USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 652 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 47 GLN :FLIP amide:sc= -0.185 F(o=-0.96,f=-0.19) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= -1.22 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -140:sc= -0.186 (180deg=-2.01!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.2) USER MOD Single : A 27 ASN : amide:sc=-0.00513 X(o=-0.0051,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.263 K(o=-0.26,f=-2.3!) USER MOD Single : A 31 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.4!) USER MOD Single : A 48 TYR OH : rot -117:sc= 0.124 USER MOD Single : A 50 MET CE :methyl 137:sc= -6.31! (180deg=-8.78!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -18.8! C(o=-21!,f=-19!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -130:sc= -0.242 (180deg=-2.75!) USER MOD Single : A 76 SER OG : rot 174:sc= 0.0108 USER MOD Single : A 77 MET CE :methyl 150:sc= -6.43! (180deg=-10.8!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.68! C(o=-1.7!,f=-2.3!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.284 6.748 5.978 1.00 0.00 N ATOM 95 CA GLN A 7 -9.782 6.164 4.745 1.00 0.00 C ATOM 96 C GLN A 7 -9.587 7.250 3.685 1.00 0.00 C ATOM 97 O GLN A 7 -10.550 7.693 3.060 1.00 0.00 O ATOM 98 CB GLN A 7 -10.718 5.065 4.238 1.00 0.00 C ATOM 99 CG GLN A 7 -12.051 5.651 3.772 1.00 0.00 C ATOM 100 CD GLN A 7 -13.186 4.640 3.945 1.00 0.00 C ATOM 101 OE1 GLN A 7 -13.414 3.775 3.116 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.884 4.797 5.067 1.00 0.00 N ATOM 0 HA GLN A 7 -8.815 5.706 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.244 4.530 3.415 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.894 4.338 5.031 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.274 6.554 4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.977 5.944 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.640 5.542 5.719 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.663 4.172 5.275 1.00 0.00 H new ATOM 111 N PHE A 8 -8.335 7.647 3.514 1.00 0.00 N ATOM 112 CA PHE A 8 -8.001 8.672 2.540 1.00 0.00 C ATOM 113 C PHE A 8 -8.097 8.126 1.114 1.00 0.00 C ATOM 114 O PHE A 8 -8.057 6.914 0.906 1.00 0.00 O ATOM 115 CB PHE A 8 -6.557 9.097 2.815 1.00 0.00 C ATOM 116 CG PHE A 8 -6.193 9.141 4.301 1.00 0.00 C ATOM 117 CD1 PHE A 8 -7.162 9.345 5.232 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.900 8.976 4.689 1.00 0.00 C ATOM 119 CE1 PHE A 8 -6.825 9.386 6.611 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.562 9.017 6.068 1.00 0.00 C ATOM 121 CZ PHE A 8 -5.532 9.221 7.000 1.00 0.00 C ATOM 0 H PHE A 8 -7.539 7.277 4.034 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.695 9.508 2.627 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.883 8.407 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.391 10.083 2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.189 9.476 4.923 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.130 8.814 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.595 9.548 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -3.535 8.886 6.377 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.275 9.252 8.049 1.00 0.00 H new ATOM 131 N ILE A 9 -8.221 9.046 0.169 1.00 0.00 N ATOM 132 CA ILE A 9 -8.323 8.672 -1.231 1.00 0.00 C ATOM 133 C ILE A 9 -6.922 8.411 -1.788 1.00 0.00 C ATOM 134 O ILE A 9 -6.104 9.326 -1.871 1.00 0.00 O ATOM 135 CB ILE A 9 -9.109 9.727 -2.012 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.542 9.842 -1.487 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.070 9.440 -3.514 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.325 8.553 -1.744 1.00 0.00 C ATOM 0 H ILE A 9 -8.253 10.050 0.346 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.887 7.745 -1.338 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.630 10.694 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.526 10.055 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.044 10.680 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.636 10.205 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.036 9.448 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.510 8.462 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.340 8.661 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.360 8.356 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.833 7.722 -1.238 1.00 0.00 H new ATOM 150 N PHE A 10 -6.689 7.160 -2.155 1.00 0.00 N ATOM 151 CA PHE A 10 -5.402 6.768 -2.702 1.00 0.00 C ATOM 152 C PHE A 10 -5.529 5.500 -3.550 1.00 0.00 C ATOM 153 O PHE A 10 -6.136 4.520 -3.120 1.00 0.00 O ATOM 154 CB PHE A 10 -4.479 6.483 -1.515 1.00 0.00 C ATOM 155 CG PHE A 10 -3.000 6.374 -1.889 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.322 7.475 -2.310 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.362 5.176 -1.799 1.00 0.00 C ATOM 158 CE1 PHE A 10 -0.948 7.374 -2.657 1.00 0.00 C ATOM 159 CE2 PHE A 10 -0.989 5.075 -2.146 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.311 6.176 -2.567 1.00 0.00 C ATOM 0 H PHE A 10 -7.370 6.404 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.012 7.561 -3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.599 7.275 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.792 5.554 -1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.828 8.426 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.900 4.302 -1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.410 8.248 -2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.483 4.124 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.734 6.099 -2.830 1.00 0.00 H new ATOM 170 N LYS A 11 -4.947 5.561 -4.738 1.00 0.00 N ATOM 171 CA LYS A 11 -4.987 4.430 -5.650 1.00 0.00 C ATOM 172 C LYS A 11 -3.561 4.062 -6.063 1.00 0.00 C ATOM 173 O LYS A 11 -2.821 4.904 -6.569 1.00 0.00 O ATOM 174 CB LYS A 11 -5.913 4.727 -6.831 1.00 0.00 C ATOM 175 CG LYS A 11 -7.369 4.832 -6.374 1.00 0.00 C ATOM 176 CD LYS A 11 -8.227 3.742 -7.018 1.00 0.00 C ATOM 177 CE LYS A 11 -9.595 3.648 -6.340 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.297 2.414 -6.758 1.00 0.00 N ATOM 0 H LYS A 11 -4.445 6.376 -5.091 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.410 3.556 -5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.610 5.658 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.819 3.939 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.420 4.746 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.766 5.813 -6.635 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.357 3.956 -8.079 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.715 2.782 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.472 3.654 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.196 4.520 -6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.224 2.366 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.431 2.423 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.730 1.584 -6.490 1.00 0.00 H new ATOM 192 N VAL A 12 -3.218 2.803 -5.832 1.00 0.00 N ATOM 193 CA VAL A 12 -1.893 2.314 -6.174 1.00 0.00 C ATOM 194 C VAL A 12 -1.983 1.447 -7.432 1.00 0.00 C ATOM 195 O VAL A 12 -2.903 0.642 -7.570 1.00 0.00 O ATOM 196 CB VAL A 12 -1.284 1.575 -4.981 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.582 0.076 -5.054 1.00 0.00 C ATOM 198 CG2 VAL A 12 0.222 1.830 -4.889 1.00 0.00 C ATOM 0 H VAL A 12 -3.834 2.107 -5.412 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.225 3.146 -6.399 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.746 1.965 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.138 -0.426 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.661 -0.081 -5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.160 -0.335 -5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.630 1.293 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.707 1.481 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.403 2.898 -4.768 1.00 0.00 H new ATOM 208 N THR A 13 -1.016 1.641 -8.316 1.00 0.00 N ATOM 209 CA THR A 13 -0.975 0.886 -9.557 1.00 0.00 C ATOM 210 C THR A 13 -0.995 -0.616 -9.269 1.00 0.00 C ATOM 211 O THR A 13 -0.473 -1.064 -8.250 1.00 0.00 O ATOM 212 CB THR A 13 0.257 1.337 -10.344 1.00 0.00 C ATOM 213 OG1 THR A 13 1.309 1.317 -9.384 1.00 0.00 O ATOM 214 CG2 THR A 13 0.173 2.804 -10.774 1.00 0.00 C ATOM 0 H THR A 13 -0.255 2.310 -8.198 1.00 0.00 H new ATOM 0 HA THR A 13 -1.857 1.080 -10.167 1.00 0.00 H new ATOM 0 HB THR A 13 0.375 0.706 -11.225 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.157 1.117 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.072 3.073 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.701 2.948 -11.409 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.089 3.438 -9.891 1.00 0.00 H new ATOM 222 N ASP A 14 -1.605 -1.354 -10.186 1.00 0.00 N ATOM 223 CA ASP A 14 -1.700 -2.797 -10.043 1.00 0.00 C ATOM 224 C ASP A 14 -0.303 -3.375 -9.806 1.00 0.00 C ATOM 225 O ASP A 14 -0.151 -4.368 -9.097 1.00 0.00 O ATOM 226 CB ASP A 14 -2.268 -3.439 -11.310 1.00 0.00 C ATOM 227 CG ASP A 14 -3.700 -3.964 -11.183 1.00 0.00 C ATOM 228 OD1 ASP A 14 -3.973 -4.623 -10.156 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.488 -3.694 -12.114 1.00 0.00 O ATOM 0 H ASP A 14 -2.038 -0.979 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.361 -3.010 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.236 -2.706 -12.116 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.619 -4.264 -11.603 1.00 0.00 H new ATOM 234 N LYS A 15 0.681 -2.728 -10.413 1.00 0.00 N ATOM 235 CA LYS A 15 2.060 -3.165 -10.276 1.00 0.00 C ATOM 236 C LYS A 15 2.500 -3.003 -8.820 1.00 0.00 C ATOM 237 O LYS A 15 3.192 -3.863 -8.277 1.00 0.00 O ATOM 238 CB LYS A 15 2.956 -2.431 -11.276 1.00 0.00 C ATOM 239 CG LYS A 15 3.905 -3.404 -11.978 1.00 0.00 C ATOM 240 CD LYS A 15 4.743 -2.684 -13.038 1.00 0.00 C ATOM 241 CE LYS A 15 5.058 -3.613 -14.211 1.00 0.00 C ATOM 242 NZ LYS A 15 5.195 -2.837 -15.464 1.00 0.00 N ATOM 0 H LYS A 15 0.551 -1.905 -11.001 1.00 0.00 H new ATOM 0 HA LYS A 15 2.151 -4.224 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.339 -1.921 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.533 -1.664 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.563 -3.870 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.331 -4.204 -12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.205 -1.807 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.672 -2.327 -12.592 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.980 -4.160 -14.012 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.265 -4.353 -14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.409 -3.483 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.306 -2.335 -15.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.967 -2.147 -15.363 1.00 0.00 H new ATOM 256 N ALA A 16 2.082 -1.893 -8.229 1.00 0.00 N ATOM 257 CA ALA A 16 2.424 -1.607 -6.847 1.00 0.00 C ATOM 258 C ALA A 16 1.751 -2.635 -5.935 1.00 0.00 C ATOM 259 O ALA A 16 2.398 -3.218 -5.067 1.00 0.00 O ATOM 260 CB ALA A 16 2.018 -0.172 -6.506 1.00 0.00 C ATOM 0 H ALA A 16 1.509 -1.181 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 16 3.500 -1.686 -6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.275 0.042 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.546 0.521 -7.161 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.943 -0.055 -6.645 1.00 0.00 H new ATOM 266 N VAL A 17 0.460 -2.826 -6.164 1.00 0.00 N ATOM 267 CA VAL A 17 -0.308 -3.773 -5.375 1.00 0.00 C ATOM 268 C VAL A 17 0.205 -5.189 -5.644 1.00 0.00 C ATOM 269 O VAL A 17 0.536 -5.921 -4.713 1.00 0.00 O ATOM 270 CB VAL A 17 -1.801 -3.612 -5.671 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.476 -4.975 -5.841 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.491 -2.791 -4.580 1.00 0.00 C ATOM 0 H VAL A 17 -0.073 -2.340 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.178 -3.577 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.900 -3.069 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.536 -4.832 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.011 -5.510 -6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.362 -5.554 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.551 -2.692 -4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.378 -3.294 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.037 -1.802 -4.527 1.00 0.00 H new ATOM 282 N GLU A 18 0.255 -5.533 -6.923 1.00 0.00 N ATOM 283 CA GLU A 18 0.722 -6.848 -7.326 1.00 0.00 C ATOM 284 C GLU A 18 2.093 -7.137 -6.711 1.00 0.00 C ATOM 285 O GLU A 18 2.408 -8.284 -6.398 1.00 0.00 O ATOM 286 CB GLU A 18 0.769 -6.970 -8.851 1.00 0.00 C ATOM 287 CG GLU A 18 1.036 -8.415 -9.278 1.00 0.00 C ATOM 288 CD GLU A 18 1.241 -8.510 -10.791 1.00 0.00 C ATOM 289 OE1 GLU A 18 0.239 -8.318 -11.513 1.00 0.00 O ATOM 290 OE2 GLU A 18 2.396 -8.773 -11.192 1.00 0.00 O ATOM 0 H GLU A 18 -0.020 -4.924 -7.693 1.00 0.00 H new ATOM 0 HA GLU A 18 0.016 -7.591 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.176 -6.630 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.549 -6.320 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.919 -8.793 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.199 -9.047 -8.980 1.00 0.00 H new ATOM 297 N GLU A 19 2.871 -6.076 -6.555 1.00 0.00 N ATOM 298 CA GLU A 19 4.200 -6.200 -5.982 1.00 0.00 C ATOM 299 C GLU A 19 4.110 -6.671 -4.529 1.00 0.00 C ATOM 300 O GLU A 19 4.955 -7.437 -4.067 1.00 0.00 O ATOM 301 CB GLU A 19 4.967 -4.880 -6.084 1.00 0.00 C ATOM 302 CG GLU A 19 6.219 -4.904 -5.205 1.00 0.00 C ATOM 303 CD GLU A 19 7.232 -5.928 -5.720 1.00 0.00 C ATOM 304 OE1 GLU A 19 7.947 -5.582 -6.686 1.00 0.00 O ATOM 305 OE2 GLU A 19 7.269 -7.033 -5.137 1.00 0.00 O ATOM 0 H GLU A 19 2.606 -5.126 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 19 4.752 -6.947 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.250 -4.699 -7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.321 -4.056 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.674 -3.914 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.942 -5.145 -4.179 1.00 0.00 H new ATOM 312 N ILE A 20 3.079 -6.193 -3.848 1.00 0.00 N ATOM 313 CA ILE A 20 2.868 -6.555 -2.457 1.00 0.00 C ATOM 314 C ILE A 20 2.507 -8.039 -2.370 1.00 0.00 C ATOM 315 O ILE A 20 2.857 -8.711 -1.401 1.00 0.00 O ATOM 316 CB ILE A 20 1.831 -5.631 -1.814 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.972 -4.201 -2.338 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.913 -5.694 -0.288 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.445 -3.816 -2.492 1.00 0.00 C ATOM 0 H ILE A 20 2.380 -5.558 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 20 3.784 -6.415 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 20 0.838 -5.981 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.466 -4.111 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.481 -3.509 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.166 -5.028 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.725 -6.715 0.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.906 -5.384 0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.517 -2.795 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.942 -3.884 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.927 -4.495 -3.196 1.00 0.00 H new ATOM 331 N LYS A 21 1.811 -8.507 -3.396 1.00 0.00 N ATOM 332 CA LYS A 21 1.398 -9.900 -3.448 1.00 0.00 C ATOM 333 C LYS A 21 2.626 -10.782 -3.682 1.00 0.00 C ATOM 334 O LYS A 21 2.749 -11.851 -3.087 1.00 0.00 O ATOM 335 CB LYS A 21 0.294 -10.093 -4.488 1.00 0.00 C ATOM 336 CG LYS A 21 -0.969 -9.322 -4.098 1.00 0.00 C ATOM 337 CD LYS A 21 -2.159 -9.747 -4.960 1.00 0.00 C ATOM 338 CE LYS A 21 -2.829 -8.532 -5.606 1.00 0.00 C ATOM 339 NZ LYS A 21 -2.469 -8.442 -7.038 1.00 0.00 N ATOM 0 H LYS A 21 1.523 -7.947 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 21 0.963 -10.205 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.645 -9.754 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.062 -11.154 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.196 -9.497 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.796 -8.252 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.824 -10.437 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.883 -10.283 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.911 -8.608 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.522 -7.623 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.304 -7.447 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.604 -8.992 -7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.245 -8.823 -7.616 1.00 0.00 H new ATOM 353 N LYS A 22 3.503 -10.302 -4.551 1.00 0.00 N ATOM 354 CA LYS A 22 4.717 -11.034 -4.872 1.00 0.00 C ATOM 355 C LYS A 22 5.645 -11.032 -3.655 1.00 0.00 C ATOM 356 O LYS A 22 6.121 -12.084 -3.233 1.00 0.00 O ATOM 357 CB LYS A 22 5.363 -10.470 -6.139 1.00 0.00 C ATOM 358 CG LYS A 22 6.876 -10.701 -6.132 1.00 0.00 C ATOM 359 CD LYS A 22 7.402 -10.930 -7.550 1.00 0.00 C ATOM 360 CE LYS A 22 7.548 -9.605 -8.302 1.00 0.00 C ATOM 361 NZ LYS A 22 8.949 -9.409 -8.737 1.00 0.00 N ATOM 0 H LYS A 22 3.397 -9.415 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 22 4.486 -12.076 -5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.923 -10.943 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.155 -9.403 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.377 -9.840 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.113 -11.563 -5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.367 -11.436 -7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.722 -11.587 -8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.887 -9.597 -9.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.241 -8.780 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.031 -8.506 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.572 -9.396 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.229 -10.188 -9.367 1.00 0.00 H new ATOM 375 N VAL A 23 5.873 -9.839 -3.127 1.00 0.00 N ATOM 376 CA VAL A 23 6.735 -9.687 -1.967 1.00 0.00 C ATOM 377 C VAL A 23 6.262 -10.628 -0.858 1.00 0.00 C ATOM 378 O VAL A 23 7.076 -11.249 -0.176 1.00 0.00 O ATOM 379 CB VAL A 23 6.773 -8.220 -1.532 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.083 -8.100 -0.039 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.779 -7.426 -2.367 1.00 0.00 C ATOM 0 H VAL A 23 5.476 -8.969 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 23 7.760 -9.966 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 23 5.785 -7.793 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.104 -7.048 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.313 -8.615 0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.053 -8.551 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.786 -6.387 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.774 -7.853 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.495 -7.471 -3.418 1.00 0.00 H new ATOM 391 N ALA A 24 4.947 -10.704 -0.711 1.00 0.00 N ATOM 392 CA ALA A 24 4.355 -11.559 0.304 1.00 0.00 C ATOM 393 C ALA A 24 4.519 -13.023 -0.110 1.00 0.00 C ATOM 394 O ALA A 24 4.803 -13.879 0.726 1.00 0.00 O ATOM 395 CB ALA A 24 2.889 -11.171 0.507 1.00 0.00 C ATOM 0 H ALA A 24 4.275 -10.187 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 24 4.862 -11.428 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.445 -11.812 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.829 -10.131 0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.347 -11.293 -0.431 1.00 0.00 H new ATOM 401 N GLN A 25 4.335 -13.264 -1.399 1.00 0.00 N ATOM 402 CA GLN A 25 4.458 -14.610 -1.934 1.00 0.00 C ATOM 403 C GLN A 25 5.834 -15.190 -1.597 1.00 0.00 C ATOM 404 O GLN A 25 6.021 -16.405 -1.620 1.00 0.00 O ATOM 405 CB GLN A 25 4.211 -14.625 -3.443 1.00 0.00 C ATOM 406 CG GLN A 25 2.736 -14.882 -3.755 1.00 0.00 C ATOM 407 CD GLN A 25 2.541 -16.260 -4.390 1.00 0.00 C ATOM 408 OE1 GLN A 25 3.245 -16.656 -5.305 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.549 -16.967 -3.855 1.00 0.00 N ATOM 0 H GLN A 25 4.102 -12.550 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 25 3.697 -15.237 -1.469 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.517 -13.672 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.824 -15.397 -3.908 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.150 -14.814 -2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.364 -14.111 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.998 -16.576 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.339 -17.900 -4.209 1.00 0.00 H new ATOM 418 N GLU A 26 6.761 -14.293 -1.293 1.00 0.00 N ATOM 419 CA GLU A 26 8.113 -14.701 -0.952 1.00 0.00 C ATOM 420 C GLU A 26 8.252 -14.865 0.563 1.00 0.00 C ATOM 421 O GLU A 26 9.181 -15.517 1.037 1.00 0.00 O ATOM 422 CB GLU A 26 9.139 -13.703 -1.492 1.00 0.00 C ATOM 423 CG GLU A 26 10.273 -14.424 -2.224 1.00 0.00 C ATOM 424 CD GLU A 26 11.327 -13.430 -2.716 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.924 -12.759 -1.846 1.00 0.00 O ATOM 426 OE2 GLU A 26 11.512 -13.364 -3.950 1.00 0.00 O ATOM 0 H GLU A 26 6.602 -13.286 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 26 8.310 -15.665 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.650 -13.004 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.548 -13.115 -0.670 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.737 -15.151 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.869 -14.980 -3.070 1.00 0.00 H new ATOM 433 N ASN A 27 7.316 -14.261 1.280 1.00 0.00 N ATOM 434 CA ASN A 27 7.322 -14.332 2.731 1.00 0.00 C ATOM 435 C ASN A 27 6.180 -15.236 3.198 1.00 0.00 C ATOM 436 O ASN A 27 5.840 -15.252 4.380 1.00 0.00 O ATOM 437 CB ASN A 27 7.115 -12.949 3.351 1.00 0.00 C ATOM 438 CG ASN A 27 8.456 -12.270 3.638 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.188 -12.640 4.541 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.735 -11.258 2.821 1.00 0.00 N ATOM 0 H ASN A 27 6.548 -13.720 0.883 1.00 0.00 H new ATOM 0 HA ASN A 27 8.288 -14.727 3.045 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.526 -12.328 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.546 -13.043 4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.607 -10.740 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.077 -11.000 2.085 1.00 0.00 H new ATOM 447 N ASN A 28 5.618 -15.966 2.246 1.00 0.00 N ATOM 448 CA ASN A 28 4.520 -16.870 2.545 1.00 0.00 C ATOM 449 C ASN A 28 3.395 -16.090 3.229 1.00 0.00 C ATOM 450 O ASN A 28 2.679 -16.634 4.068 1.00 0.00 O ATOM 451 CB ASN A 28 4.967 -17.984 3.494 1.00 0.00 C ATOM 452 CG ASN A 28 4.307 -19.314 3.127 1.00 0.00 C ATOM 453 OD1 ASN A 28 3.512 -19.410 2.207 1.00 0.00 O ATOM 454 ND2 ASN A 28 4.680 -20.333 3.896 1.00 0.00 N ATOM 0 H ASN A 28 5.902 -15.950 1.267 1.00 0.00 H new ATOM 0 HA ASN A 28 4.180 -17.309 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.051 -18.088 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.711 -17.718 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.296 -21.263 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.350 -20.184 4.650 1.00 0.00 H new ATOM 461 N ILE A 29 3.274 -14.828 2.844 1.00 0.00 N ATOM 462 CA ILE A 29 2.248 -13.969 3.409 1.00 0.00 C ATOM 463 C ILE A 29 1.064 -13.891 2.443 1.00 0.00 C ATOM 464 O ILE A 29 1.244 -13.971 1.229 1.00 0.00 O ATOM 465 CB ILE A 29 2.834 -12.603 3.774 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.827 -12.724 4.932 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.725 -11.592 4.072 1.00 0.00 C ATOM 468 CD1 ILE A 29 4.541 -11.395 5.183 1.00 0.00 C ATOM 0 H ILE A 29 3.870 -14.380 2.148 1.00 0.00 H new ATOM 0 HA ILE A 29 1.872 -14.389 4.342 1.00 0.00 H new ATOM 0 HB ILE A 29 3.388 -12.228 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.302 -13.035 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.561 -13.498 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.169 -10.630 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.092 -11.476 3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.123 -11.948 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.241 -11.509 6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.085 -11.099 4.286 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.807 -10.629 5.431 1.00 0.00 H new ATOM 480 N GLU A 30 -0.119 -13.737 3.018 1.00 0.00 N ATOM 481 CA GLU A 30 -1.332 -13.648 2.223 1.00 0.00 C ATOM 482 C GLU A 30 -2.133 -12.404 2.614 1.00 0.00 C ATOM 483 O GLU A 30 -3.259 -12.217 2.156 1.00 0.00 O ATOM 484 CB GLU A 30 -2.178 -14.914 2.371 1.00 0.00 C ATOM 485 CG GLU A 30 -2.364 -15.610 1.021 1.00 0.00 C ATOM 486 CD GLU A 30 -2.881 -17.038 1.207 1.00 0.00 C ATOM 487 OE1 GLU A 30 -3.949 -17.176 1.842 1.00 0.00 O ATOM 488 OE2 GLU A 30 -2.198 -17.959 0.710 1.00 0.00 O ATOM 0 H GLU A 30 -0.264 -13.672 4.026 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.050 -13.559 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.698 -15.596 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.151 -14.658 2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.065 -15.043 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.416 -15.630 0.484 1.00 0.00 H new ATOM 495 N ASN A 31 -1.520 -11.585 3.456 1.00 0.00 N ATOM 496 CA ASN A 31 -2.161 -10.364 3.913 1.00 0.00 C ATOM 497 C ASN A 31 -1.090 -9.322 4.240 1.00 0.00 C ATOM 498 O ASN A 31 -0.924 -8.938 5.396 1.00 0.00 O ATOM 499 CB ASN A 31 -2.980 -10.614 5.182 1.00 0.00 C ATOM 500 CG ASN A 31 -2.344 -11.711 6.037 1.00 0.00 C ATOM 501 OD1 ASN A 31 -2.293 -12.873 5.667 1.00 0.00 O ATOM 502 ND2 ASN A 31 -1.863 -11.280 7.200 1.00 0.00 N ATOM 0 H ASN A 31 -0.586 -11.743 3.834 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.821 -10.013 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.052 -9.693 5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.996 -10.901 4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.419 -11.936 7.843 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.938 -10.294 7.449 1.00 0.00 H new ATOM 509 N PRO A 32 -0.373 -8.881 3.172 1.00 0.00 N ATOM 510 CA PRO A 32 0.678 -7.890 3.333 1.00 0.00 C ATOM 511 C PRO A 32 0.087 -6.496 3.555 1.00 0.00 C ATOM 512 O PRO A 32 -0.897 -6.126 2.918 1.00 0.00 O ATOM 513 CB PRO A 32 1.509 -7.987 2.064 1.00 0.00 C ATOM 514 CG PRO A 32 0.631 -8.694 1.044 1.00 0.00 C ATOM 515 CD PRO A 32 -0.542 -9.312 1.787 1.00 0.00 C ATOM 0 HA PRO A 32 1.296 -8.072 4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.799 -6.998 1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.429 -8.545 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 32 0.277 -7.989 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.198 -9.463 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.493 -8.970 1.379 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.533 -10.399 1.707 1.00 0.00 H new ATOM 523 N ILE A 33 0.713 -5.761 4.463 1.00 0.00 N ATOM 524 CA ILE A 33 0.262 -4.416 4.777 1.00 0.00 C ATOM 525 C ILE A 33 1.210 -3.402 4.134 1.00 0.00 C ATOM 526 O ILE A 33 2.373 -3.300 4.522 1.00 0.00 O ATOM 527 CB ILE A 33 0.109 -4.242 6.289 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.220 -4.823 6.776 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.276 -2.776 6.692 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.031 -5.612 8.074 1.00 0.00 C ATOM 0 H ILE A 33 1.529 -6.072 4.991 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.728 -4.238 4.357 1.00 0.00 H new ATOM 0 HB ILE A 33 0.904 -4.803 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.936 -4.017 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.640 -5.474 6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.163 -2.680 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.267 -2.429 6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.482 -2.173 6.193 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.991 -6.014 8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.333 -6.432 7.903 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.634 -4.953 8.846 1.00 0.00 H new ATOM 542 N LEU A 34 0.677 -2.676 3.162 1.00 0.00 N ATOM 543 CA LEU A 34 1.461 -1.673 2.462 1.00 0.00 C ATOM 544 C LEU A 34 1.268 -0.315 3.141 1.00 0.00 C ATOM 545 O LEU A 34 0.179 0.255 3.097 1.00 0.00 O ATOM 546 CB LEU A 34 1.118 -1.669 0.971 1.00 0.00 C ATOM 547 CG LEU A 34 1.928 -0.708 0.098 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.418 -1.055 0.139 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.386 -0.677 -1.333 1.00 0.00 C ATOM 0 H LEU A 34 -0.288 -2.763 2.843 1.00 0.00 H new ATOM 0 HA LEU A 34 2.523 -1.911 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.252 -2.680 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.061 -1.424 0.862 1.00 0.00 H new ATOM 0 HG LEU A 34 1.819 0.297 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.971 -0.357 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.780 -0.985 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.565 -2.070 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.980 0.014 -1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.445 -1.676 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.347 -0.347 -1.322 1.00 0.00 H new ATOM 561 N ARG A 35 2.342 0.163 3.752 1.00 0.00 N ATOM 562 CA ARG A 35 2.304 1.443 4.439 1.00 0.00 C ATOM 563 C ARG A 35 2.991 2.518 3.596 1.00 0.00 C ATOM 564 O ARG A 35 4.137 2.349 3.181 1.00 0.00 O ATOM 565 CB ARG A 35 2.993 1.356 5.803 1.00 0.00 C ATOM 566 CG ARG A 35 3.014 2.721 6.494 1.00 0.00 C ATOM 567 CD ARG A 35 4.402 3.029 7.059 1.00 0.00 C ATOM 568 NE ARG A 35 4.651 2.207 8.264 1.00 0.00 N ATOM 569 CZ ARG A 35 4.053 2.407 9.446 1.00 0.00 C ATOM 570 NH1 ARG A 35 3.166 3.402 9.589 1.00 0.00 N ATOM 571 NH2 ARG A 35 4.341 1.612 10.486 1.00 0.00 N ATOM 0 H ARG A 35 3.244 -0.313 3.786 1.00 0.00 H new ATOM 0 HA ARG A 35 1.258 1.708 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.473 0.634 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.013 0.992 5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.726 3.496 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.279 2.737 7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.164 2.826 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.475 4.087 7.309 1.00 0.00 H new ATOM 0 HE ARG A 35 5.320 1.440 8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.946 4.007 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.711 3.554 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.016 0.855 10.378 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.886 1.764 11.386 1.00 0.00 H new ATOM 585 N ILE A 36 2.262 3.601 3.367 1.00 0.00 N ATOM 586 CA ILE A 36 2.787 4.704 2.581 1.00 0.00 C ATOM 587 C ILE A 36 3.481 5.703 3.509 1.00 0.00 C ATOM 588 O ILE A 36 2.838 6.310 4.364 1.00 0.00 O ATOM 589 CB ILE A 36 1.682 5.326 1.725 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.512 4.564 0.409 1.00 0.00 C ATOM 591 CG2 ILE A 36 1.939 6.817 1.495 1.00 0.00 C ATOM 592 CD1 ILE A 36 0.631 3.328 0.601 1.00 0.00 C ATOM 0 H ILE A 36 1.312 3.738 3.712 1.00 0.00 H new ATOM 0 HA ILE A 36 3.539 4.346 1.879 1.00 0.00 H new ATOM 0 HB ILE A 36 0.741 5.242 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.067 5.219 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.489 4.263 0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.139 7.234 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.969 7.333 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.892 6.947 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.526 2.805 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.091 2.663 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.353 3.634 0.957 1.00 0.00 H new ATOM 604 N ARG A 37 4.783 5.841 3.310 1.00 0.00 N ATOM 605 CA ARG A 37 5.571 6.755 4.120 1.00 0.00 C ATOM 606 C ARG A 37 6.390 7.687 3.223 1.00 0.00 C ATOM 607 O ARG A 37 6.701 7.343 2.084 1.00 0.00 O ATOM 608 CB ARG A 37 6.517 5.993 5.050 1.00 0.00 C ATOM 609 CG ARG A 37 6.613 6.677 6.415 1.00 0.00 C ATOM 610 CD ARG A 37 7.944 6.355 7.097 1.00 0.00 C ATOM 611 NE ARG A 37 8.824 7.545 7.075 1.00 0.00 N ATOM 612 CZ ARG A 37 8.587 8.667 7.768 1.00 0.00 C ATOM 613 NH1 ARG A 37 7.496 8.760 8.540 1.00 0.00 N ATOM 614 NH2 ARG A 37 9.441 9.697 7.688 1.00 0.00 N ATOM 0 H ARG A 37 5.313 5.335 2.600 1.00 0.00 H new ATOM 0 HA ARG A 37 4.880 7.341 4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.163 4.970 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.507 5.934 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.514 7.756 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.788 6.351 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.768 6.041 8.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.431 5.523 6.589 1.00 0.00 H new ATOM 0 HE ARG A 37 9.663 7.509 6.496 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.846 7.977 8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.316 9.614 9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.271 9.627 7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.261 10.551 8.215 1.00 0.00 H new ATOM 628 N VAL A 38 6.716 8.848 3.772 1.00 0.00 N ATOM 629 CA VAL A 38 7.492 9.831 3.036 1.00 0.00 C ATOM 630 C VAL A 38 8.968 9.700 3.419 1.00 0.00 C ATOM 631 O VAL A 38 9.325 9.847 4.586 1.00 0.00 O ATOM 632 CB VAL A 38 6.933 11.233 3.286 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.332 12.191 2.162 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.413 11.194 3.460 1.00 0.00 C ATOM 0 H VAL A 38 6.457 9.130 4.717 1.00 0.00 H new ATOM 0 HA VAL A 38 7.416 9.651 1.964 1.00 0.00 H new ATOM 0 HB VAL A 38 7.367 11.606 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.922 13.180 2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.419 12.253 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.940 11.823 1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.041 12.203 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.954 10.791 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.160 10.560 4.310 1.00 0.00 H new ATOM 644 N VAL A 39 9.784 9.423 2.413 1.00 0.00 N ATOM 645 CA VAL A 39 11.213 9.270 2.629 1.00 0.00 C ATOM 646 C VAL A 39 11.970 9.840 1.428 1.00 0.00 C ATOM 647 O VAL A 39 11.541 9.679 0.286 1.00 0.00 O ATOM 648 CB VAL A 39 11.546 7.802 2.905 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.097 6.911 1.745 1.00 0.00 C ATOM 650 CG2 VAL A 39 13.039 7.623 3.188 1.00 0.00 C ATOM 0 H VAL A 39 9.483 9.300 1.446 1.00 0.00 H new ATOM 0 HA VAL A 39 11.529 9.832 3.508 1.00 0.00 H new ATOM 0 HB VAL A 39 10.997 7.495 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.345 5.873 1.966 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.020 7.005 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.606 7.219 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.249 6.571 3.381 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.615 7.956 2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.317 8.214 4.060 1.00 0.00 H new ATOM 660 N PRO A 40 13.113 10.510 1.734 1.00 0.00 N ATOM 661 CA PRO A 40 13.934 11.104 0.693 1.00 0.00 C ATOM 662 C PRO A 40 14.724 10.032 -0.061 1.00 0.00 C ATOM 663 O PRO A 40 15.836 9.683 0.333 1.00 0.00 O ATOM 664 CB PRO A 40 14.826 12.101 1.415 1.00 0.00 C ATOM 665 CG PRO A 40 14.799 11.698 2.881 1.00 0.00 C ATOM 666 CD PRO A 40 13.652 10.720 3.075 1.00 0.00 C ATOM 0 HA PRO A 40 13.343 11.603 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.842 12.073 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.461 13.119 1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.745 11.239 3.168 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.665 12.574 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.999 9.784 3.513 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.895 11.125 3.747 1.00 0.00 H new ATOM 737 N GLN A 47 10.499 9.952 -3.691 1.00 0.00 N ATOM 738 CA GLN A 47 9.288 9.169 -3.871 1.00 0.00 C ATOM 739 C GLN A 47 9.044 8.281 -2.649 1.00 0.00 C ATOM 740 O GLN A 47 9.984 7.913 -1.946 1.00 0.00 O ATOM 741 CB GLN A 47 9.360 8.333 -5.150 1.00 0.00 C ATOM 742 CG GLN A 47 9.414 9.230 -6.389 1.00 0.00 C ATOM 743 CD GLN A 47 10.482 8.744 -7.371 1.00 0.00 C ATOM 744 OE1 GLN A 47 10.909 9.681 -8.213 1.00 0.00 O flip ATOM 745 NE2 GLN A 47 10.892 7.595 -7.365 1.00 0.00 N flip ATOM 0 HA GLN A 47 8.447 9.855 -3.972 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.242 7.693 -5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.492 7.677 -5.209 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.441 9.238 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.629 10.256 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.522 6.925 -6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.605 7.305 -8.034 1.00 0.00 H new ATOM 754 N TYR A 48 7.776 7.962 -2.433 1.00 0.00 N ATOM 755 CA TYR A 48 7.396 7.124 -1.308 1.00 0.00 C ATOM 756 C TYR A 48 7.670 5.649 -1.607 1.00 0.00 C ATOM 757 O TYR A 48 7.100 5.084 -2.539 1.00 0.00 O ATOM 758 CB TYR A 48 5.891 7.324 -1.123 1.00 0.00 C ATOM 759 CG TYR A 48 5.455 8.791 -1.109 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.448 9.497 0.077 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.069 9.407 -2.282 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.038 10.877 0.090 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.659 10.787 -2.269 1.00 0.00 C ATOM 764 CZ TYR A 48 4.663 11.454 -1.084 1.00 0.00 C ATOM 765 OH TYR A 48 4.276 12.758 -1.071 1.00 0.00 O ATOM 0 H TYR A 48 6.999 8.269 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 48 7.966 7.393 -0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.365 6.807 -1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.585 6.856 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.750 9.014 0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.074 8.854 -3.210 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.028 11.442 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.355 11.281 -3.180 1.00 0.00 H new ATOM 0 HH TYR A 48 3.340 12.824 -1.355 1.00 0.00 H new ATOM 775 N ALA A 49 8.542 5.066 -0.797 1.00 0.00 N ATOM 776 CA ALA A 49 8.898 3.667 -0.963 1.00 0.00 C ATOM 777 C ALA A 49 7.817 2.791 -0.326 1.00 0.00 C ATOM 778 O ALA A 49 7.061 3.254 0.527 1.00 0.00 O ATOM 779 CB ALA A 49 10.281 3.417 -0.359 1.00 0.00 C ATOM 0 H ALA A 49 9.012 5.537 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 49 8.952 3.408 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.548 2.368 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.017 4.041 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.264 3.664 0.703 1.00 0.00 H new ATOM 785 N MET A 50 7.778 1.542 -0.765 1.00 0.00 N ATOM 786 CA MET A 50 6.802 0.597 -0.249 1.00 0.00 C ATOM 787 C MET A 50 7.466 -0.429 0.672 1.00 0.00 C ATOM 788 O MET A 50 8.687 -0.439 0.817 1.00 0.00 O ATOM 789 CB MET A 50 6.125 -0.126 -1.415 1.00 0.00 C ATOM 790 CG MET A 50 5.025 0.740 -2.033 1.00 0.00 C ATOM 791 SD MET A 50 5.039 0.569 -3.809 1.00 0.00 S ATOM 792 CE MET A 50 4.990 -1.210 -3.949 1.00 0.00 C ATOM 0 H MET A 50 8.407 1.162 -1.473 1.00 0.00 H new ATOM 0 HA MET A 50 6.060 1.149 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.867 -0.374 -2.174 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.699 -1.067 -1.066 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.053 0.444 -1.639 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.176 1.784 -1.759 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.289 -1.494 -4.734 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.984 -1.583 -4.197 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.667 -1.641 -3.001 1.00 0.00 H new ATOM 802 N GLY A 51 6.632 -1.266 1.271 1.00 0.00 N ATOM 803 CA GLY A 51 7.122 -2.293 2.174 1.00 0.00 C ATOM 804 C GLY A 51 5.981 -3.191 2.655 1.00 0.00 C ATOM 805 O GLY A 51 4.858 -3.092 2.162 1.00 0.00 O ATOM 0 H GLY A 51 5.619 -1.254 1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.876 -2.897 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.608 -1.827 3.031 1.00 0.00 H new ATOM 809 N PHE A 52 6.307 -4.048 3.611 1.00 0.00 N ATOM 810 CA PHE A 52 5.323 -4.963 4.165 1.00 0.00 C ATOM 811 C PHE A 52 5.479 -5.083 5.682 1.00 0.00 C ATOM 812 O PHE A 52 6.572 -5.353 6.178 1.00 0.00 O ATOM 813 CB PHE A 52 5.576 -6.330 3.527 1.00 0.00 C ATOM 814 CG PHE A 52 7.057 -6.698 3.411 1.00 0.00 C ATOM 815 CD1 PHE A 52 7.866 -6.002 2.568 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.564 -7.721 4.149 1.00 0.00 C ATOM 817 CE1 PHE A 52 9.240 -6.343 2.460 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.938 -8.063 4.041 1.00 0.00 C ATOM 819 CZ PHE A 52 9.747 -7.366 3.198 1.00 0.00 C ATOM 0 H PHE A 52 7.239 -4.128 4.017 1.00 0.00 H new ATOM 0 HA PHE A 52 4.317 -4.598 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.067 -7.094 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.130 -6.344 2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.463 -5.190 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.921 -8.274 4.818 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.883 -5.790 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.340 -8.876 4.628 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.792 -7.625 3.115 1.00 0.00 H new ATOM 829 N ASP A 53 4.369 -4.879 6.377 1.00 0.00 N ATOM 830 CA ASP A 53 4.369 -4.961 7.827 1.00 0.00 C ATOM 831 C ASP A 53 3.306 -5.966 8.276 1.00 0.00 C ATOM 832 O ASP A 53 2.553 -6.487 7.455 1.00 0.00 O ATOM 833 CB ASP A 53 4.034 -3.607 8.456 1.00 0.00 C ATOM 834 CG ASP A 53 4.983 -2.468 8.079 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.182 -2.274 6.860 1.00 0.00 O ATOM 836 OD2 ASP A 53 5.488 -1.816 9.019 1.00 0.00 O ATOM 0 H ASP A 53 3.464 -4.657 5.962 1.00 0.00 H new ATOM 0 HA ASP A 53 5.364 -5.271 8.147 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.021 -3.328 8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.035 -3.717 9.540 1.00 0.00 H new ATOM 841 N ASP A 54 3.279 -6.208 9.578 1.00 0.00 N ATOM 842 CA ASP A 54 2.321 -7.142 10.146 1.00 0.00 C ATOM 843 C ASP A 54 1.723 -6.540 11.420 1.00 0.00 C ATOM 844 O ASP A 54 1.933 -7.062 12.514 1.00 0.00 O ATOM 845 CB ASP A 54 2.994 -8.464 10.518 1.00 0.00 C ATOM 846 CG ASP A 54 3.784 -9.128 9.389 1.00 0.00 C ATOM 847 OD1 ASP A 54 3.212 -9.232 8.282 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.941 -9.516 9.657 1.00 0.00 O ATOM 0 H ASP A 54 3.905 -5.774 10.256 1.00 0.00 H new ATOM 0 HA ASP A 54 1.549 -7.329 9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.667 -8.288 11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.229 -9.159 10.863 1.00 0.00 H new ATOM 853 N THR A 55 0.991 -5.452 11.235 1.00 0.00 N ATOM 854 CA THR A 55 0.361 -4.774 12.356 1.00 0.00 C ATOM 855 C THR A 55 -0.428 -3.558 11.868 1.00 0.00 C ATOM 856 O THR A 55 -0.298 -3.150 10.715 1.00 0.00 O ATOM 857 CB THR A 55 1.452 -4.425 13.370 1.00 0.00 C ATOM 858 OG1 THR A 55 1.013 -5.039 14.578 1.00 0.00 O ATOM 859 CG2 THR A 55 1.486 -2.931 13.702 1.00 0.00 C ATOM 0 H THR A 55 0.820 -5.023 10.326 1.00 0.00 H new ATOM 0 HA THR A 55 -0.368 -5.417 12.850 1.00 0.00 H new ATOM 0 HB THR A 55 2.422 -4.733 12.980 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.664 -4.864 15.289 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.278 -2.737 14.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.678 -2.361 12.793 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.527 -2.630 14.124 1.00 0.00 H new ATOM 867 N VAL A 56 -1.229 -3.011 12.771 1.00 0.00 N ATOM 868 CA VAL A 56 -2.039 -1.849 12.448 1.00 0.00 C ATOM 869 C VAL A 56 -1.930 -0.826 13.580 1.00 0.00 C ATOM 870 O VAL A 56 -1.629 -1.183 14.718 1.00 0.00 O ATOM 871 CB VAL A 56 -3.480 -2.279 12.166 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.466 -1.489 13.030 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.815 -2.134 10.680 1.00 0.00 C ATOM 0 H VAL A 56 -1.334 -3.352 13.727 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.674 -1.368 11.540 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.573 -3.333 12.429 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.483 -1.813 12.810 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.248 -1.665 14.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.370 -0.425 12.812 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.845 -2.446 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.696 -1.093 10.380 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.143 -2.760 10.093 1.00 0.00 H new ATOM 883 N GLU A 57 -2.181 0.426 13.228 1.00 0.00 N ATOM 884 CA GLU A 57 -2.116 1.504 14.201 1.00 0.00 C ATOM 885 C GLU A 57 -3.515 1.830 14.727 1.00 0.00 C ATOM 886 O GLU A 57 -4.511 1.336 14.201 1.00 0.00 O ATOM 887 CB GLU A 57 -1.453 2.745 13.600 1.00 0.00 C ATOM 888 CG GLU A 57 -0.239 2.362 12.751 1.00 0.00 C ATOM 889 CD GLU A 57 1.027 3.052 13.261 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.076 4.297 13.157 1.00 0.00 O ATOM 891 OE2 GLU A 57 1.918 2.320 13.743 1.00 0.00 O ATOM 0 H GLU A 57 -2.430 0.719 12.283 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.502 1.174 15.039 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.174 3.286 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.144 3.420 14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.102 1.281 12.773 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.415 2.640 11.712 1.00 0.00 H new ATOM 898 N GLU A 58 -3.545 2.660 15.759 1.00 0.00 N ATOM 899 CA GLU A 58 -4.806 3.058 16.363 1.00 0.00 C ATOM 900 C GLU A 58 -5.396 4.257 15.618 1.00 0.00 C ATOM 901 O GLU A 58 -6.180 5.018 16.182 1.00 0.00 O ATOM 902 CB GLU A 58 -4.627 3.370 17.850 1.00 0.00 C ATOM 903 CG GLU A 58 -5.965 3.302 18.589 1.00 0.00 C ATOM 904 CD GLU A 58 -5.891 2.330 19.769 1.00 0.00 C ATOM 905 OE1 GLU A 58 -5.493 2.792 20.860 1.00 0.00 O ATOM 906 OE2 GLU A 58 -6.233 1.148 19.553 1.00 0.00 O ATOM 0 H GLU A 58 -2.717 3.068 16.193 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.505 2.225 16.282 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.927 2.661 18.292 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.193 4.363 17.967 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.237 4.295 18.947 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.749 2.985 17.901 1.00 0.00 H new ATOM 913 N GLY A 59 -4.995 4.389 14.362 1.00 0.00 N ATOM 914 CA GLY A 59 -5.474 5.482 13.534 1.00 0.00 C ATOM 915 C GLY A 59 -4.677 5.574 12.231 1.00 0.00 C ATOM 916 O GLY A 59 -3.956 6.545 12.008 1.00 0.00 O ATOM 0 H GLY A 59 -4.343 3.756 13.898 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.530 5.336 13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.392 6.421 14.082 1.00 0.00 H new ATOM 920 N ASP A 60 -4.835 4.550 11.405 1.00 0.00 N ATOM 921 CA ASP A 60 -4.139 4.503 10.131 1.00 0.00 C ATOM 922 C ASP A 60 -5.161 4.356 9.001 1.00 0.00 C ATOM 923 O ASP A 60 -6.184 3.693 9.167 1.00 0.00 O ATOM 924 CB ASP A 60 -3.188 3.305 10.066 1.00 0.00 C ATOM 925 CG ASP A 60 -1.833 3.590 9.416 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.731 4.647 8.756 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.930 2.745 9.594 1.00 0.00 O ATOM 0 H ASP A 60 -5.435 3.747 11.593 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.566 5.425 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.019 2.939 11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.677 2.502 9.515 1.00 0.00 H new ATOM 932 N HIS A 61 -4.848 4.986 7.878 1.00 0.00 N ATOM 933 CA HIS A 61 -5.727 4.934 6.722 1.00 0.00 C ATOM 934 C HIS A 61 -5.788 3.501 6.188 1.00 0.00 C ATOM 935 O HIS A 61 -5.199 3.195 5.153 1.00 0.00 O ATOM 936 CB HIS A 61 -5.288 5.944 5.660 1.00 0.00 C ATOM 937 CG HIS A 61 -5.865 5.684 4.289 1.00 0.00 C ATOM 938 ND1 HIS A 61 -5.499 6.158 3.064 1.00 0.00 N flip ATOM 939 CD2 HIS A 61 -6.949 4.849 4.078 1.00 0.00 C flip ATOM 940 CE1 HIS A 61 -6.314 5.639 2.153 1.00 0.00 C flip ATOM 941 NE2 HIS A 61 -7.214 4.828 2.780 1.00 0.00 N flip ATOM 0 H HIS A 61 -3.999 5.535 7.744 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.737 5.219 7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.579 6.944 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.200 5.935 5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.487 4.307 4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.271 5.828 1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.960 4.298 2.329 1.00 0.00 H new ATOM 949 N VAL A 62 -6.507 2.662 6.919 1.00 0.00 N ATOM 950 CA VAL A 62 -6.653 1.269 6.532 1.00 0.00 C ATOM 951 C VAL A 62 -7.633 1.169 5.361 1.00 0.00 C ATOM 952 O VAL A 62 -8.836 1.349 5.538 1.00 0.00 O ATOM 953 CB VAL A 62 -7.078 0.432 7.740 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.598 0.459 7.919 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.566 -1.005 7.620 1.00 0.00 C ATOM 0 H VAL A 62 -6.995 2.920 7.777 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.699 0.865 6.193 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.628 0.875 8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.873 -0.144 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.928 1.486 8.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -9.077 0.054 7.028 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.882 -1.578 8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.973 -1.462 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.477 -1.000 7.565 1.00 0.00 H new ATOM 965 N PHE A 63 -7.080 0.883 4.192 1.00 0.00 N ATOM 966 CA PHE A 63 -7.890 0.757 2.992 1.00 0.00 C ATOM 967 C PHE A 63 -7.835 -0.669 2.440 1.00 0.00 C ATOM 968 O PHE A 63 -6.797 -1.325 2.509 1.00 0.00 O ATOM 969 CB PHE A 63 -7.304 1.716 1.954 1.00 0.00 C ATOM 970 CG PHE A 63 -8.339 2.295 0.988 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.548 2.709 1.454 1.00 0.00 C ATOM 972 CD2 PHE A 63 -8.050 2.397 -0.337 1.00 0.00 C ATOM 973 CE1 PHE A 63 -10.508 3.247 0.557 1.00 0.00 C ATOM 974 CE2 PHE A 63 -9.010 2.935 -1.234 1.00 0.00 C ATOM 975 CZ PHE A 63 -10.219 3.348 -0.768 1.00 0.00 C ATOM 0 H PHE A 63 -6.081 0.735 4.050 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.930 0.990 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.807 2.536 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.540 1.191 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.778 2.628 2.506 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.090 2.069 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -11.468 3.576 0.927 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.780 3.016 -2.286 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.950 3.756 -1.450 1.00 0.00 H new ATOM 985 N GLU A 64 -8.965 -1.106 1.905 1.00 0.00 N ATOM 986 CA GLU A 64 -9.059 -2.442 1.341 1.00 0.00 C ATOM 987 C GLU A 64 -8.632 -2.429 -0.128 1.00 0.00 C ATOM 988 O GLU A 64 -8.959 -1.500 -0.865 1.00 0.00 O ATOM 989 CB GLU A 64 -10.473 -3.005 1.497 1.00 0.00 C ATOM 990 CG GLU A 64 -10.850 -3.141 2.974 1.00 0.00 C ATOM 991 CD GLU A 64 -12.337 -3.464 3.133 1.00 0.00 C ATOM 992 OE1 GLU A 64 -13.149 -2.665 2.618 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.627 -4.502 3.765 1.00 0.00 O ATOM 0 H GLU A 64 -9.824 -0.559 1.850 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.381 -3.096 1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.186 -2.351 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.536 -3.979 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.252 -3.927 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.617 -2.215 3.499 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.910 -3.472 -0.510 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.435 -3.593 -1.878 1.00 0.00 C ATOM 1002 C TYR A 65 -7.797 -4.958 -2.466 1.00 0.00 C ATOM 1003 O TYR A 65 -8.596 -5.694 -1.889 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.912 -3.468 -1.809 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.396 -2.038 -1.982 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.110 -1.556 -3.243 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -5.217 -1.231 -0.877 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.624 -0.210 -3.406 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.732 0.115 -1.040 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.459 0.559 -2.296 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.000 1.830 -2.450 1.00 0.00 O ATOM 0 H TYR A 65 -7.642 -4.241 0.104 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.889 -2.830 -2.510 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.569 -3.853 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.471 -4.098 -2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.251 -2.188 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.441 -1.609 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -4.396 0.180 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.588 0.758 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.932 2.262 -1.573 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.191 -5.256 -3.606 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.439 -6.520 -4.278 1.00 0.00 C ATOM 1023 C ASP A 66 -6.896 -7.664 -3.419 1.00 0.00 C ATOM 1024 O ASP A 66 -5.896 -8.287 -3.770 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.734 -6.571 -5.634 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.418 -7.445 -6.687 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.613 -7.748 -6.483 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.730 -7.790 -7.672 1.00 0.00 O ATOM 0 H ASP A 66 -6.528 -4.643 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.514 -6.617 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.654 -5.556 -6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.718 -6.937 -5.485 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.580 -7.906 -2.311 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.179 -8.964 -1.399 1.00 0.00 C ATOM 1035 C GLY A 67 -5.870 -8.610 -0.691 1.00 0.00 C ATOM 1036 O GLY A 67 -5.015 -9.473 -0.493 1.00 0.00 O ATOM 0 H GLY A 67 -8.410 -7.387 -2.024 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.963 -9.129 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.058 -9.897 -1.949 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.753 -7.341 -0.330 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.562 -6.863 0.351 1.00 0.00 C ATOM 1042 C VAL A 68 -4.937 -5.696 1.266 1.00 0.00 C ATOM 1043 O VAL A 68 -5.899 -4.977 0.999 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.484 -6.498 -0.672 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.196 -6.054 0.023 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.218 -7.664 -1.627 1.00 0.00 C ATOM 0 H VAL A 68 -6.464 -6.629 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.141 -7.648 0.980 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.852 -5.659 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.447 -5.800 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.399 -5.181 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.823 -6.864 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.448 -7.379 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.881 -8.531 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.135 -7.914 -2.160 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.158 -5.543 2.327 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.397 -4.476 3.283 1.00 0.00 C ATOM 1058 C LYS A 69 -3.352 -3.376 3.084 1.00 0.00 C ATOM 1059 O LYS A 69 -2.192 -3.662 2.793 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.440 -5.032 4.708 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.847 -4.917 5.299 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.792 -4.767 6.821 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.170 -4.994 7.444 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.367 -4.099 8.606 1.00 0.00 N ATOM 0 H LYS A 69 -3.361 -6.141 2.545 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.374 -4.024 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.127 -6.076 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.733 -4.490 5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.359 -4.059 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.428 -5.801 5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.080 -5.481 7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.432 -3.771 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.946 -4.811 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.267 -6.033 7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.697 -4.655 9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.467 -3.636 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.076 -3.376 8.371 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.801 -2.140 3.250 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.919 -0.996 3.092 1.00 0.00 C ATOM 1080 C VAL A 70 -3.206 0.020 4.199 1.00 0.00 C ATOM 1081 O VAL A 70 -4.309 0.056 4.743 1.00 0.00 O ATOM 1082 CB VAL A 70 -3.070 -0.409 1.687 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.591 1.043 1.646 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.330 -1.261 0.654 1.00 0.00 C ATOM 0 H VAL A 70 -4.764 -1.906 3.492 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.877 -1.300 3.192 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.130 -0.419 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.709 1.437 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.182 1.641 2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.540 1.088 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.454 -0.822 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.270 -1.298 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.739 -2.272 0.656 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.194 0.821 4.500 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.324 1.835 5.532 1.00 0.00 C ATOM 1096 C VAL A 71 -1.523 3.074 5.127 1.00 0.00 C ATOM 1097 O VAL A 71 -0.522 2.967 4.421 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.896 1.262 6.885 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.265 -0.219 6.995 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.399 1.473 7.120 1.00 0.00 C ATOM 0 H VAL A 71 -1.281 0.788 4.047 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.365 2.141 5.638 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.437 1.800 7.663 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.950 -0.601 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.344 -0.334 6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.764 -0.778 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.120 1.057 8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.167 0.973 6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.175 2.540 7.106 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.995 4.222 5.592 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.335 5.480 5.288 1.00 0.00 C ATOM 1112 C ILE A 72 -1.433 6.409 6.499 1.00 0.00 C ATOM 1113 O ILE A 72 -2.426 6.387 7.224 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.903 6.085 4.002 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -2.103 5.010 2.932 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -1.026 7.235 3.503 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.854 5.572 1.723 1.00 0.00 C ATOM 0 H ILE A 72 -2.826 4.307 6.177 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.274 5.317 5.096 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.885 6.503 4.226 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.135 4.623 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.659 4.172 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.452 7.647 2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.979 8.014 4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.021 6.865 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.983 4.787 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.832 5.936 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.283 6.394 1.290 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.388 7.203 6.682 1.00 0.00 N ATOM 1130 CA ASP A 73 -0.343 8.137 7.794 1.00 0.00 C ATOM 1131 C ASP A 73 -1.152 9.386 7.437 1.00 0.00 C ATOM 1132 O ASP A 73 -1.469 9.613 6.271 1.00 0.00 O ATOM 1133 CB ASP A 73 1.094 8.573 8.090 1.00 0.00 C ATOM 1134 CG ASP A 73 1.586 8.259 9.504 1.00 0.00 C ATOM 1135 OD1 ASP A 73 1.508 7.070 9.881 1.00 0.00 O ATOM 1136 OD2 ASP A 73 2.029 9.215 10.176 1.00 0.00 O ATOM 0 H ASP A 73 0.434 7.219 6.079 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.756 7.638 8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.759 8.090 7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.173 9.647 7.924 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.471 10.184 8.491 1.00 0.00 N ATOM 1142 CA PRO A 74 -2.236 11.404 8.301 1.00 0.00 C ATOM 1143 C PRO A 74 -1.370 12.505 7.685 1.00 0.00 C ATOM 1144 O PRO A 74 -1.888 13.441 7.078 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.757 11.762 9.684 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.886 10.997 10.667 1.00 0.00 C ATOM 1147 CD PRO A 74 -1.112 9.947 9.886 1.00 0.00 C ATOM 0 HA PRO A 74 -3.061 11.278 7.600 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.694 12.836 9.859 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.805 11.483 9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.201 11.674 11.178 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.500 10.526 11.435 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.038 10.050 10.041 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.385 8.939 10.199 1.00 0.00 H new ATOM 1155 N PHE A 75 -0.066 12.356 7.863 1.00 0.00 N ATOM 1156 CA PHE A 75 0.877 13.326 7.333 1.00 0.00 C ATOM 1157 C PHE A 75 1.143 13.076 5.847 1.00 0.00 C ATOM 1158 O PHE A 75 1.698 13.932 5.159 1.00 0.00 O ATOM 1159 CB PHE A 75 2.184 13.150 8.109 1.00 0.00 C ATOM 1160 CG PHE A 75 2.654 14.415 8.831 1.00 0.00 C ATOM 1161 CD1 PHE A 75 3.370 15.355 8.158 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.355 14.599 10.145 1.00 0.00 C ATOM 1163 CE1 PHE A 75 3.806 16.529 8.828 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.791 15.773 10.814 1.00 0.00 C ATOM 1165 CZ PHE A 75 3.507 16.713 10.142 1.00 0.00 C ATOM 0 H PHE A 75 0.360 11.578 8.367 1.00 0.00 H new ATOM 0 HA PHE A 75 0.474 14.333 7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.055 12.353 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.964 12.827 7.419 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.607 15.209 7.115 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.786 13.852 10.679 1.00 0.00 H new ATOM 0 HE1 PHE A 75 4.375 17.276 8.294 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.554 15.919 11.857 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.838 17.606 10.651 1.00 0.00 H new ATOM 1175 N SER A 76 0.734 11.899 5.395 1.00 0.00 N ATOM 1176 CA SER A 76 0.921 11.526 4.003 1.00 0.00 C ATOM 1177 C SER A 76 -0.278 11.986 3.172 1.00 0.00 C ATOM 1178 O SER A 76 -0.183 12.104 1.951 1.00 0.00 O ATOM 1179 CB SER A 76 1.118 10.015 3.860 1.00 0.00 C ATOM 1180 OG SER A 76 2.420 9.605 4.269 1.00 0.00 O ATOM 0 H SER A 76 0.274 11.192 5.968 1.00 0.00 H new ATOM 0 HA SER A 76 1.820 12.019 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.370 9.494 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.956 9.725 2.822 1.00 0.00 H new ATOM 0 HG SER A 76 2.473 8.626 4.259 1.00 0.00 H new ATOM 1186 N MET A 77 -1.378 12.234 3.867 1.00 0.00 N ATOM 1187 CA MET A 77 -2.595 12.679 3.208 1.00 0.00 C ATOM 1188 C MET A 77 -2.350 13.965 2.415 1.00 0.00 C ATOM 1189 O MET A 77 -2.689 14.045 1.235 1.00 0.00 O ATOM 1190 CB MET A 77 -3.682 12.925 4.256 1.00 0.00 C ATOM 1191 CG MET A 77 -4.960 12.158 3.909 1.00 0.00 C ATOM 1192 SD MET A 77 -5.696 12.835 2.431 1.00 0.00 S ATOM 1193 CE MET A 77 -4.899 11.821 1.196 1.00 0.00 C ATOM 0 H MET A 77 -1.453 12.135 4.879 1.00 0.00 H new ATOM 0 HA MET A 77 -2.916 11.902 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.323 12.616 5.238 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.899 13.991 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.732 11.103 3.761 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.666 12.218 4.737 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.561 11.704 0.338 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.972 12.298 0.877 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.676 10.841 1.618 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.747 14.964 3.113 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.453 16.242 2.486 1.00 0.00 C ATOM 1205 C PRO A 78 -0.252 16.128 1.545 1.00 0.00 C ATOM 1206 O PRO A 78 0.185 17.122 0.968 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.213 17.200 3.641 1.00 0.00 C ATOM 1208 CG PRO A 78 -0.924 16.329 4.853 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.331 14.905 4.511 1.00 0.00 C ATOM 0 HA PRO A 78 -2.266 16.597 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.375 17.865 3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.085 17.831 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.134 16.372 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.478 16.686 5.721 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.501 14.212 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.143 14.561 5.152 1.00 0.00 H new ATOM 1217 N TYR A 79 0.246 14.907 1.419 1.00 0.00 N ATOM 1218 CA TYR A 79 1.388 14.650 0.558 1.00 0.00 C ATOM 1219 C TYR A 79 0.989 13.782 -0.637 1.00 0.00 C ATOM 1220 O TYR A 79 1.604 13.862 -1.700 1.00 0.00 O ATOM 1221 CB TYR A 79 2.398 13.883 1.414 1.00 0.00 C ATOM 1222 CG TYR A 79 3.535 14.750 1.960 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.256 15.799 2.811 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.841 14.481 1.601 1.00 0.00 C ATOM 1225 CE1 TYR A 79 4.326 16.615 3.324 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.911 15.296 2.114 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.601 16.323 2.951 1.00 0.00 C ATOM 1228 OH TYR A 79 6.612 17.093 3.436 1.00 0.00 O ATOM 0 H TYR A 79 -0.120 14.085 1.899 1.00 0.00 H new ATOM 0 HA TYR A 79 1.793 15.584 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.873 13.421 2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.824 13.075 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.235 16.009 3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.060 13.659 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.121 17.440 3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.937 15.097 1.841 1.00 0.00 H new ATOM 0 HH TYR A 79 7.468 16.768 3.086 1.00 0.00 H new ATOM 1238 N VAL A 80 -0.038 12.973 -0.424 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.527 12.092 -1.470 1.00 0.00 C ATOM 1240 C VAL A 80 -2.048 12.220 -1.570 1.00 0.00 C ATOM 1241 O VAL A 80 -2.756 11.216 -1.643 1.00 0.00 O ATOM 1242 CB VAL A 80 -0.064 10.658 -1.205 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.442 10.608 -0.940 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.846 10.035 -0.047 1.00 0.00 C ATOM 0 H VAL A 80 -0.545 12.909 0.459 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.113 12.380 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.266 10.070 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.745 9.577 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.977 10.993 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.678 11.218 -0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.498 9.016 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.690 10.625 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.908 10.020 -0.292 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.507 13.463 -1.570 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.931 13.735 -1.659 1.00 0.00 C ATOM 1256 C ASN A 81 -4.472 13.174 -2.976 1.00 0.00 C ATOM 1257 O ASN A 81 -4.297 13.781 -4.032 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.207 15.240 -1.639 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.520 15.940 -2.813 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -2.315 16.129 -2.838 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -4.351 16.312 -3.783 1.00 0.00 N ATOM 0 H ASN A 81 -1.917 14.293 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.417 13.267 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.282 15.417 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.853 15.666 -0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.989 16.786 -4.611 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.350 16.123 -3.699 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.117 12.021 -2.870 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.684 11.371 -4.039 1.00 0.00 C ATOM 1270 C GLY A 82 -4.591 11.000 -5.044 1.00 0.00 C ATOM 1271 O GLY A 82 -4.887 10.632 -6.180 1.00 0.00 O ATOM 0 H GLY A 82 -5.259 11.521 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.223 10.474 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.409 12.034 -4.512 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.352 11.110 -4.590 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.214 10.791 -5.435 1.00 0.00 C ATOM 1277 C ALA A 83 -2.085 9.271 -5.557 1.00 0.00 C ATOM 1278 O ALA A 83 -2.537 8.534 -4.682 1.00 0.00 O ATOM 1279 CB ALA A 83 -0.953 11.439 -4.859 1.00 0.00 C ATOM 0 H ALA A 83 -3.111 11.416 -3.647 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.357 11.191 -6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.099 11.200 -5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.085 12.520 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.776 11.059 -3.853 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.466 8.848 -6.649 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.272 7.429 -6.896 1.00 0.00 C ATOM 1287 C GLU A 84 0.216 7.078 -6.836 1.00 0.00 C ATOM 1288 O GLU A 84 1.061 7.871 -7.249 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.878 7.019 -8.240 1.00 0.00 C ATOM 1290 CG GLU A 84 -3.391 7.248 -8.252 1.00 0.00 C ATOM 1291 CD GLU A 84 -3.763 8.410 -9.175 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -3.919 8.145 -10.387 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -3.882 9.537 -8.648 1.00 0.00 O ATOM 0 H GLU A 84 -1.092 9.462 -7.373 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.789 6.870 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.413 7.592 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.664 5.968 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.897 6.341 -8.582 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.739 7.457 -7.240 1.00 0.00 H new ATOM 1300 N LEU A 85 0.490 5.890 -6.319 1.00 0.00 N ATOM 1301 CA LEU A 85 1.862 5.424 -6.200 1.00 0.00 C ATOM 1302 C LEU A 85 2.139 4.384 -7.287 1.00 0.00 C ATOM 1303 O LEU A 85 1.647 3.259 -7.214 1.00 0.00 O ATOM 1304 CB LEU A 85 2.135 4.920 -4.781 1.00 0.00 C ATOM 1305 CG LEU A 85 3.061 3.707 -4.668 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.444 4.018 -5.242 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.138 3.210 -3.222 1.00 0.00 C ATOM 0 H LEU A 85 -0.214 5.236 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 85 2.559 6.246 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.567 5.737 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.182 4.669 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 85 2.640 2.898 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.082 3.139 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.349 4.288 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.888 4.848 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.802 2.347 -3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.524 4.005 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.143 2.923 -2.882 1.00 0.00 H new ATOM 1319 N ASP A 86 2.926 4.797 -8.269 1.00 0.00 N ATOM 1320 CA ASP A 86 3.275 3.914 -9.370 1.00 0.00 C ATOM 1321 C ASP A 86 4.635 3.271 -9.091 1.00 0.00 C ATOM 1322 O ASP A 86 5.675 3.886 -9.319 1.00 0.00 O ATOM 1323 CB ASP A 86 3.379 4.689 -10.685 1.00 0.00 C ATOM 1324 CG ASP A 86 3.305 3.830 -11.949 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.532 2.607 -11.819 1.00 0.00 O ATOM 1326 OD2 ASP A 86 3.023 4.415 -13.017 1.00 0.00 O ATOM 0 H ASP A 86 3.332 5.731 -8.326 1.00 0.00 H new ATOM 0 HA ASP A 86 2.494 3.158 -9.457 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.578 5.428 -10.718 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.320 5.239 -10.692 1.00 0.00 H new ATOM 1331 N TYR A 87 4.582 2.041 -8.601 1.00 0.00 N ATOM 1332 CA TYR A 87 5.797 1.307 -8.289 1.00 0.00 C ATOM 1333 C TYR A 87 6.342 0.595 -9.529 1.00 0.00 C ATOM 1334 O TYR A 87 5.695 -0.302 -10.068 1.00 0.00 O ATOM 1335 CB TYR A 87 5.401 0.260 -7.246 1.00 0.00 C ATOM 1336 CG TYR A 87 6.590 -0.447 -6.592 1.00 0.00 C ATOM 1337 CD1 TYR A 87 7.332 0.202 -5.626 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.919 -1.733 -6.967 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.451 -0.463 -5.010 1.00 0.00 C ATOM 1340 CE2 TYR A 87 8.038 -2.398 -6.351 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.749 -1.730 -5.403 1.00 0.00 C ATOM 1342 OH TYR A 87 9.805 -2.359 -4.821 1.00 0.00 O ATOM 0 H TYR A 87 3.717 1.534 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 87 6.572 1.983 -7.929 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.806 0.742 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.763 -0.486 -7.719 1.00 0.00 H new ATOM 0 HD1 TYR A 87 7.073 1.209 -5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.338 -2.241 -7.722 1.00 0.00 H new ATOM 0 HE1 TYR A 87 9.040 0.033 -4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.307 -3.405 -6.635 1.00 0.00 H new ATOM 0 HH TYR A 87 9.899 -3.258 -5.199 1.00 0.00 H new ATOM 1352 N VAL A 88 7.525 1.022 -9.945 1.00 0.00 N ATOM 1353 CA VAL A 88 8.164 0.436 -11.111 1.00 0.00 C ATOM 1354 C VAL A 88 8.751 -0.926 -10.735 1.00 0.00 C ATOM 1355 O VAL A 88 9.120 -1.150 -9.583 1.00 0.00 O ATOM 1356 CB VAL A 88 9.207 1.401 -11.677 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.078 0.712 -12.729 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.541 2.653 -12.250 1.00 0.00 C ATOM 0 H VAL A 88 8.058 1.767 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 88 7.434 0.268 -11.902 1.00 0.00 H new ATOM 0 HB VAL A 88 9.855 1.712 -10.858 1.00 0.00 H new ATOM 0 HG11 VAL A 88 10.811 1.420 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.595 -0.134 -12.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.450 0.358 -13.546 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.305 3.323 -12.646 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.858 2.368 -13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.985 3.162 -11.463 1.00 0.00 H new ATOM 1447 N GLY A 95 11.481 0.267 -8.587 1.00 0.00 N ATOM 1448 CA GLY A 95 11.632 1.614 -8.064 1.00 0.00 C ATOM 1449 C GLY A 95 10.269 2.280 -7.864 1.00 0.00 C ATOM 1450 O GLY A 95 9.481 2.384 -8.803 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.168 1.582 -7.115 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.234 2.209 -8.750 1.00 0.00 H new ATOM 1454 N PHE A 96 10.032 2.714 -6.635 1.00 0.00 N ATOM 1455 CA PHE A 96 8.778 3.367 -6.300 1.00 0.00 C ATOM 1456 C PHE A 96 8.718 4.776 -6.893 1.00 0.00 C ATOM 1457 O PHE A 96 9.530 5.634 -6.548 1.00 0.00 O ATOM 1458 CB PHE A 96 8.719 3.466 -4.774 1.00 0.00 C ATOM 1459 CG PHE A 96 9.985 4.044 -4.138 1.00 0.00 C ATOM 1460 CD1 PHE A 96 10.138 5.391 -4.030 1.00 0.00 C ATOM 1461 CD2 PHE A 96 10.957 3.210 -3.681 1.00 0.00 C ATOM 1462 CE1 PHE A 96 11.312 5.927 -3.439 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.132 3.746 -3.091 1.00 0.00 C ATOM 1464 CZ PHE A 96 12.285 5.093 -2.982 1.00 0.00 C ATOM 0 H PHE A 96 10.688 2.626 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 96 7.942 2.796 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.868 4.086 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.539 2.473 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.366 6.053 -4.394 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.835 2.140 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.433 6.997 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 96 12.904 3.084 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 96 13.179 5.501 -2.533 1.00 0.00 H new ATOM 1474 N THR A 97 7.749 4.972 -7.775 1.00 0.00 N ATOM 1475 CA THR A 97 7.573 6.262 -8.419 1.00 0.00 C ATOM 1476 C THR A 97 6.150 6.778 -8.198 1.00 0.00 C ATOM 1477 O THR A 97 5.208 5.993 -8.104 1.00 0.00 O ATOM 1478 CB THR A 97 7.940 6.107 -9.896 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.363 6.165 -9.908 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.510 7.312 -10.736 1.00 0.00 C ATOM 0 H THR A 97 7.077 4.259 -8.059 1.00 0.00 H new ATOM 0 HA THR A 97 8.230 7.015 -7.983 1.00 0.00 H new ATOM 0 HB THR A 97 7.475 5.204 -10.293 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.686 6.071 -10.828 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.794 7.151 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.429 7.434 -10.670 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.000 8.210 -10.361 1.00 0.00 H new ATOM 1488 N ILE A 98 6.038 8.096 -8.121 1.00 0.00 N ATOM 1489 CA ILE A 98 4.746 8.727 -7.912 1.00 0.00 C ATOM 1490 C ILE A 98 4.642 9.972 -8.795 1.00 0.00 C ATOM 1491 O ILE A 98 5.637 10.656 -9.030 1.00 0.00 O ATOM 1492 CB ILE A 98 4.520 9.007 -6.425 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.645 7.725 -5.600 1.00 0.00 C ATOM 1494 CG2 ILE A 98 3.179 9.708 -6.196 1.00 0.00 C ATOM 1495 CD1 ILE A 98 6.059 7.570 -5.037 1.00 0.00 C ATOM 0 H ILE A 98 6.821 8.744 -8.200 1.00 0.00 H new ATOM 0 HA ILE A 98 3.942 8.055 -8.212 1.00 0.00 H new ATOM 0 HB ILE A 98 5.301 9.687 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.924 7.743 -4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.401 6.863 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.044 9.895 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.167 10.655 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.370 9.074 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.120 6.651 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.775 7.528 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.291 8.421 -4.397 1.00 0.00 H new ATOM 1507 N ARG A 99 3.428 10.229 -9.260 1.00 0.00 N ATOM 1508 CA ARG A 99 3.182 11.380 -10.112 1.00 0.00 C ATOM 1509 C ARG A 99 2.108 12.278 -9.494 1.00 0.00 C ATOM 1510 O ARG A 99 1.244 11.802 -8.759 1.00 0.00 O ATOM 1511 CB ARG A 99 2.732 10.946 -11.508 1.00 0.00 C ATOM 1512 CG ARG A 99 3.231 11.923 -12.574 1.00 0.00 C ATOM 1513 CD ARG A 99 2.447 11.759 -13.878 1.00 0.00 C ATOM 1514 NE ARG A 99 1.094 12.341 -13.732 1.00 0.00 N ATOM 1515 CZ ARG A 99 0.294 12.649 -14.762 1.00 0.00 C ATOM 1516 NH1 ARG A 99 0.706 12.434 -16.019 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -0.918 13.173 -14.535 1.00 0.00 N ATOM 0 H ARG A 99 2.605 9.660 -9.063 1.00 0.00 H new ATOM 0 HA ARG A 99 4.117 11.933 -10.200 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.110 9.946 -11.721 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.644 10.890 -11.542 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.130 12.946 -12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.292 11.754 -12.759 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.977 12.250 -14.695 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.372 10.703 -14.136 1.00 0.00 H new ATOM 0 HE ARG A 99 0.749 12.519 -12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.629 12.036 -16.192 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.097 12.669 -16.803 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.232 13.337 -13.578 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.527 13.408 -15.319 1.00 0.00 H new ATOM 1531 N ASN A 100 2.197 13.560 -9.815 1.00 0.00 N ATOM 1532 CA ASN A 100 1.244 14.529 -9.300 1.00 0.00 C ATOM 1533 C ASN A 100 0.747 15.408 -10.449 1.00 0.00 C ATOM 1534 O ASN A 100 1.546 15.973 -11.195 1.00 0.00 O ATOM 1535 CB ASN A 100 1.893 15.439 -8.256 1.00 0.00 C ATOM 1536 CG ASN A 100 1.942 14.755 -6.888 1.00 0.00 C ATOM 1537 OD1 ASN A 100 1.757 13.556 -6.757 1.00 0.00 O ATOM 1538 ND2 ASN A 100 2.201 15.582 -5.879 1.00 0.00 N ATOM 0 H ASN A 100 2.915 13.951 -10.426 1.00 0.00 H new ATOM 0 HA ASN A 100 0.422 13.981 -8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.903 15.700 -8.573 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.332 16.371 -8.181 1.00 0.00 H new ATOM 0 HD21 ASN A 100 2.255 15.223 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.346 16.576 -6.058 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.606 15.499 -10.559 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.220 16.300 -11.605 1.00 0.00 C ATOM 1547 C PRO A 101 -1.110 17.793 -11.287 1.00 0.00 C ATOM 1548 O PRO A 101 -0.495 18.547 -12.039 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.657 15.813 -11.681 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.922 15.089 -10.370 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.583 14.844 -9.694 1.00 0.00 C ATOM 0 HA PRO A 101 -0.724 16.186 -12.569 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.346 16.648 -11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -2.799 15.146 -12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.570 15.686 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.436 14.145 -10.552 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.565 15.263 -8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.376 13.778 -9.599 1.00 0.00 H new