USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 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 HIS : no HD1:sc= -7.72! C(o=-8.2!,f=-13!) USER MOD Set 1.2: A 48 THR OG1 : rot -95:sc= -0.436! USER MOD Set 2.1: A 34 ASN : amide:sc= -16.7! C(o=-32!,f=-50!) USER MOD Set 2.2: A 36 ASN : amide:sc= -14.9! C(o=-32!,f=-57!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.811 USER MOD Single : A 30 GLN : amide:sc= -0.269 K(o=-0.27,f=-3!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= -2.4! (180deg=-5.43!) USER MOD Single : A 40 LYS NZ :NH3+ -152:sc= -1.34 (180deg=-3.71!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= -0.0807 (180deg=-0.581) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= -0.372 (180deg=-3.39!) USER MOD Single : A 67 SER OG : rot 180:sc= 0.345! USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.0331 (180deg=-0.295) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.158) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.157 6.496 -1.108 1.00 0.00 N ATOM 116 CA PRO A 24 -5.379 7.729 -0.876 1.00 0.00 C ATOM 117 C PRO A 24 -4.296 7.418 0.154 1.00 0.00 C ATOM 118 O PRO A 24 -4.247 7.996 1.222 1.00 0.00 O ATOM 119 CB PRO A 24 -6.411 8.714 -0.333 1.00 0.00 C ATOM 120 CG PRO A 24 -7.480 7.852 0.252 1.00 0.00 C ATOM 121 CD PRO A 24 -7.525 6.601 -0.589 1.00 0.00 C ATOM 0 HA PRO A 24 -4.880 8.127 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.975 9.371 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.805 9.352 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.260 7.613 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.442 8.364 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.799 5.728 0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.256 6.683 -1.394 1.00 0.00 H new ATOM 129 N ILE A 25 -3.430 6.492 -0.167 1.00 0.00 N ATOM 130 CA ILE A 25 -2.349 6.113 0.782 1.00 0.00 C ATOM 131 C ILE A 25 -1.311 7.230 0.854 1.00 0.00 C ATOM 132 O ILE A 25 -0.352 7.152 1.594 1.00 0.00 O ATOM 133 CB ILE A 25 -1.729 4.830 0.208 1.00 0.00 C ATOM 134 CG1 ILE A 25 -0.735 5.181 -0.903 1.00 0.00 C ATOM 135 CG2 ILE A 25 -2.822 3.933 -0.372 1.00 0.00 C ATOM 136 CD1 ILE A 25 -0.038 3.909 -1.375 1.00 0.00 C ATOM 0 H ILE A 25 -3.428 5.982 -1.050 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.723 5.954 1.793 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.213 4.305 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.255 5.655 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.000 5.898 -0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.372 3.026 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.530 3.668 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.345 4.464 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.671 4.154 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.494 3.454 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.780 3.208 -1.757 1.00 0.00 H new ATOM 148 N SER A 26 -1.499 8.251 0.063 1.00 0.00 N ATOM 149 CA SER A 26 -0.535 9.393 0.036 1.00 0.00 C ATOM 150 C SER A 26 0.136 9.598 1.401 1.00 0.00 C ATOM 151 O SER A 26 1.304 9.316 1.571 1.00 0.00 O ATOM 152 CB SER A 26 -1.387 10.608 -0.331 1.00 0.00 C ATOM 153 OG SER A 26 -0.641 11.459 -1.192 1.00 0.00 O ATOM 0 H SER A 26 -2.289 8.345 -0.575 1.00 0.00 H new ATOM 0 HA SER A 26 0.276 9.219 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.306 10.288 -0.823 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.679 11.148 0.570 1.00 0.00 H new ATOM 0 HG SER A 26 -1.184 12.239 -1.432 1.00 0.00 H new ATOM 159 N ARG A 27 -0.585 10.086 2.372 1.00 0.00 N ATOM 160 CA ARG A 27 0.036 10.312 3.715 1.00 0.00 C ATOM 161 C ARG A 27 0.147 8.995 4.494 1.00 0.00 C ATOM 162 O ARG A 27 0.857 8.902 5.474 1.00 0.00 O ATOM 163 CB ARG A 27 -0.892 11.305 4.430 1.00 0.00 C ATOM 164 CG ARG A 27 -2.089 10.569 5.042 1.00 0.00 C ATOM 165 CD ARG A 27 -3.025 11.584 5.710 1.00 0.00 C ATOM 166 NE ARG A 27 -2.299 12.034 6.932 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.364 11.336 8.038 1.00 0.00 C ATOM 168 NH1 ARG A 27 -3.050 10.226 8.080 1.00 0.00 N ATOM 169 NH2 ARG A 27 -1.734 11.750 9.103 1.00 0.00 N ATOM 0 H ARG A 27 -1.571 10.338 2.299 1.00 0.00 H new ATOM 0 HA ARG A 27 1.051 10.701 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.342 11.830 5.211 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.242 12.059 3.725 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.625 10.018 4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.745 9.838 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.237 12.422 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.982 11.130 5.965 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.748 12.892 6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.540 9.897 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.096 9.687 8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.193 12.614 9.072 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.782 11.209 9.967 1.00 0.00 H new ATOM 183 N LEU A 28 -0.556 7.981 4.074 1.00 0.00 N ATOM 184 CA LEU A 28 -0.497 6.678 4.798 1.00 0.00 C ATOM 185 C LEU A 28 0.922 6.102 4.799 1.00 0.00 C ATOM 186 O LEU A 28 1.610 6.131 5.800 1.00 0.00 O ATOM 187 CB LEU A 28 -1.435 5.753 4.030 1.00 0.00 C ATOM 188 CG LEU A 28 -2.850 5.881 4.596 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.776 4.895 3.884 1.00 0.00 C ATOM 190 CD2 LEU A 28 -2.831 5.569 6.096 1.00 0.00 C ATOM 0 H LEU A 28 -1.170 7.997 3.260 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.785 6.794 5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.430 6.010 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.092 4.722 4.109 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.212 6.897 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.784 4.986 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.791 5.116 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.414 3.879 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.839 5.660 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.468 4.553 6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.172 6.272 6.605 1.00 0.00 H new ATOM 202 N GLU A 29 1.361 5.555 3.695 1.00 0.00 N ATOM 203 CA GLU A 29 2.727 4.952 3.659 1.00 0.00 C ATOM 204 C GLU A 29 3.794 6.003 3.336 1.00 0.00 C ATOM 205 O GLU A 29 4.949 5.839 3.677 1.00 0.00 O ATOM 206 CB GLU A 29 2.658 3.902 2.549 1.00 0.00 C ATOM 207 CG GLU A 29 2.555 4.591 1.187 1.00 0.00 C ATOM 208 CD GLU A 29 2.785 3.559 0.081 1.00 0.00 C ATOM 209 OE1 GLU A 29 1.897 2.753 -0.143 1.00 0.00 O ATOM 210 OE2 GLU A 29 3.846 3.589 -0.517 1.00 0.00 O ATOM 0 H GLU A 29 0.837 5.500 2.822 1.00 0.00 H new ATOM 0 HA GLU A 29 3.005 4.526 4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.545 3.269 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.797 3.252 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.574 5.051 1.073 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.293 5.390 1.114 1.00 0.00 H new ATOM 217 N GLN A 30 3.440 7.075 2.677 1.00 0.00 N ATOM 218 CA GLN A 30 4.475 8.097 2.353 1.00 0.00 C ATOM 219 C GLN A 30 4.877 8.849 3.619 1.00 0.00 C ATOM 220 O GLN A 30 6.015 9.248 3.783 1.00 0.00 O ATOM 221 CB GLN A 30 3.823 9.052 1.354 1.00 0.00 C ATOM 222 CG GLN A 30 4.902 9.669 0.459 1.00 0.00 C ATOM 223 CD GLN A 30 4.436 11.041 -0.028 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.456 11.572 0.459 1.00 0.00 O ATOM 225 NE2 GLN A 30 5.099 11.646 -0.976 1.00 0.00 N ATOM 0 H GLN A 30 2.495 7.284 2.354 1.00 0.00 H new ATOM 0 HA GLN A 30 5.376 7.643 1.940 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.093 8.517 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.283 9.836 1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.837 9.765 1.012 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.100 9.017 -0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.921 11.203 -1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.795 12.562 -1.307 1.00 0.00 H new ATOM 234 N CYS A 31 3.958 9.032 4.525 1.00 0.00 N ATOM 235 CA CYS A 31 4.296 9.740 5.785 1.00 0.00 C ATOM 236 C CYS A 31 5.012 8.767 6.718 1.00 0.00 C ATOM 237 O CYS A 31 5.627 9.156 7.692 1.00 0.00 O ATOM 238 CB CYS A 31 2.957 10.179 6.375 1.00 0.00 C ATOM 239 SG CYS A 31 3.240 11.425 7.658 1.00 0.00 S ATOM 0 H CYS A 31 2.990 8.722 4.446 1.00 0.00 H new ATOM 0 HA CYS A 31 4.953 10.596 5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.319 10.587 5.591 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.434 9.320 6.796 1.00 0.00 H new ATOM 0 HG CYS A 31 2.100 11.800 8.158 1.00 0.00 H new ATOM 245 N GLY A 32 4.952 7.497 6.411 1.00 0.00 N ATOM 246 CA GLY A 32 5.643 6.495 7.263 1.00 0.00 C ATOM 247 C GLY A 32 4.638 5.513 7.868 1.00 0.00 C ATOM 248 O GLY A 32 4.419 5.500 9.063 1.00 0.00 O ATOM 0 H GLY A 32 4.454 7.115 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.378 5.951 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.188 7.002 8.059 1.00 0.00 H new ATOM 252 N ILE A 33 4.050 4.658 7.069 1.00 0.00 N ATOM 253 CA ILE A 33 3.102 3.666 7.643 1.00 0.00 C ATOM 254 C ILE A 33 3.941 2.538 8.257 1.00 0.00 C ATOM 255 O ILE A 33 4.791 2.780 9.091 1.00 0.00 O ATOM 256 CB ILE A 33 2.210 3.190 6.468 1.00 0.00 C ATOM 257 CG1 ILE A 33 1.029 2.384 7.022 1.00 0.00 C ATOM 258 CG2 ILE A 33 3.005 2.317 5.484 1.00 0.00 C ATOM 259 CD1 ILE A 33 0.195 3.276 7.944 1.00 0.00 C ATOM 0 H ILE A 33 4.185 4.607 6.059 1.00 0.00 H new ATOM 0 HA ILE A 33 2.459 4.063 8.429 1.00 0.00 H new ATOM 0 HB ILE A 33 1.850 4.069 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.413 2.011 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.392 1.515 7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.352 1.999 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.837 2.892 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.390 1.440 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.645 2.706 8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.815 3.627 8.769 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.180 4.131 7.382 1.00 0.00 H new ATOM 271 N ASN A 34 3.745 1.325 7.853 1.00 0.00 N ATOM 272 CA ASN A 34 4.572 0.217 8.420 1.00 0.00 C ATOM 273 C ASN A 34 5.868 0.088 7.604 1.00 0.00 C ATOM 274 O ASN A 34 6.590 1.048 7.430 1.00 0.00 O ATOM 275 CB ASN A 34 3.706 -1.038 8.290 1.00 0.00 C ATOM 276 CG ASN A 34 3.350 -1.253 6.823 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.582 -0.392 6.004 1.00 0.00 O ATOM 278 ND2 ASN A 34 2.799 -2.376 6.451 1.00 0.00 N ATOM 0 H ASN A 34 3.053 1.044 7.158 1.00 0.00 H new ATOM 0 HA ASN A 34 4.860 0.386 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.241 -1.905 8.677 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.799 -0.931 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.564 -2.528 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.604 -3.101 7.141 1.00 0.00 H new ATOM 285 N ALA A 35 6.168 -1.078 7.092 1.00 0.00 N ATOM 286 CA ALA A 35 7.415 -1.231 6.285 1.00 0.00 C ATOM 287 C ALA A 35 7.197 -0.683 4.873 1.00 0.00 C ATOM 288 O ALA A 35 8.134 -0.467 4.132 1.00 0.00 O ATOM 289 CB ALA A 35 7.683 -2.734 6.223 1.00 0.00 C ATOM 0 H ALA A 35 5.608 -1.924 7.197 1.00 0.00 H new ATOM 0 HA ALA A 35 8.250 -0.686 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.587 -2.919 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.814 -3.122 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.839 -3.235 5.748 1.00 0.00 H new ATOM 295 N ASN A 36 5.967 -0.483 4.484 1.00 0.00 N ATOM 296 CA ASN A 36 5.701 0.023 3.108 1.00 0.00 C ATOM 297 C ASN A 36 6.549 1.248 2.800 1.00 0.00 C ATOM 298 O ASN A 36 7.334 1.235 1.877 1.00 0.00 O ATOM 299 CB ASN A 36 4.223 0.412 3.071 1.00 0.00 C ATOM 300 CG ASN A 36 3.361 -0.772 3.506 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.865 -1.751 4.016 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.070 -0.719 3.328 1.00 0.00 N ATOM 0 H ASN A 36 5.139 -0.647 5.056 1.00 0.00 H new ATOM 0 HA ASN A 36 5.946 -0.740 2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.046 1.263 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.946 0.724 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.483 -1.501 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.648 0.105 2.899 1.00 0.00 H new ATOM 309 N ASP A 37 6.366 2.311 3.541 1.00 0.00 N ATOM 310 CA ASP A 37 7.137 3.562 3.276 1.00 0.00 C ATOM 311 C ASP A 37 8.471 3.244 2.596 1.00 0.00 C ATOM 312 O ASP A 37 8.644 3.465 1.410 1.00 0.00 O ATOM 313 CB ASP A 37 7.368 4.177 4.657 1.00 0.00 C ATOM 314 CG ASP A 37 8.197 5.455 4.518 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.339 5.353 4.102 1.00 0.00 O ATOM 316 OD2 ASP A 37 7.675 6.513 4.829 1.00 0.00 O ATOM 0 H ASP A 37 5.712 2.366 4.322 1.00 0.00 H new ATOM 0 HA ASP A 37 6.605 4.238 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.412 4.401 5.131 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.884 3.465 5.301 1.00 0.00 H new ATOM 321 N VAL A 38 9.395 2.709 3.338 1.00 0.00 N ATOM 322 CA VAL A 38 10.724 2.360 2.764 1.00 0.00 C ATOM 323 C VAL A 38 10.621 1.386 1.583 1.00 0.00 C ATOM 324 O VAL A 38 11.096 1.661 0.506 1.00 0.00 O ATOM 325 CB VAL A 38 11.472 1.686 3.914 1.00 0.00 C ATOM 326 CG1 VAL A 38 12.884 1.316 3.452 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.560 2.645 5.102 1.00 0.00 C ATOM 0 H VAL A 38 9.287 2.495 4.329 1.00 0.00 H new ATOM 0 HA VAL A 38 11.221 3.249 2.375 1.00 0.00 H new ATOM 0 HB VAL A 38 10.938 0.785 4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.420 0.835 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.822 0.631 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.416 2.218 3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.094 2.162 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.094 3.547 4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.555 2.910 5.431 1.00 0.00 H new ATOM 337 N LYS A 39 10.056 0.229 1.781 1.00 0.00 N ATOM 338 CA LYS A 39 10.010 -0.767 0.668 1.00 0.00 C ATOM 339 C LYS A 39 8.894 -0.491 -0.344 1.00 0.00 C ATOM 340 O LYS A 39 9.137 -0.407 -1.534 1.00 0.00 O ATOM 341 CB LYS A 39 9.772 -2.107 1.363 1.00 0.00 C ATOM 342 CG LYS A 39 10.916 -2.381 2.341 1.00 0.00 C ATOM 343 CD LYS A 39 10.340 -2.809 3.693 1.00 0.00 C ATOM 344 CE LYS A 39 9.931 -4.284 3.630 1.00 0.00 C ATOM 345 NZ LYS A 39 9.832 -4.719 5.053 1.00 0.00 N ATOM 0 H LYS A 39 9.627 -0.071 2.656 1.00 0.00 H new ATOM 0 HA LYS A 39 10.931 -0.734 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.820 -2.090 1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.710 -2.907 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.566 -3.162 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.528 -1.487 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.080 -2.659 4.479 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.478 -2.192 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.980 -4.408 3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.669 -4.875 3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.384 -5.590 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.207 -3.972 5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.836 -4.899 5.292 1.00 0.00 H new ATOM 359 N LYS A 40 7.676 -0.394 0.100 1.00 0.00 N ATOM 360 CA LYS A 40 6.553 -0.183 -0.858 1.00 0.00 C ATOM 361 C LYS A 40 6.794 0.985 -1.817 1.00 0.00 C ATOM 362 O LYS A 40 6.795 0.801 -3.013 1.00 0.00 O ATOM 363 CB LYS A 40 5.320 0.105 -0.011 1.00 0.00 C ATOM 364 CG LYS A 40 4.630 -1.209 0.354 1.00 0.00 C ATOM 365 CD LYS A 40 3.327 -1.323 -0.430 1.00 0.00 C ATOM 366 CE LYS A 40 2.447 -0.108 -0.126 1.00 0.00 C ATOM 367 NZ LYS A 40 1.084 -0.502 -0.574 1.00 0.00 N ATOM 0 H LYS A 40 7.406 -0.451 1.082 1.00 0.00 H new ATOM 0 HA LYS A 40 6.442 -1.069 -1.483 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.605 0.641 0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.632 0.749 -0.559 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.282 -2.052 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.429 -1.243 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.535 -1.377 -1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.805 -2.241 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.459 0.133 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.797 0.777 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.550 0.347 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.158 -1.144 -1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.589 -0.984 0.203 1.00 0.00 H new ATOM 381 N LEU A 41 6.940 2.189 -1.326 1.00 0.00 N ATOM 382 CA LEU A 41 7.089 3.343 -2.267 1.00 0.00 C ATOM 383 C LEU A 41 8.520 3.552 -2.781 1.00 0.00 C ATOM 384 O LEU A 41 8.713 4.161 -3.815 1.00 0.00 O ATOM 385 CB LEU A 41 6.620 4.562 -1.468 1.00 0.00 C ATOM 386 CG LEU A 41 7.778 5.110 -0.628 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.458 6.267 -1.367 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.244 5.608 0.715 1.00 0.00 C ATOM 0 H LEU A 41 6.963 2.422 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 41 6.506 3.165 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.254 5.333 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.788 4.285 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 41 8.505 4.315 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.280 6.651 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.844 5.912 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.734 7.063 -1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.068 5.998 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.513 6.399 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.769 4.783 1.246 1.00 0.00 H new ATOM 400 N GLU A 42 9.531 3.109 -2.091 1.00 0.00 N ATOM 401 CA GLU A 42 10.900 3.376 -2.615 1.00 0.00 C ATOM 402 C GLU A 42 11.170 2.589 -3.899 1.00 0.00 C ATOM 403 O GLU A 42 11.483 3.158 -4.925 1.00 0.00 O ATOM 404 CB GLU A 42 11.860 2.946 -1.514 1.00 0.00 C ATOM 405 CG GLU A 42 13.277 3.413 -1.854 1.00 0.00 C ATOM 406 CD GLU A 42 14.009 3.796 -0.567 1.00 0.00 C ATOM 407 OE1 GLU A 42 13.356 4.293 0.335 1.00 0.00 O ATOM 408 OE2 GLU A 42 15.209 3.583 -0.505 1.00 0.00 O ATOM 0 H GLU A 42 9.476 2.590 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 42 11.021 4.429 -2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.547 3.369 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.841 1.862 -1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.818 2.621 -2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.238 4.267 -2.531 1.00 0.00 H new ATOM 415 N GLU A 43 11.064 1.290 -3.854 1.00 0.00 N ATOM 416 CA GLU A 43 11.333 0.486 -5.083 1.00 0.00 C ATOM 417 C GLU A 43 10.700 1.158 -6.308 1.00 0.00 C ATOM 418 O GLU A 43 11.204 1.070 -7.410 1.00 0.00 O ATOM 419 CB GLU A 43 10.696 -0.886 -4.805 1.00 0.00 C ATOM 420 CG GLU A 43 9.291 -0.966 -5.419 1.00 0.00 C ATOM 421 CD GLU A 43 9.406 -1.254 -6.917 1.00 0.00 C ATOM 422 OE1 GLU A 43 10.516 -1.218 -7.424 1.00 0.00 O ATOM 423 OE2 GLU A 43 8.381 -1.502 -7.533 1.00 0.00 O ATOM 0 H GLU A 43 10.805 0.752 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 43 12.397 0.397 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.324 -1.675 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.639 -1.055 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.713 -1.750 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.758 -0.029 -5.258 1.00 0.00 H new ATOM 430 N ALA A 44 9.590 1.813 -6.119 1.00 0.00 N ATOM 431 CA ALA A 44 8.908 2.476 -7.263 1.00 0.00 C ATOM 432 C ALA A 44 8.314 3.815 -6.819 1.00 0.00 C ATOM 433 O ALA A 44 8.775 4.871 -7.204 1.00 0.00 O ATOM 434 CB ALA A 44 7.799 1.500 -7.659 1.00 0.00 C ATOM 0 H ALA A 44 9.124 1.918 -5.218 1.00 0.00 H new ATOM 0 HA ALA A 44 9.585 2.692 -8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.239 1.908 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.240 0.545 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.127 1.351 -6.814 1.00 0.00 H new ATOM 440 N GLY A 45 7.290 3.778 -6.010 1.00 0.00 N ATOM 441 CA GLY A 45 6.663 5.045 -5.539 1.00 0.00 C ATOM 442 C GLY A 45 5.140 4.903 -5.570 1.00 0.00 C ATOM 443 O GLY A 45 4.441 5.738 -6.108 1.00 0.00 O ATOM 0 H GLY A 45 6.860 2.924 -5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.997 5.274 -4.527 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.974 5.875 -6.173 1.00 0.00 H new ATOM 447 N PHE A 46 4.620 3.853 -4.992 1.00 0.00 N ATOM 448 CA PHE A 46 3.125 3.670 -4.992 1.00 0.00 C ATOM 449 C PHE A 46 2.494 4.480 -3.856 1.00 0.00 C ATOM 450 O PHE A 46 1.314 4.377 -3.587 1.00 0.00 O ATOM 451 CB PHE A 46 2.866 2.174 -4.762 1.00 0.00 C ATOM 452 CG PHE A 46 3.786 1.353 -5.623 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.063 1.072 -5.165 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.367 0.876 -6.871 1.00 0.00 C ATOM 455 CE1 PHE A 46 5.940 0.323 -5.935 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.245 0.117 -7.655 1.00 0.00 C ATOM 457 CZ PHE A 46 5.537 -0.160 -7.186 1.00 0.00 C ATOM 0 H PHE A 46 5.151 3.119 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 46 2.691 4.011 -5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.021 1.927 -3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.828 1.936 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.378 1.440 -4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.371 1.092 -7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.934 0.112 -5.570 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.928 -0.254 -8.618 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.219 -0.744 -7.787 1.00 0.00 H new ATOM 467 N HIS A 47 3.274 5.275 -3.184 1.00 0.00 N ATOM 468 CA HIS A 47 2.730 6.084 -2.053 1.00 0.00 C ATOM 469 C HIS A 47 1.738 7.146 -2.546 1.00 0.00 C ATOM 470 O HIS A 47 1.984 8.326 -2.424 1.00 0.00 O ATOM 471 CB HIS A 47 3.957 6.750 -1.431 1.00 0.00 C ATOM 472 CG HIS A 47 4.705 7.521 -2.484 1.00 0.00 C ATOM 473 ND1 HIS A 47 4.255 7.620 -3.792 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.878 8.233 -2.436 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.146 8.365 -4.472 1.00 0.00 C ATOM 476 NE2 HIS A 47 6.153 8.765 -3.693 1.00 0.00 N ATOM 0 H HIS A 47 4.269 5.403 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 47 2.180 5.465 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.651 7.418 -0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.607 5.995 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.493 8.361 -1.558 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.057 8.609 -5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 47 6.953 9.338 -3.961 1.00 0.00 H new ATOM 484 N THR A 48 0.613 6.737 -3.084 1.00 0.00 N ATOM 485 CA THR A 48 -0.408 7.733 -3.565 1.00 0.00 C ATOM 486 C THR A 48 -1.454 7.075 -4.472 1.00 0.00 C ATOM 487 O THR A 48 -1.394 7.182 -5.681 1.00 0.00 O ATOM 488 CB THR A 48 0.352 8.802 -4.363 1.00 0.00 C ATOM 489 OG1 THR A 48 1.632 8.319 -4.747 1.00 0.00 O ATOM 490 CG2 THR A 48 0.504 10.067 -3.515 1.00 0.00 C ATOM 0 H THR A 48 0.355 5.759 -3.212 1.00 0.00 H new ATOM 0 HA THR A 48 -0.937 8.158 -2.712 1.00 0.00 H new ATOM 0 HB THR A 48 -0.214 9.037 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.301 8.608 -4.092 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.044 10.824 -4.084 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.482 10.448 -3.249 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.059 9.832 -2.607 1.00 0.00 H new ATOM 498 N VAL A 49 -2.424 6.414 -3.900 1.00 0.00 N ATOM 499 CA VAL A 49 -3.491 5.770 -4.727 1.00 0.00 C ATOM 500 C VAL A 49 -2.926 4.655 -5.617 1.00 0.00 C ATOM 501 O VAL A 49 -3.650 4.028 -6.364 1.00 0.00 O ATOM 502 CB VAL A 49 -4.060 6.902 -5.589 1.00 0.00 C ATOM 503 CG1 VAL A 49 -5.402 6.468 -6.183 1.00 0.00 C ATOM 504 CG2 VAL A 49 -4.270 8.146 -4.723 1.00 0.00 C ATOM 0 H VAL A 49 -2.526 6.291 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.247 5.299 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.361 7.130 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.806 7.274 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.257 5.581 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.100 6.240 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.675 8.952 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.969 7.916 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.316 8.458 -4.297 1.00 0.00 H new ATOM 514 N GLU A 50 -1.651 4.390 -5.545 1.00 0.00 N ATOM 515 CA GLU A 50 -1.076 3.307 -6.390 1.00 0.00 C ATOM 516 C GLU A 50 -1.110 1.980 -5.628 1.00 0.00 C ATOM 517 O GLU A 50 -0.856 0.928 -6.180 1.00 0.00 O ATOM 518 CB GLU A 50 0.365 3.739 -6.661 1.00 0.00 C ATOM 519 CG GLU A 50 0.741 3.394 -8.103 1.00 0.00 C ATOM 520 CD GLU A 50 1.187 4.662 -8.831 1.00 0.00 C ATOM 521 OE1 GLU A 50 0.331 5.349 -9.362 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.378 4.925 -8.844 1.00 0.00 O ATOM 0 H GLU A 50 -0.986 4.873 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.633 3.158 -7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.472 4.811 -6.493 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.042 3.239 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.542 2.655 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.111 2.948 -8.616 1.00 0.00 H new ATOM 529 N ALA A 51 -1.422 2.027 -4.361 1.00 0.00 N ATOM 530 CA ALA A 51 -1.472 0.775 -3.552 1.00 0.00 C ATOM 531 C ALA A 51 -2.278 -0.302 -4.286 1.00 0.00 C ATOM 532 O ALA A 51 -2.015 -1.481 -4.158 1.00 0.00 O ATOM 533 CB ALA A 51 -2.165 1.176 -2.251 1.00 0.00 C ATOM 0 H ALA A 51 -1.645 2.881 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.481 0.357 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.242 0.307 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.585 1.954 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.163 1.553 -2.472 1.00 0.00 H new ATOM 539 N VAL A 52 -3.251 0.094 -5.061 1.00 0.00 N ATOM 540 CA VAL A 52 -4.063 -0.912 -5.806 1.00 0.00 C ATOM 541 C VAL A 52 -4.577 -0.311 -7.117 1.00 0.00 C ATOM 542 O VAL A 52 -5.739 -0.434 -7.453 1.00 0.00 O ATOM 543 CB VAL A 52 -5.227 -1.264 -4.875 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.275 -0.145 -4.903 1.00 0.00 C ATOM 545 CG2 VAL A 52 -5.867 -2.572 -5.343 1.00 0.00 C ATOM 0 H VAL A 52 -3.519 1.067 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.481 -1.795 -6.071 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.854 -1.378 -3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.100 -0.402 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.820 0.788 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.651 -0.024 -5.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.696 -2.828 -4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.237 -2.452 -6.361 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.125 -3.370 -5.318 1.00 0.00 H new ATOM 555 N ALA A 53 -3.723 0.338 -7.861 1.00 0.00 N ATOM 556 CA ALA A 53 -4.167 0.947 -9.148 1.00 0.00 C ATOM 557 C ALA A 53 -2.995 1.030 -10.133 1.00 0.00 C ATOM 558 O ALA A 53 -2.802 2.028 -10.798 1.00 0.00 O ATOM 559 CB ALA A 53 -4.659 2.346 -8.774 1.00 0.00 C ATOM 0 H ALA A 53 -2.738 0.473 -7.634 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.944 0.359 -9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.004 2.862 -9.670 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.481 2.265 -8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.843 2.910 -8.322 1.00 0.00 H new ATOM 565 N TYR A 54 -2.217 -0.013 -10.233 1.00 0.00 N ATOM 566 CA TYR A 54 -1.061 0.005 -11.177 1.00 0.00 C ATOM 567 C TYR A 54 -0.384 -1.371 -11.204 1.00 0.00 C ATOM 568 O TYR A 54 -0.019 -1.872 -12.250 1.00 0.00 O ATOM 569 CB TYR A 54 -0.113 1.068 -10.624 1.00 0.00 C ATOM 570 CG TYR A 54 0.357 1.965 -11.747 1.00 0.00 C ATOM 571 CD1 TYR A 54 1.278 1.484 -12.687 1.00 0.00 C ATOM 572 CD2 TYR A 54 -0.128 3.274 -11.849 1.00 0.00 C ATOM 573 CE1 TYR A 54 1.714 2.314 -13.727 1.00 0.00 C ATOM 574 CE2 TYR A 54 0.310 4.104 -12.889 1.00 0.00 C ATOM 575 CZ TYR A 54 1.229 3.623 -13.827 1.00 0.00 C ATOM 576 OH TYR A 54 1.660 4.442 -14.853 1.00 0.00 O ATOM 0 H TYR A 54 -2.331 -0.877 -9.703 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.362 0.229 -12.200 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.619 1.659 -9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.742 0.592 -10.143 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.651 0.474 -12.609 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.840 3.644 -11.126 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.424 1.944 -14.452 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.062 5.115 -12.966 1.00 0.00 H new ATOM 0 HH TYR A 54 1.226 5.317 -14.777 1.00 0.00 H new ATOM 586 N ALA A 55 -0.216 -1.986 -10.065 1.00 0.00 N ATOM 587 CA ALA A 55 0.432 -3.331 -10.026 1.00 0.00 C ATOM 588 C ALA A 55 -0.190 -4.184 -8.916 1.00 0.00 C ATOM 589 O ALA A 55 -0.768 -3.660 -7.985 1.00 0.00 O ATOM 590 CB ALA A 55 1.908 -3.055 -9.728 1.00 0.00 C ATOM 0 H ALA A 55 -0.499 -1.616 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 55 0.302 -3.879 -10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.453 -3.998 -9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.328 -2.430 -10.517 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.996 -2.540 -8.772 1.00 0.00 H new ATOM 596 N PRO A 56 -0.048 -5.476 -9.054 1.00 0.00 N ATOM 597 CA PRO A 56 -0.599 -6.411 -8.043 1.00 0.00 C ATOM 598 C PRO A 56 0.216 -6.324 -6.751 1.00 0.00 C ATOM 599 O PRO A 56 1.416 -6.514 -6.752 1.00 0.00 O ATOM 600 CB PRO A 56 -0.446 -7.781 -8.698 1.00 0.00 C ATOM 601 CG PRO A 56 0.673 -7.615 -9.676 1.00 0.00 C ATOM 602 CD PRO A 56 0.636 -6.183 -10.143 1.00 0.00 C ATOM 0 HA PRO A 56 -1.632 -6.195 -7.769 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.215 -8.549 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.366 -8.085 -9.197 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.631 -7.845 -9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.556 -8.299 -10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.639 -5.790 -10.307 1.00 0.00 H new ATOM 0 HD3 PRO A 56 0.097 -6.083 -11.085 1.00 0.00 H new ATOM 610 N LYS A 57 -0.426 -6.028 -5.656 1.00 0.00 N ATOM 611 CA LYS A 57 0.308 -5.916 -4.363 1.00 0.00 C ATOM 612 C LYS A 57 1.375 -7.008 -4.243 1.00 0.00 C ATOM 613 O LYS A 57 2.365 -6.833 -3.570 1.00 0.00 O ATOM 614 CB LYS A 57 -0.760 -6.091 -3.282 1.00 0.00 C ATOM 615 CG LYS A 57 -1.577 -7.353 -3.564 1.00 0.00 C ATOM 616 CD LYS A 57 -2.742 -7.439 -2.574 1.00 0.00 C ATOM 617 CE LYS A 57 -3.938 -8.113 -3.249 1.00 0.00 C ATOM 618 NZ LYS A 57 -4.482 -7.085 -4.180 1.00 0.00 N ATOM 0 H LYS A 57 -1.430 -5.858 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 57 0.829 -4.963 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.290 -6.162 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.415 -5.220 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.955 -7.333 -4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.944 -8.236 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.442 -8.005 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.018 -6.441 -2.234 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.634 -9.011 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.685 -8.418 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.514 -7.190 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.254 -6.136 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.058 -7.210 -5.121 1.00 0.00 H new ATOM 632 N LYS A 58 1.181 -8.129 -4.884 1.00 0.00 N ATOM 633 CA LYS A 58 2.193 -9.228 -4.792 1.00 0.00 C ATOM 634 C LYS A 58 3.432 -8.900 -5.636 1.00 0.00 C ATOM 635 O LYS A 58 4.518 -9.379 -5.380 1.00 0.00 O ATOM 636 CB LYS A 58 1.483 -10.461 -5.356 1.00 0.00 C ATOM 637 CG LYS A 58 0.939 -11.316 -4.210 1.00 0.00 C ATOM 638 CD LYS A 58 0.560 -12.698 -4.743 1.00 0.00 C ATOM 639 CE LYS A 58 1.830 -13.499 -5.039 1.00 0.00 C ATOM 640 NZ LYS A 58 1.476 -14.912 -4.722 1.00 0.00 N ATOM 0 H LYS A 58 0.369 -8.334 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 58 2.540 -9.377 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.668 -10.154 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.176 -11.046 -5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.689 -11.410 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.069 -10.835 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.053 -13.225 -4.012 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.039 -12.598 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.131 -13.392 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.665 -13.155 -4.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.298 -15.524 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.200 -14.985 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.683 -15.214 -5.323 1.00 0.00 H new ATOM 654 N GLU A 59 3.275 -8.093 -6.641 1.00 0.00 N ATOM 655 CA GLU A 59 4.443 -7.746 -7.508 1.00 0.00 C ATOM 656 C GLU A 59 5.313 -6.691 -6.836 1.00 0.00 C ATOM 657 O GLU A 59 6.451 -6.938 -6.500 1.00 0.00 O ATOM 658 CB GLU A 59 3.838 -7.206 -8.805 1.00 0.00 C ATOM 659 CG GLU A 59 4.914 -6.472 -9.608 1.00 0.00 C ATOM 660 CD GLU A 59 6.135 -7.379 -9.778 1.00 0.00 C ATOM 661 OE1 GLU A 59 5.957 -8.501 -10.224 1.00 0.00 O ATOM 662 OE2 GLU A 59 7.227 -6.937 -9.462 1.00 0.00 O ATOM 0 H GLU A 59 2.392 -7.656 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 59 5.085 -8.608 -7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.426 -8.025 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.014 -6.529 -8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.522 -6.186 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.200 -5.552 -9.097 1.00 0.00 H new ATOM 669 N LEU A 60 4.798 -5.519 -6.626 1.00 0.00 N ATOM 670 CA LEU A 60 5.610 -4.482 -5.968 1.00 0.00 C ATOM 671 C LEU A 60 6.253 -5.088 -4.723 1.00 0.00 C ATOM 672 O LEU A 60 7.457 -5.115 -4.595 1.00 0.00 O ATOM 673 CB LEU A 60 4.600 -3.351 -5.664 1.00 0.00 C ATOM 674 CG LEU A 60 4.573 -2.981 -4.174 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.973 -2.597 -3.717 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.630 -1.793 -3.972 1.00 0.00 C ATOM 0 H LEU A 60 3.851 -5.239 -6.883 1.00 0.00 H new ATOM 0 HA LEU A 60 6.436 -4.092 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.857 -2.469 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.604 -3.662 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 60 4.225 -3.834 -3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.951 -2.335 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.649 -3.439 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.323 -1.742 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.605 -1.524 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.985 -0.943 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.627 -2.065 -4.301 1.00 0.00 H new ATOM 688 N ILE A 61 5.476 -5.586 -3.808 1.00 0.00 N ATOM 689 CA ILE A 61 6.080 -6.180 -2.588 1.00 0.00 C ATOM 690 C ILE A 61 7.216 -7.109 -2.991 1.00 0.00 C ATOM 691 O ILE A 61 8.193 -7.251 -2.285 1.00 0.00 O ATOM 692 CB ILE A 61 4.965 -6.963 -1.925 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.478 -8.046 -2.890 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.820 -6.015 -1.555 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.407 -9.258 -2.793 1.00 0.00 C ATOM 0 H ILE A 61 4.457 -5.608 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 61 6.490 -5.426 -1.916 1.00 0.00 H new ATOM 0 HB ILE A 61 5.329 -7.435 -1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.456 -8.335 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.466 -7.663 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.019 -6.580 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.186 -5.254 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.439 -5.536 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.066 -10.034 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.422 -8.961 -3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.396 -9.644 -1.774 1.00 0.00 H new ATOM 707 N ASN A 62 7.101 -7.735 -4.130 1.00 0.00 N ATOM 708 CA ASN A 62 8.190 -8.643 -4.572 1.00 0.00 C ATOM 709 C ASN A 62 9.531 -7.915 -4.479 1.00 0.00 C ATOM 710 O ASN A 62 10.574 -8.535 -4.519 1.00 0.00 O ATOM 711 CB ASN A 62 7.867 -8.994 -6.026 1.00 0.00 C ATOM 712 CG ASN A 62 8.424 -10.382 -6.356 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.454 -10.500 -6.989 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.781 -11.444 -5.954 1.00 0.00 N ATOM 0 H ASN A 62 6.308 -7.657 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 62 8.260 -9.539 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.789 -8.977 -6.184 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.299 -8.249 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.143 -12.372 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.916 -11.346 -5.422 1.00 0.00 H new ATOM 721 N ILE A 63 9.526 -6.602 -4.357 1.00 0.00 N ATOM 722 CA ILE A 63 10.809 -5.868 -4.261 1.00 0.00 C ATOM 723 C ILE A 63 11.674 -6.408 -3.112 1.00 0.00 C ATOM 724 O ILE A 63 12.081 -7.553 -3.117 1.00 0.00 O ATOM 725 CB ILE A 63 10.368 -4.439 -4.006 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.416 -4.400 -2.791 1.00 0.00 C ATOM 727 CG2 ILE A 63 9.661 -3.914 -5.260 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.815 -3.009 -2.663 1.00 0.00 C ATOM 0 H ILE A 63 8.688 -6.022 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 63 11.430 -5.967 -5.151 1.00 0.00 H new ATOM 0 HB ILE A 63 11.231 -3.810 -3.787 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.625 -5.140 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.959 -4.659 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.338 -2.887 -5.092 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.349 -3.945 -6.105 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.793 -4.537 -5.476 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.143 -2.981 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.613 -2.279 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.258 -2.768 -3.569 1.00 0.00 H new ATOM 740 N LYS A 64 11.968 -5.590 -2.137 1.00 0.00 N ATOM 741 CA LYS A 64 12.813 -6.047 -0.993 1.00 0.00 C ATOM 742 C LYS A 64 12.480 -7.492 -0.621 1.00 0.00 C ATOM 743 O LYS A 64 13.316 -8.229 -0.137 1.00 0.00 O ATOM 744 CB LYS A 64 12.463 -5.106 0.159 1.00 0.00 C ATOM 745 CG LYS A 64 13.650 -5.018 1.121 1.00 0.00 C ATOM 746 CD LYS A 64 14.359 -3.675 0.935 1.00 0.00 C ATOM 747 CE LYS A 64 15.709 -3.902 0.249 1.00 0.00 C ATOM 748 NZ LYS A 64 15.396 -4.014 -1.204 1.00 0.00 N ATOM 0 H LYS A 64 11.658 -4.620 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 64 13.875 -6.022 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.219 -4.116 -0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.580 -5.470 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.306 -5.120 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.345 -5.837 0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.742 -3.006 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 14.506 -3.192 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.392 -3.075 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.191 -4.807 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.686 -4.951 -1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.373 -3.892 -1.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.910 -3.277 -1.728 1.00 0.00 H new ATOM 762 N GLY A 65 11.265 -7.903 -0.850 1.00 0.00 N ATOM 763 CA GLY A 65 10.881 -9.301 -0.515 1.00 0.00 C ATOM 764 C GLY A 65 9.684 -9.290 0.433 1.00 0.00 C ATOM 765 O GLY A 65 9.667 -9.983 1.430 1.00 0.00 O ATOM 0 H GLY A 65 10.522 -7.332 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.633 -9.848 -1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.721 -9.818 -0.051 1.00 0.00 H new ATOM 769 N ILE A 66 8.677 -8.518 0.126 1.00 0.00 N ATOM 770 CA ILE A 66 7.485 -8.485 1.015 1.00 0.00 C ATOM 771 C ILE A 66 6.314 -9.202 0.341 1.00 0.00 C ATOM 772 O ILE A 66 6.491 -10.132 -0.420 1.00 0.00 O ATOM 773 CB ILE A 66 7.108 -7.007 1.263 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.214 -6.023 0.849 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.854 -6.837 2.753 1.00 0.00 C ATOM 776 CD1 ILE A 66 7.584 -4.661 0.539 1.00 0.00 C ATOM 0 H ILE A 66 8.629 -7.914 -0.695 1.00 0.00 H new ATOM 0 HA ILE A 66 7.708 -8.985 1.958 1.00 0.00 H new ATOM 0 HB ILE A 66 6.230 -6.782 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.948 -5.924 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.744 -6.400 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.585 -5.801 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.039 -7.492 3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.756 -7.096 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.363 -3.958 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.866 -4.769 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.073 -4.286 1.426 1.00 0.00 H new ATOM 788 N SER A 67 5.120 -8.763 0.628 1.00 0.00 N ATOM 789 CA SER A 67 3.899 -9.374 0.030 1.00 0.00 C ATOM 790 C SER A 67 2.694 -8.728 0.698 1.00 0.00 C ATOM 791 O SER A 67 2.682 -7.534 0.952 1.00 0.00 O ATOM 792 CB SER A 67 3.974 -10.862 0.371 1.00 0.00 C ATOM 793 OG SER A 67 2.783 -11.503 -0.064 1.00 0.00 O ATOM 0 H SER A 67 4.935 -7.989 1.266 1.00 0.00 H new ATOM 0 HA SER A 67 3.822 -9.233 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.841 -11.314 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.101 -10.995 1.445 1.00 0.00 H new ATOM 0 HG SER A 67 2.828 -12.458 0.151 1.00 0.00 H new ATOM 799 N GLU A 68 1.702 -9.495 1.035 1.00 0.00 N ATOM 800 CA GLU A 68 0.546 -8.903 1.737 1.00 0.00 C ATOM 801 C GLU A 68 1.078 -8.215 3.001 1.00 0.00 C ATOM 802 O GLU A 68 0.436 -7.364 3.581 1.00 0.00 O ATOM 803 CB GLU A 68 -0.355 -10.107 2.058 1.00 0.00 C ATOM 804 CG GLU A 68 -1.048 -9.922 3.409 1.00 0.00 C ATOM 805 CD GLU A 68 -0.308 -10.728 4.477 1.00 0.00 C ATOM 806 OE1 GLU A 68 0.733 -10.271 4.921 1.00 0.00 O ATOM 807 OE2 GLU A 68 -0.793 -11.788 4.832 1.00 0.00 O ATOM 0 H GLU A 68 1.644 -10.497 0.855 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.007 -8.154 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.103 -10.227 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.241 -11.020 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.063 -8.866 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.086 -10.249 3.345 1.00 0.00 H new ATOM 814 N ALA A 69 2.263 -8.587 3.422 1.00 0.00 N ATOM 815 CA ALA A 69 2.866 -7.975 4.637 1.00 0.00 C ATOM 816 C ALA A 69 2.744 -6.454 4.603 1.00 0.00 C ATOM 817 O ALA A 69 1.897 -5.871 5.247 1.00 0.00 O ATOM 818 CB ALA A 69 4.336 -8.392 4.595 1.00 0.00 C ATOM 0 H ALA A 69 2.840 -9.295 2.968 1.00 0.00 H new ATOM 0 HA ALA A 69 2.365 -8.303 5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.856 -7.980 5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.406 -9.480 4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.796 -8.014 3.682 1.00 0.00 H new ATOM 824 N LYS A 70 3.599 -5.809 3.867 1.00 0.00 N ATOM 825 CA LYS A 70 3.559 -4.327 3.793 1.00 0.00 C ATOM 826 C LYS A 70 2.364 -3.862 2.959 1.00 0.00 C ATOM 827 O LYS A 70 1.549 -3.075 3.404 1.00 0.00 O ATOM 828 CB LYS A 70 4.873 -3.951 3.110 1.00 0.00 C ATOM 829 CG LYS A 70 5.998 -3.847 4.148 1.00 0.00 C ATOM 830 CD LYS A 70 5.980 -5.064 5.083 1.00 0.00 C ATOM 831 CE LYS A 70 5.015 -4.812 6.248 1.00 0.00 C ATOM 832 NZ LYS A 70 5.751 -5.246 7.465 1.00 0.00 N ATOM 0 H LYS A 70 4.330 -6.249 3.309 1.00 0.00 H new ATOM 0 HA LYS A 70 3.449 -3.861 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.128 -4.699 2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.761 -3.001 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.962 -3.783 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.881 -2.932 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.674 -5.953 4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.983 -5.255 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.738 -3.759 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.092 -5.378 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.077 -5.620 8.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.434 -5.988 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.257 -4.434 7.872 1.00 0.00 H new ATOM 846 N ALA A 71 2.252 -4.332 1.750 1.00 0.00 N ATOM 847 CA ALA A 71 1.112 -3.894 0.892 1.00 0.00 C ATOM 848 C ALA A 71 -0.224 -4.041 1.627 1.00 0.00 C ATOM 849 O ALA A 71 -0.855 -3.069 1.987 1.00 0.00 O ATOM 850 CB ALA A 71 1.151 -4.808 -0.330 1.00 0.00 C ATOM 0 H ALA A 71 2.894 -4.996 1.318 1.00 0.00 H new ATOM 0 HA ALA A 71 1.200 -2.842 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.339 -4.544 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.105 -4.689 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.036 -5.845 -0.013 1.00 0.00 H new ATOM 856 N ASP A 72 -0.670 -5.247 1.830 1.00 0.00 N ATOM 857 CA ASP A 72 -1.980 -5.449 2.515 1.00 0.00 C ATOM 858 C ASP A 72 -2.113 -4.552 3.747 1.00 0.00 C ATOM 859 O ASP A 72 -3.090 -3.847 3.900 1.00 0.00 O ATOM 860 CB ASP A 72 -1.997 -6.920 2.919 1.00 0.00 C ATOM 861 CG ASP A 72 -3.430 -7.449 2.862 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.162 -7.028 1.981 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.773 -8.266 3.701 1.00 0.00 O ATOM 0 H ASP A 72 -0.187 -6.102 1.553 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.813 -5.190 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.358 -7.499 2.252 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.595 -7.036 3.926 1.00 0.00 H new ATOM 868 N LYS A 73 -1.158 -4.577 4.637 1.00 0.00 N ATOM 869 CA LYS A 73 -1.272 -3.724 5.854 1.00 0.00 C ATOM 870 C LYS A 73 -1.770 -2.327 5.477 1.00 0.00 C ATOM 871 O LYS A 73 -2.440 -1.668 6.248 1.00 0.00 O ATOM 872 CB LYS A 73 0.135 -3.644 6.445 1.00 0.00 C ATOM 873 CG LYS A 73 0.112 -2.718 7.664 1.00 0.00 C ATOM 874 CD LYS A 73 -0.009 -3.550 8.943 1.00 0.00 C ATOM 875 CE LYS A 73 -1.485 -3.699 9.312 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.791 -5.142 9.106 1.00 0.00 N ATOM 0 H LYS A 73 -0.313 -5.145 4.576 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.982 -4.139 6.569 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.479 -4.637 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.836 -3.268 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.022 -2.118 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.725 -2.024 7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.442 -4.532 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.534 -3.069 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.665 -3.401 10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.114 -3.069 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.821 -5.284 9.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.414 -5.449 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.352 -5.702 9.864 1.00 0.00 H new ATOM 890 N ILE A 74 -1.456 -1.868 4.294 1.00 0.00 N ATOM 891 CA ILE A 74 -1.925 -0.511 3.885 1.00 0.00 C ATOM 892 C ILE A 74 -3.409 -0.564 3.505 1.00 0.00 C ATOM 893 O ILE A 74 -4.169 0.337 3.799 1.00 0.00 O ATOM 894 CB ILE A 74 -1.044 -0.116 2.685 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.789 1.394 2.728 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.734 -0.474 1.359 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.196 1.855 1.394 1.00 0.00 C ATOM 0 H ILE A 74 -0.901 -2.368 3.600 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.838 0.221 4.688 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.103 -0.663 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.720 1.924 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.106 1.634 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.093 -0.186 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.916 -1.548 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.683 0.058 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.016 2.929 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.745 1.335 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.894 1.629 0.588 1.00 0.00 H new ATOM 909 N LEU A 75 -3.822 -1.613 2.851 1.00 0.00 N ATOM 910 CA LEU A 75 -5.253 -1.726 2.450 1.00 0.00 C ATOM 911 C LEU A 75 -6.140 -1.842 3.691 1.00 0.00 C ATOM 912 O LEU A 75 -7.333 -1.617 3.637 1.00 0.00 O ATOM 913 CB LEU A 75 -5.330 -3.005 1.614 1.00 0.00 C ATOM 914 CG LEU A 75 -6.059 -2.728 0.296 1.00 0.00 C ATOM 915 CD1 LEU A 75 -7.417 -2.077 0.578 1.00 0.00 C ATOM 916 CD2 LEU A 75 -5.213 -1.795 -0.573 1.00 0.00 C ATOM 0 H LEU A 75 -3.231 -2.398 2.576 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.597 -0.854 1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.326 -3.378 1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.853 -3.782 2.171 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.216 -3.670 -0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.930 -1.883 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.022 -2.747 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.267 -1.137 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.734 -1.599 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.050 -0.855 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.252 -2.265 -0.783 1.00 0.00 H new ATOM 928 N ALA A 76 -5.567 -2.188 4.811 1.00 0.00 N ATOM 929 CA ALA A 76 -6.378 -2.315 6.055 1.00 0.00 C ATOM 930 C ALA A 76 -6.604 -0.934 6.675 1.00 0.00 C ATOM 931 O ALA A 76 -7.724 -0.524 6.910 1.00 0.00 O ATOM 932 CB ALA A 76 -5.542 -3.191 6.987 1.00 0.00 C ATOM 0 H ALA A 76 -4.573 -2.388 4.919 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.361 -2.747 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.073 -3.331 7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.371 -4.160 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.585 -2.707 7.180 1.00 0.00 H new ATOM 938 N GLU A 77 -5.548 -0.214 6.939 1.00 0.00 N ATOM 939 CA GLU A 77 -5.703 1.142 7.540 1.00 0.00 C ATOM 940 C GLU A 77 -6.281 2.116 6.513 1.00 0.00 C ATOM 941 O GLU A 77 -7.055 2.992 6.840 1.00 0.00 O ATOM 942 CB GLU A 77 -4.286 1.558 7.936 1.00 0.00 C ATOM 943 CG GLU A 77 -3.700 0.524 8.896 1.00 0.00 C ATOM 944 CD GLU A 77 -3.523 1.154 10.278 1.00 0.00 C ATOM 945 OE1 GLU A 77 -2.506 1.794 10.489 1.00 0.00 O ATOM 946 OE2 GLU A 77 -4.406 0.984 11.103 1.00 0.00 O ATOM 0 H GLU A 77 -4.586 -0.505 6.765 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.384 1.142 8.391 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.659 1.642 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.303 2.540 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.359 -0.342 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.741 0.167 8.522 1.00 0.00 H new ATOM 953 N ALA A 78 -5.912 1.975 5.272 1.00 0.00 N ATOM 954 CA ALA A 78 -6.442 2.903 4.232 1.00 0.00 C ATOM 955 C ALA A 78 -7.938 2.663 4.014 1.00 0.00 C ATOM 956 O ALA A 78 -8.682 3.572 3.704 1.00 0.00 O ATOM 957 CB ALA A 78 -5.651 2.564 2.968 1.00 0.00 C ATOM 0 H ALA A 78 -5.269 1.260 4.932 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.333 3.950 4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.980 3.205 2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.588 2.725 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.820 1.520 2.702 1.00 0.00 H new ATOM 963 N ALA A 79 -8.382 1.444 4.163 1.00 0.00 N ATOM 964 CA ALA A 79 -9.829 1.144 3.949 1.00 0.00 C ATOM 965 C ALA A 79 -10.643 1.393 5.224 1.00 0.00 C ATOM 966 O ALA A 79 -11.852 1.505 5.179 1.00 0.00 O ATOM 967 CB ALA A 79 -9.868 -0.338 3.578 1.00 0.00 C ATOM 0 H ALA A 79 -7.807 0.643 4.423 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.263 1.782 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.900 -0.642 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.283 -0.502 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.449 -0.928 4.393 1.00 0.00 H new ATOM 973 N LYS A 80 -10.004 1.470 6.360 1.00 0.00 N ATOM 974 CA LYS A 80 -10.771 1.698 7.621 1.00 0.00 C ATOM 975 C LYS A 80 -10.299 2.972 8.327 1.00 0.00 C ATOM 976 O LYS A 80 -10.879 3.395 9.307 1.00 0.00 O ATOM 977 CB LYS A 80 -10.482 0.472 8.487 1.00 0.00 C ATOM 978 CG LYS A 80 -11.478 -0.641 8.148 1.00 0.00 C ATOM 979 CD LYS A 80 -12.335 -0.951 9.379 1.00 0.00 C ATOM 980 CE LYS A 80 -13.672 -1.545 8.934 1.00 0.00 C ATOM 981 NZ LYS A 80 -14.684 -0.506 9.270 1.00 0.00 N ATOM 0 H LYS A 80 -8.994 1.386 6.471 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.836 1.827 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.462 0.126 8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.558 0.733 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.113 -0.335 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.945 -1.536 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.813 -1.651 10.031 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.503 -0.042 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.671 -1.765 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.880 -2.481 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.629 -0.840 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.667 -0.323 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.464 0.372 8.757 1.00 0.00 H new ATOM 995 N LEU A 81 -9.255 3.589 7.847 1.00 0.00 N ATOM 996 CA LEU A 81 -8.764 4.831 8.514 1.00 0.00 C ATOM 997 C LEU A 81 -8.613 5.969 7.496 1.00 0.00 C ATOM 998 O LEU A 81 -8.598 7.129 7.854 1.00 0.00 O ATOM 999 CB LEU A 81 -7.406 4.459 9.114 1.00 0.00 C ATOM 1000 CG LEU A 81 -7.462 4.603 10.635 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -8.065 5.959 10.999 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -8.330 3.486 11.217 1.00 0.00 C ATOM 0 H LEU A 81 -8.723 3.292 7.029 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.460 5.184 9.275 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.146 3.435 8.845 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.628 5.104 8.706 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.454 4.534 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.104 6.060 12.084 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.448 6.755 10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.073 6.030 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.372 3.586 12.302 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.337 3.557 10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.900 2.519 10.958 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.499 5.652 6.233 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.350 6.729 5.212 1.00 0.00 C ATOM 1016 C VAL A 82 -9.304 6.488 4.038 1.00 0.00 C ATOM 1017 O VAL A 82 -8.889 6.064 2.978 1.00 0.00 O ATOM 1018 CB VAL A 82 -6.896 6.640 4.749 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.563 7.854 3.879 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -5.971 6.620 5.970 1.00 0.00 C ATOM 0 H VAL A 82 -8.503 4.700 5.866 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.590 7.713 5.616 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.755 5.727 4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.526 7.791 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.221 7.870 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.705 8.766 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.934 6.557 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.112 7.533 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.207 5.756 6.591 1.00 0.00 H new