USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 773 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 41 HIS : no HE2:sc= -1.46 K(o=-2.9,f=-5.2!) USER MOD Set 1.2: A 45 HIS :FLIP no HD1:sc= -1.12 X(o=-3.1,f=-2.9) USER MOD Set 1.3: A 49 HIS :FLIP no HE2:sc= -0.279 F(o=-5.2,f=-2.9) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.464 X(o=-1.4,f=-1.6) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.965 K(o=-1.4,f=-6.2!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0178) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.743 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -4.44! C(o=-4.4!,f=-10!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0733 X(o=-0.073,f=-0.57) USER MOD Single : A 39 SER OG : rot -48:sc= 0.538 USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.275) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.555 X(o=-0.56,f=-0.32) USER MOD Single : A 51 SER OG : rot 180:sc= -0.532 USER MOD Single : A 52 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.0021) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -106:sc= -2.98 (180deg=-5.46!) USER MOD Single : A 61 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 66.255 -5.731 -9.898 1.00 0.00 N ATOM 2 CA PRO A 1 67.432 -5.235 -9.117 1.00 0.00 C ATOM 3 C PRO A 1 68.265 -4.289 -9.986 1.00 0.00 C ATOM 4 O PRO A 1 67.815 -3.812 -11.008 1.00 0.00 O ATOM 5 CB PRO A 1 68.276 -6.441 -8.709 1.00 0.00 C ATOM 6 CG PRO A 1 67.588 -7.684 -9.257 1.00 0.00 C ATOM 7 CD PRO A 1 66.332 -7.221 -9.994 1.00 0.00 C ATOM 0 H2 PRO A 1 66.250 -5.317 -10.830 1.00 0.00 H new ATOM 0 H3 PRO A 1 65.386 -5.451 -9.443 1.00 0.00 H new ATOM 0 HA PRO A 1 67.098 -4.694 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 1 69.287 -6.355 -9.107 1.00 0.00 H new ATOM 0 HB3 PRO A 1 68.365 -6.498 -7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 1 68.252 -8.225 -9.932 1.00 0.00 H new ATOM 0 HG3 PRO A 1 67.329 -8.368 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 1 66.367 -7.533 -11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 1 65.444 -7.676 -9.555 1.00 0.00 H new ATOM 17 N ILE A 2 69.477 -4.016 -9.587 1.00 0.00 N ATOM 18 CA ILE A 2 70.336 -3.101 -10.390 1.00 0.00 C ATOM 19 C ILE A 2 70.413 -3.611 -11.830 1.00 0.00 C ATOM 20 O ILE A 2 70.202 -4.778 -12.097 1.00 0.00 O ATOM 21 CB ILE A 2 71.743 -3.057 -9.791 1.00 0.00 C ATOM 22 CG1 ILE A 2 71.648 -3.044 -8.263 1.00 0.00 C ATOM 23 CG2 ILE A 2 72.461 -1.792 -10.265 1.00 0.00 C ATOM 24 CD1 ILE A 2 71.942 -4.445 -7.721 1.00 0.00 C ATOM 0 H ILE A 2 69.909 -4.387 -8.741 1.00 0.00 H new ATOM 0 HA ILE A 2 69.907 -2.099 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 2 72.301 -3.936 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 2 72.357 -2.327 -7.850 1.00 0.00 H new ATOM 0 HG13 ILE A 2 70.653 -2.724 -7.953 1.00 0.00 H new ATOM 0 HG21 ILE A 2 73.463 -1.761 -9.838 1.00 0.00 H new ATOM 0 HG22 ILE A 2 72.530 -1.799 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 2 71.902 -0.914 -9.942 1.00 0.00 H new ATOM 0 HD11 ILE A 2 71.874 -4.436 -6.633 1.00 0.00 H new ATOM 0 HD12 ILE A 2 71.216 -5.151 -8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 2 72.946 -4.747 -8.020 1.00 0.00 H new ATOM 36 N THR A 3 70.714 -2.747 -12.760 1.00 0.00 N ATOM 37 CA THR A 3 70.804 -3.181 -14.177 1.00 0.00 C ATOM 38 C THR A 3 71.435 -2.065 -15.020 1.00 0.00 C ATOM 39 O THR A 3 72.047 -1.151 -14.502 1.00 0.00 O ATOM 40 CB THR A 3 69.397 -3.548 -14.694 1.00 0.00 C ATOM 41 OG1 THR A 3 69.495 -4.694 -15.527 1.00 0.00 O ATOM 42 CG2 THR A 3 68.775 -2.395 -15.496 1.00 0.00 C ATOM 0 H THR A 3 70.901 -1.758 -12.596 1.00 0.00 H new ATOM 0 HA THR A 3 71.438 -4.064 -14.256 1.00 0.00 H new ATOM 0 HB THR A 3 68.757 -3.750 -13.835 1.00 0.00 H new ATOM 0 HG1 THR A 3 68.605 -4.935 -15.858 1.00 0.00 H new ATOM 0 HG21 THR A 3 67.785 -2.687 -15.845 1.00 0.00 H new ATOM 0 HG22 THR A 3 68.690 -1.514 -14.860 1.00 0.00 H new ATOM 0 HG23 THR A 3 69.408 -2.165 -16.353 1.00 0.00 H new ATOM 50 N LYS A 4 71.293 -2.138 -16.314 1.00 0.00 N ATOM 51 CA LYS A 4 71.885 -1.090 -17.190 1.00 0.00 C ATOM 52 C LYS A 4 71.599 0.297 -16.607 1.00 0.00 C ATOM 53 O LYS A 4 72.414 0.864 -15.905 1.00 0.00 O ATOM 54 CB LYS A 4 71.271 -1.189 -18.589 1.00 0.00 C ATOM 55 CG LYS A 4 71.803 -0.049 -19.460 1.00 0.00 C ATOM 56 CD LYS A 4 71.187 -0.144 -20.857 1.00 0.00 C ATOM 57 CE LYS A 4 71.852 -1.282 -21.633 1.00 0.00 C ATOM 58 NZ LYS A 4 71.532 -1.147 -23.082 1.00 0.00 N ATOM 0 H LYS A 4 70.792 -2.880 -16.803 1.00 0.00 H new ATOM 0 HA LYS A 4 72.963 -1.240 -17.251 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.518 -2.151 -19.039 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.184 -1.136 -18.526 1.00 0.00 H new ATOM 0 HG2 LYS A 4 71.559 0.912 -19.008 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.890 -0.104 -19.526 1.00 0.00 H new ATOM 0 HD2 LYS A 4 70.114 -0.320 -20.781 1.00 0.00 H new ATOM 0 HD3 LYS A 4 71.319 0.798 -21.389 1.00 0.00 H new ATOM 0 HE2 LYS A 4 72.931 -1.256 -21.484 1.00 0.00 H new ATOM 0 HE3 LYS A 4 71.502 -2.244 -21.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 71.984 -1.920 -23.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 70.502 -1.192 -23.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 71.887 -0.234 -23.432 1.00 0.00 H new ATOM 72 N GLU A 5 70.455 0.856 -16.901 1.00 0.00 N ATOM 73 CA GLU A 5 70.131 2.208 -16.375 1.00 0.00 C ATOM 74 C GLU A 5 69.430 2.094 -15.029 1.00 0.00 C ATOM 75 O GLU A 5 68.804 3.020 -14.554 1.00 0.00 O ATOM 76 CB GLU A 5 69.224 2.934 -17.360 1.00 0.00 C ATOM 77 CG GLU A 5 70.040 3.950 -18.161 1.00 0.00 C ATOM 78 CD GLU A 5 69.295 4.302 -19.450 1.00 0.00 C ATOM 79 OE1 GLU A 5 69.265 3.469 -20.341 1.00 0.00 O ATOM 80 OE2 GLU A 5 68.766 5.400 -19.524 1.00 0.00 O ATOM 0 H GLU A 5 69.733 0.432 -17.483 1.00 0.00 H new ATOM 0 HA GLU A 5 71.057 2.769 -16.247 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.756 2.217 -18.034 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.421 3.440 -16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 5 70.205 4.849 -17.567 1.00 0.00 H new ATOM 0 HG3 GLU A 5 71.022 3.539 -18.397 1.00 0.00 H new ATOM 87 N GLU A 6 69.545 0.967 -14.416 1.00 0.00 N ATOM 88 CA GLU A 6 68.905 0.766 -13.091 1.00 0.00 C ATOM 89 C GLU A 6 69.853 1.224 -11.994 1.00 0.00 C ATOM 90 O GLU A 6 69.589 1.095 -10.815 1.00 0.00 O ATOM 91 CB GLU A 6 68.592 -0.709 -12.902 1.00 0.00 C ATOM 92 CG GLU A 6 67.210 -1.022 -13.480 1.00 0.00 C ATOM 93 CD GLU A 6 66.130 -0.477 -12.545 1.00 0.00 C ATOM 94 OE1 GLU A 6 66.023 0.734 -12.438 1.00 0.00 O ATOM 95 OE2 GLU A 6 65.428 -1.279 -11.951 1.00 0.00 O ATOM 0 H GLU A 6 70.059 0.162 -14.774 1.00 0.00 H new ATOM 0 HA GLU A 6 67.984 1.346 -13.041 1.00 0.00 H new ATOM 0 HB2 GLU A 6 69.350 -1.317 -13.396 1.00 0.00 H new ATOM 0 HB3 GLU A 6 68.620 -0.964 -11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 6 67.108 -0.576 -14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 6 67.091 -2.099 -13.602 1.00 0.00 H new ATOM 102 N LYS A 7 70.952 1.760 -12.392 1.00 0.00 N ATOM 103 CA LYS A 7 71.959 2.249 -11.419 1.00 0.00 C ATOM 104 C LYS A 7 72.317 3.701 -11.743 1.00 0.00 C ATOM 105 O LYS A 7 72.629 4.484 -10.869 1.00 0.00 O ATOM 106 CB LYS A 7 73.216 1.383 -11.506 1.00 0.00 C ATOM 107 CG LYS A 7 73.839 1.526 -12.896 1.00 0.00 C ATOM 108 CD LYS A 7 74.929 2.598 -12.858 1.00 0.00 C ATOM 109 CE LYS A 7 76.290 1.936 -12.643 1.00 0.00 C ATOM 110 NZ LYS A 7 77.147 2.161 -13.842 1.00 0.00 N ATOM 0 H LYS A 7 71.208 1.886 -13.371 1.00 0.00 H new ATOM 0 HA LYS A 7 71.548 2.191 -10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.932 1.685 -10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 7 72.966 0.340 -11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.262 0.574 -13.217 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.073 1.796 -13.623 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.931 3.163 -13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.728 3.308 -12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.771 2.349 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.163 0.868 -12.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.073 1.711 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.689 1.747 -14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.278 3.182 -13.988 1.00 0.00 H new ATOM 124 N GLN A 8 72.276 4.067 -12.995 1.00 0.00 N ATOM 125 CA GLN A 8 72.614 5.468 -13.371 1.00 0.00 C ATOM 126 C GLN A 8 71.800 6.436 -12.509 1.00 0.00 C ATOM 127 O GLN A 8 72.212 7.549 -12.250 1.00 0.00 O ATOM 128 CB GLN A 8 72.286 5.695 -14.848 1.00 0.00 C ATOM 129 CG GLN A 8 70.795 5.448 -15.085 1.00 0.00 C ATOM 130 CD GLN A 8 70.158 6.703 -15.682 1.00 0.00 C ATOM 131 OE1 GLN A 8 70.626 7.223 -16.675 1.00 0.00 O ATOM 132 NE2 GLN A 8 69.100 7.216 -15.114 1.00 0.00 N ATOM 0 H GLN A 8 72.023 3.457 -13.772 1.00 0.00 H new ATOM 0 HA GLN A 8 73.677 5.643 -13.207 1.00 0.00 H new ATOM 0 HB2 GLN A 8 72.547 6.713 -15.137 1.00 0.00 H new ATOM 0 HB3 GLN A 8 72.880 5.025 -15.470 1.00 0.00 H new ATOM 0 HG2 GLN A 8 70.658 4.602 -15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 8 70.305 5.190 -14.146 1.00 0.00 H new ATOM 0 HE21 GLN A 8 68.707 6.780 -14.280 1.00 0.00 H new ATOM 0 HE22 GLN A 8 68.667 8.053 -15.504 1.00 0.00 H new ATOM 141 N LYS A 9 70.647 6.021 -12.060 1.00 0.00 N ATOM 142 CA LYS A 9 69.811 6.914 -11.216 1.00 0.00 C ATOM 143 C LYS A 9 70.301 6.853 -9.768 1.00 0.00 C ATOM 144 O LYS A 9 70.250 7.827 -9.043 1.00 0.00 O ATOM 145 CB LYS A 9 68.351 6.459 -11.282 1.00 0.00 C ATOM 146 CG LYS A 9 68.219 5.073 -10.648 1.00 0.00 C ATOM 147 CD LYS A 9 66.792 4.559 -10.837 1.00 0.00 C ATOM 148 CE LYS A 9 66.011 4.726 -9.533 1.00 0.00 C ATOM 149 NZ LYS A 9 65.256 6.012 -9.567 1.00 0.00 N ATOM 0 H LYS A 9 70.249 5.100 -12.243 1.00 0.00 H new ATOM 0 HA LYS A 9 69.889 7.938 -11.582 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.713 7.172 -10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.015 6.430 -12.318 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.929 4.383 -11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.461 5.123 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.300 5.108 -11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.808 3.510 -11.131 1.00 0.00 H new ATOM 0 HE2 LYS A 9 65.323 3.891 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.694 4.715 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.672 6.094 -8.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 65.926 6.807 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.643 6.033 -10.407 1.00 0.00 H new ATOM 163 N VAL A 10 70.774 5.714 -9.342 1.00 0.00 N ATOM 164 CA VAL A 10 71.267 5.584 -7.944 1.00 0.00 C ATOM 165 C VAL A 10 72.421 6.559 -7.713 1.00 0.00 C ATOM 166 O VAL A 10 72.431 7.313 -6.761 1.00 0.00 O ATOM 167 CB VAL A 10 71.753 4.153 -7.707 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.505 4.082 -6.378 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.551 3.208 -7.665 1.00 0.00 C ATOM 0 H VAL A 10 70.840 4.866 -9.905 1.00 0.00 H new ATOM 0 HA VAL A 10 70.457 5.814 -7.252 1.00 0.00 H new ATOM 0 HB VAL A 10 72.420 3.857 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.851 3.062 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.362 4.755 -6.408 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.839 4.378 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 10 70.896 2.188 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 10 69.884 3.504 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.016 3.258 -8.613 1.00 0.00 H new ATOM 179 N ILE A 11 73.396 6.544 -8.576 1.00 0.00 N ATOM 180 CA ILE A 11 74.553 7.462 -8.409 1.00 0.00 C ATOM 181 C ILE A 11 74.131 8.872 -8.784 1.00 0.00 C ATOM 182 O ILE A 11 74.411 9.832 -8.099 1.00 0.00 O ATOM 183 CB ILE A 11 75.720 6.994 -9.291 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.724 7.657 -10.684 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.661 5.476 -9.452 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.716 6.971 -11.598 1.00 0.00 C ATOM 0 H ILE A 11 73.441 5.934 -9.392 1.00 0.00 H new ATOM 0 HA ILE A 11 74.883 7.455 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 11 76.640 7.294 -8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.480 8.715 -10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.721 7.597 -11.120 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.489 5.144 -10.078 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.734 5.003 -8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.717 5.196 -9.920 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.729 7.449 -12.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.978 5.918 -11.704 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.718 7.054 -11.167 1.00 0.00 H new ATOM 198 N GLN A 12 73.459 8.983 -9.879 1.00 0.00 N ATOM 199 CA GLN A 12 72.980 10.317 -10.354 1.00 0.00 C ATOM 200 C GLN A 12 72.541 11.128 -9.138 1.00 0.00 C ATOM 201 O GLN A 12 72.738 12.324 -9.060 1.00 0.00 O ATOM 202 CB GLN A 12 71.794 10.132 -11.304 1.00 0.00 C ATOM 203 CG GLN A 12 72.267 10.283 -12.751 1.00 0.00 C ATOM 204 CD GLN A 12 71.120 9.940 -13.702 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.119 9.387 -13.290 1.00 0.00 O ATOM 206 NE2 GLN A 12 71.222 10.246 -14.966 1.00 0.00 N ATOM 0 H GLN A 12 73.211 8.200 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 12 73.778 10.835 -10.885 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.348 9.148 -11.157 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.021 10.869 -11.085 1.00 0.00 H new ATOM 0 HG2 GLN A 12 72.608 11.303 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 12 73.117 9.626 -12.937 1.00 0.00 H new ATOM 0 HE21 GLN A 12 72.062 10.710 -15.312 1.00 0.00 H new ATOM 0 HE22 GLN A 12 70.462 10.021 -15.608 1.00 0.00 H new ATOM 215 N GLU A 13 71.976 10.458 -8.174 1.00 0.00 N ATOM 216 CA GLU A 13 71.550 11.142 -6.932 1.00 0.00 C ATOM 217 C GLU A 13 72.707 11.089 -5.932 1.00 0.00 C ATOM 218 O GLU A 13 72.957 12.024 -5.198 1.00 0.00 O ATOM 219 CB GLU A 13 70.326 10.436 -6.347 1.00 0.00 C ATOM 220 CG GLU A 13 69.053 11.123 -6.843 1.00 0.00 C ATOM 221 CD GLU A 13 68.295 11.717 -5.655 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.471 11.015 -5.091 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.552 12.864 -5.327 1.00 0.00 O ATOM 0 H GLU A 13 71.791 9.455 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 13 71.287 12.178 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.323 9.387 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.365 10.461 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.305 11.908 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.422 10.406 -7.369 1.00 0.00 H new ATOM 230 N PHE A 14 73.415 9.990 -5.908 1.00 0.00 N ATOM 231 CA PHE A 14 74.559 9.847 -4.976 1.00 0.00 C ATOM 232 C PHE A 14 75.829 10.396 -5.630 1.00 0.00 C ATOM 233 O PHE A 14 76.361 11.409 -5.219 1.00 0.00 O ATOM 234 CB PHE A 14 74.756 8.368 -4.640 1.00 0.00 C ATOM 235 CG PHE A 14 73.778 7.961 -3.565 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.402 8.029 -3.808 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.249 7.517 -2.323 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.495 7.652 -2.811 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.342 7.140 -1.326 1.00 0.00 C ATOM 240 CZ PHE A 14 71.965 7.207 -1.570 1.00 0.00 C ATOM 0 H PHE A 14 73.243 9.180 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 14 74.355 10.406 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.607 7.759 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.778 8.194 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.039 8.373 -4.766 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.311 7.466 -2.135 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.433 7.704 -2.999 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.704 6.797 -0.368 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.265 6.915 -0.801 1.00 0.00 H new ATOM 250 N ALA A 15 76.321 9.736 -6.644 1.00 0.00 N ATOM 251 CA ALA A 15 77.555 10.222 -7.318 1.00 0.00 C ATOM 252 C ALA A 15 77.304 11.601 -7.920 1.00 0.00 C ATOM 253 O ALA A 15 76.387 11.795 -8.693 1.00 0.00 O ATOM 254 CB ALA A 15 77.942 9.255 -8.436 1.00 0.00 C ATOM 0 H ALA A 15 75.921 8.882 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 15 78.360 10.282 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.846 9.612 -8.929 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.125 8.266 -8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.132 9.196 -9.163 1.00 0.00 H new ATOM 260 N ARG A 16 78.119 12.562 -7.586 1.00 0.00 N ATOM 261 CA ARG A 16 77.929 13.921 -8.159 1.00 0.00 C ATOM 262 C ARG A 16 78.800 14.052 -9.403 1.00 0.00 C ATOM 263 O ARG A 16 79.247 15.125 -9.758 1.00 0.00 O ATOM 264 CB ARG A 16 78.327 14.980 -7.129 1.00 0.00 C ATOM 265 CG ARG A 16 79.725 14.668 -6.591 1.00 0.00 C ATOM 266 CD ARG A 16 79.612 14.083 -5.182 1.00 0.00 C ATOM 267 NE ARG A 16 79.571 15.191 -4.187 1.00 0.00 N ATOM 268 CZ ARG A 16 79.292 14.937 -2.938 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.197 14.410 -2.161 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.107 15.211 -2.466 1.00 0.00 N ATOM 0 H ARG A 16 78.905 12.465 -6.943 1.00 0.00 H new ATOM 0 HA ARG A 16 76.882 14.069 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.314 15.970 -7.585 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.606 14.996 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.230 13.962 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.330 15.575 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.712 13.473 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.460 13.429 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 16 79.761 16.149 -4.482 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.124 14.196 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 16 79.978 14.212 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.399 15.624 -3.073 1.00 0.00 H new ATOM 0 HH22 ARG A 16 77.889 15.013 -1.490 1.00 0.00 H new ATOM 284 N PHE A 17 79.045 12.958 -10.061 1.00 0.00 N ATOM 285 CA PHE A 17 79.890 12.986 -11.283 1.00 0.00 C ATOM 286 C PHE A 17 79.784 11.633 -11.983 1.00 0.00 C ATOM 287 O PHE A 17 79.262 10.689 -11.424 1.00 0.00 O ATOM 288 CB PHE A 17 81.345 13.241 -10.877 1.00 0.00 C ATOM 289 CG PHE A 17 81.657 14.714 -10.995 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.218 15.440 -12.109 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.385 15.355 -9.985 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.508 16.805 -12.213 1.00 0.00 C ATOM 293 CE2 PHE A 17 82.675 16.720 -10.089 1.00 0.00 C ATOM 294 CZ PHE A 17 82.237 17.446 -11.204 1.00 0.00 C ATOM 0 H PHE A 17 78.693 12.036 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 17 79.557 13.776 -11.956 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.511 12.905 -9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.016 12.665 -11.514 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.656 14.946 -12.888 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.723 14.796 -9.125 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.169 17.365 -13.072 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.236 17.214 -9.310 1.00 0.00 H new ATOM 0 HZ PHE A 17 82.461 18.499 -11.285 1.00 0.00 H new ATOM 304 N PRO A 18 80.296 11.571 -13.181 1.00 0.00 N ATOM 305 CA PRO A 18 80.288 10.333 -13.975 1.00 0.00 C ATOM 306 C PRO A 18 81.317 9.350 -13.411 1.00 0.00 C ATOM 307 O PRO A 18 81.469 8.245 -13.893 1.00 0.00 O ATOM 308 CB PRO A 18 80.661 10.804 -15.384 1.00 0.00 C ATOM 309 CG PRO A 18 81.386 12.159 -15.211 1.00 0.00 C ATOM 310 CD PRO A 18 80.935 12.722 -13.854 1.00 0.00 C ATOM 0 HA PRO A 18 79.333 9.807 -13.963 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.306 10.078 -15.878 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.772 10.915 -16.005 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.468 12.027 -15.237 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.129 12.843 -16.020 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.780 13.101 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.236 13.550 -13.978 1.00 0.00 H new ATOM 318 N GLY A 19 82.017 9.746 -12.380 1.00 0.00 N ATOM 319 CA GLY A 19 83.028 8.843 -11.765 1.00 0.00 C ATOM 320 C GLY A 19 82.884 8.885 -10.240 1.00 0.00 C ATOM 321 O GLY A 19 83.638 8.259 -9.522 1.00 0.00 O ATOM 0 H GLY A 19 81.930 10.661 -11.937 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.890 7.824 -12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.032 9.151 -12.056 1.00 0.00 H new ATOM 325 N ASP A 20 81.920 9.618 -9.736 1.00 0.00 N ATOM 326 CA ASP A 20 81.737 9.690 -8.262 1.00 0.00 C ATOM 327 C ASP A 20 80.777 8.597 -7.811 1.00 0.00 C ATOM 328 O ASP A 20 80.195 8.653 -6.746 1.00 0.00 O ATOM 329 CB ASP A 20 81.188 11.063 -7.871 1.00 0.00 C ATOM 330 CG ASP A 20 82.311 11.914 -7.275 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.597 11.743 -6.101 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.866 12.720 -8.002 1.00 0.00 O ATOM 0 H ASP A 20 81.257 10.166 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 20 82.700 9.544 -7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.766 11.560 -8.745 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.380 10.950 -7.148 1.00 0.00 H new ATOM 337 N THR A 21 80.629 7.599 -8.618 1.00 0.00 N ATOM 338 CA THR A 21 79.729 6.465 -8.270 1.00 0.00 C ATOM 339 C THR A 21 80.569 5.362 -7.637 1.00 0.00 C ATOM 340 O THR A 21 80.073 4.518 -6.918 1.00 0.00 O ATOM 341 CB THR A 21 79.053 5.934 -9.536 1.00 0.00 C ATOM 342 OG1 THR A 21 78.567 4.620 -9.297 1.00 0.00 O ATOM 343 CG2 THR A 21 80.065 5.907 -10.680 1.00 0.00 C ATOM 0 H THR A 21 81.098 7.513 -9.520 1.00 0.00 H new ATOM 0 HA THR A 21 78.959 6.798 -7.574 1.00 0.00 H new ATOM 0 HB THR A 21 78.221 6.584 -9.805 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.428 4.162 -10.152 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.584 5.529 -11.582 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.436 6.916 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.898 5.257 -10.413 1.00 0.00 H new ATOM 351 N GLY A 22 81.849 5.380 -7.886 1.00 0.00 N ATOM 352 CA GLY A 22 82.739 4.351 -7.287 1.00 0.00 C ATOM 353 C GLY A 22 83.218 4.854 -5.926 1.00 0.00 C ATOM 354 O GLY A 22 83.858 4.143 -5.178 1.00 0.00 O ATOM 0 H GLY A 22 82.316 6.065 -8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.205 3.407 -7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.590 4.160 -7.941 1.00 0.00 H new ATOM 358 N SER A 23 82.910 6.083 -5.600 1.00 0.00 N ATOM 359 CA SER A 23 83.343 6.637 -4.287 1.00 0.00 C ATOM 360 C SER A 23 82.905 5.693 -3.166 1.00 0.00 C ATOM 361 O SER A 23 82.407 4.612 -3.411 1.00 0.00 O ATOM 362 CB SER A 23 82.704 8.010 -4.077 1.00 0.00 C ATOM 363 OG SER A 23 83.344 8.665 -2.991 1.00 0.00 O ATOM 0 H SER A 23 82.378 6.725 -6.187 1.00 0.00 H new ATOM 0 HA SER A 23 84.428 6.736 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.796 8.609 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.639 7.901 -3.874 1.00 0.00 H new ATOM 0 HG SER A 23 82.938 9.546 -2.855 1.00 0.00 H new ATOM 369 N THR A 24 83.085 6.091 -1.936 1.00 0.00 N ATOM 370 CA THR A 24 82.680 5.213 -0.803 1.00 0.00 C ATOM 371 C THR A 24 81.219 5.487 -0.439 1.00 0.00 C ATOM 372 O THR A 24 80.506 4.608 0.001 1.00 0.00 O ATOM 373 CB THR A 24 83.568 5.498 0.410 1.00 0.00 C ATOM 374 OG1 THR A 24 84.872 4.987 0.170 1.00 0.00 O ATOM 375 CG2 THR A 24 82.973 4.826 1.647 1.00 0.00 C ATOM 0 H THR A 24 83.495 6.986 -1.667 1.00 0.00 H new ATOM 0 HA THR A 24 82.792 4.170 -1.098 1.00 0.00 H new ATOM 0 HB THR A 24 83.625 6.574 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.482 5.306 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.606 5.029 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 24 81.973 5.219 1.829 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.916 3.750 1.484 1.00 0.00 H new ATOM 383 N GLU A 25 80.768 6.697 -0.616 1.00 0.00 N ATOM 384 CA GLU A 25 79.356 7.023 -0.280 1.00 0.00 C ATOM 385 C GLU A 25 78.422 6.274 -1.229 1.00 0.00 C ATOM 386 O GLU A 25 77.541 5.549 -0.810 1.00 0.00 O ATOM 387 CB GLU A 25 79.138 8.527 -0.436 1.00 0.00 C ATOM 388 CG GLU A 25 79.665 9.251 0.802 1.00 0.00 C ATOM 389 CD GLU A 25 78.705 9.026 1.972 1.00 0.00 C ATOM 390 OE1 GLU A 25 77.726 9.748 2.057 1.00 0.00 O ATOM 391 OE2 GLU A 25 78.965 8.135 2.764 1.00 0.00 O ATOM 0 H GLU A 25 81.318 7.475 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 25 79.145 6.725 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.651 8.889 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.077 8.739 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.658 8.882 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 25 79.764 10.317 0.598 1.00 0.00 H new ATOM 398 N VAL A 26 78.610 6.445 -2.506 1.00 0.00 N ATOM 399 CA VAL A 26 77.740 5.750 -3.493 1.00 0.00 C ATOM 400 C VAL A 26 77.737 4.248 -3.207 1.00 0.00 C ATOM 401 O VAL A 26 76.730 3.582 -3.347 1.00 0.00 O ATOM 402 CB VAL A 26 78.272 5.998 -4.906 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.360 5.312 -5.924 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.301 7.504 -5.180 1.00 0.00 C ATOM 0 H VAL A 26 79.333 7.040 -2.911 1.00 0.00 H new ATOM 0 HA VAL A 26 76.724 6.136 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 26 79.280 5.592 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.740 5.489 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.338 4.240 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.352 5.717 -5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.680 7.684 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.293 7.909 -5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.951 7.993 -4.455 1.00 0.00 H new ATOM 414 N GLN A 27 78.854 3.704 -2.806 1.00 0.00 N ATOM 415 CA GLN A 27 78.903 2.246 -2.514 1.00 0.00 C ATOM 416 C GLN A 27 78.034 1.949 -1.298 1.00 0.00 C ATOM 417 O GLN A 27 77.256 1.017 -1.295 1.00 0.00 O ATOM 418 CB GLN A 27 80.346 1.820 -2.239 1.00 0.00 C ATOM 419 CG GLN A 27 81.185 2.007 -3.505 1.00 0.00 C ATOM 420 CD GLN A 27 81.468 0.644 -4.136 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.165 -0.382 -3.559 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.043 0.588 -5.306 1.00 0.00 N ATOM 0 H GLN A 27 79.731 4.206 -2.669 1.00 0.00 H new ATOM 0 HA GLN A 27 78.529 1.689 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.762 2.412 -1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.374 0.777 -1.922 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.656 2.645 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.122 2.509 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 27 82.298 1.449 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 27 82.238 -0.316 -5.736 1.00 0.00 H new ATOM 431 N VAL A 28 78.143 2.736 -0.266 1.00 0.00 N ATOM 432 CA VAL A 28 77.297 2.486 0.927 1.00 0.00 C ATOM 433 C VAL A 28 75.859 2.312 0.447 1.00 0.00 C ATOM 434 O VAL A 28 75.091 1.564 1.011 1.00 0.00 O ATOM 435 CB VAL A 28 77.385 3.680 1.881 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.375 3.508 3.015 1.00 0.00 C ATOM 437 CG2 VAL A 28 78.798 3.760 2.465 1.00 0.00 C ATOM 0 H VAL A 28 78.775 3.533 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 28 77.633 1.594 1.456 1.00 0.00 H new ATOM 0 HB VAL A 28 77.162 4.597 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.440 4.359 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.369 3.450 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.595 2.591 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 28 78.863 4.610 3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.019 2.842 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.519 3.886 1.657 1.00 0.00 H new ATOM 447 N ALA A 29 75.494 2.982 -0.611 1.00 0.00 N ATOM 448 CA ALA A 29 74.116 2.829 -1.137 1.00 0.00 C ATOM 449 C ALA A 29 73.963 1.406 -1.661 1.00 0.00 C ATOM 450 O ALA A 29 72.992 0.732 -1.384 1.00 0.00 O ATOM 451 CB ALA A 29 73.875 3.829 -2.268 1.00 0.00 C ATOM 0 H ALA A 29 76.091 3.626 -1.130 1.00 0.00 H new ATOM 0 HA ALA A 29 73.389 3.020 -0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.861 3.710 -2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.004 4.843 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.588 3.648 -3.072 1.00 0.00 H new ATOM 457 N LEU A 30 74.926 0.935 -2.404 1.00 0.00 N ATOM 458 CA LEU A 30 74.840 -0.448 -2.921 1.00 0.00 C ATOM 459 C LEU A 30 74.894 -1.414 -1.733 1.00 0.00 C ATOM 460 O LEU A 30 74.553 -2.574 -1.844 1.00 0.00 O ATOM 461 CB LEU A 30 76.006 -0.708 -3.890 1.00 0.00 C ATOM 462 CG LEU A 30 77.240 -1.211 -3.130 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.313 -2.736 -3.227 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.500 -0.602 -3.748 1.00 0.00 C ATOM 0 H LEU A 30 75.764 1.451 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 30 73.906 -0.597 -3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.708 -1.444 -4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.251 0.209 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 30 77.167 -0.916 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.190 -3.093 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.415 -3.172 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.386 -3.031 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.378 -0.958 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.572 -0.898 -4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.449 0.485 -3.681 1.00 0.00 H new ATOM 476 N LEU A 31 75.322 -0.933 -0.592 1.00 0.00 N ATOM 477 CA LEU A 31 75.398 -1.810 0.603 1.00 0.00 C ATOM 478 C LEU A 31 73.968 -2.187 1.000 1.00 0.00 C ATOM 479 O LEU A 31 73.707 -3.252 1.524 1.00 0.00 O ATOM 480 CB LEU A 31 76.101 -1.053 1.752 1.00 0.00 C ATOM 481 CG LEU A 31 75.067 -0.382 2.657 1.00 0.00 C ATOM 482 CD1 LEU A 31 74.540 -1.403 3.668 1.00 0.00 C ATOM 483 CD2 LEU A 31 75.707 0.787 3.406 1.00 0.00 C ATOM 0 H LEU A 31 75.621 0.031 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 31 75.971 -2.712 0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 31 76.709 -1.745 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 76.777 -0.303 1.342 1.00 0.00 H new ATOM 0 HG LEU A 31 74.246 -0.009 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 31 73.803 -0.927 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.075 -2.234 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 75.366 -1.776 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 31 74.963 1.259 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 76.532 0.420 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.082 1.517 2.689 1.00 0.00 H new ATOM 495 N THR A 32 73.044 -1.297 0.751 1.00 0.00 N ATOM 496 CA THR A 32 71.623 -1.556 1.101 1.00 0.00 C ATOM 497 C THR A 32 71.037 -2.578 0.125 1.00 0.00 C ATOM 498 O THR A 32 70.312 -3.474 0.505 1.00 0.00 O ATOM 499 CB THR A 32 70.846 -0.227 1.029 1.00 0.00 C ATOM 500 OG1 THR A 32 69.802 -0.239 1.992 1.00 0.00 O ATOM 501 CG2 THR A 32 70.250 -0.021 -0.368 1.00 0.00 C ATOM 0 H THR A 32 73.219 -0.392 0.315 1.00 0.00 H new ATOM 0 HA THR A 32 71.547 -1.960 2.110 1.00 0.00 H new ATOM 0 HB THR A 32 71.535 0.592 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.308 0.606 1.949 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.706 0.923 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.052 0.000 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.568 -0.840 -0.597 1.00 0.00 H new ATOM 509 N LEU A 33 71.344 -2.443 -1.134 1.00 0.00 N ATOM 510 CA LEU A 33 70.804 -3.401 -2.140 1.00 0.00 C ATOM 511 C LEU A 33 71.132 -4.836 -1.715 1.00 0.00 C ATOM 512 O LEU A 33 70.254 -5.657 -1.538 1.00 0.00 O ATOM 513 CB LEU A 33 71.436 -3.117 -3.505 1.00 0.00 C ATOM 514 CG LEU A 33 70.549 -2.143 -4.284 1.00 0.00 C ATOM 515 CD1 LEU A 33 71.281 -1.683 -5.546 1.00 0.00 C ATOM 516 CD2 LEU A 33 69.247 -2.843 -4.678 1.00 0.00 C ATOM 0 H LEU A 33 71.946 -1.711 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 33 69.722 -3.283 -2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.432 -2.695 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.553 -4.045 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 33 70.323 -1.279 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.649 -0.989 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 33 72.209 -1.184 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.507 -2.547 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 33 68.615 -2.150 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 33 69.473 -3.707 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 33 68.724 -3.171 -3.780 1.00 0.00 H new ATOM 528 N ARG A 34 72.391 -5.144 -1.552 1.00 0.00 N ATOM 529 CA ARG A 34 72.776 -6.525 -1.143 1.00 0.00 C ATOM 530 C ARG A 34 72.047 -6.904 0.150 1.00 0.00 C ATOM 531 O ARG A 34 71.886 -8.066 0.464 1.00 0.00 O ATOM 532 CB ARG A 34 74.287 -6.585 -0.913 1.00 0.00 C ATOM 533 CG ARG A 34 74.916 -7.565 -1.906 1.00 0.00 C ATOM 534 CD ARG A 34 75.973 -6.840 -2.740 1.00 0.00 C ATOM 535 NE ARG A 34 75.388 -6.450 -4.054 1.00 0.00 N ATOM 536 CZ ARG A 34 74.722 -7.327 -4.756 1.00 0.00 C ATOM 537 NH1 ARG A 34 75.266 -8.474 -5.053 1.00 0.00 N ATOM 538 NH2 ARG A 34 73.512 -7.053 -5.161 1.00 0.00 N ATOM 0 H ARG A 34 73.169 -4.498 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 34 72.498 -7.225 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.724 -5.594 -1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 34 74.498 -6.901 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.369 -8.400 -1.371 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.148 -7.983 -2.557 1.00 0.00 H new ATOM 0 HD2 ARG A 34 76.326 -5.955 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.838 -7.486 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 34 75.508 -5.500 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.212 -8.687 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.745 -9.159 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 34 73.088 -6.155 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 34 72.991 -7.737 -5.709 1.00 0.00 H new ATOM 552 N ILE A 35 71.603 -5.932 0.899 1.00 0.00 N ATOM 553 CA ILE A 35 70.889 -6.222 2.160 1.00 0.00 C ATOM 554 C ILE A 35 69.483 -6.729 1.823 1.00 0.00 C ATOM 555 O ILE A 35 69.012 -7.709 2.364 1.00 0.00 O ATOM 556 CB ILE A 35 70.827 -4.915 2.969 1.00 0.00 C ATOM 557 CG1 ILE A 35 71.792 -5.004 4.149 1.00 0.00 C ATOM 558 CG2 ILE A 35 69.415 -4.647 3.486 1.00 0.00 C ATOM 559 CD1 ILE A 35 73.052 -4.203 3.824 1.00 0.00 C ATOM 0 H ILE A 35 71.709 -4.941 0.683 1.00 0.00 H new ATOM 0 HA ILE A 35 71.397 -6.988 2.746 1.00 0.00 H new ATOM 0 HB ILE A 35 71.110 -4.093 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 35 71.320 -4.614 5.051 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.048 -6.045 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 35 69.406 -3.716 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 35 68.728 -4.565 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 35 69.102 -5.468 4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 35 73.747 -4.261 4.662 1.00 0.00 H new ATOM 0 HD12 ILE A 35 73.524 -4.614 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 35 72.785 -3.161 3.646 1.00 0.00 H new ATOM 571 N ASN A 36 68.814 -6.047 0.940 1.00 0.00 N ATOM 572 CA ASN A 36 67.435 -6.455 0.555 1.00 0.00 C ATOM 573 C ASN A 36 67.453 -7.863 -0.047 1.00 0.00 C ATOM 574 O ASN A 36 66.578 -8.667 0.211 1.00 0.00 O ATOM 575 CB ASN A 36 66.881 -5.469 -0.475 1.00 0.00 C ATOM 576 CG ASN A 36 66.331 -4.235 0.243 1.00 0.00 C ATOM 577 OD1 ASN A 36 65.602 -4.354 1.206 1.00 0.00 O ATOM 578 ND2 ASN A 36 66.652 -3.047 -0.191 1.00 0.00 N ATOM 0 H ASN A 36 69.166 -5.217 0.463 1.00 0.00 H new ATOM 0 HA ASN A 36 66.802 -6.454 1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.666 -5.177 -1.173 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.093 -5.943 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.290 -2.217 0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.265 -2.948 -1.000 1.00 0.00 H new ATOM 585 N ARG A 37 68.434 -8.173 -0.854 1.00 0.00 N ATOM 586 CA ARG A 37 68.486 -9.530 -1.467 1.00 0.00 C ATOM 587 C ARG A 37 69.128 -10.519 -0.503 1.00 0.00 C ATOM 588 O ARG A 37 69.423 -11.647 -0.846 1.00 0.00 O ATOM 589 CB ARG A 37 69.292 -9.478 -2.762 1.00 0.00 C ATOM 590 CG ARG A 37 68.812 -10.581 -3.708 1.00 0.00 C ATOM 591 CD ARG A 37 68.976 -10.118 -5.157 1.00 0.00 C ATOM 592 NE ARG A 37 68.954 -11.302 -6.061 1.00 0.00 N ATOM 593 CZ ARG A 37 70.058 -11.951 -6.312 1.00 0.00 C ATOM 594 NH1 ARG A 37 70.437 -12.922 -5.526 1.00 0.00 N ATOM 595 NH2 ARG A 37 70.782 -11.631 -7.350 1.00 0.00 N ATOM 0 H ARG A 37 69.197 -7.548 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 37 67.470 -9.858 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.177 -8.503 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.353 -9.605 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 37 69.384 -11.493 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.767 -10.818 -3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 68.174 -9.429 -5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.914 -9.576 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 37 68.077 -11.605 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 37 69.870 -13.173 -4.716 1.00 0.00 H new ATOM 0 HH12 ARG A 37 71.300 -13.429 -5.722 1.00 0.00 H new ATOM 0 HH21 ARG A 37 70.485 -10.874 -7.965 1.00 0.00 H new ATOM 0 HH22 ARG A 37 71.645 -12.138 -7.546 1.00 0.00 H new ATOM 609 N LEU A 38 69.329 -10.099 0.698 1.00 0.00 N ATOM 610 CA LEU A 38 69.936 -10.986 1.720 1.00 0.00 C ATOM 611 C LEU A 38 68.823 -11.724 2.464 1.00 0.00 C ATOM 612 O LEU A 38 69.031 -12.779 3.031 1.00 0.00 O ATOM 613 CB LEU A 38 70.746 -10.147 2.712 1.00 0.00 C ATOM 614 CG LEU A 38 72.077 -10.844 3.002 1.00 0.00 C ATOM 615 CD1 LEU A 38 71.818 -12.305 3.376 1.00 0.00 C ATOM 616 CD2 LEU A 38 72.962 -10.786 1.756 1.00 0.00 C ATOM 0 H LEU A 38 69.096 -9.162 1.028 1.00 0.00 H new ATOM 0 HA LEU A 38 70.596 -11.706 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 38 70.925 -9.153 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 38 70.184 -10.014 3.636 1.00 0.00 H new ATOM 0 HG LEU A 38 72.578 -10.342 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 72.766 -12.801 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 38 71.186 -12.347 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 38 71.317 -12.809 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 38 73.911 -11.282 1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.460 -11.289 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.147 -9.745 1.489 1.00 0.00 H new ATOM 628 N SER A 39 67.642 -11.169 2.470 1.00 0.00 N ATOM 629 CA SER A 39 66.508 -11.823 3.179 1.00 0.00 C ATOM 630 C SER A 39 65.810 -12.805 2.236 1.00 0.00 C ATOM 631 O SER A 39 64.667 -13.166 2.438 1.00 0.00 O ATOM 632 CB SER A 39 65.513 -10.756 3.632 1.00 0.00 C ATOM 633 OG SER A 39 64.555 -11.346 4.502 1.00 0.00 O ATOM 0 H SER A 39 67.414 -10.287 2.012 1.00 0.00 H new ATOM 0 HA SER A 39 66.885 -12.364 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 39 66.036 -9.948 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 39 65.015 -10.317 2.768 1.00 0.00 H new ATOM 0 HG SER A 39 64.214 -12.172 4.101 1.00 0.00 H new ATOM 639 N GLU A 40 66.486 -13.247 1.210 1.00 0.00 N ATOM 640 CA GLU A 40 65.858 -14.206 0.266 1.00 0.00 C ATOM 641 C GLU A 40 66.923 -15.121 -0.321 1.00 0.00 C ATOM 642 O GLU A 40 66.731 -15.760 -1.337 1.00 0.00 O ATOM 643 CB GLU A 40 65.168 -13.441 -0.856 1.00 0.00 C ATOM 644 CG GLU A 40 63.655 -13.457 -0.635 1.00 0.00 C ATOM 645 CD GLU A 40 62.972 -14.143 -1.821 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.615 -14.286 -2.848 1.00 0.00 O ATOM 647 OE2 GLU A 40 61.818 -14.513 -1.680 1.00 0.00 O ATOM 0 H GLU A 40 67.446 -12.983 0.988 1.00 0.00 H new ATOM 0 HA GLU A 40 65.122 -14.807 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.530 -12.413 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.410 -13.892 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.418 -13.984 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.282 -12.439 -0.526 1.00 0.00 H new ATOM 654 N HIS A 41 68.038 -15.185 0.323 1.00 0.00 N ATOM 655 CA HIS A 41 69.141 -16.053 -0.160 1.00 0.00 C ATOM 656 C HIS A 41 69.006 -17.438 0.472 1.00 0.00 C ATOM 657 O HIS A 41 68.474 -18.355 -0.122 1.00 0.00 O ATOM 658 CB HIS A 41 70.487 -15.439 0.233 1.00 0.00 C ATOM 659 CG HIS A 41 71.003 -14.596 -0.902 1.00 0.00 C ATOM 660 ND1 HIS A 41 72.342 -14.264 -1.025 1.00 0.00 N ATOM 661 CD2 HIS A 41 70.371 -14.010 -1.970 1.00 0.00 C ATOM 662 CE1 HIS A 41 72.472 -13.511 -2.134 1.00 0.00 C ATOM 663 NE2 HIS A 41 71.300 -13.326 -2.747 1.00 0.00 N ATOM 0 H HIS A 41 68.242 -14.667 1.178 1.00 0.00 H new ATOM 0 HA HIS A 41 69.089 -16.140 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.373 -14.830 1.130 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.203 -16.226 0.470 1.00 0.00 H new ATOM 0 HD1 HIS A 41 73.092 -14.539 -0.391 1.00 0.00 H new ATOM 0 HD2 HIS A 41 69.313 -14.071 -2.176 1.00 0.00 H new ATOM 0 HE1 HIS A 41 73.410 -13.106 -2.485 1.00 0.00 H new ATOM 671 N LEU A 42 69.483 -17.593 1.675 1.00 0.00 N ATOM 672 CA LEU A 42 69.388 -18.908 2.358 1.00 0.00 C ATOM 673 C LEU A 42 67.931 -19.183 2.742 1.00 0.00 C ATOM 674 O LEU A 42 67.601 -20.240 3.241 1.00 0.00 O ATOM 675 CB LEU A 42 70.243 -18.874 3.621 1.00 0.00 C ATOM 676 CG LEU A 42 71.717 -19.030 3.245 1.00 0.00 C ATOM 677 CD1 LEU A 42 72.424 -17.680 3.381 1.00 0.00 C ATOM 678 CD2 LEU A 42 72.375 -20.045 4.182 1.00 0.00 C ATOM 0 H LEU A 42 69.938 -16.858 2.217 1.00 0.00 H new ATOM 0 HA LEU A 42 69.741 -19.694 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 42 70.090 -17.934 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.943 -19.674 4.298 1.00 0.00 H new ATOM 0 HG LEU A 42 71.795 -19.379 2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 42 73.475 -17.791 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.955 -16.955 2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.347 -17.331 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 42 73.426 -20.158 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.297 -19.694 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.871 -21.007 4.088 1.00 0.00 H new ATOM 690 N LYS A 43 67.055 -18.239 2.511 1.00 0.00 N ATOM 691 CA LYS A 43 65.620 -18.445 2.860 1.00 0.00 C ATOM 692 C LYS A 43 64.911 -19.201 1.738 1.00 0.00 C ATOM 693 O LYS A 43 63.699 -19.232 1.650 1.00 0.00 O ATOM 694 CB LYS A 43 64.946 -17.092 3.065 1.00 0.00 C ATOM 695 CG LYS A 43 64.764 -16.828 4.561 1.00 0.00 C ATOM 696 CD LYS A 43 64.213 -15.415 4.765 1.00 0.00 C ATOM 697 CE LYS A 43 63.378 -15.373 6.046 1.00 0.00 C ATOM 698 NZ LYS A 43 64.205 -15.841 7.195 1.00 0.00 N ATOM 0 H LYS A 43 67.273 -17.334 2.095 1.00 0.00 H new ATOM 0 HA LYS A 43 65.558 -19.029 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.550 -16.303 2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.979 -17.077 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.082 -17.562 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.717 -16.937 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 43 65.033 -14.699 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 43 63.602 -15.125 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.024 -14.358 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.496 -16.004 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 63.775 -15.520 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 64.253 -16.880 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 65.165 -15.450 7.114 1.00 0.00 H new ATOM 712 N VAL A 44 65.673 -19.812 0.897 1.00 0.00 N ATOM 713 CA VAL A 44 65.115 -20.591 -0.233 1.00 0.00 C ATOM 714 C VAL A 44 66.179 -21.594 -0.676 1.00 0.00 C ATOM 715 O VAL A 44 65.897 -22.741 -0.960 1.00 0.00 O ATOM 716 CB VAL A 44 64.781 -19.644 -1.386 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.576 -20.448 -2.672 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.499 -18.875 -1.058 1.00 0.00 C ATOM 0 H VAL A 44 66.692 -19.807 0.943 1.00 0.00 H new ATOM 0 HA VAL A 44 64.205 -21.111 0.067 1.00 0.00 H new ATOM 0 HB VAL A 44 65.604 -18.943 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.338 -19.770 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.488 -20.996 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 63.755 -21.152 -2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.260 -18.199 -1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.679 -19.579 -0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.644 -18.298 -0.144 1.00 0.00 H new ATOM 728 N HIS A 45 67.409 -21.160 -0.715 1.00 0.00 N ATOM 729 CA HIS A 45 68.522 -22.061 -1.114 1.00 0.00 C ATOM 730 C HIS A 45 68.609 -23.230 -0.131 1.00 0.00 C ATOM 731 O HIS A 45 67.894 -23.284 0.849 1.00 0.00 O ATOM 732 CB HIS A 45 69.831 -21.269 -1.082 1.00 0.00 C ATOM 733 CG HIS A 45 70.088 -20.666 -2.436 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.039 -21.197 -3.701 1.00 0.00 N flip ATOM 735 CD2 HIS A 45 70.453 -19.338 -2.597 1.00 0.00 C flip ATOM 736 CE1 HIS A 45 70.368 -20.217 -4.633 1.00 0.00 C flip ATOM 737 NE2 HIS A 45 70.608 -19.117 -3.915 1.00 0.00 N flip ATOM 0 H HIS A 45 67.691 -20.207 -0.484 1.00 0.00 H new ATOM 0 HA HIS A 45 68.346 -22.448 -2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.775 -20.484 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.657 -21.923 -0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 45 70.588 -18.613 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 45 70.418 -20.323 -5.707 1.00 0.00 H new ATOM 0 HE2 HIS A 45 70.876 -18.219 -4.317 1.00 0.00 H new ATOM 745 N LYS A 46 69.484 -24.165 -0.383 1.00 0.00 N ATOM 746 CA LYS A 46 69.618 -25.323 0.538 1.00 0.00 C ATOM 747 C LYS A 46 71.034 -25.903 0.443 1.00 0.00 C ATOM 748 O LYS A 46 71.288 -27.008 0.880 1.00 0.00 O ATOM 749 CB LYS A 46 68.599 -26.399 0.159 1.00 0.00 C ATOM 750 CG LYS A 46 68.473 -26.469 -1.364 1.00 0.00 C ATOM 751 CD LYS A 46 67.298 -27.376 -1.738 1.00 0.00 C ATOM 752 CE LYS A 46 66.844 -27.061 -3.165 1.00 0.00 C ATOM 753 NZ LYS A 46 65.416 -26.632 -3.147 1.00 0.00 N ATOM 0 H LYS A 46 70.111 -24.175 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 46 69.434 -24.991 1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 46 68.912 -27.366 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 46 67.631 -26.171 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 46 68.320 -25.470 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 46 69.396 -26.854 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 67.594 -28.422 -1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 46 66.473 -27.226 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 46 67.466 -26.274 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 46 66.963 -27.940 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 65.106 -26.417 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 64.829 -27.396 -2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.316 -25.782 -2.556 1.00 0.00 H new ATOM 767 N LYS A 47 71.955 -25.166 -0.119 1.00 0.00 N ATOM 768 CA LYS A 47 73.352 -25.670 -0.240 1.00 0.00 C ATOM 769 C LYS A 47 74.096 -24.864 -1.306 1.00 0.00 C ATOM 770 O LYS A 47 75.308 -24.782 -1.306 1.00 0.00 O ATOM 771 CB LYS A 47 73.334 -27.145 -0.645 1.00 0.00 C ATOM 772 CG LYS A 47 72.234 -27.377 -1.682 1.00 0.00 C ATOM 773 CD LYS A 47 72.601 -28.574 -2.559 1.00 0.00 C ATOM 774 CE LYS A 47 73.975 -28.342 -3.194 1.00 0.00 C ATOM 775 NZ LYS A 47 73.941 -28.769 -4.621 1.00 0.00 N ATOM 0 H LYS A 47 71.798 -24.233 -0.501 1.00 0.00 H new ATOM 0 HA LYS A 47 73.857 -25.562 0.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.302 -27.432 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.161 -27.771 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 71.282 -27.557 -1.183 1.00 0.00 H new ATOM 0 HG3 LYS A 47 72.107 -26.487 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 47 72.614 -29.485 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 47 71.849 -28.713 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 47 74.246 -27.289 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 74.737 -28.903 -2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 74.874 -28.612 -5.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 73.700 -29.779 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 73.225 -28.215 -5.132 1.00 0.00 H new ATOM 789 N ASP A 48 73.375 -24.272 -2.216 1.00 0.00 N ATOM 790 CA ASP A 48 74.032 -23.474 -3.287 1.00 0.00 C ATOM 791 C ASP A 48 74.758 -22.277 -2.668 1.00 0.00 C ATOM 792 O ASP A 48 75.902 -22.371 -2.271 1.00 0.00 O ATOM 793 CB ASP A 48 72.972 -22.976 -4.273 1.00 0.00 C ATOM 794 CG ASP A 48 72.843 -23.971 -5.428 1.00 0.00 C ATOM 795 OD1 ASP A 48 73.831 -24.611 -5.746 1.00 0.00 O ATOM 796 OD2 ASP A 48 71.757 -24.075 -5.975 1.00 0.00 O ATOM 0 H ASP A 48 72.357 -24.307 -2.264 1.00 0.00 H new ATOM 0 HA ASP A 48 74.754 -24.099 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 48 72.013 -22.864 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.248 -21.993 -4.655 1.00 0.00 H new ATOM 801 N HIS A 49 74.104 -21.149 -2.586 1.00 0.00 N ATOM 802 CA HIS A 49 74.760 -19.948 -1.996 1.00 0.00 C ATOM 803 C HIS A 49 75.496 -20.342 -0.714 1.00 0.00 C ATOM 804 O HIS A 49 75.191 -21.340 -0.091 1.00 0.00 O ATOM 805 CB HIS A 49 73.698 -18.896 -1.671 1.00 0.00 C ATOM 806 CG HIS A 49 73.551 -17.956 -2.835 1.00 0.00 C ATOM 807 ND1 HIS A 49 72.976 -16.714 -2.946 1.00 0.00 N flip ATOM 808 CD2 HIS A 49 74.036 -18.262 -4.098 1.00 0.00 C flip ATOM 809 CE1 HIS A 49 73.102 -16.254 -4.253 1.00 0.00 C flip ATOM 810 NE2 HIS A 49 73.747 -17.224 -4.904 1.00 0.00 N flip ATOM 0 H HIS A 49 73.144 -21.008 -2.902 1.00 0.00 H new ATOM 0 HA HIS A 49 75.473 -19.538 -2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 49 72.745 -19.380 -1.458 1.00 0.00 H new ATOM 0 HB3 HIS A 49 73.981 -18.342 -0.776 1.00 0.00 H new ATOM 0 HD1 HIS A 49 72.525 -16.206 -2.185 1.00 0.00 H new ATOM 0 HD2 HIS A 49 74.551 -19.168 -4.382 1.00 0.00 H new ATOM 0 HE1 HIS A 49 72.753 -15.314 -4.654 1.00 0.00 H new ATOM 818 N HIS A 50 76.465 -19.563 -0.314 1.00 0.00 N ATOM 819 CA HIS A 50 77.221 -19.891 0.928 1.00 0.00 C ATOM 820 C HIS A 50 77.478 -18.614 1.713 1.00 0.00 C ATOM 821 O HIS A 50 78.384 -18.525 2.519 1.00 0.00 O ATOM 822 CB HIS A 50 78.553 -20.526 0.556 1.00 0.00 C ATOM 823 CG HIS A 50 78.595 -21.945 1.056 1.00 0.00 C ATOM 824 ND1 HIS A 50 79.782 -22.650 1.178 1.00 0.00 N ATOM 825 CD2 HIS A 50 77.605 -22.801 1.469 1.00 0.00 C ATOM 826 CE1 HIS A 50 79.479 -23.874 1.647 1.00 0.00 C ATOM 827 NE2 HIS A 50 78.166 -24.020 1.841 1.00 0.00 N ATOM 0 H HIS A 50 76.765 -18.714 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 50 76.640 -20.586 1.535 1.00 0.00 H new ATOM 0 HB2 HIS A 50 78.686 -20.507 -0.526 1.00 0.00 H new ATOM 0 HB3 HIS A 50 79.373 -19.953 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 50 76.552 -22.565 1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 50 80.209 -24.645 1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 50 77.679 -24.847 2.187 1.00 0.00 H new ATOM 835 N SER A 51 76.680 -17.630 1.473 1.00 0.00 N ATOM 836 CA SER A 51 76.842 -16.331 2.187 1.00 0.00 C ATOM 837 C SER A 51 76.932 -16.584 3.693 1.00 0.00 C ATOM 838 O SER A 51 75.961 -16.940 4.331 1.00 0.00 O ATOM 839 CB SER A 51 75.640 -15.434 1.892 1.00 0.00 C ATOM 840 OG SER A 51 74.485 -16.242 1.707 1.00 0.00 O ATOM 0 H SER A 51 75.909 -17.661 0.806 1.00 0.00 H new ATOM 0 HA SER A 51 77.754 -15.841 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 51 75.482 -14.736 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 51 75.827 -14.837 0.999 1.00 0.00 H new ATOM 0 HG SER A 51 73.712 -15.670 1.519 1.00 0.00 H new ATOM 846 N HIS A 52 78.090 -16.400 4.267 1.00 0.00 N ATOM 847 CA HIS A 52 78.239 -16.629 5.731 1.00 0.00 C ATOM 848 C HIS A 52 79.691 -16.376 6.142 1.00 0.00 C ATOM 849 O HIS A 52 79.967 -15.943 7.244 1.00 0.00 O ATOM 850 CB HIS A 52 77.859 -18.073 6.066 1.00 0.00 C ATOM 851 CG HIS A 52 77.601 -18.193 7.543 1.00 0.00 C ATOM 852 ND1 HIS A 52 76.330 -18.394 8.057 1.00 0.00 N ATOM 853 CD2 HIS A 52 78.442 -18.144 8.628 1.00 0.00 C ATOM 854 CE1 HIS A 52 76.440 -18.456 9.397 1.00 0.00 C ATOM 855 NE2 HIS A 52 77.706 -18.311 9.797 1.00 0.00 N ATOM 0 H HIS A 52 78.938 -16.101 3.785 1.00 0.00 H new ATOM 0 HA HIS A 52 77.583 -15.947 6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.971 -18.366 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 52 78.661 -18.750 5.770 1.00 0.00 H new ATOM 0 HD2 HIS A 52 79.511 -17.998 8.581 1.00 0.00 H new ATOM 0 HE1 HIS A 52 75.606 -18.605 10.067 1.00 0.00 H new ATOM 0 HE2 HIS A 52 78.058 -18.321 10.754 1.00 0.00 H new ATOM 863 N ARG A 53 80.620 -16.644 5.269 1.00 0.00 N ATOM 864 CA ARG A 53 82.053 -16.420 5.611 1.00 0.00 C ATOM 865 C ARG A 53 82.216 -15.041 6.252 1.00 0.00 C ATOM 866 O ARG A 53 83.108 -14.817 7.046 1.00 0.00 O ATOM 867 CB ARG A 53 82.900 -16.496 4.339 1.00 0.00 C ATOM 868 CG ARG A 53 83.895 -17.652 4.455 1.00 0.00 C ATOM 869 CD ARG A 53 84.843 -17.633 3.255 1.00 0.00 C ATOM 870 NE ARG A 53 85.333 -19.015 2.989 1.00 0.00 N ATOM 871 CZ ARG A 53 84.527 -19.908 2.484 1.00 0.00 C ATOM 872 NH1 ARG A 53 83.865 -19.645 1.391 1.00 0.00 N ATOM 873 NH2 ARG A 53 84.383 -21.064 3.072 1.00 0.00 N ATOM 0 H ARG A 53 80.450 -17.009 4.332 1.00 0.00 H new ATOM 0 HA ARG A 53 82.382 -17.187 6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 53 82.258 -16.641 3.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 83.433 -15.557 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 84.463 -17.565 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 53 83.362 -18.602 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 53 84.328 -17.243 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 53 85.684 -16.969 3.453 1.00 0.00 H new ATOM 0 HE ARG A 53 86.299 -19.263 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 53 83.978 -18.741 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 53 83.235 -20.343 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 53 84.901 -21.270 3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 53 83.753 -21.762 2.677 1.00 0.00 H new ATOM 887 N GLY A 54 81.363 -14.113 5.913 1.00 0.00 N ATOM 888 CA GLY A 54 81.473 -12.749 6.504 1.00 0.00 C ATOM 889 C GLY A 54 80.485 -11.808 5.815 1.00 0.00 C ATOM 890 O GLY A 54 80.858 -10.769 5.308 1.00 0.00 O ATOM 0 H GLY A 54 80.596 -14.240 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 54 81.267 -12.788 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.489 -12.373 6.388 1.00 0.00 H new ATOM 894 N LEU A 55 79.227 -12.159 5.791 1.00 0.00 N ATOM 895 CA LEU A 55 78.227 -11.279 5.136 1.00 0.00 C ATOM 896 C LEU A 55 77.667 -10.292 6.158 1.00 0.00 C ATOM 897 O LEU A 55 76.534 -9.862 6.072 1.00 0.00 O ATOM 898 CB LEU A 55 77.092 -12.128 4.556 1.00 0.00 C ATOM 899 CG LEU A 55 76.198 -12.633 5.689 1.00 0.00 C ATOM 900 CD1 LEU A 55 74.891 -11.838 5.703 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.888 -14.116 5.470 1.00 0.00 C ATOM 0 H LEU A 55 78.853 -13.017 6.197 1.00 0.00 H new ATOM 0 HA LEU A 55 78.706 -10.726 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.506 -11.537 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 55 77.502 -12.971 4.000 1.00 0.00 H new ATOM 0 HG LEU A 55 76.712 -12.504 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 55 74.254 -12.199 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.110 -10.781 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 55 74.377 -11.967 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 55 75.251 -14.478 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.374 -14.243 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 55 76.818 -14.684 5.460 1.00 0.00 H new ATOM 913 N LEU A 56 78.460 -9.934 7.122 1.00 0.00 N ATOM 914 CA LEU A 56 78.008 -8.981 8.158 1.00 0.00 C ATOM 915 C LEU A 56 78.640 -7.618 7.896 1.00 0.00 C ATOM 916 O LEU A 56 78.021 -6.585 8.056 1.00 0.00 O ATOM 917 CB LEU A 56 78.449 -9.496 9.524 1.00 0.00 C ATOM 918 CG LEU A 56 77.607 -10.712 9.906 1.00 0.00 C ATOM 919 CD1 LEU A 56 78.224 -11.398 11.126 1.00 0.00 C ATOM 920 CD2 LEU A 56 76.183 -10.263 10.239 1.00 0.00 C ATOM 0 H LEU A 56 79.417 -10.268 7.235 1.00 0.00 H new ATOM 0 HA LEU A 56 76.922 -8.886 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 56 79.505 -9.765 9.500 1.00 0.00 H new ATOM 0 HB3 LEU A 56 78.337 -8.713 10.273 1.00 0.00 H new ATOM 0 HG LEU A 56 77.581 -11.412 9.071 1.00 0.00 H new ATOM 0 HD11 LEU A 56 77.623 -12.266 11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 56 79.238 -11.719 10.889 1.00 0.00 H new ATOM 0 HD13 LEU A 56 78.251 -10.699 11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 56 75.582 -11.131 10.512 1.00 0.00 H new ATOM 0 HD22 LEU A 56 76.208 -9.562 11.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 75.742 -9.775 9.369 1.00 0.00 H new ATOM 932 N MET A 57 79.874 -7.620 7.494 1.00 0.00 N ATOM 933 CA MET A 57 80.579 -6.339 7.213 1.00 0.00 C ATOM 934 C MET A 57 79.679 -5.432 6.369 1.00 0.00 C ATOM 935 O MET A 57 79.573 -4.247 6.614 1.00 0.00 O ATOM 936 CB MET A 57 81.871 -6.633 6.447 1.00 0.00 C ATOM 937 CG MET A 57 82.473 -5.322 5.938 1.00 0.00 C ATOM 938 SD MET A 57 84.260 -5.327 6.228 1.00 0.00 S ATOM 939 CE MET A 57 84.244 -4.354 7.754 1.00 0.00 C ATOM 0 H MET A 57 80.433 -8.460 7.346 1.00 0.00 H new ATOM 0 HA MET A 57 80.815 -5.838 8.152 1.00 0.00 H new ATOM 0 HB2 MET A 57 82.582 -7.144 7.096 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.666 -7.300 5.610 1.00 0.00 H new ATOM 0 HG2 MET A 57 82.267 -5.203 4.874 1.00 0.00 H new ATOM 0 HG3 MET A 57 82.013 -4.476 6.448 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.264 -4.231 8.118 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.808 -3.375 7.556 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.650 -4.870 8.508 1.00 0.00 H new ATOM 949 N MET A 58 79.032 -5.978 5.376 1.00 0.00 N ATOM 950 CA MET A 58 78.142 -5.146 4.519 1.00 0.00 C ATOM 951 C MET A 58 77.104 -4.442 5.395 1.00 0.00 C ATOM 952 O MET A 58 76.836 -3.268 5.234 1.00 0.00 O ATOM 953 CB MET A 58 77.429 -6.041 3.503 1.00 0.00 C ATOM 954 CG MET A 58 76.472 -6.984 4.234 1.00 0.00 C ATOM 955 SD MET A 58 75.984 -8.327 3.124 1.00 0.00 S ATOM 956 CE MET A 58 74.207 -7.988 3.125 1.00 0.00 C ATOM 0 H MET A 58 79.081 -6.964 5.121 1.00 0.00 H new ATOM 0 HA MET A 58 78.738 -4.401 3.992 1.00 0.00 H new ATOM 0 HB2 MET A 58 76.878 -5.430 2.788 1.00 0.00 H new ATOM 0 HB3 MET A 58 78.159 -6.617 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.953 -7.390 5.124 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.591 -6.437 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 58 73.694 -8.738 3.726 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.025 -6.999 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 58 73.830 -8.022 2.103 1.00 0.00 H new ATOM 966 N VAL A 59 76.518 -5.150 6.321 1.00 0.00 N ATOM 967 CA VAL A 59 75.499 -4.522 7.205 1.00 0.00 C ATOM 968 C VAL A 59 76.173 -3.479 8.099 1.00 0.00 C ATOM 969 O VAL A 59 75.567 -2.504 8.498 1.00 0.00 O ATOM 970 CB VAL A 59 74.852 -5.597 8.081 1.00 0.00 C ATOM 971 CG1 VAL A 59 73.878 -4.940 9.060 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.092 -6.587 7.194 1.00 0.00 C ATOM 0 H VAL A 59 76.702 -6.137 6.503 1.00 0.00 H new ATOM 0 HA VAL A 59 74.736 -4.041 6.594 1.00 0.00 H new ATOM 0 HB VAL A 59 75.626 -6.126 8.638 1.00 0.00 H new ATOM 0 HG11 VAL A 59 73.417 -5.706 9.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 74.417 -4.234 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.104 -4.411 8.504 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.631 -7.353 7.817 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.319 -6.057 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.785 -7.056 6.495 1.00 0.00 H new ATOM 982 N GLY A 60 77.424 -3.676 8.415 1.00 0.00 N ATOM 983 CA GLY A 60 78.137 -2.696 9.283 1.00 0.00 C ATOM 984 C GLY A 60 78.595 -1.501 8.444 1.00 0.00 C ATOM 985 O GLY A 60 79.254 -0.605 8.931 1.00 0.00 O ATOM 0 H GLY A 60 77.983 -4.473 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 60 77.479 -2.359 10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.997 -3.172 9.755 1.00 0.00 H new ATOM 989 N GLN A 61 78.251 -1.480 7.183 1.00 0.00 N ATOM 990 CA GLN A 61 78.666 -0.346 6.317 1.00 0.00 C ATOM 991 C GLN A 61 77.590 0.730 6.331 1.00 0.00 C ATOM 992 O GLN A 61 77.497 1.557 5.446 1.00 0.00 O ATOM 993 CB GLN A 61 78.862 -0.843 4.891 1.00 0.00 C ATOM 994 CG GLN A 61 80.351 -0.845 4.543 1.00 0.00 C ATOM 995 CD GLN A 61 80.528 -1.122 3.049 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.392 -0.553 2.412 1.00 0.00 O ATOM 997 NE2 GLN A 61 79.740 -1.977 2.459 1.00 0.00 N ATOM 0 H GLN A 61 77.700 -2.202 6.718 1.00 0.00 H new ATOM 0 HA GLN A 61 79.601 0.071 6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.454 -1.848 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.317 -0.204 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.796 0.116 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.871 -1.604 5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 61 79.015 -2.455 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 61 79.849 -2.168 1.463 1.00 0.00 H new ATOM 1006 N ARG A 62 76.784 0.715 7.337 1.00 0.00 N ATOM 1007 CA ARG A 62 75.694 1.727 7.450 1.00 0.00 C ATOM 1008 C ARG A 62 75.244 1.831 8.905 1.00 0.00 C ATOM 1009 O ARG A 62 74.948 2.899 9.403 1.00 0.00 O ATOM 1010 CB ARG A 62 74.512 1.304 6.576 1.00 0.00 C ATOM 1011 CG ARG A 62 73.418 2.370 6.648 1.00 0.00 C ATOM 1012 CD ARG A 62 72.301 2.022 5.663 1.00 0.00 C ATOM 1013 NE ARG A 62 71.584 0.804 6.138 1.00 0.00 N ATOM 1014 CZ ARG A 62 70.667 0.906 7.061 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.013 0.982 8.317 1.00 0.00 N ATOM 1016 NH2 ARG A 62 69.406 0.932 6.728 1.00 0.00 N ATOM 0 H ARG A 62 76.826 0.041 8.101 1.00 0.00 H new ATOM 0 HA ARG A 62 76.062 2.697 7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.838 1.171 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.122 0.344 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.019 2.429 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 62 73.834 3.349 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 62 71.605 2.856 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 62 72.717 1.849 4.671 1.00 0.00 H new ATOM 0 HE ARG A 62 71.810 -0.108 5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.999 0.962 8.576 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.297 1.062 9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 62 69.137 0.873 5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 62 68.690 1.012 7.450 1.00 0.00 H new ATOM 1030 N ARG A 63 75.195 0.726 9.590 1.00 0.00 N ATOM 1031 CA ARG A 63 74.769 0.746 11.016 1.00 0.00 C ATOM 1032 C ARG A 63 75.733 1.620 11.822 1.00 0.00 C ATOM 1033 O ARG A 63 75.455 1.997 12.943 1.00 0.00 O ATOM 1034 CB ARG A 63 74.782 -0.679 11.574 1.00 0.00 C ATOM 1035 CG ARG A 63 73.448 -0.967 12.266 1.00 0.00 C ATOM 1036 CD ARG A 63 72.850 -2.258 11.704 1.00 0.00 C ATOM 1037 NE ARG A 63 71.363 -2.165 11.725 1.00 0.00 N ATOM 1038 CZ ARG A 63 70.643 -3.252 11.797 1.00 0.00 C ATOM 1039 NH1 ARG A 63 70.371 -3.926 10.714 1.00 0.00 N ATOM 1040 NH2 ARG A 63 70.195 -3.663 12.952 1.00 0.00 N ATOM 0 H ARG A 63 75.433 -0.195 9.223 1.00 0.00 H new ATOM 0 HA ARG A 63 73.761 1.153 11.089 1.00 0.00 H new ATOM 0 HB2 ARG A 63 74.949 -1.395 10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.604 -0.797 12.281 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.597 -1.061 13.342 1.00 0.00 H new ATOM 0 HG3 ARG A 63 72.759 -0.137 12.111 1.00 0.00 H new ATOM 0 HD2 ARG A 63 73.201 -2.421 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.180 -3.112 12.295 1.00 0.00 H new ATOM 0 HE ARG A 63 70.908 -1.253 11.683 1.00 0.00 H new ATOM 0 HH11 ARG A 63 70.721 -3.604 9.812 1.00 0.00 H new ATOM 0 HH12 ARG A 63 69.809 -4.775 10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 63 70.407 -3.135 13.799 1.00 0.00 H new ATOM 0 HH22 ARG A 63 69.633 -4.512 13.008 1.00 0.00 H new ATOM 1054 N ARG A 64 76.864 1.944 11.259 1.00 0.00 N ATOM 1055 CA ARG A 64 77.845 2.793 11.986 1.00 0.00 C ATOM 1056 C ARG A 64 78.961 3.213 11.028 1.00 0.00 C ATOM 1057 O ARG A 64 80.087 3.431 11.428 1.00 0.00 O ATOM 1058 CB ARG A 64 78.440 2.002 13.153 1.00 0.00 C ATOM 1059 CG ARG A 64 78.003 2.635 14.476 1.00 0.00 C ATOM 1060 CD ARG A 64 78.847 2.067 15.618 1.00 0.00 C ATOM 1061 NE ARG A 64 78.172 0.865 16.183 1.00 0.00 N ATOM 1062 CZ ARG A 64 78.170 -0.257 15.517 1.00 0.00 C ATOM 1063 NH1 ARG A 64 79.282 -0.918 15.349 1.00 0.00 N ATOM 1064 NH2 ARG A 64 77.055 -0.717 15.018 1.00 0.00 N ATOM 0 H ARG A 64 77.151 1.656 10.324 1.00 0.00 H new ATOM 0 HA ARG A 64 77.344 3.681 12.371 1.00 0.00 H new ATOM 0 HB2 ARG A 64 78.110 0.964 13.108 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.528 1.994 13.083 1.00 0.00 H new ATOM 0 HG2 ARG A 64 78.118 3.718 14.429 1.00 0.00 H new ATOM 0 HG3 ARG A 64 76.947 2.434 14.656 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.840 1.803 15.254 1.00 0.00 H new ATOM 0 HD3 ARG A 64 78.982 2.820 16.394 1.00 0.00 H new ATOM 0 HE ARG A 64 77.711 0.919 17.091 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.153 -0.558 15.738 1.00 0.00 H new ATOM 0 HH12 ARG A 64 79.280 -1.795 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 64 76.186 -0.199 15.149 1.00 0.00 H new ATOM 0 HH22 ARG A 64 77.053 -1.594 14.497 1.00 0.00 H new ATOM 1078 N LEU A 65 78.656 3.327 9.763 1.00 0.00 N ATOM 1079 CA LEU A 65 79.693 3.729 8.779 1.00 0.00 C ATOM 1080 C LEU A 65 79.861 5.250 8.798 1.00 0.00 C ATOM 1081 O LEU A 65 80.549 5.818 7.973 1.00 0.00 O ATOM 1082 CB LEU A 65 79.268 3.282 7.378 1.00 0.00 C ATOM 1083 CG LEU A 65 80.243 3.847 6.344 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.526 2.788 5.276 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.627 5.082 5.684 1.00 0.00 C ATOM 0 H LEU A 65 77.730 3.158 9.371 1.00 0.00 H new ATOM 0 HA LEU A 65 80.640 3.258 9.042 1.00 0.00 H new ATOM 0 HB2 LEU A 65 79.252 2.194 7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.256 3.627 7.166 1.00 0.00 H new ATOM 0 HG LEU A 65 81.175 4.124 6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 65 81.221 3.191 4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 65 80.964 1.907 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 65 79.594 2.511 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 65 80.321 5.485 4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.695 4.805 5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 65 79.425 5.838 6.443 1.00 0.00 H new ATOM 1097 N LEU A 66 79.235 5.916 9.731 1.00 0.00 N ATOM 1098 CA LEU A 66 79.358 7.397 9.796 1.00 0.00 C ATOM 1099 C LEU A 66 80.815 7.785 10.060 1.00 0.00 C ATOM 1100 O LEU A 66 81.329 8.723 9.485 1.00 0.00 O ATOM 1101 CB LEU A 66 78.475 7.939 10.924 1.00 0.00 C ATOM 1102 CG LEU A 66 78.522 6.989 12.122 1.00 0.00 C ATOM 1103 CD1 LEU A 66 78.859 7.782 13.387 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.157 6.318 12.292 1.00 0.00 C ATOM 0 H LEU A 66 78.645 5.497 10.450 1.00 0.00 H new ATOM 0 HA LEU A 66 79.037 7.823 8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 66 78.817 8.930 11.221 1.00 0.00 H new ATOM 0 HB3 LEU A 66 77.448 8.047 10.574 1.00 0.00 H new ATOM 0 HG LEU A 66 79.284 6.228 11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 66 78.893 7.106 14.242 1.00 0.00 H new ATOM 0 HD12 LEU A 66 79.829 8.264 13.267 1.00 0.00 H new ATOM 0 HD13 LEU A 66 78.095 8.541 13.555 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.188 5.640 13.145 1.00 0.00 H new ATOM 0 HD22 LEU A 66 76.396 7.080 12.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 76.913 5.755 11.391 1.00 0.00 H new ATOM 1116 N ARG A 67 81.481 7.077 10.932 1.00 0.00 N ATOM 1117 CA ARG A 67 82.900 7.409 11.241 1.00 0.00 C ATOM 1118 C ARG A 67 83.772 7.183 10.003 1.00 0.00 C ATOM 1119 O ARG A 67 84.937 7.531 9.983 1.00 0.00 O ATOM 1120 CB ARG A 67 83.395 6.512 12.379 1.00 0.00 C ATOM 1121 CG ARG A 67 82.369 6.508 13.513 1.00 0.00 C ATOM 1122 CD ARG A 67 83.045 6.063 14.811 1.00 0.00 C ATOM 1123 NE ARG A 67 82.233 6.513 15.976 1.00 0.00 N ATOM 1124 CZ ARG A 67 82.824 6.893 17.075 1.00 0.00 C ATOM 1125 NH1 ARG A 67 83.567 6.054 17.740 1.00 0.00 N ATOM 1126 NH2 ARG A 67 82.672 8.115 17.509 1.00 0.00 N ATOM 0 H ARG A 67 81.102 6.281 11.445 1.00 0.00 H new ATOM 0 HA ARG A 67 82.965 8.455 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.552 5.497 12.014 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.356 6.871 12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 67 81.943 7.504 13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 67 81.546 5.836 13.270 1.00 0.00 H new ATOM 0 HD2 ARG A 67 83.150 4.978 14.825 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.050 6.481 14.872 1.00 0.00 H new ATOM 0 HE ARG A 67 81.215 6.524 15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 67 83.687 5.099 17.401 1.00 0.00 H new ATOM 0 HH12 ARG A 67 84.029 6.352 18.599 1.00 0.00 H new ATOM 0 HH21 ARG A 67 82.091 8.772 16.989 1.00 0.00 H new ATOM 0 HH22 ARG A 67 83.134 8.412 18.368 1.00 0.00 H new ATOM 1140 N TYR A 68 83.226 6.597 8.974 1.00 0.00 N ATOM 1141 CA TYR A 68 84.026 6.341 7.749 1.00 0.00 C ATOM 1142 C TYR A 68 84.188 7.637 6.949 1.00 0.00 C ATOM 1143 O TYR A 68 85.281 8.139 6.776 1.00 0.00 O ATOM 1144 CB TYR A 68 83.317 5.295 6.889 1.00 0.00 C ATOM 1145 CG TYR A 68 84.324 4.604 6.002 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.117 3.571 6.517 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.465 4.995 4.666 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.051 2.930 5.694 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.398 4.354 3.844 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.191 3.321 4.358 1.00 0.00 C ATOM 1151 OH TYR A 68 87.112 2.689 3.548 1.00 0.00 O ATOM 0 H TYR A 68 82.256 6.284 8.931 1.00 0.00 H new ATOM 0 HA TYR A 68 85.012 5.974 8.035 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.816 4.565 7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 68 82.547 5.770 6.281 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.008 3.269 7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 68 83.853 5.792 4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.663 2.134 6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 68 85.507 4.656 2.813 1.00 0.00 H new ATOM 0 HH TYR A 68 87.081 3.080 2.650 1.00 0.00 H new ATOM 1161 N LEU A 69 83.111 8.176 6.447 1.00 0.00 N ATOM 1162 CA LEU A 69 83.206 9.427 5.648 1.00 0.00 C ATOM 1163 C LEU A 69 83.220 10.643 6.575 1.00 0.00 C ATOM 1164 O LEU A 69 83.935 11.598 6.347 1.00 0.00 O ATOM 1165 CB LEU A 69 82.007 9.522 4.702 1.00 0.00 C ATOM 1166 CG LEU A 69 82.163 10.748 3.801 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.437 10.298 2.365 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.874 11.572 3.837 1.00 0.00 C ATOM 0 H LEU A 69 82.168 7.802 6.557 1.00 0.00 H new ATOM 0 HA LEU A 69 84.130 9.409 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.936 8.619 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.083 9.594 5.275 1.00 0.00 H new ATOM 0 HG LEU A 69 82.996 11.355 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.548 11.173 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.354 9.709 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 69 81.605 9.691 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.983 12.446 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.043 10.963 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 69 80.677 11.894 4.859 1.00 0.00 H new ATOM 1180 N GLN A 70 82.433 10.627 7.615 1.00 0.00 N ATOM 1181 CA GLN A 70 82.411 11.794 8.537 1.00 0.00 C ATOM 1182 C GLN A 70 83.837 12.090 9.012 1.00 0.00 C ATOM 1183 O GLN A 70 84.208 13.223 9.244 1.00 0.00 O ATOM 1184 CB GLN A 70 81.503 11.487 9.740 1.00 0.00 C ATOM 1185 CG GLN A 70 82.289 10.746 10.829 1.00 0.00 C ATOM 1186 CD GLN A 70 81.327 10.269 11.919 1.00 0.00 C ATOM 1187 OE1 GLN A 70 80.131 10.453 11.811 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.803 9.662 12.971 1.00 0.00 N ATOM 0 H GLN A 70 81.808 9.860 7.864 1.00 0.00 H new ATOM 0 HA GLN A 70 82.019 12.667 8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 70 81.097 12.415 10.143 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.656 10.881 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 70 82.816 9.895 10.397 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.044 11.404 11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.807 9.508 13.060 1.00 0.00 H new ATOM 0 HE22 GLN A 70 81.171 9.341 13.704 1.00 0.00 H new ATOM 1197 N ARG A 71 84.633 11.068 9.164 1.00 0.00 N ATOM 1198 CA ARG A 71 86.033 11.265 9.630 1.00 0.00 C ATOM 1199 C ARG A 71 86.861 11.915 8.518 1.00 0.00 C ATOM 1200 O ARG A 71 87.769 12.678 8.775 1.00 0.00 O ATOM 1201 CB ARG A 71 86.643 9.911 10.014 1.00 0.00 C ATOM 1202 CG ARG A 71 87.032 9.138 8.752 1.00 0.00 C ATOM 1203 CD ARG A 71 88.506 9.396 8.434 1.00 0.00 C ATOM 1204 NE ARG A 71 89.178 8.105 8.109 1.00 0.00 N ATOM 1205 CZ ARG A 71 90.341 7.825 8.631 1.00 0.00 C ATOM 1206 NH1 ARG A 71 90.458 7.680 9.923 1.00 0.00 N ATOM 1207 NH2 ARG A 71 91.386 7.691 7.863 1.00 0.00 N ATOM 0 H ARG A 71 84.371 10.099 8.984 1.00 0.00 H new ATOM 0 HA ARG A 71 86.035 11.918 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 71 87.520 10.063 10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 71 85.928 9.333 10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 71 86.861 8.071 8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.408 9.449 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 71 88.593 10.085 7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 71 88.995 9.869 9.286 1.00 0.00 H new ATOM 0 HE ARG A 71 88.729 7.441 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.641 7.786 10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 71 91.367 7.461 10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 71 91.295 7.805 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 71 92.295 7.472 8.272 1.00 0.00 H new ATOM 1221 N GLU A 72 86.548 11.625 7.283 1.00 0.00 N ATOM 1222 CA GLU A 72 87.309 12.234 6.161 1.00 0.00 C ATOM 1223 C GLU A 72 86.641 13.537 5.746 1.00 0.00 C ATOM 1224 O GLU A 72 86.860 14.062 4.673 1.00 0.00 O ATOM 1225 CB GLU A 72 87.323 11.275 4.979 1.00 0.00 C ATOM 1226 CG GLU A 72 88.303 10.140 5.261 1.00 0.00 C ATOM 1227 CD GLU A 72 88.667 9.440 3.950 1.00 0.00 C ATOM 1228 OE1 GLU A 72 87.771 8.903 3.320 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.836 9.453 3.599 1.00 0.00 O ATOM 0 H GLU A 72 85.798 10.992 7.006 1.00 0.00 H new ATOM 0 HA GLU A 72 88.332 12.433 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.324 10.874 4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.613 11.804 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.202 10.532 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.859 9.426 5.955 1.00 0.00 H new ATOM 1236 N ASP A 73 85.827 14.046 6.604 1.00 0.00 N ATOM 1237 CA ASP A 73 85.106 15.315 6.323 1.00 0.00 C ATOM 1238 C ASP A 73 83.915 15.421 7.281 1.00 0.00 C ATOM 1239 O ASP A 73 82.972 14.663 7.171 1.00 0.00 O ATOM 1240 CB ASP A 73 84.599 15.305 4.880 1.00 0.00 C ATOM 1241 CG ASP A 73 85.522 16.158 4.008 1.00 0.00 C ATOM 1242 OD1 ASP A 73 85.620 17.346 4.269 1.00 0.00 O ATOM 1243 OD2 ASP A 73 86.115 15.610 3.093 1.00 0.00 O ATOM 0 H ASP A 73 85.620 13.632 7.513 1.00 0.00 H new ATOM 0 HA ASP A 73 85.775 16.164 6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.566 14.283 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.581 15.693 4.838 1.00 0.00 H new ATOM 1248 N PRO A 74 83.989 16.354 8.198 1.00 0.00 N ATOM 1249 CA PRO A 74 82.919 16.564 9.186 1.00 0.00 C ATOM 1250 C PRO A 74 81.726 17.236 8.518 1.00 0.00 C ATOM 1251 O PRO A 74 80.592 17.070 8.924 1.00 0.00 O ATOM 1252 CB PRO A 74 83.565 17.470 10.238 1.00 0.00 C ATOM 1253 CG PRO A 74 84.751 18.171 9.534 1.00 0.00 C ATOM 1254 CD PRO A 74 85.127 17.287 8.329 1.00 0.00 C ATOM 0 HA PRO A 74 82.540 15.641 9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.849 18.200 10.615 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.909 16.889 11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 74 84.472 19.173 9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 74 85.596 18.281 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 74 85.261 17.881 7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 74 86.062 16.754 8.502 1.00 0.00 H new ATOM 1262 N GLU A 75 81.973 17.975 7.478 1.00 0.00 N ATOM 1263 CA GLU A 75 80.860 18.638 6.757 1.00 0.00 C ATOM 1264 C GLU A 75 80.196 17.599 5.858 1.00 0.00 C ATOM 1265 O GLU A 75 79.002 17.618 5.637 1.00 0.00 O ATOM 1266 CB GLU A 75 81.399 19.794 5.911 1.00 0.00 C ATOM 1267 CG GLU A 75 82.693 19.364 5.217 1.00 0.00 C ATOM 1268 CD GLU A 75 83.883 20.068 5.873 1.00 0.00 C ATOM 1269 OE1 GLU A 75 83.898 20.156 7.089 1.00 0.00 O ATOM 1270 OE2 GLU A 75 84.759 20.509 5.147 1.00 0.00 O ATOM 0 H GLU A 75 82.902 18.149 7.095 1.00 0.00 H new ATOM 0 HA GLU A 75 80.137 19.041 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.658 20.091 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.585 20.663 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 75 82.813 18.283 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.649 19.613 4.157 1.00 0.00 H new ATOM 1277 N ARG A 76 80.967 16.675 5.350 1.00 0.00 N ATOM 1278 CA ARG A 76 80.388 15.620 4.486 1.00 0.00 C ATOM 1279 C ARG A 76 79.494 14.730 5.346 1.00 0.00 C ATOM 1280 O ARG A 76 78.670 13.989 4.848 1.00 0.00 O ATOM 1281 CB ARG A 76 81.510 14.781 3.870 1.00 0.00 C ATOM 1282 CG ARG A 76 82.242 15.604 2.807 1.00 0.00 C ATOM 1283 CD ARG A 76 83.187 14.697 2.018 1.00 0.00 C ATOM 1284 NE ARG A 76 83.064 14.996 0.563 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.760 15.965 0.035 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.304 16.872 0.800 1.00 0.00 N ATOM 1287 NH2 ARG A 76 83.911 16.029 -1.260 1.00 0.00 N ATOM 0 H ARG A 76 81.974 16.610 5.500 1.00 0.00 H new ATOM 0 HA ARG A 76 79.807 16.072 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.209 14.465 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.098 13.876 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.522 16.070 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.804 16.409 3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.215 14.852 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.946 13.651 2.207 1.00 0.00 H new ATOM 0 HE ARG A 76 82.436 14.443 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.185 16.824 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.848 17.629 0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 76 83.485 15.322 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 76 84.455 16.786 -1.673 1.00 0.00 H new ATOM 1301 N TYR A 77 79.648 14.804 6.644 1.00 0.00 N ATOM 1302 CA TYR A 77 78.806 13.973 7.541 1.00 0.00 C ATOM 1303 C TYR A 77 77.506 14.711 7.848 1.00 0.00 C ATOM 1304 O TYR A 77 76.996 14.658 8.950 1.00 0.00 O ATOM 1305 CB TYR A 77 79.533 13.707 8.855 1.00 0.00 C ATOM 1306 CG TYR A 77 78.774 12.655 9.627 1.00 0.00 C ATOM 1307 CD1 TYR A 77 78.321 11.501 8.976 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.523 12.833 10.992 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.617 10.525 9.691 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.817 11.857 11.707 1.00 0.00 C ATOM 1311 CZ TYR A 77 77.365 10.703 11.057 1.00 0.00 C ATOM 1312 OH TYR A 77 76.671 9.741 11.761 1.00 0.00 O ATOM 0 H TYR A 77 80.322 15.406 7.117 1.00 0.00 H new ATOM 0 HA TYR A 77 78.597 13.027 7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.552 13.371 8.661 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.605 14.625 9.439 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.515 11.364 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.873 13.723 11.494 1.00 0.00 H new ATOM 0 HE1 TYR A 77 77.268 9.635 9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.621 11.995 12.760 1.00 0.00 H new ATOM 0 HH TYR A 77 76.584 10.020 12.696 1.00 0.00 H new ATOM 1322 N ARG A 78 76.972 15.411 6.892 1.00 0.00 N ATOM 1323 CA ARG A 78 75.716 16.162 7.140 1.00 0.00 C ATOM 1324 C ARG A 78 75.001 16.437 5.813 1.00 0.00 C ATOM 1325 O ARG A 78 74.277 17.404 5.680 1.00 0.00 O ATOM 1326 CB ARG A 78 76.053 17.486 7.841 1.00 0.00 C ATOM 1327 CG ARG A 78 76.529 18.520 6.816 1.00 0.00 C ATOM 1328 CD ARG A 78 77.823 19.166 7.311 1.00 0.00 C ATOM 1329 NE ARG A 78 77.498 20.363 8.137 1.00 0.00 N ATOM 1330 CZ ARG A 78 78.045 20.512 9.313 1.00 0.00 C ATOM 1331 NH1 ARG A 78 77.616 19.809 10.325 1.00 0.00 N ATOM 1332 NH2 ARG A 78 79.021 21.363 9.476 1.00 0.00 N ATOM 0 H ARG A 78 77.351 15.496 5.949 1.00 0.00 H new ATOM 0 HA ARG A 78 75.056 15.572 7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.175 17.862 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.828 17.323 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.694 18.042 5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.763 19.281 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 78 78.397 18.450 7.899 1.00 0.00 H new ATOM 0 HD3 ARG A 78 78.445 19.454 6.464 1.00 0.00 H new ATOM 0 HE ARG A 78 76.848 21.066 7.784 1.00 0.00 H new ATOM 0 HH11 ARG A 78 76.854 19.143 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 78 78.043 19.925 11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 78 79.357 21.912 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 78 79.448 21.479 10.395 1.00 0.00 H new ATOM 1346 N ALA A 79 75.194 15.601 4.830 1.00 0.00 N ATOM 1347 CA ALA A 79 74.521 15.830 3.530 1.00 0.00 C ATOM 1348 C ALA A 79 73.870 14.546 3.049 1.00 0.00 C ATOM 1349 O ALA A 79 72.662 14.416 3.035 1.00 0.00 O ATOM 1350 CB ALA A 79 75.543 16.315 2.501 1.00 0.00 C ATOM 0 H ALA A 79 75.788 14.773 4.875 1.00 0.00 H new ATOM 0 HA ALA A 79 73.750 16.590 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.046 16.483 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.992 17.247 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.321 15.562 2.378 1.00 0.00 H new ATOM 1356 N LEU A 80 74.654 13.588 2.671 1.00 0.00 N ATOM 1357 CA LEU A 80 74.072 12.303 2.210 1.00 0.00 C ATOM 1358 C LEU A 80 73.431 11.601 3.402 1.00 0.00 C ATOM 1359 O LEU A 80 72.795 10.576 3.259 1.00 0.00 O ATOM 1360 CB LEU A 80 75.170 11.418 1.617 1.00 0.00 C ATOM 1361 CG LEU A 80 75.438 11.838 0.171 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.941 12.034 -0.034 1.00 0.00 C ATOM 1363 CD2 LEU A 80 74.934 10.747 -0.777 1.00 0.00 C ATOM 0 H LEU A 80 75.673 13.636 2.660 1.00 0.00 H new ATOM 0 HA LEU A 80 73.321 12.491 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.082 11.507 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 80 74.867 10.371 1.653 1.00 0.00 H new ATOM 0 HG LEU A 80 74.918 12.773 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 80 77.132 12.333 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.302 12.809 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.462 11.099 0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 80 75.124 11.045 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 80 75.455 9.813 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.863 10.605 -0.632 1.00 0.00 H new ATOM 1375 N ILE A 81 73.567 12.152 4.580 1.00 0.00 N ATOM 1376 CA ILE A 81 72.935 11.508 5.756 1.00 0.00 C ATOM 1377 C ILE A 81 71.431 11.748 5.642 1.00 0.00 C ATOM 1378 O ILE A 81 70.615 10.964 6.078 1.00 0.00 O ATOM 1379 CB ILE A 81 73.523 12.068 7.080 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.496 12.912 7.846 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.755 12.917 6.805 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.641 11.990 8.714 1.00 0.00 C ATOM 0 H ILE A 81 74.083 13.010 4.772 1.00 0.00 H new ATOM 0 HA ILE A 81 73.137 10.437 5.774 1.00 0.00 H new ATOM 0 HB ILE A 81 73.796 11.209 7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 81 73.004 13.650 8.467 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.866 13.463 7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 81 75.151 13.299 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.514 12.309 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.484 13.752 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.908 12.582 9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 81 71.124 11.269 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 81 72.280 11.459 9.420 1.00 0.00 H new ATOM 1394 N GLU A 82 71.064 12.828 5.027 1.00 0.00 N ATOM 1395 CA GLU A 82 69.626 13.118 4.852 1.00 0.00 C ATOM 1396 C GLU A 82 69.117 12.405 3.597 1.00 0.00 C ATOM 1397 O GLU A 82 67.932 12.379 3.329 1.00 0.00 O ATOM 1398 CB GLU A 82 69.416 14.628 4.711 1.00 0.00 C ATOM 1399 CG GLU A 82 68.492 15.123 5.824 1.00 0.00 C ATOM 1400 CD GLU A 82 67.053 14.703 5.518 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.438 15.338 4.677 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.590 13.754 6.129 1.00 0.00 O ATOM 0 H GLU A 82 71.700 13.524 4.637 1.00 0.00 H new ATOM 0 HA GLU A 82 69.074 12.763 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.374 15.145 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.983 14.856 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.806 14.710 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.555 16.208 5.908 1.00 0.00 H new ATOM 1409 N LYS A 83 69.998 11.825 2.819 1.00 0.00 N ATOM 1410 CA LYS A 83 69.540 11.125 1.593 1.00 0.00 C ATOM 1411 C LYS A 83 70.314 9.817 1.391 1.00 0.00 C ATOM 1412 O LYS A 83 70.634 9.449 0.278 1.00 0.00 O ATOM 1413 CB LYS A 83 69.752 12.033 0.380 1.00 0.00 C ATOM 1414 CG LYS A 83 68.671 13.116 0.356 1.00 0.00 C ATOM 1415 CD LYS A 83 68.333 13.469 -1.093 1.00 0.00 C ATOM 1416 CE LYS A 83 69.249 14.597 -1.571 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.428 15.679 -2.184 1.00 0.00 N ATOM 0 H LYS A 83 71.005 11.809 2.983 1.00 0.00 H new ATOM 0 HA LYS A 83 68.481 10.889 1.703 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.740 12.492 0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.714 11.446 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 83 67.778 12.765 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.018 14.003 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 83 68.455 12.593 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 83 67.290 13.776 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 83 69.824 14.992 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 83 69.966 14.214 -2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 69.051 16.446 -2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 67.898 15.297 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.761 16.051 -1.478 1.00 0.00 H new ATOM 1431 N LEU A 84 70.610 9.098 2.445 1.00 0.00 N ATOM 1432 CA LEU A 84 71.347 7.817 2.265 1.00 0.00 C ATOM 1433 C LEU A 84 70.874 6.760 3.276 1.00 0.00 C ATOM 1434 O LEU A 84 71.376 5.654 3.298 1.00 0.00 O ATOM 1435 CB LEU A 84 72.857 8.051 2.409 1.00 0.00 C ATOM 1436 CG LEU A 84 73.238 8.117 3.884 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.413 6.702 4.439 1.00 0.00 C ATOM 1438 CD2 LEU A 84 74.556 8.882 4.033 1.00 0.00 C ATOM 0 H LEU A 84 70.376 9.340 3.408 1.00 0.00 H new ATOM 0 HA LEU A 84 71.139 7.443 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.406 7.247 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.138 8.979 1.911 1.00 0.00 H new ATOM 0 HG LEU A 84 72.449 8.627 4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 84 73.685 6.756 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 84 72.478 6.151 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.201 6.189 3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.831 8.931 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 84 75.340 8.368 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 84 74.436 9.892 3.642 1.00 0.00 H new ATOM 1450 N GLY A 85 69.915 7.072 4.108 1.00 0.00 N ATOM 1451 CA GLY A 85 69.441 6.055 5.097 1.00 0.00 C ATOM 1452 C GLY A 85 70.544 5.812 6.127 1.00 0.00 C ATOM 1453 O GLY A 85 70.930 4.693 6.398 1.00 0.00 O ATOM 0 H GLY A 85 69.443 7.975 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.534 6.404 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.189 5.124 4.589 1.00 0.00 H new ATOM 1457 N ILE A 86 71.067 6.869 6.676 1.00 0.00 N ATOM 1458 CA ILE A 86 72.160 6.771 7.661 1.00 0.00 C ATOM 1459 C ILE A 86 71.592 6.622 9.082 1.00 0.00 C ATOM 1460 O ILE A 86 71.438 5.524 9.580 1.00 0.00 O ATOM 1461 CB ILE A 86 72.971 8.060 7.521 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.778 8.359 8.770 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.027 9.227 7.260 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.350 7.066 9.357 1.00 0.00 C ATOM 0 H ILE A 86 70.768 7.823 6.472 1.00 0.00 H new ATOM 0 HA ILE A 86 72.785 5.896 7.484 1.00 0.00 H new ATOM 0 HB ILE A 86 73.662 7.925 6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.589 9.047 8.531 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.147 8.854 9.509 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.604 10.146 7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.470 9.046 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.330 9.325 8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.927 7.297 10.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.534 6.391 9.615 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.998 6.588 8.622 1.00 0.00 H new ATOM 1476 N ARG A 87 71.279 7.705 9.738 1.00 0.00 N ATOM 1477 CA ARG A 87 70.730 7.626 11.100 1.00 0.00 C ATOM 1478 C ARG A 87 69.219 7.441 11.017 1.00 0.00 C ATOM 1479 O ARG A 87 68.724 6.504 10.424 1.00 0.00 O ATOM 1480 CB ARG A 87 71.089 8.918 11.839 1.00 0.00 C ATOM 1481 CG ARG A 87 72.608 9.010 12.001 1.00 0.00 C ATOM 1482 CD ARG A 87 72.939 9.673 13.339 1.00 0.00 C ATOM 1483 NE ARG A 87 72.006 10.810 13.575 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.150 11.920 12.904 1.00 0.00 C ATOM 1485 NH1 ARG A 87 73.344 12.387 12.662 1.00 0.00 N ATOM 1486 NH2 ARG A 87 71.099 12.563 12.473 1.00 0.00 N ATOM 0 H ARG A 87 71.386 8.651 9.373 1.00 0.00 H new ATOM 0 HA ARG A 87 71.148 6.779 11.643 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.719 9.781 11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.607 8.936 12.816 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.050 8.015 11.957 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.038 9.586 11.181 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.855 8.947 14.147 1.00 0.00 H new ATOM 0 HD3 ARG A 87 73.969 10.029 13.335 1.00 0.00 H new ATOM 0 HE ARG A 87 71.256 10.721 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 87 74.166 11.884 12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 87 73.456 13.255 12.137 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.165 12.198 12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 87 71.211 13.431 11.949 1.00 0.00 H new ATOM 1500 N GLY A 88 68.492 8.326 11.606 1.00 0.00 N ATOM 1501 CA GLY A 88 67.006 8.225 11.578 1.00 0.00 C ATOM 1502 C GLY A 88 66.539 7.236 12.648 1.00 0.00 C ATOM 1503 O GLY A 88 67.332 6.391 13.031 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.399 7.341 13.066 1.00 0.00 O ATOM 0 H GLY A 88 68.859 9.130 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.561 9.204 11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.672 7.896 10.594 1.00 0.00 H new TER 1508 GLY A 88