USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 134:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.08 USER MOD Set 2.1: A 22 THR OG1 : rot -46:sc= -0.134 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.11 K(o=0.97,f=-6.5!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -170:sc= 1.54 (180deg=0.182) USER MOD Set 4.2: A 12 THR OG1 : rot 160:sc= 0.846 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.177 (180deg=-0.383) USER MOD Single : A 1 MET N :NH3+ -161:sc= 1.23 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.24 (180deg=1.14) USER MOD Single : A 14 THR OG1 : rot -72:sc= 0.107 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -141:sc= 1.64 (180deg=0.338) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 41 GLN : amide:sc= 0.817 K(o=0.82,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00528 K(o=-0.0053,f=-2.9!) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.831 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 63:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.367 -6.630 -5.442 1.00 9.67 N ATOM 2 CA MET A 1 11.454 -6.613 -3.990 1.00 10.38 C ATOM 3 C MET A 1 10.161 -7.148 -3.430 1.00 9.62 C ATOM 4 O MET A 1 9.102 -7.015 -4.026 1.00 9.62 O ATOM 5 CB MET A 1 11.758 -5.176 -3.505 1.00 13.77 C ATOM 6 CG MET A 1 11.567 -4.847 -2.024 1.00 16.29 C ATOM 7 SD MET A 1 11.812 -3.077 -1.589 1.00 17.17 S ATOM 8 CE MET A 1 10.284 -2.429 -2.361 1.00 16.11 C ATOM 0 H1 MET A 1 12.323 -6.579 -5.848 1.00 9.67 H new ATOM 0 H2 MET A 1 10.906 -7.509 -5.752 1.00 9.67 H new ATOM 0 H3 MET A 1 10.810 -5.814 -5.766 1.00 9.67 H new ATOM 0 HA MET A 1 12.267 -7.247 -3.637 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.793 -4.952 -3.763 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.131 -4.493 -4.079 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.561 -5.144 -1.727 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.262 -5.450 -1.440 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.139 -1.390 -2.064 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.371 -2.488 -3.446 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.431 -3.023 -2.033 1.00 16.11 H new ATOM 20 N GLN A 2 10.215 -7.765 -2.245 1.00 9.27 N ATOM 21 CA GLN A 2 9.016 -8.378 -1.630 1.00 9.07 C ATOM 22 C GLN A 2 8.512 -7.651 -0.453 1.00 8.72 C ATOM 23 O GLN A 2 9.251 -7.390 0.503 1.00 8.22 O ATOM 24 CB GLN A 2 9.256 -9.927 -1.315 1.00 14.46 C ATOM 25 CG GLN A 2 7.893 -10.566 -0.838 1.00 17.01 C ATOM 26 CD GLN A 2 7.981 -12.090 -0.672 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.940 -12.841 -1.643 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.200 -12.565 0.576 1.00 19.49 N ATOM 0 H GLN A 2 11.066 -7.857 -1.690 1.00 9.27 H new ATOM 0 HA GLN A 2 8.224 -8.300 -2.375 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.623 -10.440 -2.204 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.017 -10.042 -0.543 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.598 -10.117 0.111 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.112 -10.327 -1.560 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.230 -11.923 1.368 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.335 -13.565 0.725 1.00 19.49 H new ATOM 37 N ILE A 3 7.175 -7.308 -0.393 1.00 5.87 N ATOM 38 CA ILE A 3 6.506 -6.717 0.734 1.00 5.07 C ATOM 39 C ILE A 3 5.226 -7.447 1.028 1.00 4.01 C ATOM 40 O ILE A 3 4.844 -8.329 0.222 1.00 4.61 O ATOM 41 CB ILE A 3 6.201 -5.233 0.590 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.209 -4.895 -0.511 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.554 -4.461 0.386 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.830 -3.416 -0.438 1.00 10.83 C ATOM 0 H ILE A 3 6.546 -7.459 -1.182 1.00 5.87 H new ATOM 0 HA ILE A 3 7.214 -6.811 1.557 1.00 5.07 H new ATOM 0 HB ILE A 3 5.706 -4.917 1.508 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.644 -5.120 -1.485 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.317 -5.513 -0.410 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.352 -3.395 0.281 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.200 -4.625 1.248 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.050 -4.827 -0.513 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.119 -3.183 -1.231 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.376 -3.204 0.530 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.724 -2.805 -0.561 1.00 10.83 H new ATOM 56 N PHE A 4 4.609 -7.084 2.155 1.00 4.55 N ATOM 57 CA PHE A 4 3.508 -7.706 2.830 1.00 4.68 C ATOM 58 C PHE A 4 2.399 -6.661 3.166 1.00 5.30 C ATOM 59 O PHE A 4 2.760 -5.564 3.611 1.00 5.58 O ATOM 60 CB PHE A 4 4.052 -8.434 4.078 1.00 4.83 C ATOM 61 CG PHE A 4 4.995 -9.556 3.796 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.623 -10.672 3.123 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.285 -9.381 4.317 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.520 -11.757 2.992 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.214 -10.369 3.994 1.00 10.61 C ATOM 66 CZ PHE A 4 6.855 -11.588 3.382 1.00 8.90 C ATOM 0 H PHE A 4 4.917 -6.252 2.658 1.00 4.55 H new ATOM 0 HA PHE A 4 3.030 -8.443 2.185 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.557 -7.706 4.713 1.00 4.83 H new ATOM 0 HB3 PHE A 4 3.209 -8.823 4.649 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.638 -10.733 2.685 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.543 -8.532 4.932 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.181 -12.703 2.597 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.255 -10.193 4.223 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.586 -12.366 3.219 1.00 8.90 H new ATOM 76 N VAL A 5 1.078 -6.928 2.939 1.00 4.44 N ATOM 77 CA VAL A 5 -0.013 -5.928 3.172 1.00 3.87 C ATOM 78 C VAL A 5 -1.165 -6.520 3.864 1.00 4.93 C ATOM 79 O VAL A 5 -1.744 -7.483 3.460 1.00 6.84 O ATOM 80 CB VAL A 5 -0.403 -5.182 1.931 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.489 -4.114 2.266 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.834 -4.583 1.227 1.00 9.13 C ATOM 0 H VAL A 5 0.742 -7.827 2.595 1.00 4.44 H new ATOM 0 HA VAL A 5 0.402 -5.176 3.843 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.845 -5.880 1.220 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.765 -3.578 1.358 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.369 -4.607 2.678 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.093 -3.409 2.997 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.519 -4.048 0.331 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.339 -3.893 1.903 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.518 -5.385 0.950 1.00 9.13 H new ATOM 92 N LYS A 6 -1.549 -5.847 4.939 1.00 6.04 N ATOM 93 CA LYS A 6 -2.620 -6.275 5.754 1.00 6.12 C ATOM 94 C LYS A 6 -3.852 -5.606 5.192 1.00 6.57 C ATOM 95 O LYS A 6 -3.959 -4.353 5.324 1.00 5.76 O ATOM 96 CB LYS A 6 -2.366 -6.161 7.291 1.00 7.45 C ATOM 97 CG LYS A 6 -1.526 -7.370 7.846 1.00 11.12 C ATOM 98 CD LYS A 6 -1.524 -7.486 9.402 1.00 14.54 C ATOM 99 CE LYS A 6 -0.949 -8.766 10.061 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.566 -10.025 9.568 1.00 20.55 N ATOM 0 H LYS A 6 -1.106 -4.983 5.253 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.759 -7.355 5.708 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.842 -5.229 7.503 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.322 -6.115 7.813 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.919 -8.295 7.424 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.497 -7.273 7.499 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.967 -6.635 9.794 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.554 -7.376 9.741 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.125 -8.804 9.881 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.089 -8.702 11.140 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.259 -10.819 10.166 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.602 -9.942 9.607 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.269 -10.196 8.586 1.00 20.55 H new ATOM 114 N THR A 7 -4.773 -6.376 4.621 1.00 7.41 N ATOM 115 CA THR A 7 -6.106 -5.954 4.188 1.00 7.48 C ATOM 116 C THR A 7 -7.044 -5.406 5.290 1.00 8.75 C ATOM 117 O THR A 7 -6.603 -4.962 6.356 1.00 8.58 O ATOM 118 CB THR A 7 -6.877 -7.054 3.427 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.259 -8.104 4.267 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.000 -7.687 2.283 1.00 9.17 C ATOM 0 H THR A 7 -4.603 -7.365 4.437 1.00 7.41 H new ATOM 0 HA THR A 7 -5.856 -5.124 3.527 1.00 7.48 H new ATOM 0 HB THR A 7 -7.756 -6.559 3.015 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.745 -8.778 3.748 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.574 -8.457 1.768 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.714 -6.912 1.572 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.103 -8.131 2.715 1.00 9.17 H new ATOM 128 N LEU A 8 -8.386 -5.305 5.065 1.00 9.84 N ATOM 129 CA LEU A 8 -9.369 -4.962 6.050 1.00 14.15 C ATOM 130 C LEU A 8 -9.603 -6.006 7.112 1.00 17.37 C ATOM 131 O LEU A 8 -10.030 -5.622 8.211 1.00 17.01 O ATOM 132 CB LEU A 8 -10.703 -4.591 5.306 1.00 16.63 C ATOM 133 CG LEU A 8 -10.499 -3.458 4.302 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.763 -3.097 3.554 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.070 -2.112 4.919 1.00 18.59 C ATOM 0 H LEU A 8 -8.794 -5.473 4.146 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.980 -4.110 6.608 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -11.087 -5.470 4.788 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.457 -4.297 6.037 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.719 -3.876 3.666 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.554 -2.286 2.856 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.121 -3.967 3.003 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -12.527 -2.777 4.263 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.950 -1.371 4.129 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.832 -1.774 5.621 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.123 -2.238 5.445 1.00 18.59 H new ATOM 147 N THR A 9 -9.375 -7.293 6.734 1.00 18.33 N ATOM 148 CA THR A 9 -9.609 -8.423 7.623 1.00 19.24 C ATOM 149 C THR A 9 -8.346 -8.933 8.363 1.00 19.48 C ATOM 150 O THR A 9 -8.358 -9.924 9.127 1.00 23.14 O ATOM 151 CB THR A 9 -10.104 -9.583 6.792 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.145 -10.011 5.815 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.486 -9.223 6.207 1.00 19.70 C ATOM 0 H THR A 9 -9.028 -7.556 5.812 1.00 18.33 H new ATOM 0 HA THR A 9 -10.319 -8.071 8.372 1.00 19.24 H new ATOM 0 HB THR A 9 -10.230 -10.459 7.428 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.511 -10.763 5.305 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.854 -10.054 5.605 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.185 -9.027 7.020 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.396 -8.334 5.583 1.00 19.70 H new ATOM 161 N GLY A 10 -7.216 -8.199 8.131 1.00 19.43 N ATOM 162 CA GLY A 10 -5.915 -8.350 8.792 1.00 18.74 C ATOM 163 C GLY A 10 -5.165 -9.430 7.972 1.00 17.62 C ATOM 164 O GLY A 10 -4.027 -9.711 8.268 1.00 19.74 O ATOM 0 H GLY A 10 -7.205 -7.451 7.438 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.365 -7.409 8.799 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.035 -8.657 9.831 1.00 18.74 H new ATOM 168 N LYS A 11 -5.754 -10.045 6.923 1.00 13.56 N ATOM 169 CA LYS A 11 -5.066 -11.010 6.104 1.00 11.91 C ATOM 170 C LYS A 11 -3.848 -10.381 5.400 1.00 10.18 C ATOM 171 O LYS A 11 -3.987 -9.409 4.707 1.00 9.10 O ATOM 172 CB LYS A 11 -5.924 -11.592 4.960 1.00 13.43 C ATOM 173 CG LYS A 11 -5.309 -12.639 4.097 1.00 16.69 C ATOM 174 CD LYS A 11 -6.312 -13.086 2.985 1.00 17.92 C ATOM 175 CE LYS A 11 -6.337 -12.087 1.865 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.311 -12.454 0.874 1.00 21.93 N ATOM 0 H LYS A 11 -6.718 -9.872 6.638 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.794 -11.795 6.809 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -6.830 -12.009 5.399 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.232 -10.766 4.318 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.398 -12.254 3.640 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.023 -13.498 4.704 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.025 -14.065 2.600 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.311 -13.191 3.409 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.568 -11.098 2.260 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -5.350 -12.024 1.406 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.671 -11.597 0.407 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.869 -13.075 0.166 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.099 -12.956 1.331 1.00 21.93 H new ATOM 190 N THR A 12 -2.700 -10.998 5.475 1.00 9.63 N ATOM 191 CA THR A 12 -1.485 -10.446 4.845 1.00 9.85 C ATOM 192 C THR A 12 -1.314 -11.039 3.469 1.00 11.66 C ATOM 193 O THR A 12 -0.915 -12.181 3.336 1.00 12.33 O ATOM 194 CB THR A 12 -0.286 -10.814 5.653 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.426 -10.288 6.943 1.00 10.91 O ATOM 196 CG2 THR A 12 0.930 -10.107 5.091 1.00 9.63 C ATOM 0 H THR A 12 -2.559 -11.884 5.961 1.00 9.63 H new ATOM 0 HA THR A 12 -1.585 -9.362 4.785 1.00 9.85 H new ATOM 0 HB THR A 12 -0.186 -11.899 5.644 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.164 -10.771 7.559 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.809 -10.373 5.678 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.081 -10.410 4.055 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.777 -9.029 5.135 1.00 9.63 H new ATOM 204 N ILE A 13 -1.595 -10.238 2.419 1.00 10.42 N ATOM 205 CA ILE A 13 -1.202 -10.464 1.056 1.00 11.84 C ATOM 206 C ILE A 13 0.265 -10.166 0.762 1.00 10.55 C ATOM 207 O ILE A 13 0.896 -9.365 1.444 1.00 11.92 O ATOM 208 CB ILE A 13 -2.102 -9.703 0.069 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.002 -8.161 0.233 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.532 -10.146 0.304 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.002 -7.305 -0.535 1.00 16.46 C ATOM 0 H ILE A 13 -2.131 -9.377 2.530 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.332 -11.537 0.912 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.772 -9.933 -0.944 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.104 -7.928 1.293 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -0.999 -7.855 -0.065 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.194 -9.620 -0.385 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.612 -11.220 0.136 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.820 -9.917 1.330 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.815 -6.252 -0.326 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.892 -7.488 -1.604 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.015 -7.562 -0.225 1.00 16.46 H new ATOM 223 N THR A 14 0.864 -10.803 -0.224 1.00 9.39 N ATOM 224 CA THR A 14 2.279 -10.528 -0.576 1.00 9.63 C ATOM 225 C THR A 14 2.371 -9.903 -1.913 1.00 11.20 C ATOM 226 O THR A 14 1.729 -10.326 -2.895 1.00 11.63 O ATOM 227 CB THR A 14 3.088 -11.821 -0.690 1.00 10.38 C ATOM 228 OG1 THR A 14 3.018 -12.523 0.528 1.00 16.30 O ATOM 229 CG2 THR A 14 4.610 -11.628 -0.970 1.00 11.66 C ATOM 0 H THR A 14 0.414 -11.512 -0.803 1.00 9.39 H new ATOM 0 HA THR A 14 2.664 -9.881 0.212 1.00 9.63 H new ATOM 0 HB THR A 14 2.645 -12.345 -1.537 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.557 -12.061 1.203 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.095 -12.602 -1.033 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.742 -11.095 -1.912 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.059 -11.051 -0.161 1.00 11.66 H new ATOM 237 N LEU A 15 3.255 -8.865 -2.075 1.00 8.29 N ATOM 238 CA LEU A 15 3.403 -8.057 -3.282 1.00 9.03 C ATOM 239 C LEU A 15 4.816 -8.129 -3.769 1.00 8.59 C ATOM 240 O LEU A 15 5.768 -7.950 -3.014 1.00 7.79 O ATOM 241 CB LEU A 15 2.962 -6.571 -3.153 1.00 11.08 C ATOM 242 CG LEU A 15 1.623 -6.339 -2.396 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.431 -4.779 -2.206 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.411 -6.978 -2.998 1.00 15.27 C ATOM 0 H LEU A 15 3.893 -8.579 -1.332 1.00 8.29 H new ATOM 0 HA LEU A 15 2.712 -8.494 -4.003 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.750 -6.018 -2.642 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.873 -6.147 -4.153 1.00 11.08 H new ATOM 0 HG LEU A 15 1.711 -6.849 -1.437 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.497 -4.589 -1.677 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.264 -4.378 -1.628 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.400 -4.295 -3.182 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.462 -6.749 -2.387 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.259 -6.593 -4.006 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.552 -8.058 -3.040 1.00 15.27 H new ATOM 256 N GLU A 16 4.963 -8.421 -5.096 1.00 11.04 N ATOM 257 CA GLU A 16 6.203 -8.105 -5.755 1.00 11.50 C ATOM 258 C GLU A 16 6.179 -6.680 -6.224 1.00 10.13 C ATOM 259 O GLU A 16 5.259 -6.283 -6.984 1.00 9.83 O ATOM 260 CB GLU A 16 6.350 -9.008 -6.990 1.00 17.22 C ATOM 261 CG GLU A 16 7.616 -8.815 -7.792 1.00 23.33 C ATOM 262 CD GLU A 16 7.861 -9.850 -8.915 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.195 -10.916 -8.970 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.710 -9.548 -9.767 1.00 28.90 O ATOM 0 H GLU A 16 4.252 -8.857 -5.683 1.00 11.04 H new ATOM 0 HA GLU A 16 7.029 -8.256 -5.060 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.301 -10.048 -6.666 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.496 -8.838 -7.646 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.594 -7.821 -8.238 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.465 -8.839 -7.109 1.00 23.33 H new ATOM 271 N VAL A 17 7.104 -5.826 -5.718 1.00 8.99 N ATOM 272 CA VAL A 17 7.177 -4.433 -6.166 1.00 8.85 C ATOM 273 C VAL A 17 8.629 -3.971 -6.270 1.00 8.04 C ATOM 274 O VAL A 17 9.579 -4.678 -5.948 1.00 8.99 O ATOM 275 CB VAL A 17 6.389 -3.487 -5.282 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.843 -3.776 -5.399 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.928 -3.733 -3.887 1.00 10.54 C ATOM 0 H VAL A 17 7.794 -6.082 -5.012 1.00 8.99 H new ATOM 0 HA VAL A 17 6.718 -4.404 -7.154 1.00 8.85 H new ATOM 0 HB VAL A 17 6.502 -2.441 -5.566 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.294 -3.087 -4.757 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.525 -3.641 -6.433 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.640 -4.801 -5.088 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.411 -3.086 -3.178 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.766 -4.775 -3.613 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.996 -3.514 -3.866 1.00 10.54 H new ATOM 287 N GLU A 18 8.883 -2.756 -6.884 1.00 7.29 N ATOM 288 CA GLU A 18 10.217 -2.183 -6.882 1.00 7.08 C ATOM 289 C GLU A 18 10.316 -1.068 -5.847 1.00 6.45 C ATOM 290 O GLU A 18 9.343 -0.358 -5.635 1.00 5.28 O ATOM 291 CB GLU A 18 10.575 -1.560 -8.268 1.00 10.28 C ATOM 292 CG GLU A 18 10.675 -2.637 -9.425 1.00 12.65 C ATOM 293 CD GLU A 18 11.601 -3.735 -9.059 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.782 -3.518 -8.772 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.172 -4.874 -9.314 1.00 18.17 O ATOM 0 H GLU A 18 8.179 -2.196 -7.364 1.00 7.29 H new ATOM 0 HA GLU A 18 10.906 -2.995 -6.650 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.820 -0.820 -8.533 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.525 -1.032 -8.188 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.686 -3.046 -9.631 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.019 -2.158 -10.342 1.00 12.65 H new ATOM 302 N PRO A 19 11.538 -0.739 -5.273 1.00 7.24 N ATOM 303 CA PRO A 19 11.799 0.614 -4.673 1.00 7.07 C ATOM 304 C PRO A 19 11.239 1.727 -5.536 1.00 6.65 C ATOM 305 O PRO A 19 10.619 2.677 -5.001 1.00 6.37 O ATOM 306 CB PRO A 19 13.310 0.592 -4.464 1.00 7.61 C ATOM 307 CG PRO A 19 13.718 -0.871 -4.415 1.00 8.16 C ATOM 308 CD PRO A 19 12.730 -1.519 -5.418 1.00 7.49 C ATOM 0 HA PRO A 19 11.292 0.818 -3.730 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.821 1.110 -5.275 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.581 1.101 -3.539 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.756 -1.015 -4.715 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.615 -1.289 -3.414 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.112 -1.480 -6.438 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.553 -2.569 -5.184 1.00 7.49 H new ATOM 316 N SER A 20 11.478 1.681 -6.845 1.00 6.80 N ATOM 317 CA SER A 20 11.100 2.612 -7.864 1.00 6.28 C ATOM 318 C SER A 20 9.609 2.681 -8.203 1.00 8.45 C ATOM 319 O SER A 20 9.173 3.625 -8.855 1.00 7.26 O ATOM 320 CB SER A 20 11.893 2.393 -9.136 1.00 8.57 C ATOM 321 OG SER A 20 11.677 1.126 -9.620 1.00 11.13 O ATOM 0 H SER A 20 11.999 0.899 -7.243 1.00 6.80 H new ATOM 0 HA SER A 20 11.340 3.576 -7.415 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.603 3.130 -9.885 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.955 2.539 -8.940 1.00 8.57 H new ATOM 0 HG SER A 20 12.194 0.998 -10.443 1.00 11.13 H new ATOM 327 N ASP A 21 8.703 1.827 -7.584 1.00 7.50 N ATOM 328 CA ASP A 21 7.295 1.997 -7.740 1.00 7.70 C ATOM 329 C ASP A 21 6.767 3.142 -6.952 1.00 7.08 C ATOM 330 O ASP A 21 7.290 3.463 -5.874 1.00 8.11 O ATOM 331 CB ASP A 21 6.581 0.698 -7.218 1.00 11.00 C ATOM 332 CG ASP A 21 6.451 -0.366 -8.248 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.834 -0.213 -9.432 1.00 18.03 O ATOM 334 OD2 ASP A 21 5.938 -1.464 -7.901 1.00 14.36 O ATOM 0 H ASP A 21 8.971 1.041 -6.992 1.00 7.50 H new ATOM 0 HA ASP A 21 7.102 2.188 -8.796 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.139 0.303 -6.369 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.588 0.961 -6.853 1.00 11.00 H new ATOM 339 N THR A 22 5.655 3.848 -7.430 1.00 5.37 N ATOM 340 CA THR A 22 4.881 4.699 -6.591 1.00 6.01 C ATOM 341 C THR A 22 4.008 3.999 -5.643 1.00 8.01 C ATOM 342 O THR A 22 3.738 2.852 -5.937 1.00 8.11 O ATOM 343 CB THR A 22 4.186 5.944 -7.218 1.00 8.92 C ATOM 344 OG1 THR A 22 3.117 5.596 -8.082 1.00 10.22 O ATOM 345 CG2 THR A 22 5.109 6.775 -8.081 1.00 9.65 C ATOM 0 H THR A 22 5.328 3.803 -8.395 1.00 5.37 H new ATOM 0 HA THR A 22 5.696 5.150 -6.025 1.00 6.01 H new ATOM 0 HB THR A 22 3.846 6.500 -6.345 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.399 4.869 -8.675 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.561 7.626 -8.486 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.944 7.134 -7.480 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.488 6.165 -8.900 1.00 9.65 H new ATOM 353 N ILE A 23 3.563 4.655 -4.613 1.00 8.32 N ATOM 354 CA ILE A 23 2.532 4.122 -3.792 1.00 9.92 C ATOM 355 C ILE A 23 1.174 3.873 -4.473 1.00 10.01 C ATOM 356 O ILE A 23 0.455 2.899 -4.229 1.00 8.71 O ATOM 357 CB ILE A 23 2.414 4.920 -2.556 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.670 5.050 -1.645 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.146 4.518 -1.714 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.954 3.756 -0.845 1.00 12.30 C ATOM 0 H ILE A 23 3.907 5.571 -4.324 1.00 8.32 H new ATOM 0 HA ILE A 23 2.850 3.109 -3.547 1.00 9.92 H new ATOM 0 HB ILE A 23 2.299 5.928 -2.956 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.537 5.292 -2.259 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.529 5.879 -0.952 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.098 5.130 -0.813 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.248 4.679 -2.310 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.213 3.466 -1.435 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.839 3.898 -0.225 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.099 3.526 -0.209 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.124 2.931 -1.536 1.00 12.30 H new ATOM 372 N GLU A 24 0.844 4.664 -5.553 1.00 9.54 N ATOM 373 CA GLU A 24 -0.159 4.443 -6.592 1.00 11.81 C ATOM 374 C GLU A 24 -0.080 3.091 -7.326 1.00 11.14 C ATOM 375 O GLU A 24 -1.072 2.374 -7.594 1.00 10.62 O ATOM 376 CB GLU A 24 -0.087 5.582 -7.557 1.00 19.24 C ATOM 377 CG GLU A 24 -1.310 5.814 -8.483 1.00 27.76 C ATOM 378 CD GLU A 24 -1.302 7.232 -9.035 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.330 7.621 -9.786 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.157 8.042 -8.604 1.00 36.51 O ATOM 0 H GLU A 24 1.334 5.545 -5.707 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.124 4.399 -6.087 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.082 6.496 -6.987 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.789 5.434 -8.188 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.292 5.098 -9.305 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.232 5.639 -7.928 1.00 27.76 H new ATOM 387 N ASN A 25 1.163 2.658 -7.695 1.00 9.43 N ATOM 388 CA ASN A 25 1.395 1.401 -8.332 1.00 10.96 C ATOM 389 C ASN A 25 1.228 0.242 -7.300 1.00 9.68 C ATOM 390 O ASN A 25 0.731 -0.843 -7.612 1.00 9.33 O ATOM 391 CB ASN A 25 2.802 1.389 -8.965 1.00 16.78 C ATOM 392 CG ASN A 25 3.101 2.585 -9.886 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.119 3.246 -9.718 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.335 2.614 -10.998 1.00 24.70 N ATOM 0 H ASN A 25 2.012 3.202 -7.541 1.00 9.43 H new ATOM 0 HA ASN A 25 0.663 1.253 -9.126 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.545 1.367 -8.167 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.921 0.469 -9.537 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.591 3.219 -11.778 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.501 2.031 -11.058 1.00 24.70 H new ATOM 401 N VAL A 26 1.570 0.527 -5.992 1.00 6.52 N ATOM 402 CA VAL A 26 1.449 -0.534 -4.944 1.00 5.53 C ATOM 403 C VAL A 26 -0.002 -0.787 -4.789 1.00 4.42 C ATOM 404 O VAL A 26 -0.381 -1.951 -4.722 1.00 3.40 O ATOM 405 CB VAL A 26 2.067 -0.098 -3.566 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.736 -1.135 -2.461 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.567 0.014 -3.810 1.00 8.12 C ATOM 0 H VAL A 26 1.911 1.430 -5.661 1.00 6.52 H new ATOM 0 HA VAL A 26 2.000 -1.423 -5.250 1.00 5.53 H new ATOM 0 HB VAL A 26 1.657 0.849 -3.214 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.174 -0.812 -1.516 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.655 -1.217 -2.351 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.147 -2.106 -2.738 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.064 0.316 -2.888 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.956 -0.952 -4.133 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.755 0.758 -4.584 1.00 8.12 H new ATOM 417 N LYS A 27 -0.810 0.231 -4.826 1.00 2.64 N ATOM 418 CA LYS A 27 -2.239 0.104 -4.711 1.00 4.14 C ATOM 419 C LYS A 27 -2.933 -0.628 -5.889 1.00 5.58 C ATOM 420 O LYS A 27 -3.907 -1.393 -5.753 1.00 4.11 O ATOM 421 CB LYS A 27 -2.775 1.550 -4.522 1.00 3.97 C ATOM 422 CG LYS A 27 -2.567 2.107 -3.086 1.00 7.45 C ATOM 423 CD LYS A 27 -3.071 3.558 -3.009 1.00 9.02 C ATOM 424 CE LYS A 27 -3.088 4.019 -1.538 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.454 5.416 -1.519 1.00 15.47 N ATOM 0 H LYS A 27 -0.491 1.193 -4.939 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.475 -0.541 -3.865 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.278 2.209 -5.234 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.839 1.568 -4.759 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.102 1.488 -2.366 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.511 2.065 -2.820 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.426 4.210 -3.598 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.072 3.630 -3.435 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.800 3.429 -0.961 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.109 3.874 -1.081 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.894 5.912 -0.797 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.267 5.837 -2.452 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.466 5.507 -1.295 1.00 15.47 H new ATOM 439 N ALA A 28 -2.477 -0.414 -7.136 1.00 6.61 N ATOM 440 CA ALA A 28 -2.888 -1.121 -8.307 1.00 7.74 C ATOM 441 C ALA A 28 -2.436 -2.619 -8.227 1.00 9.17 C ATOM 442 O ALA A 28 -3.198 -3.495 -8.652 1.00 11.45 O ATOM 443 CB ALA A 28 -2.283 -0.557 -9.550 1.00 7.68 C ATOM 0 H ALA A 28 -1.776 0.299 -7.337 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.973 -1.029 -8.349 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.626 -1.128 -10.413 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.585 0.485 -9.661 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.197 -0.615 -9.485 1.00 7.68 H new ATOM 449 N LYS A 29 -1.282 -2.961 -7.609 1.00 8.96 N ATOM 450 CA LYS A 29 -0.866 -4.338 -7.433 1.00 7.90 C ATOM 451 C LYS A 29 -1.817 -5.003 -6.390 1.00 6.92 C ATOM 452 O LYS A 29 -2.216 -6.151 -6.510 1.00 6.87 O ATOM 453 CB LYS A 29 0.592 -4.290 -6.958 1.00 10.28 C ATOM 454 CG LYS A 29 1.437 -5.554 -7.106 1.00 14.94 C ATOM 455 CD LYS A 29 1.627 -5.885 -8.627 1.00 19.69 C ATOM 456 CE LYS A 29 2.195 -7.258 -8.932 1.00 22.63 C ATOM 457 NZ LYS A 29 2.289 -7.497 -10.381 1.00 24.98 N ATOM 0 H LYS A 29 -0.627 -2.279 -7.226 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.923 -4.930 -8.346 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.093 -3.488 -7.500 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.591 -4.011 -5.904 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.407 -5.412 -6.630 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.952 -6.389 -6.600 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.661 -5.792 -9.124 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.284 -5.134 -9.065 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.184 -7.351 -8.483 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.565 -8.022 -8.477 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.681 -8.445 -10.552 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.342 -7.433 -10.806 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.910 -6.783 -10.811 1.00 24.98 H new ATOM 471 N ILE A 30 -2.251 -4.222 -5.349 1.00 4.57 N ATOM 472 CA ILE A 30 -3.236 -4.534 -4.284 1.00 5.58 C ATOM 473 C ILE A 30 -4.615 -4.819 -4.884 1.00 7.26 C ATOM 474 O ILE A 30 -5.377 -5.702 -4.558 1.00 9.46 O ATOM 475 CB ILE A 30 -3.272 -3.526 -3.181 1.00 5.36 C ATOM 476 CG1 ILE A 30 -1.923 -3.683 -2.360 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.499 -3.811 -2.308 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.692 -2.546 -1.338 1.00 2.00 C ATOM 0 H ILE A 30 -1.882 -3.278 -5.233 1.00 4.57 H new ATOM 0 HA ILE A 30 -2.894 -5.448 -3.798 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.350 -2.504 -3.553 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.935 -4.638 -1.834 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.084 -3.713 -3.055 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.544 -3.086 -1.496 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.402 -3.734 -2.914 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.425 -4.816 -1.893 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.753 -2.715 -0.812 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.648 -1.590 -1.861 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.512 -2.530 -0.620 1.00 2.00 H new ATOM 490 N GLN A 31 -4.986 -3.956 -5.873 1.00 7.06 N ATOM 491 CA GLN A 31 -6.297 -3.990 -6.538 1.00 8.67 C ATOM 492 C GLN A 31 -6.524 -5.369 -7.158 1.00 10.90 C ATOM 493 O GLN A 31 -7.539 -6.037 -6.872 1.00 9.63 O ATOM 494 CB GLN A 31 -6.381 -2.875 -7.574 1.00 9.12 C ATOM 495 CG GLN A 31 -7.718 -2.952 -8.468 1.00 10.76 C ATOM 496 CD GLN A 31 -7.665 -1.746 -9.513 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.452 -0.832 -9.494 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.704 -1.805 -10.437 1.00 14.76 N ATOM 0 H GLN A 31 -4.373 -3.220 -6.223 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.089 -3.820 -5.809 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.344 -1.911 -7.067 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.510 -2.926 -8.227 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.777 -3.908 -8.988 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.605 -2.876 -7.839 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.046 -2.585 -10.440 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.627 -1.071 -11.141 1.00 14.76 H new ATOM 507 N ASP A 32 -5.545 -5.897 -7.888 1.00 10.93 N ATOM 508 CA ASP A 32 -5.469 -7.217 -8.460 1.00 14.01 C ATOM 509 C ASP A 32 -5.691 -8.318 -7.433 1.00 14.04 C ATOM 510 O ASP A 32 -6.275 -9.342 -7.750 1.00 13.39 O ATOM 511 CB ASP A 32 -4.121 -7.380 -9.195 1.00 18.01 C ATOM 512 CG ASP A 32 -4.254 -8.499 -10.189 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.121 -8.453 -11.080 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.465 -9.469 -10.109 1.00 26.29 O ATOM 0 H ASP A 32 -4.712 -5.351 -8.108 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.282 -7.322 -9.178 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.851 -6.453 -9.701 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.325 -7.598 -8.483 1.00 18.01 H new ATOM 519 N LYS A 33 -5.192 -8.293 -6.149 1.00 14.22 N ATOM 520 CA LYS A 33 -5.349 -9.362 -5.240 1.00 14.00 C ATOM 521 C LYS A 33 -6.699 -9.273 -4.518 1.00 12.37 C ATOM 522 O LYS A 33 -7.217 -10.301 -4.074 1.00 12.17 O ATOM 523 CB LYS A 33 -4.325 -9.107 -4.144 1.00 18.62 C ATOM 524 CG LYS A 33 -2.883 -9.463 -4.553 1.00 24.00 C ATOM 525 CD LYS A 33 -2.428 -10.883 -4.292 1.00 27.61 C ATOM 526 CE LYS A 33 -0.948 -11.069 -4.554 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.536 -12.513 -4.304 1.00 30.06 N ATOM 0 H LYS A 33 -4.675 -7.501 -5.766 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.256 -10.311 -5.768 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.364 -8.056 -3.859 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.597 -9.686 -3.262 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.773 -9.262 -5.619 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.206 -8.788 -4.030 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.648 -11.148 -3.258 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.995 -11.566 -4.924 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.718 -10.793 -5.583 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.373 -10.404 -3.909 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.482 -12.621 -4.489 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.737 -12.765 -3.315 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.071 -13.141 -4.937 1.00 30.06 H new ATOM 541 N GLU A 34 -7.373 -8.111 -4.439 1.00 10.11 N ATOM 542 CA GLU A 34 -8.455 -7.906 -3.432 1.00 10.07 C ATOM 543 C GLU A 34 -9.791 -7.293 -3.913 1.00 9.32 C ATOM 544 O GLU A 34 -10.838 -7.368 -3.278 1.00 11.61 O ATOM 545 CB GLU A 34 -8.023 -7.107 -2.212 1.00 14.77 C ATOM 546 CG GLU A 34 -7.244 -7.834 -1.096 1.00 18.75 C ATOM 547 CD GLU A 34 -7.997 -9.028 -0.550 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.150 -8.877 -0.115 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.395 -10.163 -0.604 1.00 21.95 O ATOM 0 H GLU A 34 -7.200 -7.308 -5.043 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.648 -8.950 -3.187 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.408 -6.277 -2.560 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.918 -6.675 -1.764 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.280 -8.163 -1.484 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.039 -7.135 -0.285 1.00 18.75 H new ATOM 556 N GLY A 35 -9.738 -6.594 -5.056 1.00 7.22 N ATOM 557 CA GLY A 35 -10.886 -5.878 -5.595 1.00 6.29 C ATOM 558 C GLY A 35 -11.244 -4.538 -4.997 1.00 6.93 C ATOM 559 O GLY A 35 -12.361 -4.033 -5.181 1.00 7.41 O ATOM 0 H GLY A 35 -8.896 -6.514 -5.626 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.714 -5.730 -6.661 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.756 -6.527 -5.500 1.00 6.29 H new ATOM 563 N ILE A 36 -10.327 -3.951 -4.218 1.00 5.86 N ATOM 564 CA ILE A 36 -10.510 -2.585 -3.678 1.00 6.07 C ATOM 565 C ILE A 36 -9.995 -1.609 -4.693 1.00 6.36 C ATOM 566 O ILE A 36 -8.844 -1.805 -5.097 1.00 6.18 O ATOM 567 CB ILE A 36 -9.826 -2.358 -2.331 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.183 -3.535 -1.366 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.141 -0.932 -1.822 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.514 -3.448 0.023 1.00 9.49 C ATOM 0 H ILE A 36 -9.450 -4.394 -3.944 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.574 -2.442 -3.492 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.739 -2.383 -2.411 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.265 -3.564 -1.233 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.894 -4.475 -1.837 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.652 -0.772 -0.861 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.775 -0.200 -2.542 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.219 -0.817 -1.704 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.817 -4.304 0.627 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.430 -3.452 -0.094 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.822 -2.527 0.518 1.00 9.49 H new ATOM 582 N PRO A 37 -10.652 -0.559 -5.232 1.00 8.65 N ATOM 583 CA PRO A 37 -10.009 0.307 -6.265 1.00 9.18 C ATOM 584 C PRO A 37 -9.030 1.292 -5.626 1.00 9.85 C ATOM 585 O PRO A 37 -9.281 1.700 -4.491 1.00 8.51 O ATOM 586 CB PRO A 37 -11.180 1.046 -6.977 1.00 11.42 C ATOM 587 CG PRO A 37 -12.387 0.232 -6.727 1.00 9.27 C ATOM 588 CD PRO A 37 -12.160 -0.426 -5.363 1.00 8.33 C ATOM 0 HA PRO A 37 -9.421 -0.278 -6.972 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.301 2.055 -6.583 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.988 1.142 -8.046 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.284 0.852 -6.720 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.524 -0.517 -7.507 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.573 0.182 -4.558 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.648 -1.399 -5.309 1.00 8.33 H new ATOM 596 N PRO A 38 -7.925 1.720 -6.239 1.00 8.71 N ATOM 597 CA PRO A 38 -6.924 2.616 -5.659 1.00 9.08 C ATOM 598 C PRO A 38 -7.452 3.959 -5.136 1.00 9.28 C ATOM 599 O PRO A 38 -6.758 4.597 -4.304 1.00 6.50 O ATOM 600 CB PRO A 38 -5.839 2.779 -6.722 1.00 10.31 C ATOM 601 CG PRO A 38 -5.867 1.350 -7.303 1.00 10.81 C ATOM 602 CD PRO A 38 -7.330 1.029 -7.354 1.00 12.00 C ATOM 0 HA PRO A 38 -6.537 2.166 -4.744 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.084 3.541 -7.462 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.870 3.044 -6.299 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.411 1.309 -8.292 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.323 0.648 -6.671 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.769 1.357 -8.296 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.497 -0.046 -7.282 1.00 12.00 H new ATOM 610 N ASP A 39 -8.622 4.386 -5.691 1.00 11.20 N ATOM 611 CA ASP A 39 -9.394 5.533 -5.308 1.00 14.96 C ATOM 612 C ASP A 39 -10.031 5.401 -3.963 1.00 13.99 C ATOM 613 O ASP A 39 -10.365 6.388 -3.293 1.00 13.75 O ATOM 614 CB ASP A 39 -10.335 5.863 -6.495 1.00 24.16 C ATOM 615 CG ASP A 39 -11.190 7.086 -6.318 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.641 8.170 -6.168 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.445 7.035 -6.317 1.00 35.55 O ATOM 0 H ASP A 39 -9.052 3.882 -6.467 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.757 6.401 -5.138 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.729 5.990 -7.392 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.987 5.007 -6.669 1.00 24.16 H new ATOM 622 N GLN A 40 -10.066 4.204 -3.389 1.00 11.60 N ATOM 623 CA GLN A 40 -10.561 3.801 -2.112 1.00 10.76 C ATOM 624 C GLN A 40 -9.524 3.141 -1.170 1.00 8.01 C ATOM 625 O GLN A 40 -9.861 2.699 -0.045 1.00 8.96 O ATOM 626 CB GLN A 40 -11.713 2.856 -2.344 1.00 11.14 C ATOM 627 CG GLN A 40 -12.795 3.026 -1.238 1.00 14.85 C ATOM 628 CD GLN A 40 -13.943 2.047 -1.594 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.774 1.129 -2.393 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.039 2.191 -0.833 1.00 18.16 N ATOM 0 H GLN A 40 -9.693 3.398 -3.891 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.859 4.711 -1.592 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.154 3.045 -3.323 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.351 1.828 -2.351 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.383 2.800 -0.254 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.157 4.053 -1.204 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.113 2.979 -0.189 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.798 1.513 -0.898 1.00 18.16 H new ATOM 639 N GLN A 41 -8.255 3.134 -1.560 1.00 6.52 N ATOM 640 CA GLN A 41 -7.234 2.515 -0.648 1.00 3.87 C ATOM 641 C GLN A 41 -6.435 3.556 0.081 1.00 4.79 C ATOM 642 O GLN A 41 -6.021 4.571 -0.502 1.00 6.34 O ATOM 643 CB GLN A 41 -6.206 1.777 -1.445 1.00 4.20 C ATOM 644 CG GLN A 41 -6.814 0.475 -2.047 1.00 3.20 C ATOM 645 CD GLN A 41 -5.834 -0.353 -2.946 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.687 -0.533 -2.583 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.283 -0.863 -4.111 1.00 7.13 N ATOM 0 H GLN A 41 -7.899 3.516 -2.436 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.797 1.877 0.034 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.831 2.415 -2.246 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.355 1.529 -0.811 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.159 -0.159 -1.231 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.691 0.740 -2.638 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.248 -0.702 -4.400 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.658 -1.410 -4.703 1.00 7.13 H new ATOM 656 N ARG A 42 -6.199 3.316 1.328 1.00 5.73 N ATOM 657 CA ARG A 42 -5.181 4.098 2.078 1.00 6.97 C ATOM 658 C ARG A 42 -4.179 3.174 2.798 1.00 7.15 C ATOM 659 O ARG A 42 -4.574 2.260 3.483 1.00 7.33 O ATOM 660 CB ARG A 42 -5.701 5.040 3.084 1.00 13.23 C ATOM 661 CG ARG A 42 -4.708 6.084 3.585 1.00 21.27 C ATOM 662 CD ARG A 42 -5.221 6.977 4.714 1.00 26.14 C ATOM 663 NE ARG A 42 -6.209 7.986 4.195 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.523 8.081 4.542 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.024 7.407 5.603 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.297 9.027 4.013 1.00 36.39 N ATOM 0 H ARG A 42 -6.674 2.598 1.875 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.709 4.689 1.293 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.562 5.557 2.660 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.062 4.468 3.939 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -3.808 5.572 3.927 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.415 6.716 2.747 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -5.691 6.364 5.483 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.383 7.491 5.185 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.861 8.665 3.518 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.414 6.811 6.163 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.012 7.495 5.843 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.907 9.689 3.342 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.280 9.090 4.279 1.00 36.39 H new ATOM 680 N LEU A 43 -2.865 3.410 2.623 1.00 4.65 N ATOM 681 CA LEU A 43 -1.765 2.547 3.078 1.00 3.51 C ATOM 682 C LEU A 43 -0.928 3.153 4.231 1.00 5.56 C ATOM 683 O LEU A 43 -0.235 4.155 4.065 1.00 4.19 O ATOM 684 CB LEU A 43 -0.759 2.068 1.974 1.00 3.74 C ATOM 685 CG LEU A 43 -1.479 1.311 0.785 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.319 0.671 -0.028 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.328 0.115 1.225 1.00 6.41 C ATOM 0 H LEU A 43 -2.530 4.243 2.140 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.325 1.678 3.425 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.221 2.930 1.579 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.017 1.408 2.424 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.124 2.024 0.271 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.729 0.123 -0.877 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.347 1.454 -0.389 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.239 -0.014 0.611 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.786 -0.347 0.351 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.695 -0.614 1.731 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.108 0.454 1.907 1.00 6.41 H new ATOM 699 N ILE A 44 -0.925 2.435 5.353 1.00 4.58 N ATOM 700 CA ILE A 44 -0.293 2.868 6.592 1.00 5.55 C ATOM 701 C ILE A 44 0.864 2.013 6.827 1.00 5.46 C ATOM 702 O ILE A 44 0.741 0.781 6.662 1.00 6.04 O ATOM 703 CB ILE A 44 -1.281 2.741 7.751 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.721 3.049 7.345 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.797 3.796 8.808 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.074 4.502 6.957 1.00 13.90 C ATOM 0 H ILE A 44 -1.370 1.520 5.425 1.00 4.58 H new ATOM 0 HA ILE A 44 0.016 3.911 6.518 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.294 1.718 8.126 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.973 2.408 6.500 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.370 2.758 8.171 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.456 3.770 9.676 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.221 3.560 9.118 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.820 4.792 8.365 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.130 4.562 6.694 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.872 5.163 7.800 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.469 4.808 6.103 1.00 13.90 H new ATOM 718 N PHE A 45 1.974 2.578 7.346 1.00 6.75 N ATOM 719 CA PHE A 45 3.118 1.817 7.862 1.00 4.70 C ATOM 720 C PHE A 45 3.758 2.728 8.894 1.00 6.34 C ATOM 721 O PHE A 45 4.047 3.912 8.689 1.00 5.45 O ATOM 722 CB PHE A 45 4.039 1.508 6.631 1.00 5.51 C ATOM 723 CG PHE A 45 5.459 1.186 7.006 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.827 -0.095 7.490 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.513 2.133 6.725 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.130 -0.405 7.786 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.840 1.732 6.950 1.00 6.64 C ATOM 728 CZ PHE A 45 8.134 0.496 7.505 1.00 6.84 C ATOM 0 H PHE A 45 2.097 3.588 7.417 1.00 6.75 H new ATOM 0 HA PHE A 45 2.881 0.864 8.334 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.620 0.669 6.076 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.035 2.367 5.961 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.063 -0.845 7.629 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.287 3.121 6.353 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.369 -1.356 8.239 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.647 2.399 6.686 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.160 0.237 7.719 1.00 6.84 H new ATOM 738 N ALA A 46 3.872 2.144 10.122 1.00 6.53 N ATOM 739 CA ALA A 46 4.510 2.726 11.281 1.00 7.15 C ATOM 740 C ALA A 46 3.723 3.973 11.791 1.00 9.00 C ATOM 741 O ALA A 46 4.296 4.953 12.310 1.00 11.15 O ATOM 742 CB ALA A 46 5.951 2.968 10.965 1.00 8.99 C ATOM 0 H ALA A 46 3.497 1.215 10.311 1.00 6.53 H new ATOM 0 HA ALA A 46 4.488 2.038 12.126 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.445 3.407 11.832 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.432 2.023 10.714 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.028 3.651 10.119 1.00 8.99 H new ATOM 748 N GLY A 47 2.390 3.957 11.533 1.00 9.35 N ATOM 749 CA GLY A 47 1.490 5.118 11.709 1.00 11.68 C ATOM 750 C GLY A 47 1.525 6.235 10.598 1.00 11.14 C ATOM 751 O GLY A 47 0.764 7.163 10.711 1.00 13.93 O ATOM 0 H GLY A 47 1.908 3.125 11.193 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.468 4.745 11.780 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.726 5.586 12.665 1.00 11.68 H new ATOM 755 N LYS A 48 2.315 6.096 9.512 1.00 10.47 N ATOM 756 CA LYS A 48 2.399 7.138 8.486 1.00 8.82 C ATOM 757 C LYS A 48 1.642 6.774 7.268 1.00 7.68 C ATOM 758 O LYS A 48 1.585 5.623 6.827 1.00 6.47 O ATOM 759 CB LYS A 48 3.875 7.337 8.016 1.00 9.74 C ATOM 760 CG LYS A 48 4.778 7.732 9.199 1.00 14.14 C ATOM 761 CD LYS A 48 6.312 7.873 8.820 1.00 16.32 C ATOM 762 CE LYS A 48 7.064 6.619 8.553 1.00 20.04 C ATOM 763 NZ LYS A 48 8.502 6.849 8.290 1.00 23.92 N ATOM 0 H LYS A 48 2.896 5.277 9.331 1.00 10.47 H new ATOM 0 HA LYS A 48 1.991 8.038 8.946 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.244 6.417 7.563 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.916 8.109 7.248 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.427 8.679 9.610 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.676 6.985 9.986 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.385 8.505 7.935 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.813 8.401 9.631 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.959 5.951 9.408 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.621 6.112 7.696 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.972 5.939 8.111 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.609 7.463 7.458 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.937 7.307 9.116 1.00 23.92 H new ATOM 777 N GLN A 49 1.021 7.739 6.596 1.00 8.89 N ATOM 778 CA GLN A 49 -0.024 7.520 5.541 1.00 7.18 C ATOM 779 C GLN A 49 0.739 7.822 4.278 1.00 8.23 C ATOM 780 O GLN A 49 1.025 8.949 3.924 1.00 9.70 O ATOM 781 CB GLN A 49 -1.116 8.655 5.807 1.00 11.67 C ATOM 782 CG GLN A 49 -1.787 8.471 7.193 1.00 15.82 C ATOM 783 CD GLN A 49 -2.857 9.541 7.327 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.959 9.423 6.791 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.515 10.591 8.177 1.00 20.67 N ATOM 0 H GLN A 49 1.219 8.727 6.757 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.504 6.542 5.512 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.645 9.637 5.755 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.875 8.624 5.025 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.226 7.477 7.278 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.050 8.563 7.991 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -1.583 10.630 8.590 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.197 11.320 8.387 1.00 20.67 H new ATOM 794 N LEU A 50 1.028 6.753 3.463 1.00 6.51 N ATOM 795 CA LEU A 50 1.840 6.828 2.244 1.00 7.41 C ATOM 796 C LEU A 50 1.160 7.497 1.063 1.00 8.27 C ATOM 797 O LEU A 50 0.063 7.185 0.613 1.00 8.34 O ATOM 798 CB LEU A 50 2.432 5.410 2.032 1.00 7.13 C ATOM 799 CG LEU A 50 3.182 4.685 3.134 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.312 3.162 2.712 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.553 5.408 3.461 1.00 9.11 C ATOM 0 H LEU A 50 0.688 5.811 3.657 1.00 6.51 H new ATOM 0 HA LEU A 50 2.668 7.528 2.355 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.606 4.764 1.735 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.108 5.475 1.180 1.00 7.13 H new ATOM 0 HG LEU A 50 2.638 4.717 4.078 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.848 2.614 3.487 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.318 2.733 2.586 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.859 3.090 1.772 1.00 8.14 H new ATOM 0 HD21 LEU A 50 5.069 4.867 4.254 1.00 9.11 H new ATOM 0 HD22 LEU A 50 5.177 5.425 2.568 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.357 6.430 3.787 1.00 9.11 H new ATOM 813 N GLU A 51 1.800 8.574 0.542 1.00 9.43 N ATOM 814 CA GLU A 51 1.215 9.468 -0.475 1.00 11.90 C ATOM 815 C GLU A 51 1.397 8.901 -1.809 1.00 11.49 C ATOM 816 O GLU A 51 2.527 8.648 -2.280 1.00 9.88 O ATOM 817 CB GLU A 51 1.794 10.910 -0.282 1.00 16.56 C ATOM 818 CG GLU A 51 1.067 12.074 -1.020 1.00 26.06 C ATOM 819 CD GLU A 51 1.921 13.288 -0.839 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.837 13.978 0.247 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.791 13.661 -1.674 1.00 32.13 O ATOM 0 H GLU A 51 2.743 8.844 0.822 1.00 9.43 H new ATOM 0 HA GLU A 51 0.135 9.557 -0.353 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.794 11.134 0.785 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.835 10.902 -0.606 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.939 11.843 -2.078 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.071 12.234 -0.606 1.00 26.06 H new ATOM 828 N ASP A 52 0.206 8.622 -2.488 1.00 12.71 N ATOM 829 CA ASP A 52 0.190 7.986 -3.808 1.00 16.56 C ATOM 830 C ASP A 52 1.337 8.319 -4.817 1.00 15.83 C ATOM 831 O ASP A 52 1.910 7.385 -5.347 1.00 17.21 O ATOM 832 CB ASP A 52 -1.133 8.448 -4.524 1.00 21.05 C ATOM 833 CG ASP A 52 -2.327 8.061 -3.689 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.889 6.928 -3.863 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.837 8.879 -2.872 1.00 28.37 O ATOM 0 H ASP A 52 -0.720 8.838 -2.118 1.00 12.71 H new ATOM 0 HA ASP A 52 0.298 6.925 -3.583 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.118 9.527 -4.675 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.203 7.989 -5.510 1.00 21.05 H new ATOM 840 N GLY A 53 1.640 9.548 -5.169 1.00 15.00 N ATOM 841 CA GLY A 53 2.666 9.839 -6.209 1.00 11.77 C ATOM 842 C GLY A 53 4.116 9.964 -5.732 1.00 11.10 C ATOM 843 O GLY A 53 5.085 10.472 -6.354 1.00 11.25 O ATOM 0 H GLY A 53 1.205 10.378 -4.765 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.622 9.050 -6.960 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.391 10.769 -6.707 1.00 11.77 H new ATOM 847 N ARG A 54 4.384 9.451 -4.522 1.00 8.53 N ATOM 848 CA ARG A 54 5.650 9.278 -3.959 1.00 9.05 C ATOM 849 C ARG A 54 6.023 7.761 -4.064 1.00 8.96 C ATOM 850 O ARG A 54 5.209 6.817 -4.028 1.00 11.60 O ATOM 851 CB ARG A 54 5.835 9.643 -2.460 1.00 7.97 C ATOM 852 CG ARG A 54 5.312 11.031 -2.026 1.00 9.62 C ATOM 853 CD ARG A 54 5.948 11.534 -0.734 1.00 12.20 C ATOM 854 NE ARG A 54 5.062 12.552 -0.212 1.00 18.23 N ATOM 855 CZ ARG A 54 5.028 12.934 1.095 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.999 12.527 1.883 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.077 13.685 1.588 1.00 23.38 N ATOM 0 H ARG A 54 3.640 9.136 -3.900 1.00 8.53 H new ATOM 0 HA ARG A 54 6.275 9.972 -4.521 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.334 8.885 -1.858 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.897 9.588 -2.222 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.504 11.750 -2.822 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.231 10.981 -1.896 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.069 10.721 -0.019 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.941 11.943 -0.923 1.00 12.20 H new ATOM 0 HE ARG A 54 4.424 13.011 -0.862 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.748 11.943 1.510 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.004 12.795 2.867 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.320 14.009 0.987 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.093 13.946 2.574 1.00 23.38 H new ATOM 871 N THR A 55 7.332 7.525 -4.184 1.00 9.05 N ATOM 872 CA THR A 55 7.855 6.143 -4.248 1.00 9.03 C ATOM 873 C THR A 55 8.247 5.481 -2.910 1.00 8.15 C ATOM 874 O THR A 55 8.502 6.186 -1.937 1.00 5.91 O ATOM 875 CB THR A 55 9.064 5.930 -5.180 1.00 11.15 C ATOM 876 OG1 THR A 55 10.245 6.646 -4.759 1.00 11.95 O ATOM 877 CG2 THR A 55 8.764 6.364 -6.533 1.00 11.71 C ATOM 0 H THR A 55 8.044 8.253 -4.239 1.00 9.05 H new ATOM 0 HA THR A 55 6.961 5.664 -4.647 1.00 9.03 H new ATOM 0 HB THR A 55 9.263 4.859 -5.139 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.022 6.050 -4.803 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.635 6.202 -7.169 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.921 5.792 -6.920 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.511 7.424 -6.527 1.00 11.71 H new ATOM 885 N LEU A 56 8.262 4.127 -2.863 1.00 6.91 N ATOM 886 CA LEU A 56 8.696 3.302 -1.736 1.00 8.29 C ATOM 887 C LEU A 56 10.126 3.728 -1.335 1.00 8.05 C ATOM 888 O LEU A 56 10.453 3.865 -0.144 1.00 10.17 O ATOM 889 CB LEU A 56 8.753 1.862 -2.083 1.00 6.60 C ATOM 890 CG LEU A 56 7.320 1.216 -2.271 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.346 -0.290 -2.780 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.624 1.174 -0.889 1.00 8.64 C ATOM 0 H LEU A 56 7.954 3.563 -3.655 1.00 6.91 H new ATOM 0 HA LEU A 56 7.975 3.444 -0.931 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.325 1.737 -3.002 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.288 1.326 -1.299 1.00 6.60 H new ATOM 0 HG LEU A 56 6.811 1.827 -3.017 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.325 -0.657 -2.882 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.848 -0.339 -3.746 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.883 -0.908 -2.061 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.633 0.732 -0.994 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.218 0.573 -0.200 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.530 2.187 -0.498 1.00 8.64 H new ATOM 904 N SER A 57 10.999 3.992 -2.319 1.00 8.92 N ATOM 905 CA SER A 57 12.384 4.450 -2.198 1.00 9.00 C ATOM 906 C SER A 57 12.425 5.862 -1.552 1.00 9.44 C ATOM 907 O SER A 57 13.379 6.228 -0.878 1.00 10.91 O ATOM 908 CB SER A 57 13.186 4.528 -3.553 1.00 10.32 C ATOM 909 OG SER A 57 12.592 5.277 -4.545 1.00 13.59 O ATOM 0 H SER A 57 10.729 3.881 -3.296 1.00 8.92 H new ATOM 0 HA SER A 57 12.866 3.692 -1.580 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.173 4.943 -3.349 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.337 3.515 -3.926 1.00 10.32 H new ATOM 0 HG SER A 57 13.159 5.270 -5.344 1.00 13.59 H new ATOM 915 N ASP A 58 11.417 6.689 -1.854 1.00 9.11 N ATOM 916 CA ASP A 58 11.312 8.000 -1.217 1.00 7.91 C ATOM 917 C ASP A 58 11.081 7.885 0.329 1.00 9.12 C ATOM 918 O ASP A 58 11.722 8.508 1.169 1.00 8.61 O ATOM 919 CB ASP A 58 10.294 8.838 -1.995 1.00 8.41 C ATOM 920 CG ASP A 58 10.267 10.312 -1.765 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.586 10.907 -0.686 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.935 11.019 -2.733 1.00 10.05 O ATOM 0 H ASP A 58 10.677 6.477 -2.523 1.00 9.11 H new ATOM 0 HA ASP A 58 12.257 8.540 -1.271 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.469 8.671 -3.058 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.301 8.448 -1.770 1.00 8.41 H new ATOM 927 N TYR A 59 10.172 6.947 0.629 1.00 7.97 N ATOM 928 CA TYR A 59 9.746 6.743 1.993 1.00 8.45 C ATOM 929 C TYR A 59 10.689 5.758 2.728 1.00 10.98 C ATOM 930 O TYR A 59 10.454 5.549 3.914 1.00 12.95 O ATOM 931 CB TYR A 59 8.256 6.170 1.881 1.00 7.94 C ATOM 932 CG TYR A 59 7.313 7.274 1.829 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.150 8.245 2.891 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.427 7.304 0.778 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.067 9.146 2.875 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.258 8.109 0.759 1.00 6.52 C ATOM 937 CZ TYR A 59 5.089 8.992 1.877 1.00 6.76 C ATOM 938 OH TYR A 59 3.856 9.698 2.011 1.00 7.63 O ATOM 0 H TYR A 59 9.731 6.332 -0.055 1.00 7.97 H new ATOM 0 HA TYR A 59 9.775 7.663 2.576 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.159 5.553 0.988 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.036 5.530 2.736 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.864 8.279 3.701 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.632 6.681 -0.080 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.990 9.934 3.610 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.541 8.060 -0.047 1.00 6.52 H new ATOM 0 HH TYR A 59 3.876 10.501 1.449 1.00 7.63 H new ATOM 948 N ASN A 60 11.794 5.298 2.079 1.00 12.38 N ATOM 949 CA ASN A 60 12.808 4.399 2.525 1.00 13.94 C ATOM 950 C ASN A 60 12.219 3.146 3.101 1.00 14.16 C ATOM 951 O ASN A 60 12.750 2.614 4.067 1.00 14.26 O ATOM 952 CB ASN A 60 13.688 5.186 3.550 1.00 19.23 C ATOM 953 CG ASN A 60 14.201 6.493 2.928 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.874 7.524 3.510 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.948 6.399 1.785 1.00 24.09 N ATOM 0 H ASN A 60 11.984 5.605 1.125 1.00 12.38 H new ATOM 0 HA ASN A 60 13.426 4.059 1.694 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.105 5.406 4.444 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.531 4.570 3.863 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.293 7.244 1.330 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.160 5.484 1.388 1.00 24.09 H new ATOM 962 N ILE A 61 11.131 2.546 2.488 1.00 11.08 N ATOM 963 CA ILE A 61 10.505 1.268 2.893 1.00 11.78 C ATOM 964 C ILE A 61 11.283 0.224 2.230 1.00 13.74 C ATOM 965 O ILE A 61 11.471 0.256 1.052 1.00 14.60 O ATOM 966 CB ILE A 61 8.972 1.183 2.536 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.288 2.331 3.210 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.363 -0.195 2.949 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.740 2.355 2.839 1.00 11.42 C ATOM 0 H ILE A 61 10.670 2.966 1.681 1.00 11.08 H new ATOM 0 HA ILE A 61 10.524 1.160 3.977 1.00 11.78 H new ATOM 0 HB ILE A 61 8.828 1.253 1.458 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.408 2.249 4.290 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.755 3.268 2.907 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.305 -0.218 2.688 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.884 -0.995 2.423 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.475 -0.334 4.024 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.259 3.196 3.338 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.626 2.460 1.760 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.273 1.425 3.164 1.00 11.42 H new ATOM 981 N GLN A 62 11.845 -0.715 3.054 1.00 13.97 N ATOM 982 CA GLN A 62 12.631 -1.835 2.488 1.00 15.52 C ATOM 983 C GLN A 62 11.880 -3.176 2.449 1.00 13.94 C ATOM 984 O GLN A 62 10.819 -3.403 3.020 1.00 12.15 O ATOM 985 CB GLN A 62 13.865 -2.036 3.504 1.00 19.53 C ATOM 986 CG GLN A 62 14.527 -0.784 3.966 1.00 26.38 C ATOM 987 CD GLN A 62 15.589 -1.025 5.071 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.373 -0.504 6.164 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.748 -1.656 4.708 1.00 32.71 N ATOM 0 H GLN A 62 11.768 -0.713 4.071 1.00 13.97 H new ATOM 0 HA GLN A 62 12.895 -1.585 1.460 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.508 -2.581 4.378 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.613 -2.664 3.020 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.002 -0.297 3.115 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.769 -0.098 4.343 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.838 -2.061 3.776 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.522 -1.722 5.369 1.00 32.71 H new ATOM 998 N LYS A 63 12.428 -4.133 1.712 1.00 11.73 N ATOM 999 CA LYS A 63 12.090 -5.555 1.691 1.00 11.97 C ATOM 1000 C LYS A 63 11.555 -6.144 3.058 1.00 10.41 C ATOM 1001 O LYS A 63 12.089 -5.795 4.125 1.00 9.59 O ATOM 1002 CB LYS A 63 13.268 -6.465 1.279 1.00 13.73 C ATOM 1003 CG LYS A 63 14.547 -6.281 2.076 1.00 16.98 C ATOM 1004 CD LYS A 63 15.228 -7.611 2.332 1.00 20.19 C ATOM 1005 CE LYS A 63 15.701 -8.378 1.031 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.340 -9.595 1.417 1.00 25.97 N ATOM 0 H LYS A 63 13.182 -3.920 1.059 1.00 11.73 H new ATOM 0 HA LYS A 63 11.293 -5.569 0.947 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.951 -7.504 1.370 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.488 -6.290 0.226 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.224 -5.621 1.535 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.321 -5.796 3.026 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.094 -7.442 2.972 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.543 -8.253 2.886 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.848 -8.589 0.387 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.389 -7.757 0.457 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.655 -10.106 0.568 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.162 -9.380 2.016 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.669 -10.186 1.948 1.00 25.97 H new ATOM 1020 N GLU A 64 10.458 -6.914 2.972 1.00 10.04 N ATOM 1021 CA GLU A 64 9.802 -7.481 4.150 1.00 10.94 C ATOM 1022 C GLU A 64 9.239 -6.502 5.170 1.00 9.74 C ATOM 1023 O GLU A 64 9.278 -6.713 6.401 1.00 9.42 O ATOM 1024 CB GLU A 64 10.775 -8.502 4.824 1.00 18.31 C ATOM 1025 CG GLU A 64 11.365 -9.552 3.845 1.00 24.16 C ATOM 1026 CD GLU A 64 11.702 -10.806 4.564 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.459 -10.947 5.767 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.281 -11.704 3.890 1.00 31.72 O ATOM 0 H GLU A 64 10.008 -7.156 2.089 1.00 10.04 H new ATOM 0 HA GLU A 64 8.903 -7.966 3.770 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.594 -7.954 5.290 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.244 -9.022 5.622 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.646 -9.763 3.053 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.258 -9.150 3.367 1.00 24.16 H new ATOM 1035 N SER A 65 8.616 -5.411 4.704 1.00 6.85 N ATOM 1036 CA SER A 65 7.864 -4.443 5.478 1.00 6.90 C ATOM 1037 C SER A 65 6.417 -4.674 5.349 1.00 4.72 C ATOM 1038 O SER A 65 5.944 -4.905 4.202 1.00 3.91 O ATOM 1039 CB SER A 65 8.076 -3.010 4.936 1.00 7.28 C ATOM 1040 OG SER A 65 9.415 -2.591 5.028 1.00 10.56 O ATOM 0 H SER A 65 8.631 -5.176 3.712 1.00 6.85 H new ATOM 0 HA SER A 65 8.211 -4.551 6.506 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.757 -2.968 3.895 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.443 -2.318 5.492 1.00 7.28 H new ATOM 0 HG SER A 65 9.977 -3.168 4.470 1.00 10.56 H new ATOM 1046 N THR A 66 5.657 -4.708 6.421 1.00 4.48 N ATOM 1047 CA THR A 66 4.223 -5.027 6.549 1.00 3.80 C ATOM 1048 C THR A 66 3.473 -3.763 6.496 1.00 4.60 C ATOM 1049 O THR A 66 3.486 -2.977 7.462 1.00 5.33 O ATOM 1050 CB THR A 66 3.781 -5.664 7.859 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.659 -6.787 8.152 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.381 -6.211 7.715 1.00 3.40 C ATOM 0 H THR A 66 6.058 -4.491 7.333 1.00 4.48 H new ATOM 0 HA THR A 66 4.036 -5.741 5.747 1.00 3.80 H new ATOM 0 HB THR A 66 3.816 -4.914 8.650 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.385 -7.205 8.995 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.070 -6.666 8.655 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.698 -5.401 7.460 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.363 -6.962 6.925 1.00 3.40 H new ATOM 1060 N LEU A 67 2.748 -3.470 5.387 1.00 4.17 N ATOM 1061 CA LEU A 67 1.780 -2.387 5.216 1.00 3.85 C ATOM 1062 C LEU A 67 0.419 -2.790 5.793 1.00 3.80 C ATOM 1063 O LEU A 67 0.124 -3.962 6.046 1.00 5.54 O ATOM 1064 CB LEU A 67 1.609 -1.887 3.753 1.00 7.18 C ATOM 1065 CG LEU A 67 2.976 -1.530 3.025 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.719 -0.833 1.678 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.808 -0.461 3.830 1.00 11.66 C ATOM 0 H LEU A 67 2.840 -4.029 4.539 1.00 4.17 H new ATOM 0 HA LEU A 67 2.196 -1.544 5.768 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.092 -2.654 3.176 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.969 -1.004 3.754 1.00 7.18 H new ATOM 0 HG LEU A 67 3.499 -2.481 2.927 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.671 -0.600 1.201 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.141 -1.493 1.031 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.162 0.089 1.846 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.735 -0.245 3.298 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.225 0.455 3.929 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.041 -0.852 4.821 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.336 -1.749 6.120 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.633 -1.922 6.640 1.00 4.17 C ATOM 1081 C HIS A 68 -2.466 -1.123 5.610 1.00 5.32 C ATOM 1082 O HIS A 68 -2.186 0.004 5.221 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.849 -1.207 7.959 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.507 -2.081 9.175 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.321 -3.132 9.548 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.379 -2.199 9.818 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.657 -3.819 10.486 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.457 -3.296 10.639 1.00 16.30 N ATOM 0 H HIS A 68 -0.044 -0.777 6.023 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.861 -2.976 6.797 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.237 -0.305 7.982 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.889 -0.888 8.028 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.474 -1.543 9.721 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.044 -4.667 11.031 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.279 -3.643 11.255 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.595 -1.699 5.152 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.579 -1.037 4.293 1.00 3.97 C ATOM 1098 C LEU A 69 -5.856 -0.744 5.082 1.00 5.07 C ATOM 1099 O LEU A 69 -6.410 -1.681 5.676 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.912 -2.020 3.149 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.013 -1.708 2.102 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.790 -2.129 0.681 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.437 -2.138 2.514 1.00 9.96 C ATOM 0 H LEU A 69 -3.848 -2.661 5.378 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.182 -0.096 3.913 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.988 -2.186 2.596 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.179 -2.969 3.615 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.922 -0.622 2.111 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.649 -1.839 0.076 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.894 -1.644 0.294 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.664 -3.211 0.637 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -8.139 -1.880 1.721 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.458 -3.215 2.681 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.721 -1.623 3.432 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.364 0.481 4.973 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.744 0.890 5.389 1.00 6.26 C ATOM 1117 C VAL A 70 -8.471 1.571 4.193 1.00 9.22 C ATOM 1118 O VAL A 70 -7.963 1.858 3.112 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.850 1.786 6.549 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.987 1.139 7.675 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -7.318 3.193 6.360 1.00 8.54 C ATOM 0 H VAL A 70 -5.827 1.256 4.583 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.206 -0.047 5.700 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.915 1.891 6.758 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.027 1.763 8.568 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.376 0.148 7.907 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.954 1.053 7.338 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -7.451 3.759 7.282 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.258 3.151 6.110 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.862 3.682 5.552 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.752 1.766 4.414 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.601 2.441 3.451 1.00 16.06 C ATOM 1133 C LEU A 71 -10.318 3.966 3.394 1.00 18.09 C ATOM 1134 O LEU A 71 -10.307 4.662 4.407 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.052 2.171 3.743 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.486 0.703 3.351 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.819 0.338 4.109 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -12.807 0.669 1.870 1.00 19.57 C ATOM 0 H LEU A 71 -10.235 1.464 5.260 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.365 2.036 2.467 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.241 2.331 4.804 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.668 2.886 3.198 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.683 0.011 3.605 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.124 -0.674 3.843 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.653 0.396 5.185 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.603 1.040 3.825 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -13.108 -0.339 1.586 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.620 1.364 1.658 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -11.924 0.958 1.300 1.00 19.57 H new