM 0 HD11 ILE A 38 -7.110 1.071 2.647 1.00 0.56 H new ATOM 0 HD12 ILE A 38 -7.939 2.618 2.350 1.00 0.56 H new ATOM 0 HD13 ILE A 38 -7.554 2.119 4.015 1.00 0.56 H new ATOM 572 N GLY A 39 -12.962 -0.262 2.245 1.00 0.72 N ATOM 573 CA GLY A 39 -13.573 -0.674 1.000 1.00 0.81 C ATOM 574 C GLY A 39 -12.599 -1.339 0.054 1.00 0.67 C ATOM 575 O GLY A 39 -12.895 -1.513 -1.119 1.00 0.72 O ATOM 0 H GLY A 39 -13.138 -0.893 3.027 1.00 0.72 H new ATOM 0 HA2 GLY A 39 -14.391 -1.362 1.214 1.00 0.81 H new ATOM 0 HA3 GLY A 39 -14.009 0.197 0.510 1.00 0.81 H new ATOM 579 N TYR A 40 -11.457 -1.740 0.560 1.00 0.57 N ATOM 580 CA TYR A 40 -10.432 -2.325 -0.270 1.00 0.54 C ATOM 581 C TYR A 40 -10.461 -3.809 -0.266 1.00 0.64 C ATOM 582 O TYR A 40 -10.267 -4.450 0.774 1.00 0.79 O ATOM 583 CB TYR A 40 -9.053 -1.789 0.109 1.00 0.55 C ATOM 584 CG TYR A 40 -8.764 -0.489 -0.539 1.00 0.55 C ATOM 585 CD1 TYR A 40 -9.710 0.517 -0.570 1.00 0.71 C ATOM 586 CD2 TYR A 40 -7.569 -0.282 -1.164 1.00 0.68 C ATOM 587 CE1 TYR A 40 -9.469 1.693 -1.190 1.00 0.87 C ATOM 588 CE2 TYR A 40 -7.310 0.891 -1.795 1.00 0.82 C ATOM 589 CZ TYR A 40 -8.272 1.888 -1.806 1.00 0.89 C ATOM 590 OH TYR A 40 -8.037 3.071 -2.445 1.00 1.12 O ATOM 0 H TYR A 40 -11.214 -1.671 1.548 1.00 0.57 H new ATOM 0 HA TYR A 40 -10.647 -2.023 -1.295 1.00 0.54 H new ATOM 0 HB2 TYR A 40 -8.994 -1.675 1.191 1.00 0.55 H new ATOM 0 HB3 TYR A 40 -8.291 -2.514 -0.178 1.00 0.55 H new ATOM 0 HD1 TYR A 40 -10.664 0.360 -0.088 1.00 0.71 H new ATOM 0 HD2 TYR A 40 -6.821 -1.061 -1.156 1.00 0.68 H new ATOM 0 HE1 TYR A 40 -10.219 2.470 -1.196 1.00 0.87 H new ATOM 0 HE2 TYR A 40 -6.360 1.046 -2.285 1.00 0.82 H new ATOM 0 HH TYR A 40 -7.496 3.652 -1.870 1.00 1.12 H new ATOM 600 N ASP A 41 -10.763 -4.354 -1.409 1.00 0.68 N ATOM 601 CA ASP A 41 -10.724 -5.773 -1.606 1.00 0.90 C ATOM 602 C ASP A 41 -9.341 -6.156 -2.062 1.00 1.04 C ATOM 603 O ASP A 41 -8.481 -5.289 -2.293 1.00 1.93 O ATOM 604 CB ASP A 41 -11.741 -6.253 -2.656 1.00 1.00 C ATOM 605 CG ASP A 41 -13.183 -6.009 -2.301 1.00 1.48 C ATOM 606 OD1 ASP A 41 -13.714 -4.931 -2.628 1.00 2.20 O ATOM 607 OD2 ASP A 41 -13.798 -6.864 -1.645 1.00 2.00 O ATOM 0 H ASP A 41 -11.044 -3.824 -2.234 1.00 0.68 H new ATOM 0 HA ASP A 41 -10.981 -6.247 -0.659 1.00 0.90 H new ATOM 0 HB2 ASP A 41 -11.526 -5.756 -3.602 1.00 1.00 H new ATOM 0 HB3 ASP A 41 -11.598 -7.321 -2.817 1.00 1.00 H new ATOM 612 N SER A 42 -9.158 -7.426 -2.226 1.00 0.72 N ATOM 613 CA SER A 42 -7.920 -8.053 -2.611 1.00 0.68 C ATOM 614 C SER A 42 -7.272 -7.431 -3.884 1.00 0.54 C ATOM 615 O SER A 42 -6.090 -7.097 -3.882 1.00 0.51 O ATOM 616 CB SER A 42 -8.236 -9.508 -2.814 1.00 0.82 C ATOM 617 OG SER A 42 -9.383 -9.599 -3.732 1.00 0.86 O ATOM 0 H SER A 42 -9.910 -8.101 -2.088 1.00 0.72 H new ATOM 0 HA SER A 42 -7.175 -7.901 -1.830 1.00 0.68 H new ATOM 0 HB2 SER A 42 -7.374 -10.031 -3.228 1.00 0.82 H new ATOM 0 HB3 SER A 42 -8.471 -9.984 -1.862 1.00 0.82 H new ATOM 0 HG SER A 42 -9.608 -10.541 -3.882 1.00 0.86 H new ATOM 622 N LEU A 43 -8.063 -7.264 -4.954 1.00 0.52 N ATOM 623 CA LEU A 43 -7.536 -6.750 -6.232 1.00 0.48 C ATOM 624 C LEU A 43 -7.035 -5.321 -6.065 1.00 0.39 C ATOM 625 O LEU A 43 -5.899 -5.003 -6.444 1.00 0.37 O ATOM 626 CB LEU A 43 -8.607 -6.847 -7.361 1.00 0.64 C ATOM 627 CG LEU A 43 -8.141 -6.641 -8.848 1.00 0.83 C ATOM 628 CD1 LEU A 43 -9.262 -7.021 -9.796 1.00 1.64 C ATOM 629 CD2 LEU A 43 -7.706 -5.196 -9.152 1.00 1.57 C ATOM 0 H LEU A 43 -9.061 -7.474 -4.963 1.00 0.52 H new ATOM 0 HA LEU A 43 -6.692 -7.372 -6.529 1.00 0.48 H new ATOM 0 HB2 LEU A 43 -9.075 -7.829 -7.292 1.00 0.64 H new ATOM 0 HB3 LEU A 43 -9.381 -6.109 -7.150 1.00 0.64 H new ATOM 0 HG LEU A 43 -7.272 -7.284 -8.990 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -8.933 -6.876 -10.825 1.00 1.64 H new ATOM 0 HD12 LEU A 43 -9.528 -8.067 -9.644 1.00 1.64 H new ATOM 0 HD13 LEU A 43 -10.132 -6.393 -9.601 1.00 1.64 H new ATOM 0 HD21 LEU A 43 -7.396 -5.121 -10.194 1.00 1.57 H new ATOM 0 HD22 LEU A 43 -8.541 -4.519 -8.972 1.00 1.57 H new ATOM 0 HD23 LEU A 43 -6.872 -4.923 -8.505 1.00 1.57 H new ATOM 641 N ALA A 44 -7.862 -4.475 -5.474 1.00 0.41 N ATOM 642 CA ALA A 44 -7.511 -3.076 -5.272 1.00 0.39 C ATOM 643 C ALA A 44 -6.271 -2.958 -4.402 1.00 0.34 C ATOM 644 O ALA A 44 -5.394 -2.117 -4.645 1.00 0.35 O ATOM 645 CB ALA A 44 -8.671 -2.321 -4.643 1.00 0.49 C ATOM 0 H ALA A 44 -8.785 -4.732 -5.124 1.00 0.41 H new ATOM 0 HA ALA A 44 -7.296 -2.633 -6.244 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -8.391 -1.277 -4.499 1.00 0.49 H new ATOM 0 HB2 ALA A 44 -9.540 -2.376 -5.299 1.00 0.49 H new ATOM 0 HB3 ALA A 44 -8.915 -2.767 -3.679 1.00 0.49 H new ATOM 651 N LEU A 45 -6.193 -3.813 -3.406 1.00 0.37 N ATOM 652 CA LEU A 45 -5.077 -3.824 -2.503 1.00 0.42 C ATOM 653 C LEU A 45 -3.783 -4.259 -3.229 1.00 0.39 C ATOM 654 O LEU A 45 -2.762 -3.568 -3.160 1.00 0.43 O ATOM 655 CB LEU A 45 -5.356 -4.752 -1.331 1.00 0.54 C ATOM 656 CG LEU A 45 -4.914 -4.249 0.043 1.00 0.57 C ATOM 657 CD1 LEU A 45 -4.990 -5.337 1.052 1.00 0.75 C ATOM 658 CD2 LEU A 45 -3.541 -3.641 0.020 1.00 0.94 C ATOM 0 H LEU A 45 -6.903 -4.517 -3.204 1.00 0.37 H new ATOM 0 HA LEU A 45 -4.935 -2.811 -2.127 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -6.428 -4.949 -1.296 1.00 0.54 H new ATOM 0 HB3 LEU A 45 -4.863 -5.705 -1.523 1.00 0.54 H new ATOM 0 HG LEU A 45 -5.607 -3.457 0.327 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -4.671 -4.956 2.022 1.00 0.75 H new ATOM 0 HD12 LEU A 45 -6.017 -5.696 1.123 1.00 0.75 H new ATOM 0 HD13 LEU A 45 -4.338 -6.158 0.752 1.00 0.75 H new ATOM 0 HD21 LEU A 45 -3.277 -3.300 1.021 1.00 0.94 H new ATOM 0 HD22 LEU A 45 -2.818 -4.387 -0.312 1.00 0.94 H new ATOM 0 HD23 LEU A 45 -3.530 -2.794 -0.666 1.00 0.94 H new ATOM 670 N MET A 46 -3.841 -5.383 -3.937 1.00 0.36 N ATOM 671 CA MET A 46 -2.656 -5.924 -4.619 1.00 0.41 C ATOM 672 C MET A 46 -2.137 -4.954 -5.671 1.00 0.39 C ATOM 673 O MET A 46 -0.925 -4.829 -5.861 1.00 0.49 O ATOM 674 CB MET A 46 -2.936 -7.314 -5.244 1.00 0.43 C ATOM 675 CG MET A 46 -3.762 -7.304 -6.521 1.00 0.34 C ATOM 676 SD MET A 46 -2.783 -7.084 -8.032 1.00 0.73 S ATOM 677 CE MET A 46 -4.085 -7.025 -9.269 1.00 1.38 C ATOM 0 H MET A 46 -4.688 -5.939 -4.057 1.00 0.36 H new ATOM 0 HA MET A 46 -1.882 -6.054 -3.863 1.00 0.41 H new ATOM 0 HB2 MET A 46 -1.982 -7.798 -5.453 1.00 0.43 H new ATOM 0 HB3 MET A 46 -3.450 -7.929 -4.505 1.00 0.43 H new ATOM 0 HG2 MET A 46 -4.314 -8.241 -6.592 1.00 0.34 H new ATOM 0 HG3 MET A 46 -4.499 -6.504 -6.458 1.00 0.34 H new ATOM 0 HE1 MET A 46 -3.643 -6.893 -10.257 1.00 1.38 H new ATOM 0 HE2 MET A 46 -4.651 -7.956 -9.247 1.00 1.38 H new ATOM 0 HE3 MET A 46 -4.752 -6.190 -9.055 1.00 1.38 H new ATOM 687 N GLU A 47 -3.054 -4.235 -6.327 1.00 0.31 N ATOM 688 CA GLU A 47 -2.656 -3.301 -7.350 1.00 0.37 C ATOM 689 C GLU A 47 -1.957 -2.112 -6.701 1.00 0.34 C ATOM 690 O GLU A 47 -1.059 -1.527 -7.274 1.00 0.38 O ATOM 691 CB GLU A 47 -3.846 -2.851 -8.215 1.00 0.44 C ATOM 692 CG GLU A 47 -3.411 -2.082 -9.453 1.00 0.62 C ATOM 693 CD GLU A 47 -4.540 -1.574 -10.303 1.00 0.99 C ATOM 694 OE1 GLU A 47 -5.306 -2.393 -10.860 1.00 1.45 O ATOM 695 OE2 GLU A 47 -4.680 -0.337 -10.450 1.00 1.76 O ATOM 0 H GLU A 47 -4.059 -4.290 -6.161 1.00 0.31 H new ATOM 0 HA GLU A 47 -1.961 -3.800 -8.025 1.00 0.37 H new ATOM 0 HB2 GLU A 47 -4.421 -3.726 -8.519 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -4.509 -2.225 -7.617 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -2.799 -1.236 -9.142 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -2.778 -2.727 -10.062 1.00 0.62 H new ATOM 702 N THR A 48 -2.347 -1.811 -5.469 1.00 0.32 N ATOM 703 CA THR A 48 -1.731 -0.753 -4.692 1.00 0.33 C ATOM 704 C THR A 48 -0.257 -1.087 -4.474 1.00 0.32 C ATOM 705 O THR A 48 0.632 -0.244 -4.694 1.00 0.35 O ATOM 706 CB THR A 48 -2.431 -0.619 -3.330 1.00 0.38 C ATOM 707 OG1 THR A 48 -3.802 -0.208 -3.511 1.00 0.49 O ATOM 708 CG2 THR A 48 -1.695 0.364 -2.443 1.00 0.41 C ATOM 0 H THR A 48 -3.101 -2.297 -4.983 1.00 0.32 H new ATOM 0 HA THR A 48 -1.824 0.190 -5.231 1.00 0.33 H new ATOM 0 HB THR A 48 -2.421 -1.593 -2.840 1.00 0.38 H new ATOM 0 HG1 THR A 48 -4.292 -0.906 -3.993 1.00 0.49 H new ATOM 0 HG21 THR A 48 -2.208 0.443 -1.484 1.00 0.41 H new ATOM 0 HG22 THR A 48 -0.675 0.015 -2.281 1.00 0.41 H new ATOM 0 HG23 THR A 48 -1.672 1.342 -2.924 1.00 0.41 H new ATOM 716 N ALA A 49 -0.010 -2.312 -4.030 1.00 0.32 N ATOM 717 CA ALA A 49 1.335 -2.794 -3.829 1.00 0.33 C ATOM 718 C ALA A 49 2.092 -2.714 -5.134 1.00 0.30 C ATOM 719 O ALA A 49 3.126 -2.067 -5.207 1.00 0.29 O ATOM 720 CB ALA A 49 1.322 -4.223 -3.329 1.00 0.40 C ATOM 0 H ALA A 49 -0.737 -2.990 -3.802 1.00 0.32 H new ATOM 0 HA ALA A 49 1.825 -2.173 -3.079 1.00 0.33 H new ATOM 0 HB1 ALA A 49 2.346 -4.567 -3.184 1.00 0.40 H new ATOM 0 HB2 ALA A 49 0.785 -4.272 -2.382 1.00 0.40 H new ATOM 0 HB3 ALA A 49 0.825 -4.860 -4.061 1.00 0.40 H new ATOM 726 N ALA A 50 1.502 -3.302 -6.174 1.00 0.31 N ATOM 727 CA ALA A 50 2.087 -3.359 -7.510 1.00 0.35 C ATOM 728 C ALA A 50 2.404 -1.968 -8.059 1.00 0.33 C ATOM 729 O ALA A 50 3.368 -1.792 -8.788 1.00 0.37 O ATOM 730 CB ALA A 50 1.154 -4.098 -8.453 1.00 0.44 C ATOM 0 H ALA A 50 0.592 -3.758 -6.110 1.00 0.31 H new ATOM 0 HA ALA A 50 3.031 -3.899 -7.434 1.00 0.35 H new ATOM 0 HB1 ALA A 50 1.598 -4.136 -9.448 1.00 0.44 H new ATOM 0 HB2 ALA A 50 0.996 -5.112 -8.087 1.00 0.44 H new ATOM 0 HB3 ALA A 50 0.198 -3.576 -8.502 1.00 0.44 H new ATOM 736 N ARG A 51 1.597 -0.996 -7.690 1.00 0.31 N ATOM 737 CA ARG A 51 1.766 0.394 -8.099 1.00 0.36 C ATOM 738 C ARG A 51 3.091 0.913 -7.552 1.00 0.30 C ATOM 739 O ARG A 51 3.941 1.383 -8.298 1.00 0.34 O ATOM 740 CB ARG A 51 0.604 1.231 -7.526 1.00 0.46 C ATOM 741 CG ARG A 51 0.542 2.685 -7.967 1.00 0.91 C ATOM 742 CD ARG A 51 0.088 2.817 -9.409 1.00 1.03 C ATOM 743 NE ARG A 51 -1.259 2.242 -9.621 1.00 1.65 N ATOM 744 CZ ARG A 51 -2.225 2.795 -10.370 1.00 2.23 C ATOM 745 NH1 ARG A 51 -2.065 4.021 -10.867 1.00 2.58 N ATOM 746 NH2 ARG A 51 -3.369 2.133 -10.594 1.00 3.05 N ATOM 0 H ARG A 51 0.789 -1.146 -7.086 1.00 0.31 H new ATOM 0 HA ARG A 51 1.766 0.469 -9.186 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -0.334 0.749 -7.802 1.00 0.46 H new ATOM 0 HB3 ARG A 51 0.667 1.205 -6.438 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -0.142 3.233 -7.319 1.00 0.91 H new ATOM 0 HG3 ARG A 51 1.525 3.142 -7.852 1.00 0.91 H new ATOM 0 HD2 ARG A 51 0.082 3.870 -9.692 1.00 1.03 H new ATOM 0 HD3 ARG A 51 0.803 2.316 -10.062 1.00 1.03 H new ATOM 0 HE ARG A 51 -1.469 1.356 -9.162 1.00 1.65 H new ATOM 0 HH11 ARG A 51 -1.207 4.540 -10.678 1.00 2.58 H new ATOM 0 HH12 ARG A 51 -2.800 4.440 -11.436 1.00 2.58 H new ATOM 0 HH21 ARG A 51 -3.508 1.205 -10.194 1.00 3.05 H new ATOM 0 HH22 ARG A 51 -4.101 2.557 -11.164 1.00 3.05 H new ATOM 760 N LEU A 52 3.270 0.801 -6.257 1.00 0.25 N ATOM 761 CA LEU A 52 4.498 1.239 -5.632 1.00 0.24 C ATOM 762 C LEU A 52 5.676 0.356 -6.017 1.00 0.22 C ATOM 763 O LEU A 52 6.803 0.856 -6.184 1.00 0.26 O ATOM 764 CB LEU A 52 4.340 1.368 -4.127 1.00 0.28 C ATOM 765 CG LEU A 52 3.378 2.468 -3.679 1.00 0.35 C ATOM 766 CD1 LEU A 52 3.226 2.464 -2.179 1.00 0.43 C ATOM 767 CD2 LEU A 52 3.862 3.835 -4.159 1.00 0.41 C ATOM 0 H LEU A 52 2.581 0.410 -5.614 1.00 0.25 H new ATOM 0 HA LEU A 52 4.722 2.235 -6.013 1.00 0.24 H new ATOM 0 HB2 LEU A 52 3.992 0.415 -3.729 1.00 0.28 H new ATOM 0 HB3 LEU A 52 5.319 1.559 -3.687 1.00 0.28 H new ATOM 0 HG LEU A 52 2.404 2.269 -4.126 1.00 0.35 H new ATOM 0 HD11 LEU A 52 2.537 3.254 -1.881 1.00 0.43 H new ATOM 0 HD12 LEU A 52 2.834 1.500 -1.856 1.00 0.43 H new ATOM 0 HD13 LEU A 52 4.197 2.635 -1.714 1.00 0.43 H new ATOM 0 HD21 LEU A 52 3.164 4.604 -3.830 1.00 0.41 H new ATOM 0 HD22 LEU A 52 4.849 4.038 -3.743 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.920 3.839 -5.247 1.00 0.41 H new ATOM 779 N GLU A 53 5.419 -0.949 -6.172 1.00 0.20 N ATOM 780 CA GLU A 53 6.442 -1.884 -6.613 1.00 0.25 C ATOM 781 C GLU A 53 6.988 -1.468 -7.951 1.00 0.29 C ATOM 782 O GLU A 53 8.181 -1.281 -8.094 1.00 0.32 O ATOM 783 CB GLU A 53 5.942 -3.322 -6.711 1.00 0.28 C ATOM 784 CG GLU A 53 5.535 -3.956 -5.404 1.00 0.30 C ATOM 785 CD GLU A 53 5.223 -5.417 -5.583 1.00 0.36 C ATOM 786 OE1 GLU A 53 4.070 -5.767 -5.888 1.00 0.55 O ATOM 787 OE2 GLU A 53 6.143 -6.243 -5.452 1.00 0.50 O ATOM 0 H GLU A 53 4.508 -1.374 -5.996 1.00 0.20 H new ATOM 0 HA GLU A 53 7.223 -1.857 -5.853 1.00 0.25 H new ATOM 0 HB2 GLU A 53 5.089 -3.347 -7.389 1.00 0.28 H new ATOM 0 HB3 GLU A 53 6.725 -3.931 -7.162 1.00 0.28 H new ATOM 0 HG2 GLU A 53 6.337 -3.839 -4.675 1.00 0.30 H new ATOM 0 HG3 GLU A 53 4.662 -3.441 -5.003 1.00 0.30 H new ATOM 794 N SER A 54 6.101 -1.287 -8.907 1.00 0.35 N ATOM 795 CA SER A 54 6.485 -0.901 -10.258 1.00 0.46 C ATOM 796 C SER A 54 7.145 0.485 -10.283 1.00 0.42 C ATOM 797 O SER A 54 8.092 0.722 -11.030 1.00 0.46 O ATOM 798 CB SER A 54 5.259 -0.952 -11.195 1.00 0.61 C ATOM 799 OG SER A 54 4.201 -0.148 -10.707 1.00 1.51 O ATOM 0 H SER A 54 5.096 -1.402 -8.775 1.00 0.35 H new ATOM 0 HA SER A 54 7.226 -1.615 -10.617 1.00 0.46 H new ATOM 0 HB2 SER A 54 5.546 -0.613 -12.190 1.00 0.61 H new ATOM 0 HB3 SER A 54 4.918 -1.983 -11.295 1.00 0.61 H new ATOM 0 HG SER A 54 3.766 -0.601 -9.955 1.00 1.51 H new ATOM 805 N ARG A 55 6.648 1.378 -9.450 1.00 0.40 N ATOM 806 CA ARG A 55 7.141 2.743 -9.377 1.00 0.45 C ATOM 807 C ARG A 55 8.600 2.827 -8.871 1.00 0.43 C ATOM 808 O ARG A 55 9.412 3.567 -9.439 1.00 0.49 O ATOM 809 CB ARG A 55 6.184 3.593 -8.521 1.00 0.54 C ATOM 810 CG ARG A 55 6.566 5.052 -8.364 1.00 0.70 C ATOM 811 CD ARG A 55 5.489 5.814 -7.602 1.00 1.09 C ATOM 812 NE ARG A 55 5.915 7.171 -7.261 1.00 1.64 N ATOM 813 CZ ARG A 55 5.254 8.021 -6.460 1.00 2.34 C ATOM 814 NH1 ARG A 55 4.017 7.740 -6.030 1.00 2.65 N ATOM 815 NH2 ARG A 55 5.811 9.175 -6.119 1.00 3.15 N ATOM 0 H ARG A 55 5.887 1.178 -8.801 1.00 0.40 H new ATOM 0 HA ARG A 55 7.162 3.148 -10.389 1.00 0.45 H new ATOM 0 HB2 ARG A 55 5.188 3.542 -8.962 1.00 0.54 H new ATOM 0 HB3 ARG A 55 6.117 3.145 -7.530 1.00 0.54 H new ATOM 0 HG2 ARG A 55 7.516 5.129 -7.835 1.00 0.70 H new ATOM 0 HG3 ARG A 55 6.711 5.502 -9.346 1.00 0.70 H new ATOM 0 HD2 ARG A 55 4.582 5.860 -8.205 1.00 1.09 H new ATOM 0 HD3 ARG A 55 5.239 5.273 -6.690 1.00 1.09 H new ATOM 0 HE ARG A 55 6.791 7.500 -7.667 1.00 1.64 H new ATOM 0 HH11 ARG A 55 3.565 6.870 -6.311 1.00 2.65 H new ATOM 0 HH12 ARG A 55 3.527 8.396 -5.422 1.00 2.65 H new ATOM 0 HH21 ARG A 55 6.740 9.415 -6.465 1.00 3.15 H new ATOM 0 HH22 ARG A 55 5.311 9.823 -5.510 1.00 3.15 H new ATOM 829 N TYR A 56 8.944 2.073 -7.828 1.00 0.40 N ATOM 830 CA TYR A 56 10.310 2.153 -7.268 1.00 0.48 C ATOM 831 C TYR A 56 11.172 0.934 -7.571 1.00 0.49 C ATOM 832 O TYR A 56 12.350 0.897 -7.208 1.00 0.63 O ATOM 833 CB TYR A 56 10.294 2.423 -5.763 1.00 0.57 C ATOM 834 CG TYR A 56 9.601 3.712 -5.397 1.00 0.62 C ATOM 835 CD1 TYR A 56 10.286 4.915 -5.443 1.00 0.83 C ATOM 836 CD2 TYR A 56 8.263 3.730 -5.015 1.00 0.58 C ATOM 837 CE1 TYR A 56 9.670 6.101 -5.120 1.00 0.94 C ATOM 838 CE2 TYR A 56 7.632 4.911 -4.692 1.00 0.69 C ATOM 839 CZ TYR A 56 8.346 6.103 -4.747 1.00 0.87 C ATOM 840 OH TYR A 56 7.738 7.302 -4.420 1.00 1.01 O ATOM 0 H TYR A 56 8.322 1.415 -7.358 1.00 0.40 H new ATOM 0 HA TYR A 56 10.771 3.000 -7.776 1.00 0.48 H new ATOM 0 HB2 TYR A 56 9.797 1.595 -5.257 1.00 0.57 H new ATOM 0 HB3 TYR A 56 11.320 2.452 -5.395 1.00 0.57 H new ATOM 0 HD1 TYR A 56 11.325 4.922 -5.738 1.00 0.83 H new ATOM 0 HD2 TYR A 56 7.710 2.803 -4.971 1.00 0.58 H new ATOM 0 HE1 TYR A 56 10.224 7.028 -5.159 1.00 0.94 H new ATOM 0 HE2 TYR A 56 6.593 4.911 -4.399 1.00 0.69 H new ATOM 0 HH TYR A 56 6.802 7.139 -4.179 1.00 1.01 H new ATOM 850 N GLY A 57 10.602 -0.052 -8.211 1.00 0.42 N ATOM 851 CA GLY A 57 11.351 -1.247 -8.547 1.00 0.47 C ATOM 852 C GLY A 57 11.581 -2.135 -7.334 1.00 0.48 C ATOM 853 O GLY A 57 12.657 -2.716 -7.168 1.00 0.64 O ATOM 0 H GLY A 57 9.627 -0.058 -8.511 1.00 0.42 H new ATOM 0 HA2 GLY A 57 10.814 -1.809 -9.311 1.00 0.47 H new ATOM 0 HA3 GLY A 57 12.312 -0.964 -8.976 1.00 0.47 H new ATOM 857 N VAL A 58 10.577 -2.231 -6.486 1.00 0.37 N ATOM 858 CA VAL A 58 10.674 -3.041 -5.283 1.00 0.39 C ATOM 859 C VAL A 58 9.924 -4.355 -5.462 1.00 0.37 C ATOM 860 O VAL A 58 9.308 -4.574 -6.515 1.00 0.39 O ATOM 861 CB VAL A 58 10.200 -2.304 -3.989 1.00 0.47 C ATOM 862 CG1 VAL A 58 11.019 -1.045 -3.751 1.00 0.61 C ATOM 863 CG2 VAL A 58 8.718 -1.964 -4.046 1.00 0.50 C ATOM 0 H VAL A 58 9.681 -1.758 -6.606 1.00 0.37 H new ATOM 0 HA VAL A 58 11.735 -3.246 -5.139 1.00 0.39 H new ATOM 0 HB VAL A 58 10.356 -2.987 -3.154 1.00 0.47 H new ATOM 0 HG11 VAL A 58 10.670 -0.550 -2.845 1.00 0.61 H new ATOM 0 HG12 VAL A 58 12.070 -1.311 -3.638 1.00 0.61 H new ATOM 0 HG13 VAL A 58 10.905 -0.371 -4.600 1.00 0.61 H new ATOM 0 HG21 VAL A 58 8.426 -1.453 -3.129 1.00 0.50 H new ATOM 0 HG22 VAL A 58 8.526 -1.315 -4.900 1.00 0.50 H new ATOM 0 HG23 VAL A 58 8.138 -2.881 -4.150 1.00 0.50 H new ATOM 873 N SER A 59 9.960 -5.217 -4.464 1.00 0.42 N ATOM 874 CA SER A 59 9.289 -6.493 -4.549 1.00 0.50 C ATOM 875 C SER A 59 8.652 -6.854 -3.204 1.00 0.48 C ATOM 876 O SER A 59 9.335 -6.955 -2.177 1.00 0.61 O ATOM 877 CB SER A 59 10.285 -7.575 -4.980 1.00 0.68 C ATOM 878 OG SER A 59 10.957 -7.191 -6.180 1.00 1.55 O ATOM 0 H SER A 59 10.449 -5.053 -3.584 1.00 0.42 H new ATOM 0 HA SER A 59 8.496 -6.427 -5.294 1.00 0.50 H new ATOM 0 HB2 SER A 59 11.013 -7.743 -4.187 1.00 0.68 H new ATOM 0 HB3 SER A 59 9.761 -8.518 -5.136 1.00 0.68 H new ATOM 0 HG SER A 59 11.590 -7.893 -6.439 1.00 1.55 H new ATOM 884 N ILE A 60 7.359 -6.973 -3.208 1.00 0.42 N ATOM 885 CA ILE A 60 6.602 -7.352 -2.044 1.00 0.43 C ATOM 886 C ILE A 60 6.168 -8.805 -2.183 1.00 0.48 C ATOM 887 O ILE A 60 5.614 -9.192 -3.217 1.00 0.51 O ATOM 888 CB ILE A 60 5.340 -6.462 -1.883 1.00 0.39 C ATOM 889 CG1 ILE A 60 5.745 -4.992 -1.752 1.00 0.42 C ATOM 890 CG2 ILE A 60 4.498 -6.901 -0.676 1.00 0.44 C ATOM 891 CD1 ILE A 60 4.575 -4.049 -1.670 1.00 0.50 C ATOM 0 H ILE A 60 6.785 -6.807 -4.035 1.00 0.42 H new ATOM 0 HA ILE A 60 7.233 -7.222 -1.165 1.00 0.43 H new ATOM 0 HB ILE A 60 4.725 -6.580 -2.775 1.00 0.39 H new ATOM 0 HG12 ILE A 60 6.361 -4.872 -0.861 1.00 0.42 H new ATOM 0 HG13 ILE A 60 6.363 -4.717 -2.606 1.00 0.42 H new ATOM 0 HG21 ILE A 60 3.622 -6.258 -0.591 1.00 0.44 H new ATOM 0 HG22 ILE A 60 4.178 -7.934 -0.812 1.00 0.44 H new ATOM 0 HG23 ILE A 60 5.095 -6.823 0.232 1.00 0.44 H new ATOM 0 HD11 ILE A 60 4.938 -3.025 -1.579 1.00 0.50 H new ATOM 0 HD12 ILE A 60 3.970 -4.140 -2.572 1.00 0.50 H new ATOM 0 HD13 ILE A 60 3.968 -4.297 -0.800 1.00 0.50 H new ATOM 903 N PRO A 61 6.456 -9.641 -1.180 1.00 0.55 N ATOM 904 CA PRO A 61 5.978 -11.025 -1.154 1.00 0.61 C ATOM 905 C PRO A 61 4.445 -11.056 -1.201 1.00 0.52 C ATOM 906 O PRO A 61 3.779 -10.342 -0.423 1.00 0.43 O ATOM 907 CB PRO A 61 6.478 -11.543 0.199 1.00 0.69 C ATOM 908 CG PRO A 61 7.649 -10.681 0.517 1.00 0.75 C ATOM 909 CD PRO A 61 7.301 -9.326 -0.011 1.00 0.63 C ATOM 0 HA PRO A 61 6.329 -11.619 -1.998 1.00 0.61 H new ATOM 0 HB2 PRO A 61 5.706 -11.463 0.965 1.00 0.69 H new ATOM 0 HB3 PRO A 61 6.762 -12.594 0.142 1.00 0.69 H new ATOM 0 HG2 PRO A 61 7.833 -10.649 1.591 1.00 0.75 H new ATOM 0 HG3 PRO A 61 8.557 -11.063 0.050 1.00 0.75 H new ATOM 0 HD2 PRO A 61 6.765 -8.729 0.727 1.00 0.63 H new ATOM 0 HD3 PRO A 61 8.189 -8.761 -0.294 1.00 0.63 H new ATOM 917 N ASP A 62 3.888 -11.848 -2.117 1.00 0.58 N ATOM 918 CA ASP A 62 2.426 -11.953 -2.285 1.00 0.57 C ATOM 919 C ASP A 62 1.739 -12.396 -1.006 1.00 0.48 C ATOM 920 O ASP A 62 0.615 -11.980 -0.729 1.00 0.49 O ATOM 921 CB ASP A 62 2.008 -12.859 -3.467 1.00 0.74 C ATOM 922 CG ASP A 62 2.311 -14.334 -3.283 1.00 1.16 C ATOM 923 OD1 ASP A 62 3.418 -14.767 -3.647 1.00 1.38 O ATOM 924 OD2 ASP A 62 1.433 -15.085 -2.808 1.00 1.91 O ATOM 0 H ASP A 62 4.424 -12.431 -2.760 1.00 0.58 H new ATOM 0 HA ASP A 62 2.091 -10.944 -2.526 1.00 0.57 H new ATOM 0 HB2 ASP A 62 0.937 -12.742 -3.634 1.00 0.74 H new ATOM 0 HB3 ASP A 62 2.511 -12.510 -4.368 1.00 0.74 H new ATOM 929 N ASP A 63 2.439 -13.174 -0.187 1.00 0.51 N ATOM 930 CA ASP A 63 1.874 -13.638 1.080 1.00 0.55 C ATOM 931 C ASP A 63 1.804 -12.492 2.040 1.00 0.45 C ATOM 932 O ASP A 63 0.861 -12.379 2.819 1.00 0.48 O ATOM 933 CB ASP A 63 2.708 -14.737 1.747 1.00 0.80 C ATOM 934 CG ASP A 63 2.866 -15.996 0.950 1.00 1.25 C ATOM 935 OD1 ASP A 63 1.871 -16.649 0.624 1.00 1.88 O ATOM 936 OD2 ASP A 63 4.009 -16.364 0.642 1.00 1.94 O ATOM 0 H ASP A 63 3.389 -13.495 -0.373 1.00 0.51 H new ATOM 0 HA ASP A 63 0.890 -14.045 0.846 1.00 0.55 H new ATOM 0 HB2 ASP A 63 3.699 -14.337 1.963 1.00 0.80 H new ATOM 0 HB3 ASP A 63 2.250 -14.988 2.704 1.00 0.80 H new ATOM 941 N VAL A 64 2.767 -11.595 1.934 1.00 0.43 N ATOM 942 CA VAL A 64 2.865 -10.470 2.831 1.00 0.43 C ATOM 943 C VAL A 64 1.848 -9.412 2.457 1.00 0.34 C ATOM 944 O VAL A 64 1.311 -8.751 3.319 1.00 0.37 O ATOM 945 CB VAL A 64 4.297 -9.867 2.875 1.00 0.57 C ATOM 946 CG1 VAL A 64 4.366 -8.669 3.811 1.00 0.66 C ATOM 947 CG2 VAL A 64 5.284 -10.918 3.324 1.00 0.70 C ATOM 0 H VAL A 64 3.499 -11.630 1.224 1.00 0.43 H new ATOM 0 HA VAL A 64 2.648 -10.836 3.835 1.00 0.43 H new ATOM 0 HB VAL A 64 4.550 -9.530 1.870 1.00 0.57 H new ATOM 0 HG11 VAL A 64 5.381 -8.271 3.819 1.00 0.66 H new ATOM 0 HG12 VAL A 64 3.677 -7.898 3.467 1.00 0.66 H new ATOM 0 HG13 VAL A 64 4.090 -8.978 4.819 1.00 0.66 H new ATOM 0 HG21 VAL A 64 6.285 -10.488 3.352 1.00 0.70 H new ATOM 0 HG22 VAL A 64 5.012 -11.271 4.319 1.00 0.70 H new ATOM 0 HG23 VAL A 64 5.268 -11.754 2.625 1.00 0.70 H new ATOM 957 N ALA A 65 1.535 -9.303 1.175 1.00 0.32 N ATOM 958 CA ALA A 65 0.501 -8.361 0.725 1.00 0.34 C ATOM 959 C ALA A 65 -0.869 -8.730 1.332 1.00 0.37 C ATOM 960 O ALA A 65 -1.729 -7.890 1.491 1.00 0.46 O ATOM 961 CB ALA A 65 0.440 -8.283 -0.799 1.00 0.42 C ATOM 0 H ALA A 65 1.972 -9.845 0.429 1.00 0.32 H new ATOM 0 HA ALA A 65 0.770 -7.367 1.083 1.00 0.34 H new ATOM 0 HB1 ALA A 65 -0.335 -7.577 -1.096 1.00 0.42 H new ATOM 0 HB2 ALA A 65 1.403 -7.948 -1.185 1.00 0.42 H new ATOM 0 HB3 ALA A 65 0.209 -9.268 -1.205 1.00 0.42 H new ATOM 967 N GLY A 66 -1.031 -9.997 1.695 1.00 0.39 N ATOM 968 CA GLY A 66 -2.248 -10.429 2.357 1.00 0.50 C ATOM 969 C GLY A 66 -2.084 -10.450 3.875 1.00 0.52 C ATOM 970 O GLY A 66 -3.048 -10.661 4.618 1.00 0.73 O ATOM 0 H GLY A 66 -0.341 -10.733 1.543 1.00 0.39 H new ATOM 0 HA2 GLY A 66 -3.066 -9.761 2.088 1.00 0.50 H new ATOM 0 HA3 GLY A 66 -2.520 -11.424 2.006 1.00 0.50 H new ATOM 974 N ARG A 67 -0.858 -10.234 4.329 1.00 0.42 N ATOM 975 CA ARG A 67 -0.529 -10.238 5.755 1.00 0.50 C ATOM 976 C ARG A 67 -0.422 -8.826 6.314 1.00 0.49 C ATOM 977 O ARG A 67 -0.375 -8.629 7.525 1.00 0.60 O ATOM 978 CB ARG A 67 0.742 -11.067 6.035 1.00 0.56 C ATOM 979 CG ARG A 67 0.503 -12.560 5.907 1.00 1.09 C ATOM 980 CD ARG A 67 1.769 -13.381 6.088 1.00 1.24 C ATOM 981 NE ARG A 67 1.499 -14.821 5.902 1.00 2.11 N ATOM 982 CZ ARG A 67 2.308 -15.694 5.266 1.00 2.57 C ATOM 983 NH1 ARG A 67 3.535 -15.340 4.902 1.00 2.21 N ATOM 984 NH2 ARG A 67 1.907 -16.938 5.056 1.00 3.62 N ATOM 0 H ARG A 67 -0.059 -10.050 3.722 1.00 0.42 H new ATOM 0 HA ARG A 67 -1.353 -10.722 6.279 1.00 0.50 H new ATOM 0 HB2 ARG A 67 1.527 -10.767 5.341 1.00 0.56 H new ATOM 0 HB3 ARG A 67 1.103 -10.845 7.039 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.233 -12.869 6.649 1.00 1.09 H new ATOM 0 HG3 ARG A 67 0.076 -12.771 4.927 1.00 1.09 H new ATOM 0 HD2 ARG A 67 2.524 -13.054 5.373 1.00 1.24 H new ATOM 0 HD3 ARG A 67 2.178 -13.210 7.084 1.00 1.24 H new ATOM 0 HE ARG A 67 0.628 -15.186 6.287 1.00 2.11 H new ATOM 0 HH11 ARG A 67 3.875 -14.400 5.103 1.00 2.21 H new ATOM 0 HH12 ARG A 67 4.137 -16.009 4.422 1.00 2.21 H new ATOM 0 HH21 ARG A 67 0.986 -17.238 5.375 1.00 3.62 H new ATOM 0 HH22 ARG A 67 2.519 -17.597 4.575 1.00 3.62 H new ATOM 998 N VAL A 68 -0.370 -7.857 5.433 1.00 0.44 N ATOM 999 CA VAL A 68 -0.367 -6.467 5.826 1.00 0.44 C ATOM 1000 C VAL A 68 -1.795 -6.020 6.088 1.00 0.52 C ATOM 1001 O VAL A 68 -2.654 -6.041 5.198 1.00 0.94 O ATOM 1002 CB VAL A 68 0.321 -5.552 4.763 1.00 0.46 C ATOM 1003 CG1 VAL A 68 1.812 -5.823 4.720 1.00 0.50 C ATOM 1004 CG2 VAL A 68 -0.276 -5.744 3.376 1.00 0.57 C ATOM 0 H VAL A 68 -0.329 -8.008 4.425 1.00 0.44 H new ATOM 0 HA VAL A 68 0.220 -6.371 6.739 1.00 0.44 H new ATOM 0 HB VAL A 68 0.146 -4.519 5.064 1.00 0.46 H new ATOM 0 HG11 VAL A 68 2.278 -5.178 3.975 1.00 0.50 H new ATOM 0 HG12 VAL A 68 2.247 -5.620 5.699 1.00 0.50 H new ATOM 0 HG13 VAL A 68 1.985 -6.866 4.456 1.00 0.50 H new ATOM 0 HG21 VAL A 68 0.231 -5.089 2.668 1.00 0.57 H new ATOM 0 HG22 VAL A 68 -0.149 -6.781 3.066 1.00 0.57 H new ATOM 0 HG23 VAL A 68 -1.338 -5.499 3.400 1.00 0.57 H new ATOM 1014 N ASP A 69 -2.083 -5.728 7.312 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.422 -5.321 7.660 1.00 0.57 C ATOM 1016 C ASP A 69 -3.540 -3.819 7.712 1.00 0.40 C ATOM 1017 O ASP A 69 -4.482 -3.242 7.188 1.00 0.48 O ATOM 1018 CB ASP A 69 -3.915 -5.954 8.964 1.00 0.94 C ATOM 1019 CG ASP A 69 -4.013 -7.465 8.904 1.00 1.52 C ATOM 1020 OD1 ASP A 69 -4.735 -7.986 8.030 1.00 2.46 O ATOM 1021 OD2 ASP A 69 -3.372 -8.167 9.726 1.00 1.76 O ATOM 0 H ASP A 69 -1.423 -5.760 8.089 1.00 0.40 H new ATOM 0 HA ASP A 69 -4.072 -5.691 6.867 1.00 0.57 H new ATOM 0 HB2 ASP A 69 -3.240 -5.674 9.773 1.00 0.94 H new ATOM 0 HB3 ASP A 69 -4.895 -5.544 9.210 1.00 0.94 H new ATOM 1026 N THR A 70 -2.590 -3.171 8.306 1.00 0.35 N ATOM 1027 CA THR A 70 -2.656 -1.737 8.395 1.00 0.30 C ATOM 1028 C THR A 70 -1.787 -1.075 7.325 1.00 0.26 C ATOM 1029 O THR A 70 -0.733 -1.606 6.957 1.00 0.26 O ATOM 1030 CB THR A 70 -2.301 -1.220 9.808 1.00 0.44 C ATOM 1031 OG1 THR A 70 -1.087 -1.830 10.285 1.00 0.54 O ATOM 1032 CG2 THR A 70 -3.432 -1.484 10.788 1.00 0.52 C ATOM 0 H THR A 70 -1.768 -3.598 8.733 1.00 0.35 H new ATOM 0 HA THR A 70 -3.692 -1.455 8.208 1.00 0.30 H new ATOM 0 HB THR A 70 -2.150 -0.143 9.736 1.00 0.44 H new ATOM 0 HG1 THR A 70 -0.879 -1.488 11.180 1.00 0.54 H new ATOM 0 HG21 THR A 70 -3.154 -1.110 11.773 1.00 0.52 H new ATOM 0 HG22 THR A 70 -4.334 -0.976 10.448 1.00 0.52 H new ATOM 0 HG23 THR A 70 -3.620 -2.556 10.847 1.00 0.52 H new ATOM 1040 N PRO A 71 -2.238 0.070 6.776 1.00 0.27 N ATOM 1041 CA PRO A 71 -1.498 0.816 5.752 1.00 0.28 C ATOM 1042 C PRO A 71 -0.086 1.151 6.197 1.00 0.27 C ATOM 1043 O PRO A 71 0.852 0.934 5.457 1.00 0.30 O ATOM 1044 CB PRO A 71 -2.328 2.078 5.571 1.00 0.33 C ATOM 1045 CG PRO A 71 -3.699 1.648 5.920 1.00 0.35 C ATOM 1046 CD PRO A 71 -3.529 0.709 7.071 1.00 0.33 C ATOM 0 HA PRO A 71 -1.372 0.245 4.832 1.00 0.28 H new ATOM 0 HB2 PRO A 71 -1.982 2.881 6.222 1.00 0.33 H new ATOM 0 HB3 PRO A 71 -2.273 2.450 4.548 1.00 0.33 H new ATOM 0 HG2 PRO A 71 -4.322 2.499 6.194 1.00 0.35 H new ATOM 0 HG3 PRO A 71 -4.185 1.156 5.077 1.00 0.35 H new ATOM 0 HD2 PRO A 71 -3.512 1.236 8.025 1.00 0.33 H new ATOM 0 HD3 PRO A 71 -4.339 -0.019 7.123 1.00 0.33 H new ATOM 1054 N ARG A 72 0.049 1.676 7.413 1.00 0.29 N ATOM 1055 CA ARG A 72 1.362 1.969 8.017 1.00 0.34 C ATOM 1056 C ARG A 72 2.299 0.737 7.974 1.00 0.32 C ATOM 1057 O ARG A 72 3.491 0.855 7.679 1.00 0.35 O ATOM 1058 CB ARG A 72 1.166 2.524 9.442 1.00 0.42 C ATOM 1059 CG ARG A 72 2.402 2.615 10.311 1.00 0.72 C ATOM 1060 CD ARG A 72 2.018 3.153 11.676 1.00 0.75 C ATOM 1061 NE ARG A 72 1.462 4.502 11.561 1.00 0.84 N ATOM 1062 CZ ARG A 72 0.581 5.084 12.399 1.00 1.44 C ATOM 1063 NH1 ARG A 72 -0.040 4.371 13.339 1.00 2.34 N ATOM 1064 NH2 ARG A 72 0.329 6.379 12.284 1.00 1.57 N ATOM 0 H ARG A 72 -0.742 1.912 8.012 1.00 0.29 H new ATOM 0 HA ARG A 72 1.862 2.737 7.427 1.00 0.34 H new ATOM 0 HB2 ARG A 72 0.732 3.521 9.362 1.00 0.42 H new ATOM 0 HB3 ARG A 72 0.435 1.898 9.954 1.00 0.42 H new ATOM 0 HG2 ARG A 72 2.863 1.632 10.411 1.00 0.72 H new ATOM 0 HG3 ARG A 72 3.141 3.267 9.845 1.00 0.72 H new ATOM 0 HD2 ARG A 72 1.287 2.491 12.141 1.00 0.75 H new ATOM 0 HD3 ARG A 72 2.893 3.169 12.326 1.00 0.75 H new ATOM 0 HE ARG A 72 1.773 5.059 10.765 1.00 0.84 H new ATOM 0 HH11 ARG A 72 0.149 3.373 13.430 1.00 2.34 H new ATOM 0 HH12 ARG A 72 -0.704 4.824 13.967 1.00 2.34 H new ATOM 0 HH21 ARG A 72 0.800 6.928 11.565 1.00 1.57 H new ATOM 0 HH22 ARG A 72 -0.336 6.827 12.914 1.00 1.57 H new ATOM 1078 N GLU A 73 1.731 -0.430 8.212 1.00 0.30 N ATOM 1079 CA GLU A 73 2.461 -1.687 8.157 1.00 0.31 C ATOM 1080 C GLU A 73 2.915 -1.998 6.715 1.00 0.30 C ATOM 1081 O GLU A 73 4.070 -2.380 6.481 1.00 0.33 O ATOM 1082 CB GLU A 73 1.581 -2.794 8.724 1.00 0.36 C ATOM 1083 CG GLU A 73 2.135 -4.190 8.630 1.00 0.42 C ATOM 1084 CD GLU A 73 1.254 -5.171 9.340 1.00 1.08 C ATOM 1085 OE1 GLU A 73 0.118 -5.396 8.885 1.00 1.74 O ATOM 1086 OE2 GLU A 73 1.690 -5.781 10.336 1.00 1.68 O ATOM 0 H GLU A 73 0.745 -0.536 8.450 1.00 0.30 H new ATOM 0 HA GLU A 73 3.365 -1.613 8.761 1.00 0.31 H new ATOM 0 HB2 GLU A 73 1.383 -2.573 9.773 1.00 0.36 H new ATOM 0 HB3 GLU A 73 0.622 -2.769 8.207 1.00 0.36 H new ATOM 0 HG2 GLU A 73 2.232 -4.476 7.583 1.00 0.42 H new ATOM 0 HG3 GLU A 73 3.136 -4.217 9.062 1.00 0.42 H new ATOM 1093 N LEU A 74 2.017 -1.797 5.761 1.00 0.28 N ATOM 1094 CA LEU A 74 2.313 -2.027 4.343 1.00 0.31 C ATOM 1095 C LEU A 74 3.347 -0.989 3.860 1.00 0.31 C ATOM 1096 O LEU A 74 4.242 -1.305 3.072 1.00 0.34 O ATOM 1097 CB LEU A 74 0.971 -2.001 3.528 1.00 0.32 C ATOM 1098 CG LEU A 74 0.977 -2.297 1.991 1.00 0.35 C ATOM 1099 CD1 LEU A 74 1.410 -1.085 1.177 1.00 0.60 C ATOM 1100 CD2 LEU A 74 1.882 -3.483 1.664 1.00 0.50 C ATOM 0 H LEU A 74 1.067 -1.472 5.940 1.00 0.28 H new ATOM 0 HA LEU A 74 2.761 -3.008 4.187 1.00 0.31 H new ATOM 0 HB2 LEU A 74 0.297 -2.720 3.993 1.00 0.32 H new ATOM 0 HB3 LEU A 74 0.529 -1.014 3.665 1.00 0.32 H new ATOM 0 HG LEU A 74 -0.049 -2.542 1.717 1.00 0.35 H new ATOM 0 HD11 LEU A 74 1.399 -1.336 0.116 1.00 0.60 H new ATOM 0 HD12 LEU A 74 0.723 -0.259 1.361 1.00 0.60 H new ATOM 0 HD13 LEU A 74 2.418 -0.791 1.470 1.00 0.60 H new ATOM 0 HD21 LEU A 74 1.867 -3.667 0.590 1.00 0.50 H new ATOM 0 HD22 LEU A 74 2.901 -3.261 1.980 1.00 0.50 H new ATOM 0 HD23 LEU A 74 1.524 -4.369 2.188 1.00 0.50 H new ATOM 1112 N LEU A 75 3.219 0.224 4.370 1.00 0.32 N ATOM 1113 CA LEU A 75 4.147 1.316 4.108 1.00 0.34 C ATOM 1114 C LEU A 75 5.563 0.918 4.509 1.00 0.33 C ATOM 1115 O LEU A 75 6.495 1.003 3.705 1.00 0.31 O ATOM 1116 CB LEU A 75 3.716 2.561 4.896 1.00 0.38 C ATOM 1117 CG LEU A 75 4.563 3.817 4.712 1.00 0.45 C ATOM 1118 CD1 LEU A 75 4.535 4.262 3.267 1.00 0.52 C ATOM 1119 CD2 LEU A 75 4.069 4.929 5.623 1.00 0.52 C ATOM 0 H LEU A 75 2.452 0.485 4.990 1.00 0.32 H new ATOM 0 HA LEU A 75 4.135 1.539 3.041 1.00 0.34 H new ATOM 0 HB2 LEU A 75 2.689 2.800 4.619 1.00 0.38 H new ATOM 0 HB3 LEU A 75 3.710 2.307 5.956 1.00 0.38 H new ATOM 0 HG LEU A 75 5.593 3.585 4.982 1.00 0.45 H new ATOM 0 HD11 LEU A 75 5.143 5.159 3.151 1.00 0.52 H new ATOM 0 HD12 LEU A 75 4.933 3.469 2.634 1.00 0.52 H new ATOM 0 HD13 LEU A 75 3.508 4.480 2.973 1.00 0.52 H new ATOM 0 HD21 LEU A 75 4.684 5.817 5.479 1.00 0.52 H new ATOM 0 HD22 LEU A 75 3.032 5.163 5.382 1.00 0.52 H new ATOM 0 HD23 LEU A 75 4.136 4.605 6.662 1.00 0.52 H new ATOM 1131 N ASP A 76 5.702 0.447 5.747 1.00 0.35 N ATOM 1132 CA ASP A 76 7.000 0.028 6.292 1.00 0.37 C ATOM 1133 C ASP A 76 7.609 -1.095 5.477 1.00 0.34 C ATOM 1134 O ASP A 76 8.821 -1.154 5.303 1.00 0.35 O ATOM 1135 CB ASP A 76 6.869 -0.414 7.747 1.00 0.45 C ATOM 1136 CG ASP A 76 8.186 -0.891 8.338 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.992 -0.045 8.785 1.00 0.69 O ATOM 1138 OD2 ASP A 76 8.432 -2.114 8.380 1.00 0.59 O ATOM 0 H ASP A 76 4.925 0.344 6.400 1.00 0.35 H new ATOM 0 HA ASP A 76 7.660 0.894 6.240 1.00 0.37 H new ATOM 0 HB2 ASP A 76 6.489 0.417 8.342 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.134 -1.216 7.814 1.00 0.45 H new ATOM 1143 N LEU A 77 6.756 -1.947 4.938 1.00 0.34 N ATOM 1144 CA LEU A 77 7.196 -3.085 4.150 1.00 0.35 C ATOM 1145 C LEU A 77 7.920 -2.571 2.896 1.00 0.34 C ATOM 1146 O LEU A 77 9.009 -3.037 2.554 1.00 0.43 O ATOM 1147 CB LEU A 77 5.966 -3.970 3.782 1.00 0.38 C ATOM 1148 CG LEU A 77 6.212 -5.423 3.282 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.915 -5.486 1.933 1.00 1.15 C ATOM 1150 CD2 LEU A 77 6.981 -6.216 4.325 1.00 1.54 C ATOM 0 H LEU A 77 5.743 -1.871 5.033 1.00 0.34 H new ATOM 0 HA LEU A 77 7.891 -3.701 4.721 1.00 0.35 H new ATOM 0 HB2 LEU A 77 5.325 -4.028 4.662 1.00 0.38 H new ATOM 0 HB3 LEU A 77 5.401 -3.446 3.011 1.00 0.38 H new ATOM 0 HG LEU A 77 5.230 -5.872 3.134 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.055 -6.528 1.644 1.00 1.15 H new ATOM 0 HD12 LEU A 77 6.308 -4.980 1.182 1.00 1.15 H new ATOM 0 HD13 LEU A 77 7.886 -4.996 2.005 1.00 1.15 H new ATOM 0 HD21 LEU A 77 7.146 -7.230 3.962 1.00 1.54 H new ATOM 0 HD22 LEU A 77 7.942 -5.736 4.511 1.00 1.54 H new ATOM 0 HD23 LEU A 77 6.407 -6.251 5.251 1.00 1.54 H new ATOM 1162 N ILE A 78 7.346 -1.570 2.256 1.00 0.27 N ATOM 1163 CA ILE A 78 7.949 -1.028 1.058 1.00 0.26 C ATOM 1164 C ILE A 78 9.146 -0.164 1.422 1.00 0.28 C ATOM 1165 O ILE A 78 10.144 -0.149 0.715 1.00 0.33 O ATOM 1166 CB ILE A 78 6.943 -0.243 0.176 1.00 0.21 C ATOM 1167 CG1 ILE A 78 5.743 -1.139 -0.131 1.00 0.25 C ATOM 1168 CG2 ILE A 78 7.616 0.214 -1.129 1.00 0.25 C ATOM 1169 CD1 ILE A 78 4.724 -0.535 -1.065 1.00 0.29 C ATOM 0 H ILE A 78 6.475 -1.122 2.542 1.00 0.27 H new ATOM 0 HA ILE A 78 8.285 -1.872 0.456 1.00 0.26 H new ATOM 0 HB ILE A 78 6.607 0.644 0.713 1.00 0.21 H new ATOM 0 HG12 ILE A 78 6.105 -2.071 -0.565 1.00 0.25 H new ATOM 0 HG13 ILE A 78 5.249 -1.395 0.806 1.00 0.25 H new ATOM 0 HG21 ILE A 78 6.897 0.763 -1.736 1.00 0.25 H new ATOM 0 HG22 ILE A 78 8.462 0.860 -0.895 1.00 0.25 H new ATOM 0 HG23 ILE A 78 7.967 -0.657 -1.682 1.00 0.25 H new ATOM 0 HD11 ILE A 78 3.911 -1.243 -1.223 1.00 0.29 H new ATOM 0 HD12 ILE A 78 4.327 0.381 -0.627 1.00 0.29 H new ATOM 0 HD13 ILE A 78 5.197 -0.306 -2.020 1.00 0.29 H new ATOM 1181 N ASN A 79 9.065 0.504 2.557 1.00 0.28 N ATOM 1182 CA ASN A 79 10.177 1.323 3.047 1.00 0.32 C ATOM 1183 C ASN A 79 11.394 0.467 3.364 1.00 0.34 C ATOM 1184 O ASN A 79 12.544 0.882 3.156 1.00 0.37 O ATOM 1185 CB ASN A 79 9.772 2.200 4.244 1.00 0.37 C ATOM 1186 CG ASN A 79 8.859 3.338 3.828 1.00 0.43 C ATOM 1187 OD1 ASN A 79 8.918 3.792 2.698 1.00 1.24 O ATOM 1188 ND2 ASN A 79 8.050 3.837 4.730 1.00 0.69 N ATOM 0 H ASN A 79 8.244 0.501 3.163 1.00 0.28 H new ATOM 0 HA ASN A 79 10.451 2.004 2.241 1.00 0.32 H new ATOM 0 HB2 ASN A 79 9.269 1.585 4.991 1.00 0.37 H new ATOM 0 HB3 ASN A 79 10.667 2.606 4.716 1.00 0.37 H new ATOM 0 HD21 ASN A 79 7.448 4.626 4.494 1.00 0.69 H new ATOM 0 HD22 ASN A 79 8.022 3.436 5.668 1.00 0.69 H new ATOM 1195 N GLY A 80 11.143 -0.739 3.832 1.00 0.37 N ATOM 1196 CA GLY A 80 12.202 -1.683 4.073 1.00 0.43 C ATOM 1197 C GLY A 80 12.759 -2.222 2.770 1.00 0.42 C ATOM 1198 O GLY A 80 13.932 -2.580 2.683 1.00 0.50 O ATOM 0 H GLY A 80 10.209 -1.084 4.052 1.00 0.37 H new ATOM 0 HA2 GLY A 80 12.999 -1.203 4.642 1.00 0.43 H new ATOM 0 HA3 GLY A 80 11.828 -2.507 4.681 1.00 0.43 H new ATOM 1202 N ALA A 81 11.915 -2.292 1.758 1.00 0.38 N ATOM 1203 CA ALA A 81 12.314 -2.749 0.434 1.00 0.40 C ATOM 1204 C ALA A 81 13.159 -1.680 -0.266 1.00 0.37 C ATOM 1205 O ALA A 81 14.162 -1.986 -0.917 1.00 0.44 O ATOM 1206 CB ALA A 81 11.086 -3.103 -0.399 1.00 0.42 C ATOM 0 H ALA A 81 10.931 -2.034 1.828 1.00 0.38 H new ATOM 0 HA ALA A 81 12.922 -3.647 0.542 1.00 0.40 H new ATOM 0 HB1 ALA A 81 11.401 -3.443 -1.386 1.00 0.42 H new ATOM 0 HB2 ALA A 81 10.527 -3.897 0.096 1.00 0.42 H new ATOM 0 HB3 ALA A 81 10.451 -2.223 -0.504 1.00 0.42 H new ATOM 1212 N LEU A 82 12.769 -0.415 -0.078 1.00 0.35 N ATOM 1213 CA LEU A 82 13.454 0.755 -0.663 1.00 0.39 C ATOM 1214 C LEU A 82 14.925 0.809 -0.285 1.00 0.53 C ATOM 1215 O LEU A 82 15.724 1.391 -0.993 1.00 0.67 O ATOM 1216 CB LEU A 82 12.788 2.067 -0.221 1.00 0.39 C ATOM 1217 CG LEU A 82 11.354 2.317 -0.688 1.00 0.37 C ATOM 1218 CD1 LEU A 82 10.847 3.627 -0.124 1.00 0.49 C ATOM 1219 CD2 LEU A 82 11.279 2.339 -2.202 1.00 0.49 C ATOM 0 H LEU A 82 11.960 -0.166 0.491 1.00 0.35 H new ATOM 0 HA LEU A 82 13.372 0.642 -1.744 1.00 0.39 H new ATOM 0 HB2 LEU A 82 12.799 2.100 0.868 1.00 0.39 H new ATOM 0 HB3 LEU A 82 13.406 2.894 -0.571 1.00 0.39 H new ATOM 0 HG LEU A 82 10.726 1.504 -0.324 1.00 0.37 H new ATOM 0 HD11 LEU A 82 9.825 3.797 -0.462 1.00 0.49 H new ATOM 0 HD12 LEU A 82 10.867 3.586 0.965 1.00 0.49 H new ATOM 0 HD13 LEU A 82 11.483 4.442 -0.469 1.00 0.49 H new ATOM 0 HD21 LEU A 82 10.250 2.518 -2.513 1.00 0.49 H new ATOM 0 HD22 LEU A 82 11.918 3.134 -2.586 1.00 0.49 H new ATOM 0 HD23 LEU A 82 11.615 1.380 -2.597 1.00 0.49 H new ATOM 1231 N ALA A 83 15.262 0.174 0.815 1.00 0.63 N ATOM 1232 CA ALA A 83 16.609 0.161 1.342 1.00 0.81 C ATOM 1233 C ALA A 83 17.604 -0.473 0.377 1.00 0.84 C ATOM 1234 O ALA A 83 18.760 -0.063 0.319 1.00 1.00 O ATOM 1235 CB ALA A 83 16.629 -0.582 2.658 1.00 0.99 C ATOM 0 H ALA A 83 14.597 -0.357 1.378 1.00 0.63 H new ATOM 0 HA ALA A 83 16.915 1.197 1.488 1.00 0.81 H new ATOM 0 HB1 ALA A 83 17.644 -0.592 3.055 1.00 0.99 H new ATOM 0 HB2 ALA A 83 15.967 -0.085 3.367 1.00 0.99 H new ATOM 0 HB3 ALA A 83 16.290 -1.606 2.503 1.00 0.99 H new ATOM 1241 N GLU A 84 17.160 -1.451 -0.391 1.00 0.79 N ATOM 1242 CA GLU A 84 18.060 -2.150 -1.299 1.00 0.94 C ATOM 1243 C GLU A 84 17.530 -2.192 -2.726 1.00 0.95 C ATOM 1244 O GLU A 84 18.314 -2.159 -3.686 1.00 1.34 O ATOM 1245 CB GLU A 84 18.346 -3.553 -0.778 1.00 1.11 C ATOM 1246 CG GLU A 84 19.106 -3.563 0.535 1.00 1.64 C ATOM 1247 CD GLU A 84 19.188 -4.923 1.143 1.00 1.84 C ATOM 1248 OE1 GLU A 84 20.081 -5.713 0.771 1.00 2.22 O ATOM 1249 OE2 GLU A 84 18.360 -5.236 2.002 1.00 2.18 O ATOM 0 H GLU A 84 16.194 -1.779 -0.407 1.00 0.79 H new ATOM 0 HA GLU A 84 18.993 -1.588 -1.333 1.00 0.94 H new ATOM 0 HB2 GLU A 84 17.403 -4.084 -0.648 1.00 1.11 H new ATOM 0 HB3 GLU A 84 18.919 -4.101 -1.526 1.00 1.11 H new ATOM 0 HG2 GLU A 84 20.114 -3.182 0.370 1.00 1.64 H new ATOM 0 HG3 GLU A 84 18.620 -2.885 1.236 1.00 1.64 H new