USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 36 SER OG : rot -120:sc= 0.425 USER MOD Set 1.2: A 51 GLN : amide:sc= 0.461 X(o=0.89,f=0.44) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 38:sc= 0.127 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.78 (180deg=1.45) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= -1.41 K(o=-1.4,f=-6.7!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -70:sc= 0.896 USER MOD Single : A 63 THR OG1 : rot -15:sc= 1.2 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.859 K(o=0.86,f=-5.8!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -137:sc=-0.00283 (180deg=-0.0736) USER MOD Single : A 82 THR OG1 : rot -90:sc= 0.598 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= 1.25 (180deg=-0.0874) USER MOD Single : A 89 MET CE :methyl -148:sc= -0.249 (180deg=-1.15) USER MOD Single : A 91 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.7) USER MOD Single : A 94 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0508) USER MOD Single : A 98 THR OG1 : rot -110:sc= -1.13 USER MOD Single : A 100 HIS : no HD1:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 101 TYR OH : rot 121:sc= -2.85! USER MOD Single : A 102 ASN : amide:sc= 0.38 K(o=0.38,f=-0.25) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.37) USER MOD Single : A 127 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.904) USER MOD ----------------------------------------------------------------- ATOM 112 N LYS A 22 2.074 6.049 8.458 1.00 0.00 N ATOM 113 CA LYS A 22 2.211 7.172 7.569 1.00 0.00 C ATOM 114 C LYS A 22 0.860 7.848 7.307 1.00 0.00 C ATOM 115 O LYS A 22 0.589 8.922 7.846 1.00 0.00 O ATOM 116 CB LYS A 22 2.847 6.745 6.251 1.00 0.00 C ATOM 117 CG LYS A 22 2.796 7.824 5.194 1.00 0.00 C ATOM 118 CD LYS A 22 3.882 8.887 5.364 1.00 0.00 C ATOM 119 CE LYS A 22 3.520 9.942 6.402 1.00 0.00 C ATOM 120 NZ LYS A 22 4.589 10.966 6.548 1.00 0.00 N ATOM 0 HA LYS A 22 2.864 7.896 8.057 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.886 6.467 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.338 5.856 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.897 7.365 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.818 8.305 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.815 8.403 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.060 9.374 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.588 10.429 6.115 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.345 9.460 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.304 11.665 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.472 10.505 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.739 11.444 5.637 1.00 0.00 H new ATOM 134 N VAL A 23 0.009 7.226 6.491 1.00 0.00 N ATOM 135 CA VAL A 23 -1.202 7.885 6.027 1.00 0.00 C ATOM 136 C VAL A 23 -2.316 6.856 5.836 1.00 0.00 C ATOM 137 O VAL A 23 -2.044 5.663 5.743 1.00 0.00 O ATOM 138 CB VAL A 23 -0.904 8.650 4.707 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.346 7.714 3.655 1.00 0.00 C ATOM 140 CG2 VAL A 23 -2.126 9.355 4.161 1.00 0.00 C ATOM 0 H VAL A 23 0.138 6.276 6.143 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.538 8.606 6.772 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.160 9.409 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.146 8.272 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.580 7.269 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.070 6.926 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.865 9.874 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.907 8.623 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.488 10.077 4.894 1.00 0.00 H new ATOM 150 N THR A 24 -3.567 7.297 5.847 1.00 0.00 N ATOM 151 CA THR A 24 -4.676 6.412 5.621 1.00 0.00 C ATOM 152 C THR A 24 -5.549 6.907 4.464 1.00 0.00 C ATOM 153 O THR A 24 -6.054 8.029 4.495 1.00 0.00 O ATOM 154 CB THR A 24 -5.504 6.295 6.902 1.00 0.00 C ATOM 155 OG1 THR A 24 -5.810 7.599 7.419 1.00 0.00 O ATOM 156 CG2 THR A 24 -4.753 5.495 7.955 1.00 0.00 C ATOM 0 H THR A 24 -3.828 8.269 6.012 1.00 0.00 H new ATOM 0 HA THR A 24 -4.290 5.430 5.349 1.00 0.00 H new ATOM 0 HB THR A 24 -6.432 5.777 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.997 8.210 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.359 5.423 8.858 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.549 4.494 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.812 5.993 8.188 1.00 0.00 H new ATOM 164 N LEU A 25 -5.706 6.069 3.443 1.00 0.00 N ATOM 165 CA LEU A 25 -6.493 6.420 2.259 1.00 0.00 C ATOM 166 C LEU A 25 -7.626 5.423 2.077 1.00 0.00 C ATOM 167 O LEU A 25 -7.939 4.648 2.984 1.00 0.00 O ATOM 168 CB LEU A 25 -5.627 6.408 0.985 1.00 0.00 C ATOM 169 CG LEU A 25 -4.509 7.448 0.902 1.00 0.00 C ATOM 170 CD1 LEU A 25 -5.008 8.813 1.333 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.316 7.018 1.729 1.00 0.00 C ATOM 0 H LEU A 25 -5.297 5.135 3.410 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.887 7.425 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.179 5.419 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.284 6.546 0.126 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.189 7.523 -0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.195 9.536 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.825 9.124 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.364 8.762 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.532 7.772 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.617 6.907 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.939 6.066 1.356 1.00 0.00 H new ATOM 183 N GLN A 26 -8.235 5.438 0.906 1.00 0.00 N ATOM 184 CA GLN A 26 -9.239 4.474 0.572 1.00 0.00 C ATOM 185 C GLN A 26 -9.100 4.060 -0.875 1.00 0.00 C ATOM 186 O GLN A 26 -8.498 4.768 -1.675 1.00 0.00 O ATOM 187 CB GLN A 26 -10.637 5.000 0.862 1.00 0.00 C ATOM 188 CG GLN A 26 -11.157 5.979 -0.166 1.00 0.00 C ATOM 189 CD GLN A 26 -12.615 6.329 0.053 1.00 0.00 C ATOM 190 OE1 GLN A 26 -13.059 6.287 1.300 1.00 0.00 O flip ATOM 191 NE2 GLN A 26 -13.342 6.618 -0.895 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.042 6.118 0.171 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.091 3.596 1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.325 4.157 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.636 5.483 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.559 6.889 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.034 5.554 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.962 6.639 -1.841 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.325 6.836 -0.735 1.00 0.00 H new ATOM 200 N LYS A 27 -9.639 2.898 -1.174 1.00 0.00 N ATOM 201 CA LYS A 27 -9.474 2.258 -2.470 1.00 0.00 C ATOM 202 C LYS A 27 -9.844 3.167 -3.639 1.00 0.00 C ATOM 203 O LYS A 27 -10.631 4.111 -3.512 1.00 0.00 O ATOM 204 CB LYS A 27 -10.349 1.011 -2.558 1.00 0.00 C ATOM 205 CG LYS A 27 -10.094 -0.027 -1.487 1.00 0.00 C ATOM 206 CD LYS A 27 -8.645 -0.436 -1.466 1.00 0.00 C ATOM 207 CE LYS A 27 -8.477 -1.885 -1.073 1.00 0.00 C ATOM 208 NZ LYS A 27 -8.925 -2.139 0.319 1.00 0.00 N ATOM 0 H LYS A 27 -10.211 2.362 -0.521 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.415 2.009 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.394 1.315 -2.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.199 0.549 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.377 0.373 -0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.720 -0.901 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.207 -0.273 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.099 0.196 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.046 -2.515 -1.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.430 -2.169 -1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.699 -3.119 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.438 -1.486 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.952 -1.990 0.386 1.00 0.00 H new ATOM 222 N ASP A 28 -9.259 2.842 -4.776 1.00 0.00 N ATOM 223 CA ASP A 28 -9.604 3.451 -6.047 1.00 0.00 C ATOM 224 C ASP A 28 -10.791 2.684 -6.625 1.00 0.00 C ATOM 225 O ASP A 28 -11.247 1.722 -6.005 1.00 0.00 O ATOM 226 CB ASP A 28 -8.389 3.381 -6.987 1.00 0.00 C ATOM 227 CG ASP A 28 -8.531 4.226 -8.237 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.167 5.417 -8.196 1.00 0.00 O ATOM 229 OD2 ASP A 28 -8.983 3.692 -9.272 1.00 0.00 O ATOM 0 H ASP A 28 -8.522 2.140 -4.844 1.00 0.00 H new ATOM 0 HA ASP A 28 -9.875 4.499 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.501 3.702 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.226 2.343 -7.278 1.00 0.00 H new ATOM 234 N ALA A 29 -11.278 3.059 -7.797 1.00 0.00 N ATOM 235 CA ALA A 29 -12.400 2.351 -8.413 1.00 0.00 C ATOM 236 C ALA A 29 -12.055 0.880 -8.659 1.00 0.00 C ATOM 237 O ALA A 29 -12.938 0.028 -8.776 1.00 0.00 O ATOM 238 CB ALA A 29 -12.796 3.021 -9.717 1.00 0.00 C ATOM 0 H ALA A 29 -10.920 3.844 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.243 2.392 -7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.632 2.483 -10.163 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.091 4.052 -9.521 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.949 3.010 -10.403 1.00 0.00 H new ATOM 244 N GLN A 30 -10.763 0.590 -8.706 1.00 0.00 N ATOM 245 CA GLN A 30 -10.271 -0.743 -8.987 1.00 0.00 C ATOM 246 C GLN A 30 -10.073 -1.536 -7.703 1.00 0.00 C ATOM 247 O GLN A 30 -9.604 -2.675 -7.726 1.00 0.00 O ATOM 248 CB GLN A 30 -8.968 -0.613 -9.724 1.00 0.00 C ATOM 249 CG GLN A 30 -8.983 -1.282 -11.084 1.00 0.00 C ATOM 250 CD GLN A 30 -8.857 -2.790 -10.994 1.00 0.00 C ATOM 251 OE1 GLN A 30 -9.851 -3.507 -10.886 1.00 0.00 O ATOM 252 NE2 GLN A 30 -7.629 -3.281 -11.036 1.00 0.00 N ATOM 0 H GLN A 30 -10.027 1.278 -8.549 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.000 -1.281 -9.593 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.732 0.444 -9.849 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -8.171 -1.048 -9.121 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.910 -1.029 -11.599 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.165 -0.888 -11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.831 -2.652 -11.126 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.480 -4.288 -10.978 1.00 0.00 H new ATOM 261 N ASN A 31 -10.422 -0.902 -6.588 1.00 0.00 N ATOM 262 CA ASN A 31 -10.323 -1.507 -5.251 1.00 0.00 C ATOM 263 C ASN A 31 -8.862 -1.648 -4.843 1.00 0.00 C ATOM 264 O ASN A 31 -8.455 -2.620 -4.204 1.00 0.00 O ATOM 265 CB ASN A 31 -11.012 -2.872 -5.207 1.00 0.00 C ATOM 266 CG ASN A 31 -11.032 -3.500 -3.820 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.184 -2.809 -2.807 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.838 -4.810 -3.764 1.00 0.00 N ATOM 0 H ASN A 31 -10.784 0.051 -6.579 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.830 -0.848 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.037 -2.764 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.505 -3.548 -5.896 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.810 -5.283 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.717 -5.345 -4.624 1.00 0.00 H new ATOM 275 N LEU A 32 -8.062 -0.688 -5.238 1.00 0.00 N ATOM 276 CA LEU A 32 -6.650 -0.714 -4.900 1.00 0.00 C ATOM 277 C LEU A 32 -6.129 0.665 -4.548 1.00 0.00 C ATOM 278 O LEU A 32 -6.903 1.607 -4.403 1.00 0.00 O ATOM 279 CB LEU A 32 -5.862 -1.320 -6.055 1.00 0.00 C ATOM 280 CG LEU A 32 -6.233 -0.802 -7.453 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.751 0.622 -7.680 1.00 0.00 C ATOM 282 CD2 LEU A 32 -5.676 -1.723 -8.518 1.00 0.00 C ATOM 0 H LEU A 32 -8.356 0.118 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.520 -1.334 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.802 -1.132 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.001 -2.401 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.321 -0.792 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.035 0.947 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.206 1.282 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.666 0.659 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.946 -1.345 -9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.590 -1.766 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.090 -2.723 -8.387 1.00 0.00 H new ATOM 294 N ILE A 33 -4.819 0.775 -4.413 1.00 0.00 N ATOM 295 CA ILE A 33 -4.202 2.005 -3.996 1.00 0.00 C ATOM 296 C ILE A 33 -3.533 2.727 -5.154 1.00 0.00 C ATOM 297 O ILE A 33 -3.389 3.948 -5.132 1.00 0.00 O ATOM 298 CB ILE A 33 -3.177 1.738 -2.886 1.00 0.00 C ATOM 299 CG1 ILE A 33 -2.865 0.228 -2.781 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.706 2.284 -1.572 1.00 0.00 C ATOM 301 CD1 ILE A 33 -1.772 -0.092 -1.786 1.00 0.00 C ATOM 0 H ILE A 33 -4.163 0.014 -4.590 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.993 2.650 -3.614 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.243 2.246 -3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.773 -0.304 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.573 -0.144 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.980 2.096 -0.781 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.872 3.357 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.647 1.791 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.605 -1.169 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.852 0.412 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.071 0.250 -0.795 1.00 0.00 H new ATOM 313 N GLY A 34 -3.146 1.972 -6.171 1.00 0.00 N ATOM 314 CA GLY A 34 -2.484 2.562 -7.315 1.00 0.00 C ATOM 315 C GLY A 34 -0.977 2.542 -7.186 1.00 0.00 C ATOM 316 O GLY A 34 -0.300 3.472 -7.623 1.00 0.00 O ATOM 0 H GLY A 34 -3.278 0.962 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.775 2.024 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.822 3.591 -7.435 1.00 0.00 H new ATOM 320 N ILE A 35 -0.450 1.490 -6.582 1.00 0.00 N ATOM 321 CA ILE A 35 0.993 1.356 -6.421 1.00 0.00 C ATOM 322 C ILE A 35 1.482 0.064 -7.045 1.00 0.00 C ATOM 323 O ILE A 35 0.692 -0.719 -7.570 1.00 0.00 O ATOM 324 CB ILE A 35 1.422 1.390 -4.932 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.671 0.348 -4.098 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.227 2.774 -4.341 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.256 -1.043 -4.162 1.00 0.00 C ATOM 0 H ILE A 35 -0.994 0.719 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 35 1.444 2.209 -6.928 1.00 0.00 H new ATOM 0 HB ILE A 35 2.483 1.142 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.656 0.675 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.365 0.309 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.536 2.770 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.830 3.494 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.176 3.053 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.663 -1.716 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.246 -1.395 -5.194 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.282 -1.023 -3.796 1.00 0.00 H new ATOM 339 N SER A 36 2.781 -0.160 -6.981 1.00 0.00 N ATOM 340 CA SER A 36 3.350 -1.416 -7.416 1.00 0.00 C ATOM 341 C SER A 36 4.246 -2.008 -6.349 1.00 0.00 C ATOM 342 O SER A 36 5.051 -1.310 -5.738 1.00 0.00 O ATOM 343 CB SER A 36 4.089 -1.249 -8.731 1.00 0.00 C ATOM 344 OG SER A 36 3.152 -0.962 -9.746 1.00 0.00 O ATOM 0 H SER A 36 3.461 0.515 -6.631 1.00 0.00 H new ATOM 0 HA SER A 36 2.532 -2.117 -7.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.820 -0.444 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.640 -2.158 -8.972 1.00 0.00 H new ATOM 0 HG SER A 36 3.196 -1.655 -10.437 1.00 0.00 H new ATOM 350 N ILE A 37 4.080 -3.298 -6.139 1.00 0.00 N ATOM 351 CA ILE A 37 4.806 -4.018 -5.103 1.00 0.00 C ATOM 352 C ILE A 37 5.957 -4.825 -5.697 1.00 0.00 C ATOM 353 O ILE A 37 5.827 -5.448 -6.753 1.00 0.00 O ATOM 354 CB ILE A 37 3.878 -4.961 -4.297 1.00 0.00 C ATOM 355 CG1 ILE A 37 2.796 -4.165 -3.559 1.00 0.00 C ATOM 356 CG2 ILE A 37 4.681 -5.799 -3.304 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.333 -3.276 -2.454 1.00 0.00 C ATOM 0 H ILE A 37 3.440 -3.880 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 37 5.208 -3.266 -4.424 1.00 0.00 H new ATOM 0 HB ILE A 37 3.393 -5.632 -5.005 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.258 -3.548 -4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.074 -4.861 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.007 -6.453 -2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.410 -6.403 -3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.200 -5.140 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.507 -2.746 -1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.846 -3.888 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.033 -2.554 -2.875 1.00 0.00 H new ATOM 369 N GLY A 38 7.078 -4.797 -5.002 1.00 0.00 N ATOM 370 CA GLY A 38 8.255 -5.534 -5.413 1.00 0.00 C ATOM 371 C GLY A 38 9.263 -5.642 -4.286 1.00 0.00 C ATOM 372 O GLY A 38 9.685 -4.631 -3.728 1.00 0.00 O ATOM 0 H GLY A 38 7.197 -4.265 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.965 -6.532 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.715 -5.039 -6.268 1.00 0.00 H new ATOM 514 N ILE A 49 7.426 -0.883 -2.288 1.00 0.00 N ATOM 515 CA ILE A 49 6.715 0.022 -3.172 1.00 0.00 C ATOM 516 C ILE A 49 7.654 0.488 -4.298 1.00 0.00 C ATOM 517 O ILE A 49 8.621 1.230 -4.091 1.00 0.00 O ATOM 518 CB ILE A 49 6.052 1.197 -2.388 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.852 1.760 -3.159 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.038 2.311 -2.080 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.216 2.774 -4.222 1.00 0.00 C ATOM 0 HA ILE A 49 5.885 -0.509 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 49 5.707 0.786 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.317 0.935 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.165 2.224 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.530 3.106 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.854 1.918 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.439 2.710 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.310 3.121 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.723 3.620 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.877 2.312 -4.955 1.00 0.00 H new ATOM 533 N VAL A 50 7.394 -0.016 -5.492 1.00 0.00 N ATOM 534 CA VAL A 50 8.260 0.225 -6.635 1.00 0.00 C ATOM 535 C VAL A 50 7.888 1.517 -7.352 1.00 0.00 C ATOM 536 O VAL A 50 8.759 2.248 -7.820 1.00 0.00 O ATOM 537 CB VAL A 50 8.200 -0.947 -7.638 1.00 0.00 C ATOM 538 CG1 VAL A 50 9.152 -0.717 -8.801 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.516 -2.262 -6.944 1.00 0.00 C ATOM 0 H VAL A 50 6.583 -0.600 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 50 9.275 0.314 -6.249 1.00 0.00 H new ATOM 0 HB VAL A 50 7.186 -1.000 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.091 -1.557 -9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.877 0.201 -9.320 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.171 -0.630 -8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.469 -3.076 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.517 -2.216 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.789 -2.439 -6.151 1.00 0.00 H new ATOM 549 N GLN A 51 6.598 1.817 -7.397 1.00 0.00 N ATOM 550 CA GLN A 51 6.108 2.944 -8.166 1.00 0.00 C ATOM 551 C GLN A 51 4.681 3.259 -7.757 1.00 0.00 C ATOM 552 O GLN A 51 4.012 2.438 -7.126 1.00 0.00 O ATOM 553 CB GLN A 51 6.168 2.657 -9.675 1.00 0.00 C ATOM 554 CG GLN A 51 4.927 1.980 -10.228 1.00 0.00 C ATOM 555 CD GLN A 51 5.080 1.571 -11.675 1.00 0.00 C ATOM 556 OE1 GLN A 51 5.809 2.205 -12.441 1.00 0.00 O ATOM 557 NE2 GLN A 51 4.396 0.509 -12.063 1.00 0.00 N ATOM 0 H GLN A 51 5.873 1.292 -6.908 1.00 0.00 H new ATOM 0 HA GLN A 51 6.747 3.802 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.324 3.596 -10.206 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.034 2.027 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.701 1.099 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.077 2.656 -10.134 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.804 0.012 -11.397 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.460 0.186 -13.028 1.00 0.00 H new ATOM 566 N VAL A 52 4.232 4.440 -8.116 1.00 0.00 N ATOM 567 CA VAL A 52 2.885 4.879 -7.797 1.00 0.00 C ATOM 568 C VAL A 52 2.297 5.666 -8.968 1.00 0.00 C ATOM 569 O VAL A 52 3.032 6.166 -9.823 1.00 0.00 O ATOM 570 CB VAL A 52 2.874 5.739 -6.512 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.509 7.100 -6.752 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.468 5.882 -5.958 1.00 0.00 C ATOM 0 H VAL A 52 4.784 5.123 -8.635 1.00 0.00 H new ATOM 0 HA VAL A 52 2.270 3.997 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 52 3.475 5.221 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.486 7.680 -5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.543 6.968 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.954 7.629 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.493 6.492 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.831 6.361 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.069 4.896 -5.719 1.00 0.00 H new ATOM 582 N PHE A 53 0.979 5.772 -9.005 1.00 0.00 N ATOM 583 CA PHE A 53 0.293 6.471 -10.063 1.00 0.00 C ATOM 584 C PHE A 53 -0.429 7.675 -9.472 1.00 0.00 C ATOM 585 O PHE A 53 -1.254 7.555 -8.576 1.00 0.00 O ATOM 586 CB PHE A 53 -0.669 5.530 -10.791 1.00 0.00 C ATOM 587 CG PHE A 53 -0.011 4.268 -11.280 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.954 4.311 -12.273 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.351 3.038 -10.736 1.00 0.00 C ATOM 590 CE1 PHE A 53 1.567 3.154 -12.714 1.00 0.00 C ATOM 591 CE2 PHE A 53 0.260 1.878 -11.172 1.00 0.00 C ATOM 592 CZ PHE A 53 1.219 1.936 -12.164 1.00 0.00 C ATOM 0 H PHE A 53 0.360 5.373 -8.299 1.00 0.00 H new ATOM 0 HA PHE A 53 1.011 6.825 -10.803 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.488 5.268 -10.120 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.108 6.055 -11.640 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.230 5.260 -12.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.103 2.987 -9.962 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.318 3.202 -13.489 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.012 0.927 -10.738 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.696 1.031 -12.509 1.00 0.00 H new ATOM 602 N ASP A 54 -0.096 8.826 -10.005 1.00 0.00 N ATOM 603 CA ASP A 54 -0.381 10.130 -9.433 1.00 0.00 C ATOM 604 C ASP A 54 -1.865 10.410 -9.192 1.00 0.00 C ATOM 605 O ASP A 54 -2.215 11.300 -8.415 1.00 0.00 O ATOM 606 CB ASP A 54 0.186 11.164 -10.386 1.00 0.00 C ATOM 607 CG ASP A 54 1.644 10.916 -10.706 1.00 0.00 C ATOM 608 OD1 ASP A 54 2.518 11.433 -9.979 1.00 0.00 O ATOM 609 OD2 ASP A 54 1.926 10.188 -11.684 1.00 0.00 O ATOM 0 H ASP A 54 0.405 8.887 -10.891 1.00 0.00 H new ATOM 0 HA ASP A 54 0.076 10.168 -8.444 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.392 11.158 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.077 12.156 -9.948 1.00 0.00 H new ATOM 614 N ASN A 55 -2.723 9.663 -9.849 1.00 0.00 N ATOM 615 CA ASN A 55 -4.156 9.905 -9.800 1.00 0.00 C ATOM 616 C ASN A 55 -4.831 8.908 -8.884 1.00 0.00 C ATOM 617 O ASN A 55 -6.057 8.861 -8.793 1.00 0.00 O ATOM 618 CB ASN A 55 -4.773 9.828 -11.200 1.00 0.00 C ATOM 619 CG ASN A 55 -4.438 11.036 -12.050 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.175 12.023 -12.066 1.00 0.00 O ATOM 621 ND2 ASN A 55 -3.328 10.969 -12.761 1.00 0.00 N ATOM 0 H ASN A 55 -2.453 8.871 -10.432 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.313 10.910 -9.407 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.419 8.927 -11.700 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.856 9.739 -11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.053 11.753 -13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.745 10.133 -12.719 1.00 0.00 H new ATOM 628 N THR A 56 -4.032 8.103 -8.211 1.00 0.00 N ATOM 629 CA THR A 56 -4.565 7.068 -7.357 1.00 0.00 C ATOM 630 C THR A 56 -4.460 7.527 -5.928 1.00 0.00 C ATOM 631 O THR A 56 -3.556 8.291 -5.622 1.00 0.00 O ATOM 632 CB THR A 56 -3.784 5.760 -7.532 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.527 5.845 -6.854 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.533 5.497 -8.999 1.00 0.00 C ATOM 0 H THR A 56 -3.013 8.148 -8.241 1.00 0.00 H new ATOM 0 HA THR A 56 -5.605 6.883 -7.625 1.00 0.00 H new ATOM 0 HB THR A 56 -4.374 4.946 -7.110 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.943 6.475 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.978 4.566 -9.112 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.486 5.417 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.954 6.318 -9.422 1.00 0.00 H new ATOM 642 N PRO A 57 -5.343 7.076 -5.030 1.00 0.00 N ATOM 643 CA PRO A 57 -5.385 7.584 -3.658 1.00 0.00 C ATOM 644 C PRO A 57 -4.000 7.592 -3.014 1.00 0.00 C ATOM 645 O PRO A 57 -3.626 8.540 -2.317 1.00 0.00 O ATOM 646 CB PRO A 57 -6.299 6.590 -2.929 1.00 0.00 C ATOM 647 CG PRO A 57 -6.484 5.444 -3.871 1.00 0.00 C ATOM 648 CD PRO A 57 -6.333 6.014 -5.247 1.00 0.00 C ATOM 0 HA PRO A 57 -5.739 8.614 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.849 6.259 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.255 7.049 -2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.744 4.665 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.466 4.988 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.982 5.269 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.274 6.406 -5.632 1.00 0.00 H new ATOM 656 N ALA A 58 -3.243 6.533 -3.291 1.00 0.00 N ATOM 657 CA ALA A 58 -1.882 6.382 -2.790 1.00 0.00 C ATOM 658 C ALA A 58 -0.995 7.563 -3.177 1.00 0.00 C ATOM 659 O ALA A 58 -0.376 8.178 -2.315 1.00 0.00 O ATOM 660 CB ALA A 58 -1.275 5.086 -3.295 1.00 0.00 C ATOM 0 H ALA A 58 -3.558 5.755 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.938 6.355 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.259 4.987 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.876 4.244 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.254 5.095 -4.385 1.00 0.00 H new ATOM 666 N ALA A 59 -0.924 7.886 -4.465 1.00 0.00 N ATOM 667 CA ALA A 59 -0.120 9.029 -4.895 1.00 0.00 C ATOM 668 C ALA A 59 -0.845 10.327 -4.589 1.00 0.00 C ATOM 669 O ALA A 59 -0.305 11.230 -3.951 1.00 0.00 O ATOM 670 CB ALA A 59 0.165 8.956 -6.377 1.00 0.00 C ATOM 0 H ALA A 59 -1.401 7.386 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 59 0.823 9.001 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.764 9.816 -6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.711 8.039 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.775 8.960 -6.929 1.00 0.00 H new ATOM 676 N LEU A 60 -2.077 10.378 -5.068 1.00 0.00 N ATOM 677 CA LEU A 60 -2.958 11.533 -4.968 1.00 0.00 C ATOM 678 C LEU A 60 -2.937 12.169 -3.572 1.00 0.00 C ATOM 679 O LEU A 60 -2.346 13.231 -3.377 1.00 0.00 O ATOM 680 CB LEU A 60 -4.365 11.022 -5.300 1.00 0.00 C ATOM 681 CG LEU A 60 -5.419 12.033 -5.754 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.721 13.063 -4.676 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.983 12.706 -7.044 1.00 0.00 C ATOM 0 H LEU A 60 -2.507 9.591 -5.554 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.630 12.314 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.269 10.269 -6.083 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.751 10.515 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.344 11.487 -5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.474 13.761 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.095 12.558 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.810 13.609 -4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.743 13.423 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.039 13.226 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.854 11.953 -7.822 1.00 0.00 H new ATOM 695 N ASP A 61 -3.585 11.522 -2.615 1.00 0.00 N ATOM 696 CA ASP A 61 -3.678 12.063 -1.262 1.00 0.00 C ATOM 697 C ASP A 61 -2.616 11.470 -0.346 1.00 0.00 C ATOM 698 O ASP A 61 -2.121 12.131 0.565 1.00 0.00 O ATOM 699 CB ASP A 61 -5.076 11.817 -0.688 1.00 0.00 C ATOM 700 CG ASP A 61 -5.280 12.481 0.663 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.991 13.689 0.785 1.00 0.00 O ATOM 702 OD2 ASP A 61 -5.762 11.810 1.600 1.00 0.00 O ATOM 0 H ASP A 61 -4.053 10.625 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.501 13.137 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.823 12.191 -1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.240 10.744 -0.589 1.00 0.00 H new ATOM 707 N GLY A 62 -2.263 10.220 -0.607 1.00 0.00 N ATOM 708 CA GLY A 62 -1.468 9.454 0.341 1.00 0.00 C ATOM 709 C GLY A 62 -0.016 9.873 0.427 1.00 0.00 C ATOM 710 O GLY A 62 0.562 9.872 1.510 1.00 0.00 O ATOM 0 H GLY A 62 -2.512 9.718 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.918 9.545 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.513 8.400 0.065 1.00 0.00 H new ATOM 714 N THR A 63 0.564 10.198 -0.721 1.00 0.00 N ATOM 715 CA THR A 63 1.976 10.580 -0.845 1.00 0.00 C ATOM 716 C THR A 63 2.888 9.415 -0.482 1.00 0.00 C ATOM 717 O THR A 63 4.061 9.584 -0.149 1.00 0.00 O ATOM 718 CB THR A 63 2.338 11.843 -0.027 1.00 0.00 C ATOM 719 OG1 THR A 63 2.417 11.563 1.378 1.00 0.00 O ATOM 720 CG2 THR A 63 1.289 12.906 -0.268 1.00 0.00 C ATOM 0 H THR A 63 0.064 10.206 -1.610 1.00 0.00 H new ATOM 0 HA THR A 63 2.135 10.837 -1.892 1.00 0.00 H new ATOM 0 HB THR A 63 3.318 12.190 -0.354 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.001 10.695 1.562 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.538 13.799 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.258 13.153 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.314 12.533 0.046 1.00 0.00 H new ATOM 728 N VAL A 64 2.316 8.231 -0.575 1.00 0.00 N ATOM 729 CA VAL A 64 3.035 6.978 -0.343 1.00 0.00 C ATOM 730 C VAL A 64 3.682 6.480 -1.607 1.00 0.00 C ATOM 731 O VAL A 64 3.444 5.369 -2.080 1.00 0.00 O ATOM 732 CB VAL A 64 2.165 5.896 0.287 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.018 6.240 1.736 1.00 0.00 C ATOM 734 CG2 VAL A 64 0.807 5.797 -0.388 1.00 0.00 C ATOM 0 H VAL A 64 1.333 8.102 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 64 3.817 7.206 0.381 1.00 0.00 H new ATOM 0 HB VAL A 64 2.635 4.920 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.400 5.489 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.001 6.265 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.545 7.218 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.219 5.014 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.285 6.750 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.942 5.556 -1.442 1.00 0.00 H new ATOM 744 N ALA A 65 4.491 7.346 -2.149 1.00 0.00 N ATOM 745 CA ALA A 65 5.027 7.166 -3.481 1.00 0.00 C ATOM 746 C ALA A 65 6.277 6.289 -3.502 1.00 0.00 C ATOM 747 O ALA A 65 6.751 5.804 -2.466 1.00 0.00 O ATOM 748 CB ALA A 65 5.317 8.517 -4.111 1.00 0.00 C ATOM 0 H ALA A 65 4.802 8.199 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 65 4.269 6.644 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.720 8.372 -5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.395 9.096 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.044 9.054 -3.502 1.00 0.00 H new ATOM 754 N ALA A 66 6.799 6.106 -4.705 1.00 0.00 N ATOM 755 CA ALA A 66 7.887 5.182 -4.961 1.00 0.00 C ATOM 756 C ALA A 66 9.124 5.483 -4.124 1.00 0.00 C ATOM 757 O ALA A 66 9.491 6.646 -3.922 1.00 0.00 O ATOM 758 CB ALA A 66 8.229 5.215 -6.438 1.00 0.00 C ATOM 0 H ALA A 66 6.475 6.600 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 66 7.553 4.185 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.047 4.522 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.355 4.923 -7.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.531 6.224 -6.719 1.00 0.00 H new ATOM 764 N GLY A 67 9.755 4.431 -3.631 1.00 0.00 N ATOM 765 CA GLY A 67 11.012 4.586 -2.941 1.00 0.00 C ATOM 766 C GLY A 67 10.924 4.308 -1.458 1.00 0.00 C ATOM 767 O GLY A 67 11.952 4.232 -0.782 1.00 0.00 O ATOM 0 H GLY A 67 9.417 3.471 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.747 3.915 -3.386 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.377 5.602 -3.091 1.00 0.00 H new ATOM 771 N ASP A 68 9.715 4.153 -0.931 1.00 0.00 N ATOM 772 CA ASP A 68 9.576 3.884 0.494 1.00 0.00 C ATOM 773 C ASP A 68 9.424 2.392 0.744 1.00 0.00 C ATOM 774 O ASP A 68 9.334 1.606 -0.203 1.00 0.00 O ATOM 775 CB ASP A 68 8.392 4.635 1.095 1.00 0.00 C ATOM 776 CG ASP A 68 8.717 5.141 2.484 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.578 4.374 3.457 1.00 0.00 O ATOM 778 OD2 ASP A 68 9.139 6.311 2.611 1.00 0.00 O ATOM 0 H ASP A 68 8.840 4.207 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 68 10.484 4.238 0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.125 5.474 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.524 3.977 1.138 1.00 0.00 H new ATOM 783 N GLU A 69 9.395 2.002 2.011 1.00 0.00 N ATOM 784 CA GLU A 69 9.294 0.599 2.362 1.00 0.00 C ATOM 785 C GLU A 69 8.078 0.360 3.246 1.00 0.00 C ATOM 786 O GLU A 69 8.125 0.534 4.468 1.00 0.00 O ATOM 787 CB GLU A 69 10.580 0.114 3.037 1.00 0.00 C ATOM 788 CG GLU A 69 10.680 -1.400 3.123 1.00 0.00 C ATOM 789 CD GLU A 69 12.061 -1.873 3.523 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.999 -1.755 2.700 1.00 0.00 O ATOM 791 OE2 GLU A 69 12.212 -2.385 4.648 1.00 0.00 O ATOM 0 H GLU A 69 9.440 2.637 2.808 1.00 0.00 H new ATOM 0 HA GLU A 69 9.164 0.020 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.438 0.497 2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.635 0.532 4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.951 -1.768 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.418 -1.833 2.158 1.00 0.00 H new ATOM 798 N ILE A 70 6.983 -0.029 2.610 1.00 0.00 N ATOM 799 CA ILE A 70 5.727 -0.265 3.307 1.00 0.00 C ATOM 800 C ILE A 70 5.848 -1.518 4.169 1.00 0.00 C ATOM 801 O ILE A 70 6.003 -2.620 3.648 1.00 0.00 O ATOM 802 CB ILE A 70 4.551 -0.442 2.319 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.652 0.550 1.151 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.220 -0.283 3.042 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.660 2.004 1.568 1.00 0.00 C ATOM 0 H ILE A 70 6.939 -0.189 1.604 1.00 0.00 H new ATOM 0 HA ILE A 70 5.523 0.606 3.929 1.00 0.00 H new ATOM 0 HB ILE A 70 4.606 -1.450 1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.562 0.340 0.589 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.814 0.383 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.403 -0.411 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.140 -1.035 3.827 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.163 0.711 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.734 2.636 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.738 2.234 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.514 2.191 2.219 1.00 0.00 H new ATOM 817 N THR A 71 5.784 -1.350 5.481 1.00 0.00 N ATOM 818 CA THR A 71 6.025 -2.457 6.395 1.00 0.00 C ATOM 819 C THR A 71 4.755 -3.248 6.698 1.00 0.00 C ATOM 820 O THR A 71 4.801 -4.472 6.862 1.00 0.00 O ATOM 821 CB THR A 71 6.653 -1.969 7.720 1.00 0.00 C ATOM 822 OG1 THR A 71 6.833 -3.069 8.620 1.00 0.00 O ATOM 823 CG2 THR A 71 5.794 -0.902 8.383 1.00 0.00 C ATOM 0 H THR A 71 5.568 -0.463 5.935 1.00 0.00 H new ATOM 0 HA THR A 71 6.726 -3.119 5.887 1.00 0.00 H new ATOM 0 HB THR A 71 7.622 -1.530 7.483 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.233 -2.747 9.455 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.265 -0.581 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.694 -0.048 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.807 -1.312 8.599 1.00 0.00 H new ATOM 831 N GLY A 72 3.622 -2.567 6.763 1.00 0.00 N ATOM 832 CA GLY A 72 2.408 -3.239 7.158 1.00 0.00 C ATOM 833 C GLY A 72 1.165 -2.640 6.550 1.00 0.00 C ATOM 834 O GLY A 72 1.141 -1.465 6.172 1.00 0.00 O ATOM 0 H GLY A 72 3.523 -1.574 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.473 -4.289 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.322 -3.209 8.244 1.00 0.00 H new ATOM 838 N VAL A 73 0.134 -3.463 6.476 1.00 0.00 N ATOM 839 CA VAL A 73 -1.129 -3.113 5.892 1.00 0.00 C ATOM 840 C VAL A 73 -2.234 -3.510 6.856 1.00 0.00 C ATOM 841 O VAL A 73 -2.239 -4.638 7.344 1.00 0.00 O ATOM 842 CB VAL A 73 -1.319 -3.876 4.563 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.496 -5.155 4.577 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.768 -4.234 4.364 1.00 0.00 C ATOM 0 H VAL A 73 0.163 -4.418 6.833 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.161 -2.041 5.698 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.990 -3.231 3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.635 -5.688 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.558 -4.908 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.820 -5.787 5.403 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.884 -4.771 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.103 -4.866 5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.367 -3.324 4.339 1.00 0.00 H new ATOM 854 N ASN A 74 -3.144 -2.594 7.156 1.00 0.00 N ATOM 855 CA ASN A 74 -4.296 -2.917 7.997 1.00 0.00 C ATOM 856 C ASN A 74 -3.823 -3.404 9.371 1.00 0.00 C ATOM 857 O ASN A 74 -4.499 -4.173 10.050 1.00 0.00 O ATOM 858 CB ASN A 74 -5.154 -3.985 7.296 1.00 0.00 C ATOM 859 CG ASN A 74 -6.551 -4.118 7.849 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.806 -4.892 8.772 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.472 -3.386 7.266 1.00 0.00 N ATOM 0 H ASN A 74 -3.111 -1.627 6.834 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.904 -2.025 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.217 -3.745 6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.651 -4.949 7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.442 -3.446 7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.217 -2.757 6.504 1.00 0.00 H new ATOM 868 N GLY A 75 -2.631 -2.957 9.757 1.00 0.00 N ATOM 869 CA GLY A 75 -2.063 -3.327 11.036 1.00 0.00 C ATOM 870 C GLY A 75 -1.132 -4.526 10.955 1.00 0.00 C ATOM 871 O GLY A 75 -0.301 -4.727 11.841 1.00 0.00 O ATOM 0 H GLY A 75 -2.045 -2.338 9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.515 -2.477 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.870 -3.549 11.734 1.00 0.00 H new ATOM 875 N ARG A 76 -1.258 -5.320 9.896 1.00 0.00 N ATOM 876 CA ARG A 76 -0.525 -6.552 9.767 1.00 0.00 C ATOM 877 C ARG A 76 0.577 -6.447 8.714 1.00 0.00 C ATOM 878 O ARG A 76 0.362 -5.923 7.623 1.00 0.00 O ATOM 879 CB ARG A 76 -1.525 -7.642 9.414 1.00 0.00 C ATOM 880 CG ARG A 76 -2.832 -7.117 8.839 1.00 0.00 C ATOM 881 CD ARG A 76 -3.945 -8.149 8.910 1.00 0.00 C ATOM 882 NE ARG A 76 -5.259 -7.537 8.694 1.00 0.00 N ATOM 883 CZ ARG A 76 -6.389 -8.220 8.512 1.00 0.00 C ATOM 884 NH1 ARG A 76 -6.376 -9.543 8.480 1.00 0.00 N ATOM 885 NH2 ARG A 76 -7.537 -7.569 8.370 1.00 0.00 N ATOM 0 H ARG A 76 -1.874 -5.118 9.109 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.022 -6.787 10.705 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.069 -8.320 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.742 -8.226 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.133 -6.222 9.384 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.678 -6.822 7.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.775 -8.922 8.160 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.926 -8.639 9.883 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.312 -6.518 8.682 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.497 -10.047 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.245 -10.058 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.552 -6.550 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.404 -8.088 8.231 1.00 0.00 H new ATOM 899 N SER A 77 1.759 -6.950 9.059 1.00 0.00 N ATOM 900 CA SER A 77 2.923 -6.896 8.180 1.00 0.00 C ATOM 901 C SER A 77 2.694 -7.695 6.900 1.00 0.00 C ATOM 902 O SER A 77 1.995 -8.710 6.896 1.00 0.00 O ATOM 903 CB SER A 77 4.143 -7.443 8.921 1.00 0.00 C ATOM 904 OG SER A 77 4.338 -6.762 10.152 1.00 0.00 O ATOM 0 H SER A 77 1.937 -7.406 9.954 1.00 0.00 H new ATOM 0 HA SER A 77 3.092 -5.857 7.899 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.012 -8.509 9.108 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.030 -7.335 8.297 1.00 0.00 H new ATOM 0 HG SER A 77 5.123 -7.130 10.609 1.00 0.00 H new ATOM 910 N ILE A 78 3.304 -7.230 5.818 1.00 0.00 N ATOM 911 CA ILE A 78 3.189 -7.893 4.521 1.00 0.00 C ATOM 912 C ILE A 78 4.330 -8.859 4.344 1.00 0.00 C ATOM 913 O ILE A 78 4.264 -9.844 3.612 1.00 0.00 O ATOM 914 CB ILE A 78 3.212 -6.908 3.340 1.00 0.00 C ATOM 915 CG1 ILE A 78 3.930 -5.589 3.668 1.00 0.00 C ATOM 916 CG2 ILE A 78 1.806 -6.625 2.927 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.410 -5.714 3.953 1.00 0.00 C ATOM 0 H ILE A 78 3.886 -6.393 5.811 1.00 0.00 H new ATOM 0 HA ILE A 78 2.226 -8.404 4.519 1.00 0.00 H new ATOM 0 HB ILE A 78 3.774 -7.375 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.794 -4.903 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.447 -5.137 4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.806 -5.927 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.321 -7.554 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.262 -6.187 3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.823 -4.729 4.173 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.561 -6.370 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.914 -6.133 3.082 1.00 0.00 H new ATOM 929 N LYS A 79 5.375 -8.521 5.047 1.00 0.00 N ATOM 930 CA LYS A 79 6.630 -9.246 5.048 1.00 0.00 C ATOM 931 C LYS A 79 6.404 -10.702 5.472 1.00 0.00 C ATOM 932 O LYS A 79 7.163 -11.597 5.106 1.00 0.00 O ATOM 933 CB LYS A 79 7.573 -8.525 6.020 1.00 0.00 C ATOM 934 CG LYS A 79 9.066 -8.546 5.666 1.00 0.00 C ATOM 935 CD LYS A 79 9.646 -9.947 5.512 1.00 0.00 C ATOM 936 CE LYS A 79 9.656 -10.392 4.055 1.00 0.00 C ATOM 937 NZ LYS A 79 10.216 -11.758 3.893 1.00 0.00 N ATOM 0 H LYS A 79 5.384 -7.705 5.659 1.00 0.00 H new ATOM 0 HA LYS A 79 7.068 -9.269 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.255 -7.485 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.450 -8.969 7.008 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.216 -7.997 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.620 -8.017 6.441 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.662 -9.966 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.061 -10.651 6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.640 -10.368 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.243 -9.688 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.204 -12.021 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.195 -11.776 4.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.642 -12.435 4.435 1.00 0.00 H new ATOM 951 N GLY A 80 5.331 -10.932 6.214 1.00 0.00 N ATOM 952 CA GLY A 80 5.044 -12.257 6.713 1.00 0.00 C ATOM 953 C GLY A 80 4.582 -13.227 5.637 1.00 0.00 C ATOM 954 O GLY A 80 4.626 -14.442 5.843 1.00 0.00 O ATOM 0 H GLY A 80 4.652 -10.219 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.938 -12.657 7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.275 -12.188 7.482 1.00 0.00 H new ATOM 958 N LYS A 81 4.147 -12.722 4.482 1.00 0.00 N ATOM 959 CA LYS A 81 3.617 -13.613 3.454 1.00 0.00 C ATOM 960 C LYS A 81 4.260 -13.361 2.086 1.00 0.00 C ATOM 961 O LYS A 81 5.482 -13.217 1.990 1.00 0.00 O ATOM 962 CB LYS A 81 2.075 -13.554 3.381 1.00 0.00 C ATOM 963 CG LYS A 81 1.473 -12.186 3.077 1.00 0.00 C ATOM 964 CD LYS A 81 1.580 -11.220 4.246 1.00 0.00 C ATOM 965 CE LYS A 81 0.834 -11.712 5.481 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.627 -11.857 5.246 1.00 0.00 N ATOM 0 H LYS A 81 4.150 -11.731 4.240 1.00 0.00 H new ATOM 0 HA LYS A 81 3.886 -14.627 3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.740 -14.255 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.672 -13.903 4.332 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.977 -11.757 2.211 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.424 -12.308 2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.631 -11.072 4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.183 -10.249 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.246 -12.673 5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.999 -11.015 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.149 -11.480 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -0.895 -11.330 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.860 -12.863 5.121 1.00 0.00 H new ATOM 980 N THR A 82 3.449 -13.306 1.036 1.00 0.00 N ATOM 981 CA THR A 82 3.963 -13.293 -0.329 1.00 0.00 C ATOM 982 C THR A 82 3.237 -12.257 -1.170 1.00 0.00 C ATOM 983 O THR A 82 2.186 -11.764 -0.770 1.00 0.00 O ATOM 984 CB THR A 82 3.816 -14.671 -1.007 1.00 0.00 C ATOM 985 OG1 THR A 82 2.445 -15.079 -0.982 1.00 0.00 O ATOM 986 CG2 THR A 82 4.677 -15.726 -0.326 1.00 0.00 C ATOM 0 H THR A 82 2.432 -13.270 1.103 1.00 0.00 H new ATOM 0 HA THR A 82 5.022 -13.041 -0.264 1.00 0.00 H new ATOM 0 HB THR A 82 4.155 -14.574 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.270 -15.588 -0.163 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.547 -16.683 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.724 -15.429 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.377 -15.823 0.717 1.00 0.00 H new ATOM 994 N LYS A 83 3.799 -11.953 -2.332 1.00 0.00 N ATOM 995 CA LYS A 83 3.267 -10.929 -3.230 1.00 0.00 C ATOM 996 C LYS A 83 1.776 -11.100 -3.465 1.00 0.00 C ATOM 997 O LYS A 83 0.976 -10.201 -3.206 1.00 0.00 O ATOM 998 CB LYS A 83 3.987 -11.007 -4.572 1.00 0.00 C ATOM 999 CG LYS A 83 5.369 -11.570 -4.458 1.00 0.00 C ATOM 1000 CD LYS A 83 6.227 -11.125 -5.619 1.00 0.00 C ATOM 1001 CE LYS A 83 7.614 -11.699 -5.514 1.00 0.00 C ATOM 1002 NZ LYS A 83 8.474 -11.256 -6.635 1.00 0.00 N ATOM 0 H LYS A 83 4.641 -12.410 -2.683 1.00 0.00 H new ATOM 0 HA LYS A 83 3.430 -9.960 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.404 -11.623 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.041 -10.010 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.822 -11.247 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.322 -12.659 -4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.769 -11.440 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.280 -10.037 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.063 -11.396 -4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.558 -12.788 -5.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.422 -11.671 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.058 -11.567 -7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.547 -10.219 -6.627 1.00 0.00 H new ATOM 1016 N VAL A 84 1.414 -12.259 -3.958 1.00 0.00 N ATOM 1017 CA VAL A 84 0.042 -12.553 -4.281 1.00 0.00 C ATOM 1018 C VAL A 84 -0.885 -12.341 -3.078 1.00 0.00 C ATOM 1019 O VAL A 84 -1.984 -11.799 -3.217 1.00 0.00 O ATOM 1020 CB VAL A 84 -0.071 -13.990 -4.817 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.472 -14.996 -3.817 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.497 -14.302 -5.159 1.00 0.00 C ATOM 0 H VAL A 84 2.062 -13.024 -4.146 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.281 -11.858 -5.056 1.00 0.00 H new ATOM 0 HB VAL A 84 0.533 -14.064 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.378 -16.002 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.522 -14.782 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.094 -14.927 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.566 -15.322 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.115 -14.204 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.849 -13.607 -5.922 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.423 -12.728 -1.896 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.210 -12.584 -0.685 1.00 0.00 C ATOM 1034 C GLU A 85 -1.252 -11.139 -0.203 1.00 0.00 C ATOM 1035 O GLU A 85 -2.283 -10.680 0.275 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.644 -13.478 0.416 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.520 -14.934 0.008 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.006 -15.813 1.129 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -0.825 -16.277 1.952 1.00 0.00 O ATOM 1040 OE2 GLU A 85 1.219 -16.053 1.189 1.00 0.00 O ATOM 0 H GLU A 85 0.497 -13.145 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.230 -12.888 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.338 -13.105 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.285 -13.408 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.494 -15.300 -0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.152 -15.012 -0.847 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.142 -10.421 -0.329 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.068 -9.053 0.181 1.00 0.00 C ATOM 1049 C VAL A 86 -0.987 -8.111 -0.598 1.00 0.00 C ATOM 1050 O VAL A 86 -1.715 -7.314 -0.004 1.00 0.00 O ATOM 1051 CB VAL A 86 1.379 -8.501 0.202 1.00 0.00 C ATOM 1052 CG1 VAL A 86 2.272 -9.372 1.065 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.983 -8.378 -1.176 1.00 0.00 C ATOM 0 H VAL A 86 0.712 -10.757 -0.775 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.414 -9.098 1.214 1.00 0.00 H new ATOM 0 HB VAL A 86 1.315 -7.498 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.284 -8.967 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.887 -9.390 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.288 -10.386 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.997 -7.986 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.010 -9.359 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.379 -7.700 -1.779 1.00 0.00 H new ATOM 1063 N ALA A 87 -0.956 -8.217 -1.919 1.00 0.00 N ATOM 1064 CA ALA A 87 -1.898 -7.497 -2.775 1.00 0.00 C ATOM 1065 C ALA A 87 -3.325 -7.893 -2.421 1.00 0.00 C ATOM 1066 O ALA A 87 -4.206 -7.041 -2.310 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.621 -7.797 -4.238 1.00 0.00 C ATOM 0 H ALA A 87 -0.287 -8.796 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.773 -6.427 -2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.331 -7.253 -4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.606 -7.486 -4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.727 -8.867 -4.416 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.534 -9.194 -2.214 1.00 0.00 N ATOM 1074 CA LYS A 88 -4.851 -9.718 -1.877 1.00 0.00 C ATOM 1075 C LYS A 88 -5.353 -9.140 -0.564 1.00 0.00 C ATOM 1076 O LYS A 88 -6.505 -8.749 -0.461 1.00 0.00 O ATOM 1077 CB LYS A 88 -4.801 -11.235 -1.771 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.106 -11.852 -1.325 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.103 -13.344 -1.571 1.00 0.00 C ATOM 1080 CE LYS A 88 -7.378 -14.007 -1.076 1.00 0.00 C ATOM 1081 NZ LYS A 88 -7.510 -13.940 0.404 1.00 0.00 N ATOM 0 H LYS A 88 -2.803 -9.903 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.538 -9.427 -2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.525 -11.650 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.017 -11.516 -1.069 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.264 -11.653 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -6.935 -11.391 -1.863 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.986 -13.535 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.244 -13.792 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.239 -13.524 -1.538 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.390 -15.050 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.904 -14.835 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.574 -13.782 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.144 -13.156 0.661 1.00 0.00 H new ATOM 1095 N MET A 89 -4.485 -9.115 0.438 1.00 0.00 N ATOM 1096 CA MET A 89 -4.803 -8.521 1.727 1.00 0.00 C ATOM 1097 C MET A 89 -5.343 -7.111 1.570 1.00 0.00 C ATOM 1098 O MET A 89 -6.313 -6.722 2.221 1.00 0.00 O ATOM 1099 CB MET A 89 -3.575 -8.516 2.595 1.00 0.00 C ATOM 1100 CG MET A 89 -3.215 -9.906 3.045 1.00 0.00 C ATOM 1101 SD MET A 89 -4.483 -10.647 4.091 1.00 0.00 S ATOM 1102 CE MET A 89 -4.569 -9.449 5.420 1.00 0.00 C ATOM 0 H MET A 89 -3.544 -9.505 0.380 1.00 0.00 H new ATOM 0 HA MET A 89 -5.581 -9.121 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 89 -2.740 -8.083 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 89 -3.746 -7.883 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.056 -10.537 2.171 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.272 -9.874 3.591 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.818 -9.957 6.352 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.605 -8.951 5.524 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.336 -8.709 5.194 1.00 0.00 H new ATOM 1112 N ILE A 90 -4.713 -6.358 0.685 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.150 -5.013 0.381 1.00 0.00 C ATOM 1114 C ILE A 90 -6.524 -5.032 -0.287 1.00 0.00 C ATOM 1115 O ILE A 90 -7.421 -4.299 0.123 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.099 -4.285 -0.493 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -2.856 -4.016 0.361 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.656 -2.992 -1.081 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.646 -3.570 -0.425 1.00 0.00 C ATOM 0 H ILE A 90 -3.891 -6.661 0.163 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.246 -4.457 1.313 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.832 -4.920 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.096 -3.252 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.604 -4.923 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.890 -2.509 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.522 -3.218 -1.702 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.954 -2.324 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.812 -3.402 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.376 -4.341 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.876 -2.644 -0.953 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.699 -5.901 -1.278 1.00 0.00 N ATOM 1132 CA GLN A 91 -7.977 -6.038 -1.968 1.00 0.00 C ATOM 1133 C GLN A 91 -9.080 -6.452 -0.998 1.00 0.00 C ATOM 1134 O GLN A 91 -10.162 -5.864 -0.976 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.881 -7.107 -3.056 1.00 0.00 C ATOM 1136 CG GLN A 91 -6.667 -6.983 -3.954 1.00 0.00 C ATOM 1137 CD GLN A 91 -6.537 -8.141 -4.923 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.951 -9.262 -4.631 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -5.953 -7.882 -6.081 1.00 0.00 N ATOM 0 H GLN A 91 -5.968 -6.523 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.216 -5.069 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.868 -8.089 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.779 -7.062 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.728 -6.050 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.769 -6.927 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -5.623 -6.939 -6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.833 -8.625 -6.769 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.761 -7.451 -0.184 1.00 0.00 N ATOM 1149 CA GLU A 92 -9.734 -8.168 0.628 1.00 0.00 C ATOM 1150 C GLU A 92 -10.433 -7.266 1.628 1.00 0.00 C ATOM 1151 O GLU A 92 -11.662 -7.267 1.724 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.038 -9.317 1.357 1.00 0.00 C ATOM 1153 CG GLU A 92 -9.955 -10.090 2.284 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.368 -11.418 2.707 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -9.152 -12.283 1.830 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.140 -11.614 3.918 1.00 0.00 O ATOM 0 H GLU A 92 -7.806 -7.790 -0.068 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.502 -8.556 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.618 -10.002 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.204 -8.918 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.161 -9.489 3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.909 -10.261 1.786 1.00 0.00 H new ATOM 1163 N VAL A 93 -9.642 -6.521 2.385 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.186 -5.598 3.379 1.00 0.00 C ATOM 1165 C VAL A 93 -11.215 -4.663 2.743 1.00 0.00 C ATOM 1166 O VAL A 93 -12.192 -4.298 3.389 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.078 -4.784 4.094 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.035 -5.720 4.684 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -8.422 -3.767 3.171 1.00 0.00 C ATOM 0 H VAL A 93 -8.623 -6.535 2.333 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.682 -6.203 4.139 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.554 -4.224 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.262 -5.135 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.510 -6.385 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.584 -6.311 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.653 -3.222 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.969 -4.283 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.174 -3.067 2.808 1.00 0.00 H new ATOM 1179 N LYS A 94 -10.997 -4.319 1.465 1.00 0.00 N ATOM 1180 CA LYS A 94 -11.977 -3.589 0.644 1.00 0.00 C ATOM 1181 C LYS A 94 -12.320 -2.194 1.187 1.00 0.00 C ATOM 1182 O LYS A 94 -12.471 -1.983 2.389 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.259 -4.419 0.511 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.296 -3.811 -0.423 1.00 0.00 C ATOM 1185 CD LYS A 94 -15.637 -4.521 -0.311 1.00 0.00 C ATOM 1186 CE LYS A 94 -15.541 -5.994 -0.684 1.00 0.00 C ATOM 1187 NZ LYS A 94 -15.181 -6.196 -2.112 1.00 0.00 N ATOM 0 H LYS A 94 -10.133 -4.540 0.969 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.512 -3.437 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -12.999 -5.414 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -13.703 -4.544 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.423 -2.754 -0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.938 -3.868 -1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.010 -4.430 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.362 -4.030 -0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.796 -6.478 -0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.495 -6.480 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.211 -7.211 -2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.858 -5.687 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.222 -5.832 -2.283 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.410 -1.225 0.289 1.00 0.00 N ATOM 1202 CA GLY A 95 -12.984 0.050 0.651 1.00 0.00 C ATOM 1203 C GLY A 95 -11.945 1.063 1.053 1.00 0.00 C ATOM 1204 O GLY A 95 -11.895 2.157 0.497 1.00 0.00 O ATOM 0 H GLY A 95 -12.097 -1.299 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.557 0.438 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.684 -0.092 1.474 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.077 0.691 1.975 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.126 1.620 2.510 1.00 0.00 C ATOM 1210 C GLU A 96 -8.754 0.978 2.547 1.00 0.00 C ATOM 1211 O GLU A 96 -8.597 -0.191 2.174 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.522 2.080 3.908 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.378 0.989 4.941 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.560 1.486 6.358 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -9.559 1.904 6.978 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -11.704 1.450 6.863 1.00 0.00 O ATOM 0 H GLU A 96 -11.019 -0.251 2.363 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.106 2.497 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.904 2.931 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.555 2.427 3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.110 0.207 4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.392 0.534 4.846 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.775 1.738 2.996 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.398 1.267 3.100 1.00 0.00 C ATOM 1225 C VAL A 97 -5.695 1.979 4.248 1.00 0.00 C ATOM 1226 O VAL A 97 -5.997 3.134 4.553 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.569 1.497 1.804 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.282 0.958 0.581 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.239 2.967 1.609 1.00 0.00 C ATOM 0 H VAL A 97 -7.907 2.702 3.301 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.456 0.192 3.272 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.636 0.947 1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.672 1.137 -0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.446 -0.113 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.242 1.462 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.659 3.092 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.163 3.540 1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.658 3.325 2.459 1.00 0.00 H new ATOM 1239 N THR A 98 -4.768 1.292 4.883 1.00 0.00 N ATOM 1240 CA THR A 98 -3.972 1.884 5.938 1.00 0.00 C ATOM 1241 C THR A 98 -2.499 1.522 5.741 1.00 0.00 C ATOM 1242 O THR A 98 -2.103 0.366 5.910 1.00 0.00 O ATOM 1243 CB THR A 98 -4.463 1.420 7.322 1.00 0.00 C ATOM 1244 OG1 THR A 98 -4.686 0.004 7.311 1.00 0.00 O ATOM 1245 CG2 THR A 98 -5.753 2.124 7.720 1.00 0.00 C ATOM 0 H THR A 98 -4.546 0.316 4.685 1.00 0.00 H new ATOM 0 HA THR A 98 -4.080 2.968 5.891 1.00 0.00 H new ATOM 0 HB THR A 98 -3.692 1.673 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.648 -0.176 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.071 1.773 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.584 3.200 7.757 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.529 1.904 6.987 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.696 2.510 5.366 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.302 2.272 5.010 1.00 0.00 C ATOM 1255 C ILE A 99 0.634 2.669 6.133 1.00 0.00 C ATOM 1256 O ILE A 99 0.583 3.789 6.643 1.00 0.00 O ATOM 1257 CB ILE A 99 0.146 3.002 3.713 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.531 4.371 3.539 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.093 2.126 2.492 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.961 4.310 3.060 1.00 0.00 C ATOM 0 H ILE A 99 -1.987 3.486 5.300 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.242 1.199 4.829 1.00 0.00 H new ATOM 0 HB ILE A 99 1.215 3.189 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.503 4.899 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.050 4.961 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.228 2.656 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.477 1.202 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.155 1.891 2.415 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.357 5.321 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.999 3.814 2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.561 3.750 3.777 1.00 0.00 H new ATOM 1272 N HIS A 100 1.488 1.738 6.520 1.00 0.00 N ATOM 1273 CA HIS A 100 2.479 1.999 7.547 1.00 0.00 C ATOM 1274 C HIS A 100 3.866 2.086 6.928 1.00 0.00 C ATOM 1275 O HIS A 100 4.355 1.117 6.341 1.00 0.00 O ATOM 1276 CB HIS A 100 2.437 0.913 8.630 1.00 0.00 C ATOM 1277 CG HIS A 100 1.215 0.969 9.503 1.00 0.00 C ATOM 1278 ND1 HIS A 100 1.062 0.198 10.632 1.00 0.00 N ATOM 1279 CD2 HIS A 100 0.084 1.709 9.404 1.00 0.00 C ATOM 1280 CE1 HIS A 100 -0.104 0.461 11.188 1.00 0.00 C ATOM 1281 NE2 HIS A 100 -0.719 1.375 10.463 1.00 0.00 N ATOM 0 H HIS A 100 1.514 0.793 6.137 1.00 0.00 H new ATOM 0 HA HIS A 100 2.247 2.955 8.017 1.00 0.00 H new ATOM 0 HB2 HIS A 100 2.485 -0.065 8.152 1.00 0.00 H new ATOM 0 HB3 HIS A 100 3.324 1.005 9.257 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.143 2.430 8.632 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -0.491 0.004 12.087 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -1.640 1.768 10.658 1.00 0.00 H new ATOM 1290 N TYR A 101 4.479 3.258 7.044 1.00 0.00 N ATOM 1291 CA TYR A 101 5.820 3.486 6.521 1.00 0.00 C ATOM 1292 C TYR A 101 6.870 2.810 7.382 1.00 0.00 C ATOM 1293 O TYR A 101 6.603 2.440 8.530 1.00 0.00 O ATOM 1294 CB TYR A 101 6.124 4.983 6.452 1.00 0.00 C ATOM 1295 CG TYR A 101 5.957 5.601 5.080 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.226 4.967 4.082 1.00 0.00 C ATOM 1297 CD2 TYR A 101 6.546 6.823 4.785 1.00 0.00 C ATOM 1298 CE1 TYR A 101 5.088 5.538 2.832 1.00 0.00 C ATOM 1299 CE2 TYR A 101 6.409 7.400 3.538 1.00 0.00 C ATOM 1300 CZ TYR A 101 5.681 6.753 2.565 1.00 0.00 C ATOM 1301 OH TYR A 101 5.546 7.322 1.323 1.00 0.00 O ATOM 0 H TYR A 101 4.064 4.071 7.500 1.00 0.00 H new ATOM 0 HA TYR A 101 5.853 3.058 5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.472 5.505 7.152 1.00 0.00 H new ATOM 0 HB3 TYR A 101 7.148 5.148 6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.760 4.015 4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.122 7.331 5.544 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.517 5.034 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.870 8.353 3.327 1.00 0.00 H new ATOM 0 HH TYR A 101 5.121 8.201 1.410 1.00 0.00 H new ATOM 1311 N ASN A 102 8.050 2.651 6.793 1.00 0.00 N ATOM 1312 CA ASN A 102 9.223 2.105 7.462 1.00 0.00 C ATOM 1313 C ASN A 102 10.409 2.179 6.498 1.00 0.00 C ATOM 1314 O ASN A 102 10.219 2.258 5.289 1.00 0.00 O ATOM 1315 CB ASN A 102 8.952 0.662 7.901 1.00 0.00 C ATOM 1316 CG ASN A 102 10.030 -0.305 7.478 1.00 0.00 C ATOM 1317 OD1 ASN A 102 10.953 -0.563 8.234 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.927 -0.834 6.269 1.00 0.00 N ATOM 0 H ASN A 102 8.220 2.903 5.819 1.00 0.00 H new ATOM 0 HA ASN A 102 9.454 2.683 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.853 0.633 8.986 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.998 0.336 7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.637 -1.486 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.138 -0.589 5.671 1.00 0.00 H new ATOM 1393 N ASP A 107 18.141 -6.013 9.044 1.00 0.00 N ATOM 1394 CA ASP A 107 19.458 -5.462 9.303 1.00 0.00 C ATOM 1395 C ASP A 107 20.436 -6.592 9.075 1.00 0.00 C ATOM 1396 O ASP A 107 20.039 -7.724 9.276 1.00 0.00 O ATOM 1397 CB ASP A 107 19.525 -4.948 10.754 1.00 0.00 C ATOM 1398 CG ASP A 107 20.894 -4.439 11.160 1.00 0.00 C ATOM 1399 OD1 ASP A 107 21.726 -5.251 11.615 1.00 0.00 O ATOM 1400 OD2 ASP A 107 21.141 -3.221 11.029 1.00 0.00 O ATOM 0 HA ASP A 107 19.689 -4.619 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 107 18.798 -4.146 10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 107 19.232 -5.753 11.429 1.00 0.00 H new ATOM 1405 N PRO A 108 21.685 -6.332 8.632 1.00 0.00 N ATOM 1406 CA PRO A 108 22.678 -7.372 8.319 1.00 0.00 C ATOM 1407 C PRO A 108 22.525 -8.656 9.140 1.00 0.00 C ATOM 1408 O PRO A 108 22.464 -9.755 8.584 1.00 0.00 O ATOM 1409 CB PRO A 108 23.972 -6.661 8.684 1.00 0.00 C ATOM 1410 CG PRO A 108 23.741 -5.242 8.282 1.00 0.00 C ATOM 1411 CD PRO A 108 22.249 -4.994 8.370 1.00 0.00 C ATOM 0 HA PRO A 108 22.599 -7.722 7.290 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.183 -6.743 9.750 1.00 0.00 H new ATOM 0 HB3 PRO A 108 24.824 -7.090 8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 108 24.284 -4.562 8.938 1.00 0.00 H new ATOM 0 HG3 PRO A 108 24.102 -5.064 7.269 1.00 0.00 H new ATOM 0 HD2 PRO A 108 22.006 -4.294 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.859 -4.569 7.445 1.00 0.00 H new ATOM 1419 N LYS A 109 22.420 -8.497 10.453 1.00 0.00 N ATOM 1420 CA LYS A 109 22.257 -9.623 11.375 1.00 0.00 C ATOM 1421 C LYS A 109 21.015 -10.460 11.054 1.00 0.00 C ATOM 1422 O LYS A 109 21.073 -11.684 10.994 1.00 0.00 O ATOM 1423 CB LYS A 109 22.143 -9.096 12.806 1.00 0.00 C ATOM 1424 CG LYS A 109 21.022 -8.078 12.985 1.00 0.00 C ATOM 1425 CD LYS A 109 20.895 -7.608 14.424 1.00 0.00 C ATOM 1426 CE LYS A 109 22.097 -6.780 14.849 1.00 0.00 C ATOM 1427 NZ LYS A 109 21.945 -6.258 16.230 1.00 0.00 N ATOM 0 H LYS A 109 22.445 -7.587 10.912 1.00 0.00 H new ATOM 0 HA LYS A 109 23.132 -10.264 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 109 21.975 -9.934 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 109 23.090 -8.639 13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 109 21.207 -7.219 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 109 20.078 -8.520 12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 109 19.987 -7.016 14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 109 20.796 -8.471 15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 109 22.998 -7.390 14.788 1.00 0.00 H new ATOM 0 HE3 LYS A 109 22.228 -5.947 14.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 22.784 -5.699 16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 21.099 -5.656 16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 21.846 -7.053 16.893 1.00 0.00 H new ATOM 1441 N GLN A 110 19.900 -9.783 10.854 1.00 0.00 N ATOM 1442 CA GLN A 110 18.623 -10.416 10.612 1.00 0.00 C ATOM 1443 C GLN A 110 18.447 -10.701 9.131 1.00 0.00 C ATOM 1444 O GLN A 110 17.656 -11.550 8.732 1.00 0.00 O ATOM 1445 CB GLN A 110 17.514 -9.500 11.104 1.00 0.00 C ATOM 1446 CG GLN A 110 17.417 -9.399 12.611 1.00 0.00 C ATOM 1447 CD GLN A 110 17.196 -10.739 13.283 1.00 0.00 C ATOM 1448 OE1 GLN A 110 18.149 -11.432 13.642 1.00 0.00 O ATOM 1449 NE2 GLN A 110 15.940 -11.109 13.467 1.00 0.00 N ATOM 0 H GLN A 110 19.858 -8.764 10.856 1.00 0.00 H new ATOM 0 HA GLN A 110 18.581 -11.363 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.673 -8.503 10.694 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.562 -9.858 10.713 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.332 -8.951 12.999 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.598 -8.729 12.872 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.180 -10.505 13.155 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.732 -11.998 13.921 1.00 0.00 H new ATOM 1458 N LEU A 111 19.219 -9.994 8.332 1.00 0.00 N ATOM 1459 CA LEU A 111 19.117 -10.055 6.893 1.00 0.00 C ATOM 1460 C LEU A 111 19.685 -11.379 6.405 1.00 0.00 C ATOM 1461 O LEU A 111 19.092 -12.045 5.558 1.00 0.00 O ATOM 1462 CB LEU A 111 19.856 -8.844 6.292 1.00 0.00 C ATOM 1463 CG LEU A 111 19.811 -8.684 4.763 1.00 0.00 C ATOM 1464 CD1 LEU A 111 20.785 -9.631 4.078 1.00 0.00 C ATOM 1465 CD2 LEU A 111 18.398 -8.902 4.240 1.00 0.00 C ATOM 0 H LEU A 111 19.940 -9.356 8.668 1.00 0.00 H new ATOM 0 HA LEU A 111 18.077 -10.007 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.443 -7.940 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.901 -8.901 6.596 1.00 0.00 H new ATOM 0 HG LEU A 111 20.114 -7.664 4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 111 20.728 -9.493 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.799 -9.419 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.527 -10.661 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 111 18.389 -8.784 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 111 18.065 -9.907 4.498 1.00 0.00 H new ATOM 0 HD23 LEU A 111 17.727 -8.171 4.690 1.00 0.00 H new ATOM 1477 N GLU A 112 20.819 -11.774 6.971 1.00 0.00 N ATOM 1478 CA GLU A 112 21.419 -13.056 6.636 1.00 0.00 C ATOM 1479 C GLU A 112 20.519 -14.193 7.118 1.00 0.00 C ATOM 1480 O GLU A 112 20.461 -15.258 6.506 1.00 0.00 O ATOM 1481 CB GLU A 112 22.800 -13.180 7.272 1.00 0.00 C ATOM 1482 CG GLU A 112 22.770 -12.991 8.772 1.00 0.00 C ATOM 1483 CD GLU A 112 23.992 -13.559 9.460 1.00 0.00 C ATOM 1484 OE1 GLU A 112 24.023 -14.782 9.710 1.00 0.00 O ATOM 1485 OE2 GLU A 112 24.934 -12.789 9.743 1.00 0.00 O ATOM 0 H GLU A 112 21.337 -11.228 7.659 1.00 0.00 H new ATOM 0 HA GLU A 112 21.527 -13.119 5.553 1.00 0.00 H new ATOM 0 HB2 GLU A 112 23.215 -14.161 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.467 -12.440 6.830 1.00 0.00 H new ATOM 0 HG2 GLU A 112 22.693 -11.927 8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 112 21.877 -13.468 9.176 1.00 0.00 H new ATOM 1492 N VAL A 113 19.812 -13.940 8.217 1.00 0.00 N ATOM 1493 CA VAL A 113 18.859 -14.892 8.772 1.00 0.00 C ATOM 1494 C VAL A 113 17.684 -15.075 7.821 1.00 0.00 C ATOM 1495 O VAL A 113 17.201 -16.188 7.610 1.00 0.00 O ATOM 1496 CB VAL A 113 18.343 -14.415 10.148 1.00 0.00 C ATOM 1497 CG1 VAL A 113 17.241 -15.319 10.674 1.00 0.00 C ATOM 1498 CG2 VAL A 113 19.487 -14.344 11.140 1.00 0.00 C ATOM 0 H VAL A 113 19.885 -13.071 8.745 1.00 0.00 H new ATOM 0 HA VAL A 113 19.370 -15.846 8.902 1.00 0.00 H new ATOM 0 HB VAL A 113 17.920 -13.418 10.020 1.00 0.00 H new ATOM 0 HG11 VAL A 113 16.902 -14.953 11.643 1.00 0.00 H new ATOM 0 HG12 VAL A 113 16.405 -15.319 9.974 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.624 -16.334 10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.111 -14.007 12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 113 19.935 -15.332 11.250 1.00 0.00 H new ATOM 0 HG23 VAL A 113 20.239 -13.643 10.779 1.00 0.00 H new ATOM 1508 N LEU A 114 17.251 -13.975 7.226 1.00 0.00 N ATOM 1509 CA LEU A 114 16.173 -14.005 6.258 1.00 0.00 C ATOM 1510 C LEU A 114 16.651 -14.669 4.977 1.00 0.00 C ATOM 1511 O LEU A 114 15.861 -15.214 4.206 1.00 0.00 O ATOM 1512 CB LEU A 114 15.684 -12.588 5.960 1.00 0.00 C ATOM 1513 CG LEU A 114 15.058 -11.842 7.141 1.00 0.00 C ATOM 1514 CD1 LEU A 114 14.555 -10.478 6.701 1.00 0.00 C ATOM 1515 CD2 LEU A 114 13.928 -12.653 7.758 1.00 0.00 C ATOM 0 H LEU A 114 17.634 -13.046 7.400 1.00 0.00 H new ATOM 0 HA LEU A 114 15.344 -14.579 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 114 16.526 -12.003 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.951 -12.638 5.155 1.00 0.00 H new ATOM 0 HG LEU A 114 15.827 -11.700 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 114 14.113 -9.961 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.387 -9.891 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.803 -10.602 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.499 -12.102 8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.157 -12.832 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 114 14.317 -13.607 8.113 1.00 0.00 H new ATOM 1527 N PHE A 115 17.958 -14.630 4.773 1.00 0.00 N ATOM 1528 CA PHE A 115 18.568 -15.241 3.605 1.00 0.00 C ATOM 1529 C PHE A 115 18.803 -16.730 3.853 1.00 0.00 C ATOM 1530 O PHE A 115 19.171 -17.480 2.949 1.00 0.00 O ATOM 1531 CB PHE A 115 19.879 -14.533 3.284 1.00 0.00 C ATOM 1532 CG PHE A 115 20.468 -14.907 1.952 1.00 0.00 C ATOM 1533 CD1 PHE A 115 19.741 -14.725 0.785 1.00 0.00 C ATOM 1534 CD2 PHE A 115 21.746 -15.432 1.866 1.00 0.00 C ATOM 1535 CE1 PHE A 115 20.279 -15.062 -0.441 1.00 0.00 C ATOM 1536 CE2 PHE A 115 22.288 -15.771 0.642 1.00 0.00 C ATOM 1537 CZ PHE A 115 21.554 -15.585 -0.513 1.00 0.00 C ATOM 0 H PHE A 115 18.619 -14.179 5.405 1.00 0.00 H new ATOM 0 HA PHE A 115 17.897 -15.140 2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 115 19.713 -13.456 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 115 20.603 -14.760 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 115 18.743 -14.315 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 115 22.325 -15.578 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 115 19.703 -14.916 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 115 23.286 -16.181 0.588 1.00 0.00 H new ATOM 0 HZ PHE A 115 21.977 -15.848 -1.471 1.00 0.00 H new ATOM 1721 N LEU A 126 4.619 -6.928 -8.995 1.00 0.00 N ATOM 1722 CA LEU A 126 3.301 -6.939 -8.390 1.00 0.00 C ATOM 1723 C LEU A 126 2.778 -5.509 -8.283 1.00 0.00 C ATOM 1724 O LEU A 126 3.531 -4.559 -8.489 1.00 0.00 O ATOM 1725 CB LEU A 126 3.382 -7.586 -7.002 1.00 0.00 C ATOM 1726 CG LEU A 126 2.103 -7.509 -6.177 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.002 -8.323 -6.837 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.342 -7.987 -4.764 1.00 0.00 C ATOM 0 HA LEU A 126 2.615 -7.518 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.656 -8.634 -7.122 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.186 -7.109 -6.442 1.00 0.00 H new ATOM 0 HG LEU A 126 1.788 -6.467 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.094 -8.260 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.807 -7.929 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.315 -9.364 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.414 -7.922 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.684 -9.022 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.101 -7.363 -4.292 1.00 0.00 H new ATOM 1740 N LYS A 127 1.497 -5.347 -7.972 1.00 0.00 N ATOM 1741 CA LYS A 127 0.931 -4.039 -7.783 1.00 0.00 C ATOM 1742 C LYS A 127 -0.430 -4.130 -7.117 1.00 0.00 C ATOM 1743 O LYS A 127 -1.061 -5.191 -7.092 1.00 0.00 O ATOM 1744 CB LYS A 127 0.794 -3.309 -9.123 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.576 -3.446 -9.772 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.695 -2.596 -11.026 1.00 0.00 C ATOM 1747 CE LYS A 127 -2.151 -2.360 -11.396 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.805 -1.368 -10.496 1.00 0.00 N ATOM 0 H LYS A 127 0.838 -6.115 -7.847 1.00 0.00 H new ATOM 0 HA LYS A 127 1.606 -3.477 -7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.007 -2.251 -8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.549 -3.691 -9.810 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.756 -4.491 -10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.347 -3.152 -9.059 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.198 -1.639 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.183 -3.089 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -2.210 -2.009 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.694 -3.304 -11.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.819 -1.313 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.683 -1.664 -9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.369 -0.434 -10.634 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.856 -3.008 -6.572 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.235 -2.822 -6.172 1.00 0.00 C ATOM 1764 C VAL A 128 -2.662 -1.454 -6.654 1.00 0.00 C ATOM 1765 O VAL A 128 -2.824 -0.554 -5.814 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.508 -2.924 -4.655 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -3.659 -3.879 -4.393 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -1.287 -3.342 -3.871 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.772 -1.275 -7.883 1.00 0.00 O ATOM 0 H VAL A 128 -0.257 -2.202 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.803 -3.639 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.778 -1.926 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -3.842 -3.943 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -4.556 -3.514 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -3.406 -4.867 -4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.536 -3.397 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.950 -4.319 -4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -0.492 -2.611 -4.019 1.00 0.00 H new