USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 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 Single : A 5 THR OG1 : rot 25:sc= 0.603 USER MOD Single : A 7 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.56) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 94:sc= 1.21 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.906 K(o=-0.91,f=-2.3!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.53 K(o=-2.5,f=-0.76) USER MOD Single : A 34 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.61) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.44) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0102) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 49 SER OG : rot 18:sc= 0.68 USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.187) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -46:sc= 1.13 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 57:sc= 0.341 USER MOD Single : A 62 GLN : amide:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.7 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= -2.33 K(o=-2.3,f=-10!) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -9.904 -7.873 8.198 1.00 51.20 N ATOM 2 CA THR A 5 -8.751 -7.143 7.684 1.00 70.10 C ATOM 3 C THR A 5 -8.190 -7.819 6.437 1.00 3.41 C ATOM 4 O THR A 5 -7.807 -7.152 5.476 1.00 45.10 O ATOM 5 CB THR A 5 -7.666 -7.043 8.756 1.00 30.30 C ATOM 6 OG1 THR A 5 -8.239 -7.043 10.052 1.00 3.15 O ATOM 7 CG2 THR A 5 -6.813 -5.798 8.631 1.00 52.50 C ATOM 0 HA THR A 5 -9.079 -6.139 7.414 1.00 70.10 H new ATOM 0 HB THR A 5 -7.031 -7.916 8.605 1.00 30.30 H new ATOM 0 HG1 THR A 5 -9.110 -7.491 10.024 1.00 3.15 H new ATOM 0 HG21 THR A 5 -6.063 -5.790 9.422 1.00 52.50 H new ATOM 0 HG22 THR A 5 -6.317 -5.793 7.661 1.00 52.50 H new ATOM 0 HG23 THR A 5 -7.444 -4.914 8.720 1.00 52.50 H new ATOM 15 N LEU A 6 -8.146 -9.147 6.460 1.00 74.30 N ATOM 16 CA LEU A 6 -7.631 -9.914 5.332 1.00 5.43 C ATOM 17 C LEU A 6 -8.539 -9.766 4.115 1.00 32.40 C ATOM 18 O LEU A 6 -8.066 -9.563 2.996 1.00 53.50 O ATOM 19 CB LEU A 6 -7.501 -11.390 5.709 1.00 14.10 C ATOM 20 CG LEU A 6 -6.171 -11.770 6.356 1.00 22.40 C ATOM 21 CD1 LEU A 6 -5.037 -11.670 5.347 1.00 52.10 C ATOM 22 CD2 LEU A 6 -5.892 -10.900 7.567 1.00 62.30 C ATOM 0 H LEU A 6 -8.461 -9.714 7.247 1.00 74.30 H new ATOM 0 HA LEU A 6 -6.646 -9.523 5.078 1.00 5.43 H new ATOM 0 HB2 LEU A 6 -8.309 -11.648 6.393 1.00 14.10 H new ATOM 0 HB3 LEU A 6 -7.638 -11.993 4.812 1.00 14.10 H new ATOM 0 HG LEU A 6 -6.239 -12.805 6.692 1.00 22.40 H new ATOM 0 HD11 LEU A 6 -4.098 -11.945 5.827 1.00 52.10 H new ATOM 0 HD12 LEU A 6 -5.230 -12.346 4.514 1.00 52.10 H new ATOM 0 HD13 LEU A 6 -4.969 -10.647 4.976 1.00 52.10 H new ATOM 0 HD21 LEU A 6 -4.940 -11.189 8.011 1.00 62.30 H new ATOM 0 HD22 LEU A 6 -5.847 -9.855 7.262 1.00 62.30 H new ATOM 0 HD23 LEU A 6 -6.688 -11.030 8.300 1.00 62.30 H new ATOM 34 N GLN A 7 -9.845 -9.868 4.341 1.00 24.30 N ATOM 35 CA GLN A 7 -10.810 -9.745 3.262 1.00 63.10 C ATOM 36 C GLN A 7 -10.720 -8.379 2.593 1.00 32.40 C ATOM 37 O GLN A 7 -10.970 -8.242 1.396 1.00 35.40 O ATOM 38 CB GLN A 7 -12.230 -9.963 3.799 1.00 34.30 C ATOM 39 CG GLN A 7 -13.230 -10.380 2.732 1.00 5.43 C ATOM 40 CD GLN A 7 -12.830 -11.660 2.032 1.00 0.14 C ATOM 41 OE1 GLN A 7 -13.230 -12.750 2.435 1.00 62.20 O ATOM 42 NE2 GLN A 7 -12.030 -11.540 0.977 1.00 25.00 N ATOM 0 H GLN A 7 -10.255 -10.035 5.260 1.00 24.30 H new ATOM 0 HA GLN A 7 -10.579 -10.507 2.518 1.00 63.10 H new ATOM 0 HB2 GLN A 7 -12.202 -10.727 4.576 1.00 34.30 H new ATOM 0 HB3 GLN A 7 -12.576 -9.043 4.269 1.00 34.30 H new ATOM 0 HG2 GLN A 7 -14.211 -10.511 3.189 1.00 5.43 H new ATOM 0 HG3 GLN A 7 -13.325 -9.582 1.996 1.00 5.43 H new ATOM 0 HE21 GLN A 7 -11.720 -10.617 0.674 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -11.726 -12.371 0.470 1.00 25.00 H new ATOM 51 N LYS A 8 -10.340 -7.369 3.373 1.00 61.10 N ATOM 52 CA LYS A 8 -10.210 -6.012 2.856 1.00 64.40 C ATOM 53 C LYS A 8 -8.853 -5.809 2.203 1.00 32.40 C ATOM 54 O LYS A 8 -8.720 -5.049 1.244 1.00 13.20 O ATOM 55 CB LYS A 8 -10.410 -4.993 3.981 1.00 44.20 C ATOM 56 CG LYS A 8 -11.870 -4.657 4.249 1.00 74.00 C ATOM 57 CD LYS A 8 -12.460 -3.825 3.124 1.00 52.30 C ATOM 58 CE LYS A 8 -13.980 -3.799 3.195 1.00 4.04 C ATOM 59 NZ LYS A 8 -14.600 -3.670 1.845 1.00 21.40 N ATOM 0 H LYS A 8 -10.117 -7.466 4.364 1.00 61.10 H new ATOM 0 HA LYS A 8 -10.981 -5.861 2.100 1.00 64.40 H new ATOM 0 HB2 LYS A 8 -9.962 -5.382 4.895 1.00 44.20 H new ATOM 0 HB3 LYS A 8 -9.876 -4.077 3.729 1.00 44.20 H new ATOM 0 HG2 LYS A 8 -12.442 -5.578 4.362 1.00 74.00 H new ATOM 0 HG3 LYS A 8 -11.953 -4.112 5.189 1.00 74.00 H new ATOM 0 HD2 LYS A 8 -12.074 -2.807 3.180 1.00 52.30 H new ATOM 0 HD3 LYS A 8 -12.145 -4.233 2.163 1.00 52.30 H new ATOM 0 HE2 LYS A 8 -14.336 -4.712 3.672 1.00 4.04 H new ATOM 0 HE3 LYS A 8 -14.300 -2.966 3.822 1.00 4.04 H new ATOM 0 HZ1 LYS A 8 -15.636 -3.656 1.939 1.00 21.40 H new ATOM 0 HZ2 LYS A 8 -14.281 -2.786 1.399 1.00 21.40 H new ATOM 0 HZ3 LYS A 8 -14.317 -4.478 1.254 1.00 21.40 H new ATOM 73 N ALA A 9 -7.843 -6.494 2.730 1.00 63.20 N ATOM 74 CA ALA A 9 -6.490 -6.389 2.199 1.00 10.40 C ATOM 75 C ALA A 9 -6.423 -6.901 0.764 1.00 41.50 C ATOM 76 O ALA A 9 -5.712 -6.343 -0.072 1.00 42.30 O ATOM 77 CB ALA A 9 -5.517 -7.156 3.081 1.00 64.00 C ATOM 0 H ALA A 9 -7.937 -7.127 3.524 1.00 63.20 H new ATOM 0 HA ALA A 9 -6.208 -5.336 2.195 1.00 10.40 H new ATOM 0 HB1 ALA A 9 -4.510 -7.069 2.673 1.00 64.00 H new ATOM 0 HB2 ALA A 9 -5.537 -6.743 4.089 1.00 64.00 H new ATOM 0 HB3 ALA A 9 -5.806 -8.206 3.114 1.00 64.00 H new ATOM 83 N ILE A 10 -7.167 -7.966 0.485 1.00 75.10 N ATOM 84 CA ILE A 10 -7.192 -8.554 -0.849 1.00 44.40 C ATOM 85 C ILE A 10 -8.084 -7.748 -1.787 1.00 14.20 C ATOM 86 O ILE A 10 -7.685 -7.412 -2.902 1.00 21.20 O ATOM 87 CB ILE A 10 -7.689 -10.010 -0.813 1.00 74.30 C ATOM 88 CG1 ILE A 10 -6.959 -10.790 0.278 1.00 21.50 C ATOM 89 CG2 ILE A 10 -7.494 -10.670 -2.170 1.00 74.30 C ATOM 90 CD1 ILE A 10 -7.626 -12.110 0.626 1.00 12.10 C ATOM 0 H ILE A 10 -7.761 -8.440 1.166 1.00 75.10 H new ATOM 0 HA ILE A 10 -6.167 -8.538 -1.221 1.00 44.40 H new ATOM 0 HB ILE A 10 -8.754 -10.012 -0.583 1.00 74.30 H new ATOM 0 HG12 ILE A 10 -5.936 -10.983 -0.046 1.00 21.50 H new ATOM 0 HG13 ILE A 10 -6.898 -10.174 1.176 1.00 21.50 H new ATOM 0 HG21 ILE A 10 -7.850 -11.699 -2.129 1.00 74.30 H new ATOM 0 HG22 ILE A 10 -8.056 -10.122 -2.926 1.00 74.30 H new ATOM 0 HG23 ILE A 10 -6.435 -10.663 -2.429 1.00 74.30 H new ATOM 0 HD11 ILE A 10 -7.055 -12.611 1.407 1.00 12.10 H new ATOM 0 HD12 ILE A 10 -8.640 -11.923 0.981 1.00 12.10 H new ATOM 0 HD13 ILE A 10 -7.663 -12.744 -0.260 1.00 12.10 H new ATOM 102 N ASP A 11 -9.293 -7.441 -1.327 1.00 13.20 N ATOM 103 CA ASP A 11 -10.240 -6.674 -2.125 1.00 32.00 C ATOM 104 C ASP A 11 -9.663 -5.315 -2.504 1.00 12.00 C ATOM 105 O ASP A 11 -9.978 -4.767 -3.561 1.00 12.40 O ATOM 106 CB ASP A 11 -11.550 -6.486 -1.357 1.00 41.30 C ATOM 107 CG ASP A 11 -12.400 -7.741 -1.350 1.00 34.20 C ATOM 108 OD1 ASP A 11 -11.920 -8.780 -0.848 1.00 41.00 O ATOM 109 OD2 ASP A 11 -13.540 -7.685 -1.846 1.00 4.41 O ATOM 0 H ASP A 11 -9.639 -7.712 -0.406 1.00 13.20 H new ATOM 0 HA ASP A 11 -10.437 -7.232 -3.041 1.00 32.00 H new ATOM 0 HB2 ASP A 11 -11.328 -6.195 -0.330 1.00 41.30 H new ATOM 0 HB3 ASP A 11 -12.116 -5.669 -1.804 1.00 41.30 H new ATOM 114 N LEU A 12 -8.814 -4.776 -1.635 1.00 55.30 N ATOM 115 CA LEU A 12 -8.190 -3.481 -1.879 1.00 32.30 C ATOM 116 C LEU A 12 -7.143 -3.581 -2.984 1.00 2.01 C ATOM 117 O LEU A 12 -7.184 -2.835 -3.962 1.00 52.40 O ATOM 118 CB LEU A 12 -7.546 -2.951 -0.596 1.00 33.40 C ATOM 119 CG LEU A 12 -8.526 -2.405 0.443 1.00 21.10 C ATOM 120 CD1 LEU A 12 -7.926 -2.488 1.838 1.00 41.40 C ATOM 121 CD2 LEU A 12 -8.911 -0.972 0.109 1.00 44.40 C ATOM 0 H LEU A 12 -8.543 -5.216 -0.756 1.00 55.30 H new ATOM 0 HA LEU A 12 -8.966 -2.787 -2.201 1.00 32.30 H new ATOM 0 HB2 LEU A 12 -6.967 -3.754 -0.140 1.00 33.40 H new ATOM 0 HB3 LEU A 12 -6.843 -2.161 -0.860 1.00 33.40 H new ATOM 0 HG LEU A 12 -9.428 -3.017 0.422 1.00 21.10 H new ATOM 0 HD11 LEU A 12 -8.638 -2.095 2.564 1.00 41.40 H new ATOM 0 HD12 LEU A 12 -7.701 -3.528 2.076 1.00 41.40 H new ATOM 0 HD13 LEU A 12 -7.008 -1.901 1.875 1.00 41.40 H new ATOM 0 HD21 LEU A 12 -9.609 -0.599 0.858 1.00 44.40 H new ATOM 0 HD22 LEU A 12 -8.018 -0.347 0.102 1.00 44.40 H new ATOM 0 HD23 LEU A 12 -9.383 -0.941 -0.873 1.00 44.40 H new ATOM 133 N VAL A 13 -6.205 -4.509 -2.820 1.00 3.33 N ATOM 134 CA VAL A 13 -5.147 -4.707 -3.802 1.00 24.30 C ATOM 135 C VAL A 13 -5.720 -5.151 -5.145 1.00 65.30 C ATOM 136 O VAL A 13 -5.198 -4.795 -6.202 1.00 3.45 O ATOM 137 CB VAL A 13 -4.121 -5.751 -3.318 1.00 4.15 C ATOM 138 CG1 VAL A 13 -4.784 -7.107 -3.123 1.00 15.20 C ATOM 139 CG2 VAL A 13 -2.959 -5.853 -4.294 1.00 2.51 C ATOM 0 H VAL A 13 -6.157 -5.135 -2.016 1.00 3.33 H new ATOM 0 HA VAL A 13 -4.644 -3.748 -3.926 1.00 24.30 H new ATOM 0 HB VAL A 13 -3.729 -5.424 -2.355 1.00 4.15 H new ATOM 0 HG11 VAL A 13 -4.042 -7.829 -2.781 1.00 15.20 H new ATOM 0 HG12 VAL A 13 -5.576 -7.021 -2.379 1.00 15.20 H new ATOM 0 HG13 VAL A 13 -5.209 -7.444 -4.069 1.00 15.20 H new ATOM 0 HG21 VAL A 13 -2.246 -6.595 -3.935 1.00 2.51 H new ATOM 0 HG22 VAL A 13 -3.332 -6.153 -5.273 1.00 2.51 H new ATOM 0 HG23 VAL A 13 -2.465 -4.885 -4.374 1.00 2.51 H new ATOM 149 N THR A 14 -6.797 -5.929 -5.096 1.00 43.10 N ATOM 150 CA THR A 14 -7.441 -6.420 -6.309 1.00 12.20 C ATOM 151 C THR A 14 -7.887 -5.262 -7.196 1.00 31.20 C ATOM 152 O THR A 14 -7.547 -5.206 -8.378 1.00 64.00 O ATOM 153 CB THR A 14 -8.642 -7.298 -5.954 1.00 22.30 C ATOM 154 OG1 THR A 14 -8.248 -8.377 -5.125 1.00 10.20 O ATOM 155 CG2 THR A 14 -9.337 -7.881 -7.166 1.00 62.00 C ATOM 0 H THR A 14 -7.242 -6.233 -4.230 1.00 43.10 H new ATOM 0 HA THR A 14 -6.714 -7.016 -6.860 1.00 12.20 H new ATOM 0 HB THR A 14 -9.339 -6.638 -5.438 1.00 22.30 H new ATOM 0 HG1 THR A 14 -8.368 -8.128 -4.185 1.00 10.20 H new ATOM 0 HG21 THR A 14 -10.179 -8.493 -6.843 1.00 62.00 H new ATOM 0 HG22 THR A 14 -9.698 -7.073 -7.802 1.00 62.00 H new ATOM 0 HG23 THR A 14 -8.634 -8.498 -7.727 1.00 62.00 H new ATOM 163 N LYS A 15 -8.648 -4.339 -6.618 1.00 74.20 N ATOM 164 CA LYS A 15 -9.139 -3.181 -7.356 1.00 65.30 C ATOM 165 C LYS A 15 -7.979 -2.345 -7.888 1.00 2.11 C ATOM 166 O LYS A 15 -8.082 -1.725 -8.946 1.00 35.40 O ATOM 167 CB LYS A 15 -10.030 -2.322 -6.462 1.00 75.30 C ATOM 168 CG LYS A 15 -11.500 -2.707 -6.524 1.00 1.03 C ATOM 169 CD LYS A 15 -12.400 -1.550 -6.118 1.00 30.50 C ATOM 170 CE LYS A 15 -13.610 -2.032 -5.340 1.00 11.20 C ATOM 171 NZ LYS A 15 -14.780 -1.123 -5.512 1.00 75.50 N ATOM 0 H LYS A 15 -8.938 -4.370 -5.641 1.00 74.20 H new ATOM 0 HA LYS A 15 -9.724 -3.542 -8.202 1.00 65.30 H new ATOM 0 HB2 LYS A 15 -9.684 -2.403 -5.432 1.00 75.30 H new ATOM 0 HB3 LYS A 15 -9.923 -1.277 -6.752 1.00 75.30 H new ATOM 0 HG2 LYS A 15 -11.751 -3.026 -7.536 1.00 1.03 H new ATOM 0 HG3 LYS A 15 -11.682 -3.558 -5.867 1.00 1.03 H new ATOM 0 HD2 LYS A 15 -11.834 -0.843 -5.511 1.00 30.50 H new ATOM 0 HD3 LYS A 15 -12.729 -1.014 -7.008 1.00 30.50 H new ATOM 0 HE2 LYS A 15 -13.878 -3.035 -5.671 1.00 11.20 H new ATOM 0 HE3 LYS A 15 -13.357 -2.102 -4.282 1.00 11.20 H new ATOM 0 HZ1 LYS A 15 -15.586 -1.487 -4.965 1.00 75.50 H new ATOM 0 HZ2 LYS A 15 -14.533 -0.171 -5.173 1.00 75.50 H new ATOM 0 HZ3 LYS A 15 -15.038 -1.076 -6.518 1.00 75.50 H new ATOM 185 N ALA A 16 -6.876 -2.335 -7.147 1.00 35.20 N ATOM 186 CA ALA A 16 -5.696 -1.576 -7.544 1.00 13.40 C ATOM 187 C ALA A 16 -5.075 -2.154 -8.811 1.00 50.40 C ATOM 188 O ALA A 16 -4.650 -1.415 -9.699 1.00 11.20 O ATOM 189 CB ALA A 16 -4.677 -1.557 -6.415 1.00 51.10 C ATOM 0 H ALA A 16 -6.775 -2.844 -6.269 1.00 35.20 H new ATOM 0 HA ALA A 16 -6.005 -0.552 -7.756 1.00 13.40 H new ATOM 0 HB1 ALA A 16 -3.801 -0.987 -6.725 1.00 51.10 H new ATOM 0 HB2 ALA A 16 -5.119 -1.092 -5.534 1.00 51.10 H new ATOM 0 HB3 ALA A 16 -4.380 -2.578 -6.176 1.00 51.10 H new ATOM 195 N THR A 17 -5.025 -3.480 -8.887 1.00 1.44 N ATOM 196 CA THR A 17 -4.456 -4.159 -10.040 1.00 43.30 C ATOM 197 C THR A 17 -5.219 -3.796 -11.310 1.00 71.40 C ATOM 198 O THR A 17 -4.621 -3.548 -12.360 1.00 64.30 O ATOM 199 CB THR A 17 -4.479 -5.674 -9.838 1.00 0.41 C ATOM 200 OG1 THR A 17 -4.561 -5.991 -8.460 1.00 41.30 O ATOM 201 CG2 THR A 17 -3.259 -6.373 -10.390 1.00 2.23 C ATOM 0 H THR A 17 -5.373 -4.105 -8.160 1.00 1.44 H new ATOM 0 HA THR A 17 -3.421 -3.832 -10.146 1.00 43.30 H new ATOM 0 HB THR A 17 -5.356 -6.023 -10.383 1.00 0.41 H new ATOM 0 HG1 THR A 17 -4.576 -6.965 -8.349 1.00 41.30 H new ATOM 0 HG21 THR A 17 -3.342 -7.445 -10.212 1.00 2.23 H new ATOM 0 HG22 THR A 17 -3.187 -6.188 -11.462 1.00 2.23 H new ATOM 0 HG23 THR A 17 -2.366 -5.991 -9.895 1.00 2.23 H new ATOM 209 N GLU A 18 -6.544 -3.765 -11.210 1.00 13.40 N ATOM 210 CA GLU A 18 -7.391 -3.431 -12.350 1.00 60.20 C ATOM 211 C GLU A 18 -7.148 -1.995 -12.800 1.00 5.03 C ATOM 212 O GLU A 18 -7.181 -1.695 -14.000 1.00 14.10 O ATOM 213 CB GLU A 18 -8.867 -3.620 -11.990 1.00 73.10 C ATOM 214 CG GLU A 18 -9.140 -4.865 -11.160 1.00 72.50 C ATOM 215 CD GLU A 18 -10.600 -5.245 -11.150 1.00 14.30 C ATOM 216 OE1 GLU A 18 -11.260 -5.108 -12.200 1.00 3.20 O ATOM 217 OE2 GLU A 18 -11.090 -5.679 -10.080 1.00 35.00 O ATOM 0 H GLU A 18 -7.055 -3.967 -10.351 1.00 13.40 H new ATOM 0 HA GLU A 18 -7.136 -4.102 -13.170 1.00 60.20 H new ATOM 0 HB2 GLU A 18 -9.213 -2.745 -11.440 1.00 73.10 H new ATOM 0 HB3 GLU A 18 -9.452 -3.671 -12.908 1.00 73.10 H new ATOM 0 HG2 GLU A 18 -8.555 -5.696 -11.554 1.00 72.50 H new ATOM 0 HG3 GLU A 18 -8.805 -4.696 -10.137 1.00 72.50 H new ATOM 224 N GLU A 19 -6.905 -1.112 -11.840 1.00 40.40 N ATOM 225 CA GLU A 19 -6.656 0.293 -12.140 1.00 64.40 C ATOM 226 C GLU A 19 -5.286 0.478 -12.790 1.00 22.10 C ATOM 227 O GLU A 19 -5.151 1.184 -13.780 1.00 41.40 O ATOM 228 CB GLU A 19 -6.746 1.130 -10.860 1.00 61.10 C ATOM 229 CG GLU A 19 -8.155 1.234 -10.300 1.00 5.04 C ATOM 230 CD GLU A 19 -9.153 1.741 -11.320 1.00 1.22 C ATOM 231 OE1 GLU A 19 -9.549 0.953 -12.210 1.00 3.52 O ATOM 232 OE2 GLU A 19 -9.539 2.926 -11.240 1.00 1.20 O ATOM 0 H GLU A 19 -6.875 -1.343 -10.847 1.00 40.40 H new ATOM 0 HA GLU A 19 -7.418 0.631 -12.843 1.00 64.40 H new ATOM 0 HB2 GLU A 19 -6.094 0.693 -10.103 1.00 61.10 H new ATOM 0 HB3 GLU A 19 -6.370 2.133 -11.064 1.00 61.10 H new ATOM 0 HG2 GLU A 19 -8.473 0.255 -9.942 1.00 5.04 H new ATOM 0 HG3 GLU A 19 -8.151 1.902 -9.439 1.00 5.04 H new ATOM 239 N ASP A 20 -4.274 -0.161 -12.210 1.00 71.40 N ATOM 240 CA ASP A 20 -2.915 -0.068 -12.730 1.00 30.20 C ATOM 241 C ASP A 20 -2.831 -0.635 -14.140 1.00 3.51 C ATOM 242 O ASP A 20 -2.039 -0.169 -14.960 1.00 23.40 O ATOM 243 CB ASP A 20 -1.943 -0.811 -11.810 1.00 52.40 C ATOM 244 CG ASP A 20 -0.496 -0.458 -12.090 1.00 55.30 C ATOM 245 OD1 ASP A 20 -0.028 0.582 -11.580 1.00 2.12 O ATOM 246 OD2 ASP A 20 0.169 -1.221 -12.820 1.00 50.40 O ATOM 0 H ASP A 20 -4.370 -0.748 -11.381 1.00 71.40 H new ATOM 0 HA ASP A 20 -2.638 0.986 -12.766 1.00 30.20 H new ATOM 0 HB2 ASP A 20 -2.177 -0.575 -10.772 1.00 52.40 H new ATOM 0 HB3 ASP A 20 -2.082 -1.885 -11.931 1.00 52.40 H new ATOM 251 N LYS A 21 -3.651 -1.643 -14.420 1.00 4.32 N ATOM 252 CA LYS A 21 -3.668 -2.273 -15.740 1.00 23.10 C ATOM 253 C LYS A 21 -4.630 -1.554 -16.680 1.00 41.00 C ATOM 254 O LYS A 21 -4.467 -1.597 -17.900 1.00 74.30 O ATOM 255 CB LYS A 21 -4.059 -3.748 -15.610 1.00 53.40 C ATOM 256 CG LYS A 21 -5.496 -3.964 -15.170 1.00 44.40 C ATOM 257 CD LYS A 21 -5.751 -5.414 -14.790 1.00 32.30 C ATOM 258 CE LYS A 21 -7.129 -5.873 -15.240 1.00 44.40 C ATOM 259 NZ LYS A 21 -7.141 -7.314 -15.610 1.00 15.40 N ATOM 0 H LYS A 21 -4.312 -2.042 -13.754 1.00 4.32 H new ATOM 0 HA LYS A 21 -2.667 -2.203 -16.165 1.00 23.10 H new ATOM 0 HB2 LYS A 21 -3.905 -4.241 -16.570 1.00 53.40 H new ATOM 0 HB3 LYS A 21 -3.393 -4.229 -14.894 1.00 53.40 H new ATOM 0 HG2 LYS A 21 -5.718 -3.320 -14.319 1.00 44.40 H new ATOM 0 HG3 LYS A 21 -6.171 -3.674 -15.975 1.00 44.40 H new ATOM 0 HD2 LYS A 21 -4.989 -6.049 -15.242 1.00 32.30 H new ATOM 0 HD3 LYS A 21 -5.663 -5.529 -13.710 1.00 32.30 H new ATOM 0 HE2 LYS A 21 -7.849 -5.698 -14.441 1.00 44.40 H new ATOM 0 HE3 LYS A 21 -7.449 -5.276 -16.094 1.00 44.40 H new ATOM 0 HZ1 LYS A 21 -8.098 -7.587 -15.911 1.00 15.40 H new ATOM 0 HZ2 LYS A 21 -6.473 -7.478 -16.390 1.00 15.40 H new ATOM 0 HZ3 LYS A 21 -6.860 -7.886 -14.788 1.00 15.40 H new ATOM 273 N ALA A 22 -5.633 -0.894 -16.110 1.00 23.00 N ATOM 274 CA ALA A 22 -6.619 -0.169 -16.900 1.00 13.40 C ATOM 275 C ALA A 22 -6.274 1.315 -16.990 1.00 70.10 C ATOM 276 O ALA A 22 -7.159 2.160 -17.120 1.00 44.30 O ATOM 277 CB ALA A 22 -8.009 -0.353 -16.310 1.00 42.20 C ATOM 0 H ALA A 22 -5.784 -0.847 -15.102 1.00 23.00 H new ATOM 0 HA ALA A 22 -6.606 -0.579 -17.910 1.00 13.40 H new ATOM 0 HB1 ALA A 22 -8.735 0.195 -16.911 1.00 42.20 H new ATOM 0 HB2 ALA A 22 -8.266 -1.412 -16.307 1.00 42.20 H new ATOM 0 HB3 ALA A 22 -8.024 0.027 -15.288 1.00 42.20 H new ATOM 283 N LYS A 23 -4.983 1.625 -16.920 1.00 61.30 N ATOM 284 CA LYS A 23 -4.522 3.007 -16.990 1.00 13.00 C ATOM 285 C LYS A 23 -5.168 3.860 -15.900 1.00 45.40 C ATOM 286 O LYS A 23 -6.007 4.715 -16.180 1.00 1.11 O ATOM 287 CB LYS A 23 -4.834 3.595 -18.370 1.00 33.20 C ATOM 288 CG LYS A 23 -4.473 2.670 -19.520 1.00 4.12 C ATOM 289 CD LYS A 23 -4.218 3.449 -20.800 1.00 74.40 C ATOM 290 CE LYS A 23 -3.087 2.834 -21.610 1.00 15.20 C ATOM 291 NZ LYS A 23 -2.800 3.615 -22.840 1.00 3.01 N ATOM 0 H LYS A 23 -4.237 0.937 -16.815 1.00 61.30 H new ATOM 0 HA LYS A 23 -3.444 3.013 -16.831 1.00 13.00 H new ATOM 0 HB2 LYS A 23 -5.897 3.830 -18.424 1.00 33.20 H new ATOM 0 HB3 LYS A 23 -4.293 4.534 -18.486 1.00 33.20 H new ATOM 0 HG2 LYS A 23 -3.585 2.094 -19.260 1.00 4.12 H new ATOM 0 HG3 LYS A 23 -5.281 1.956 -19.682 1.00 4.12 H new ATOM 0 HD2 LYS A 23 -5.127 3.471 -21.401 1.00 74.40 H new ATOM 0 HD3 LYS A 23 -3.972 4.482 -20.556 1.00 74.40 H new ATOM 0 HE2 LYS A 23 -2.188 2.780 -20.996 1.00 15.20 H new ATOM 0 HE3 LYS A 23 -3.349 1.812 -21.882 1.00 15.20 H new ATOM 0 HZ1 LYS A 23 -2.023 3.164 -23.364 1.00 3.01 H new ATOM 0 HZ2 LYS A 23 -3.650 3.645 -23.438 1.00 3.01 H new ATOM 0 HZ3 LYS A 23 -2.525 4.584 -22.580 1.00 3.01 H new ATOM 305 N ASN A 24 -4.769 3.621 -14.660 1.00 74.20 N ATOM 306 CA ASN A 24 -5.306 4.367 -13.520 1.00 21.40 C ATOM 307 C ASN A 24 -4.332 4.350 -12.350 1.00 41.30 C ATOM 308 O ASN A 24 -4.520 3.609 -11.390 1.00 11.00 O ATOM 309 CB ASN A 24 -6.654 3.784 -13.100 1.00 62.50 C ATOM 310 CG ASN A 24 -7.826 4.516 -13.720 1.00 24.20 C ATOM 311 OD1 ASN A 24 -7.717 5.686 -14.090 1.00 73.10 O ATOM 312 ND2 ASN A 24 -8.956 3.829 -13.840 1.00 11.40 N ATOM 0 H ASN A 24 -4.074 2.916 -14.412 1.00 74.20 H new ATOM 0 HA ASN A 24 -5.448 5.404 -13.825 1.00 21.40 H new ATOM 0 HB2 ASN A 24 -6.695 2.733 -13.385 1.00 62.50 H new ATOM 0 HB3 ASN A 24 -6.740 3.823 -12.014 1.00 62.50 H new ATOM 0 HD21 ASN A 24 -9.779 4.269 -14.252 1.00 11.40 H new ATOM 0 HD22 ASN A 24 -9.001 2.862 -13.520 1.00 11.40 H new ATOM 319 N TYR A 25 -3.291 5.170 -12.440 1.00 13.50 N ATOM 320 CA TYR A 25 -2.286 5.250 -11.390 1.00 13.50 C ATOM 321 C TYR A 25 -2.804 6.055 -10.200 1.00 12.20 C ATOM 322 O TYR A 25 -2.451 5.783 -9.058 1.00 14.40 O ATOM 323 CB TYR A 25 -1.002 5.884 -11.930 1.00 11.30 C ATOM 324 CG TYR A 25 -0.544 5.300 -13.250 1.00 73.10 C ATOM 325 CD1 TYR A 25 -0.540 3.927 -13.450 1.00 24.20 C ATOM 326 CD2 TYR A 25 -0.117 6.123 -14.280 1.00 53.40 C ATOM 327 CE1 TYR A 25 -0.123 3.390 -14.660 1.00 14.40 C ATOM 328 CE2 TYR A 25 0.301 5.593 -15.490 1.00 44.10 C ATOM 329 CZ TYR A 25 0.296 4.227 -15.670 1.00 62.20 C ATOM 330 OH TYR A 25 0.712 3.695 -16.870 1.00 14.20 O ATOM 0 H TYR A 25 -3.122 5.790 -13.232 1.00 13.50 H new ATOM 0 HA TYR A 25 -2.068 4.237 -11.053 1.00 13.50 H new ATOM 0 HB2 TYR A 25 -1.160 6.956 -12.052 1.00 11.30 H new ATOM 0 HB3 TYR A 25 -0.208 5.760 -11.193 1.00 11.30 H new ATOM 0 HD1 TYR A 25 -0.864 3.270 -12.657 1.00 24.20 H new ATOM 0 HD2 TYR A 25 -0.110 7.194 -14.137 1.00 53.40 H new ATOM 0 HE1 TYR A 25 -0.127 2.320 -14.809 1.00 14.40 H new ATOM 0 HE2 TYR A 25 0.628 6.246 -16.286 1.00 44.10 H new ATOM 0 HH TYR A 25 0.974 4.419 -17.476 1.00 14.20 H new ATOM 340 N GLU A 26 -3.642 7.047 -10.490 1.00 41.20 N ATOM 341 CA GLU A 26 -4.208 7.891 -9.445 1.00 53.10 C ATOM 342 C GLU A 26 -5.126 7.087 -8.531 1.00 35.30 C ATOM 343 O GLU A 26 -5.028 7.170 -7.308 1.00 14.20 O ATOM 344 CB GLU A 26 -4.979 9.058 -10.060 1.00 52.00 C ATOM 345 CG GLU A 26 -6.113 8.622 -10.970 1.00 34.40 C ATOM 346 CD GLU A 26 -6.773 9.789 -11.680 1.00 5.13 C ATOM 347 OE1 GLU A 26 -7.568 10.503 -11.030 1.00 34.20 O ATOM 348 OE2 GLU A 26 -6.494 9.989 -12.880 1.00 2.03 O ATOM 0 H GLU A 26 -3.942 7.284 -11.436 1.00 41.20 H new ATOM 0 HA GLU A 26 -3.384 8.284 -8.849 1.00 53.10 H new ATOM 0 HB2 GLU A 26 -5.384 9.678 -9.260 1.00 52.00 H new ATOM 0 HB3 GLU A 26 -4.288 9.681 -10.627 1.00 52.00 H new ATOM 0 HG2 GLU A 26 -5.730 7.920 -11.711 1.00 34.40 H new ATOM 0 HG3 GLU A 26 -6.861 8.089 -10.383 1.00 34.40 H new ATOM 355 N GLU A 27 -6.019 6.308 -9.134 1.00 13.30 N ATOM 356 CA GLU A 27 -6.955 5.488 -8.373 1.00 61.10 C ATOM 357 C GLU A 27 -6.257 4.260 -7.796 1.00 72.10 C ATOM 358 O GLU A 27 -6.564 3.824 -6.687 1.00 60.20 O ATOM 359 CB GLU A 27 -8.124 5.056 -9.259 1.00 73.40 C ATOM 360 CG GLU A 27 -9.372 4.678 -8.479 1.00 43.10 C ATOM 361 CD GLU A 27 -10.410 5.781 -8.474 1.00 45.00 C ATOM 362 OE1 GLU A 27 -10.020 6.967 -8.490 1.00 75.20 O ATOM 363 OE2 GLU A 27 -11.610 5.459 -8.453 1.00 53.10 O ATOM 0 H GLU A 27 -6.114 6.228 -10.146 1.00 13.30 H new ATOM 0 HA GLU A 27 -7.337 6.088 -7.547 1.00 61.10 H new ATOM 0 HB2 GLU A 27 -8.367 5.867 -9.946 1.00 73.40 H new ATOM 0 HB3 GLU A 27 -7.814 4.206 -9.866 1.00 73.40 H new ATOM 0 HG2 GLU A 27 -9.807 3.776 -8.910 1.00 43.10 H new ATOM 0 HG3 GLU A 27 -9.096 4.439 -7.452 1.00 43.10 H new ATOM 370 N ALA A 28 -5.318 3.707 -8.557 1.00 44.10 N ATOM 371 CA ALA A 28 -4.577 2.530 -8.121 1.00 62.50 C ATOM 372 C ALA A 28 -3.838 2.799 -6.815 1.00 24.20 C ATOM 373 O ALA A 28 -3.824 1.961 -5.914 1.00 51.10 O ATOM 374 CB ALA A 28 -3.600 2.093 -9.202 1.00 42.30 C ATOM 0 H ALA A 28 -5.053 4.055 -9.478 1.00 44.10 H new ATOM 0 HA ALA A 28 -5.291 1.726 -7.944 1.00 62.50 H new ATOM 0 HB1 ALA A 28 -3.053 1.213 -8.864 1.00 42.30 H new ATOM 0 HB2 ALA A 28 -4.149 1.851 -10.112 1.00 42.30 H new ATOM 0 HB3 ALA A 28 -2.897 2.901 -9.406 1.00 42.30 H new ATOM 380 N LEU A 29 -3.225 3.975 -6.720 1.00 61.20 N ATOM 381 CA LEU A 29 -2.485 4.355 -5.522 1.00 55.40 C ATOM 382 C LEU A 29 -3.399 4.370 -4.302 1.00 34.20 C ATOM 383 O LEU A 29 -2.987 4.005 -3.201 1.00 20.30 O ATOM 384 CB LEU A 29 -1.840 5.731 -5.711 1.00 4.32 C ATOM 385 CG LEU A 29 -0.763 6.091 -4.685 1.00 4.02 C ATOM 386 CD1 LEU A 29 -1.389 6.360 -3.326 1.00 30.10 C ATOM 387 CD2 LEU A 29 0.273 4.981 -4.587 1.00 51.20 C ATOM 0 H LEU A 29 -3.226 4.680 -7.457 1.00 61.20 H new ATOM 0 HA LEU A 29 -1.702 3.615 -5.357 1.00 55.40 H new ATOM 0 HB2 LEU A 29 -1.400 5.775 -6.707 1.00 4.32 H new ATOM 0 HB3 LEU A 29 -2.622 6.489 -5.675 1.00 4.32 H new ATOM 0 HG LEU A 29 -0.262 7.000 -5.017 1.00 4.02 H new ATOM 0 HD11 LEU A 29 -0.608 6.614 -2.610 1.00 30.10 H new ATOM 0 HD12 LEU A 29 -2.091 7.190 -3.407 1.00 30.10 H new ATOM 0 HD13 LEU A 29 -1.917 5.469 -2.986 1.00 30.10 H new ATOM 0 HD21 LEU A 29 1.031 5.254 -3.853 1.00 51.20 H new ATOM 0 HD22 LEU A 29 -0.213 4.055 -4.279 1.00 51.20 H new ATOM 0 HD23 LEU A 29 0.745 4.837 -5.559 1.00 51.20 H new ATOM 399 N ARG A 30 -4.643 4.793 -4.506 1.00 4.41 N ATOM 400 CA ARG A 30 -5.617 4.853 -3.422 1.00 1.11 C ATOM 401 C ARG A 30 -5.845 3.470 -2.821 1.00 15.20 C ATOM 402 O ARG A 30 -5.842 3.303 -1.602 1.00 12.10 O ATOM 403 CB ARG A 30 -6.942 5.425 -3.930 1.00 33.30 C ATOM 404 CG ARG A 30 -6.801 6.772 -4.618 1.00 33.20 C ATOM 405 CD ARG A 30 -6.367 7.856 -3.643 1.00 12.10 C ATOM 406 NE ARG A 30 -7.503 8.438 -2.931 1.00 25.00 N ATOM 407 CZ ARG A 30 -7.979 7.971 -1.778 1.00 73.20 C ATOM 408 NH1 ARG A 30 -7.427 6.911 -1.200 1.00 11.00 N ATOM 409 NH2 ARG A 30 -9.015 8.566 -1.201 1.00 5.21 N ATOM 0 H ARG A 30 -5.000 5.099 -5.411 1.00 4.41 H new ATOM 0 HA ARG A 30 -5.221 5.507 -2.646 1.00 1.11 H new ATOM 0 HB2 ARG A 30 -7.390 4.716 -4.626 1.00 33.30 H new ATOM 0 HB3 ARG A 30 -7.630 5.526 -3.091 1.00 33.30 H new ATOM 0 HG2 ARG A 30 -6.072 6.695 -5.425 1.00 33.20 H new ATOM 0 HG3 ARG A 30 -7.752 7.050 -5.073 1.00 33.20 H new ATOM 0 HD2 ARG A 30 -5.664 7.436 -2.923 1.00 12.10 H new ATOM 0 HD3 ARG A 30 -5.838 8.640 -4.185 1.00 12.10 H new ATOM 0 HE ARG A 30 -7.959 9.252 -3.342 1.00 25.00 H new ATOM 0 HH11 ARG A 30 -6.632 6.447 -1.639 1.00 11.00 H new ATOM 0 HH12 ARG A 30 -7.798 6.560 -0.317 1.00 11.00 H new ATOM 0 HH21 ARG A 30 -9.446 9.380 -1.640 1.00 5.21 H new ATOM 0 HH22 ARG A 30 -9.381 8.210 -0.318 1.00 5.21 H new ATOM 423 N LEU A 31 -6.044 2.481 -3.687 1.00 54.50 N ATOM 424 CA LEU A 31 -6.274 1.111 -3.244 1.00 4.52 C ATOM 425 C LEU A 31 -5.022 0.531 -2.595 1.00 12.20 C ATOM 426 O LEU A 31 -5.102 -0.170 -1.586 1.00 12.40 O ATOM 427 CB LEU A 31 -6.703 0.238 -4.425 1.00 70.40 C ATOM 428 CG LEU A 31 -8.210 0.185 -4.679 1.00 53.30 C ATOM 429 CD1 LEU A 31 -8.922 -0.509 -3.528 1.00 14.00 C ATOM 430 CD2 LEU A 31 -8.764 1.588 -4.882 1.00 20.30 C ATOM 0 H LEU A 31 -6.051 2.603 -4.700 1.00 54.50 H new ATOM 0 HA LEU A 31 -7.072 1.124 -2.501 1.00 4.52 H new ATOM 0 HB2 LEU A 31 -6.211 0.605 -5.326 1.00 70.40 H new ATOM 0 HB3 LEU A 31 -6.343 -0.777 -4.256 1.00 70.40 H new ATOM 0 HG LEU A 31 -8.387 -0.391 -5.588 1.00 53.30 H new ATOM 0 HD11 LEU A 31 -9.993 -0.537 -3.727 1.00 14.00 H new ATOM 0 HD12 LEU A 31 -8.545 -1.527 -3.428 1.00 14.00 H new ATOM 0 HD13 LEU A 31 -8.739 0.039 -2.604 1.00 14.00 H new ATOM 0 HD21 LEU A 31 -9.838 1.533 -5.062 1.00 20.30 H new ATOM 0 HD22 LEU A 31 -8.576 2.186 -3.990 1.00 20.30 H new ATOM 0 HD23 LEU A 31 -8.276 2.051 -5.740 1.00 20.30 H new ATOM 442 N TYR A 32 -3.866 0.828 -3.180 1.00 13.30 N ATOM 443 CA TYR A 32 -2.597 0.336 -2.658 1.00 33.10 C ATOM 444 C TYR A 32 -2.370 0.822 -1.230 1.00 55.30 C ATOM 445 O TYR A 32 -1.856 0.087 -0.388 1.00 4.35 O ATOM 446 CB TYR A 32 -1.443 0.790 -3.553 1.00 31.50 C ATOM 447 CG TYR A 32 -1.186 -0.130 -4.726 1.00 22.30 C ATOM 448 CD1 TYR A 32 -1.147 -1.509 -4.556 1.00 60.40 C ATOM 449 CD2 TYR A 32 -0.983 0.379 -6.002 1.00 73.20 C ATOM 450 CE1 TYR A 32 -0.913 -2.353 -5.624 1.00 21.30 C ATOM 451 CE2 TYR A 32 -0.749 -0.458 -7.076 1.00 10.30 C ATOM 452 CZ TYR A 32 -0.715 -1.823 -6.882 1.00 14.10 C ATOM 453 OH TYR A 32 -0.481 -2.660 -7.948 1.00 52.10 O ATOM 0 H TYR A 32 -3.782 1.407 -4.016 1.00 13.30 H new ATOM 0 HA TYR A 32 -2.635 -0.753 -2.650 1.00 33.10 H new ATOM 0 HB2 TYR A 32 -1.657 1.791 -3.928 1.00 31.50 H new ATOM 0 HB3 TYR A 32 -0.536 0.862 -2.953 1.00 31.50 H new ATOM 0 HD1 TYR A 32 -1.302 -1.927 -3.573 1.00 60.40 H new ATOM 0 HD2 TYR A 32 -1.008 1.447 -6.157 1.00 73.20 H new ATOM 0 HE1 TYR A 32 -0.885 -3.422 -5.475 1.00 21.30 H new ATOM 0 HE2 TYR A 32 -0.594 -0.046 -8.062 1.00 10.30 H new ATOM 0 HH TYR A 32 -0.364 -2.128 -8.762 1.00 52.10 H new ATOM 463 N GLN A 33 -2.756 2.066 -0.966 1.00 42.30 N ATOM 464 CA GLN A 33 -2.595 2.651 0.360 1.00 74.40 C ATOM 465 C GLN A 33 -3.392 1.869 1.400 1.00 21.30 C ATOM 466 O GLN A 33 -2.833 1.358 2.370 1.00 64.40 O ATOM 467 CB GLN A 33 -3.040 4.114 0.353 1.00 52.40 C ATOM 468 CG GLN A 33 -1.918 5.090 0.041 1.00 11.50 C ATOM 469 CD GLN A 33 -2.419 6.504 -0.176 1.00 25.10 C ATOM 470 OE1 GLN A 33 -2.062 7.422 0.562 1.00 72.10 O ATOM 471 NE2 GLN A 33 -3.252 6.688 -1.194 1.00 2.33 N ATOM 0 H GLN A 33 -3.182 2.688 -1.653 1.00 42.30 H new ATOM 0 HA GLN A 33 -1.539 2.602 0.626 1.00 74.40 H new ATOM 0 HB2 GLN A 33 -3.835 4.240 -0.382 1.00 52.40 H new ATOM 0 HB3 GLN A 33 -3.465 4.361 1.326 1.00 52.40 H new ATOM 0 HG2 GLN A 33 -1.199 5.085 0.860 1.00 11.50 H new ATOM 0 HG3 GLN A 33 -1.388 4.755 -0.851 1.00 11.50 H new ATOM 0 HE21 GLN A 33 -3.522 5.899 -1.781 1.00 2.33 H new ATOM 0 HE22 GLN A 33 -3.622 7.619 -1.389 1.00 2.33 H new ATOM 480 N HIS A 34 -4.701 1.781 1.190 1.00 15.00 N ATOM 481 CA HIS A 34 -5.576 1.062 2.110 1.00 43.20 C ATOM 482 C HIS A 34 -5.216 -0.420 2.156 1.00 24.40 C ATOM 483 O HIS A 34 -5.268 -1.049 3.213 1.00 62.10 O ATOM 484 CB HIS A 34 -7.038 1.231 1.693 1.00 35.10 C ATOM 485 CG HIS A 34 -7.491 2.657 1.667 1.00 23.00 C ATOM 486 ND1 HIS A 34 -6.696 3.708 2.074 1.00 11.20 N ATOM 487 CD2 HIS A 34 -8.667 3.207 1.278 1.00 21.10 C ATOM 488 CE1 HIS A 34 -7.362 4.841 1.937 1.00 3.24 C ATOM 489 NE2 HIS A 34 -8.560 4.564 1.456 1.00 3.20 N ATOM 0 H HIS A 34 -5.180 2.198 0.392 1.00 15.00 H new ATOM 0 HA HIS A 34 -5.439 1.482 3.106 1.00 43.20 H new ATOM 0 HB2 HIS A 34 -7.178 0.796 0.704 1.00 35.10 H new ATOM 0 HB3 HIS A 34 -7.671 0.670 2.380 1.00 35.10 H new ATOM 0 HD2 HIS A 34 -9.528 2.677 0.899 1.00 21.10 H new ATOM 0 HE1 HIS A 34 -6.990 5.826 2.178 1.00 3.24 H new ATOM 0 HE2 HIS A 34 -9.288 5.248 1.250 1.00 3.20 H new ATOM 498 N ALA A 35 -4.852 -0.971 1.003 1.00 42.40 N ATOM 499 CA ALA A 35 -4.484 -2.379 0.912 1.00 54.30 C ATOM 500 C ALA A 35 -3.290 -2.693 1.807 1.00 65.40 C ATOM 501 O ALA A 35 -3.353 -3.586 2.652 1.00 24.30 O ATOM 502 CB ALA A 35 -4.177 -2.751 -0.531 1.00 55.10 C ATOM 0 H ALA A 35 -4.804 -0.464 0.119 1.00 42.40 H new ATOM 0 HA ALA A 35 -5.330 -2.974 1.257 1.00 54.30 H new ATOM 0 HB1 ALA A 35 -3.904 -3.805 -0.585 1.00 55.10 H new ATOM 0 HB2 ALA A 35 -5.058 -2.573 -1.148 1.00 55.10 H new ATOM 0 HB3 ALA A 35 -3.349 -2.142 -0.895 1.00 55.10 H new ATOM 508 N VAL A 36 -2.202 -1.954 1.615 1.00 34.30 N ATOM 509 CA VAL A 36 -0.994 -2.154 2.405 1.00 62.00 C ATOM 510 C VAL A 36 -1.248 -1.861 3.880 1.00 40.10 C ATOM 511 O VAL A 36 -0.771 -2.582 4.757 1.00 63.10 O ATOM 512 CB VAL A 36 0.159 -1.261 1.907 1.00 50.40 C ATOM 513 CG1 VAL A 36 1.450 -1.595 2.638 1.00 14.30 C ATOM 514 CG2 VAL A 36 0.338 -1.407 0.402 1.00 31.30 C ATOM 0 H VAL A 36 -2.133 -1.211 0.919 1.00 34.30 H new ATOM 0 HA VAL A 36 -0.709 -3.200 2.288 1.00 62.00 H new ATOM 0 HB VAL A 36 -0.094 -0.223 2.121 1.00 50.40 H new ATOM 0 HG11 VAL A 36 2.252 -0.954 2.272 1.00 14.30 H new ATOM 0 HG12 VAL A 36 1.315 -1.433 3.707 1.00 14.30 H new ATOM 0 HG13 VAL A 36 1.710 -2.638 2.459 1.00 14.30 H new ATOM 0 HG21 VAL A 36 1.157 -0.769 0.069 1.00 31.30 H new ATOM 0 HG22 VAL A 36 0.567 -2.445 0.162 1.00 31.30 H new ATOM 0 HG23 VAL A 36 -0.581 -1.112 -0.104 1.00 31.30 H new ATOM 524 N GLU A 37 -2.001 -0.799 4.146 1.00 45.30 N ATOM 525 CA GLU A 37 -2.319 -0.411 5.515 1.00 42.30 C ATOM 526 C GLU A 37 -3.073 -1.524 6.236 1.00 30.10 C ATOM 527 O GLU A 37 -2.777 -1.845 7.387 1.00 3.41 O ATOM 528 CB GLU A 37 -3.151 0.873 5.524 1.00 75.40 C ATOM 529 CG GLU A 37 -2.843 1.789 6.697 1.00 2.24 C ATOM 530 CD GLU A 37 -3.670 3.060 6.676 1.00 15.10 C ATOM 531 OE1 GLU A 37 -4.124 3.455 5.582 1.00 12.20 O ATOM 532 OE2 GLU A 37 -3.865 3.659 7.755 1.00 75.00 O ATOM 0 H GLU A 37 -2.402 -0.192 3.432 1.00 45.30 H new ATOM 0 HA GLU A 37 -1.381 -0.232 6.041 1.00 42.30 H new ATOM 0 HB2 GLU A 37 -2.977 1.415 4.595 1.00 75.40 H new ATOM 0 HB3 GLU A 37 -4.209 0.611 5.547 1.00 75.40 H new ATOM 0 HG2 GLU A 37 -3.028 1.255 7.629 1.00 2.24 H new ATOM 0 HG3 GLU A 37 -1.784 2.048 6.683 1.00 2.24 H new ATOM 539 N TYR A 38 -4.049 -2.110 5.550 1.00 23.10 N ATOM 540 CA TYR A 38 -4.846 -3.188 6.124 1.00 43.10 C ATOM 541 C TYR A 38 -3.990 -4.426 6.370 1.00 45.20 C ATOM 542 O TYR A 38 -4.236 -5.188 7.305 1.00 33.20 O ATOM 543 CB TYR A 38 -6.014 -3.536 5.199 1.00 32.40 C ATOM 544 CG TYR A 38 -7.275 -2.756 5.495 1.00 62.20 C ATOM 545 CD1 TYR A 38 -7.289 -1.369 5.424 1.00 15.30 C ATOM 546 CD2 TYR A 38 -8.451 -3.407 5.847 1.00 41.20 C ATOM 547 CE1 TYR A 38 -8.440 -0.653 5.694 1.00 51.20 C ATOM 548 CE2 TYR A 38 -9.605 -2.698 6.118 1.00 44.40 C ATOM 549 CZ TYR A 38 -9.595 -1.322 6.040 1.00 32.20 C ATOM 550 OH TYR A 38 -10.740 -0.612 6.310 1.00 72.30 O ATOM 0 H TYR A 38 -4.307 -1.857 4.596 1.00 23.10 H new ATOM 0 HA TYR A 38 -5.240 -2.845 7.081 1.00 43.10 H new ATOM 0 HB2 TYR A 38 -5.716 -3.351 4.167 1.00 32.40 H new ATOM 0 HB3 TYR A 38 -6.228 -4.601 5.283 1.00 32.40 H new ATOM 0 HD1 TYR A 38 -6.386 -0.842 5.154 1.00 15.30 H new ATOM 0 HD2 TYR A 38 -8.463 -4.485 5.910 1.00 41.20 H new ATOM 0 HE1 TYR A 38 -8.435 0.425 5.634 1.00 51.20 H new ATOM 0 HE2 TYR A 38 -10.511 -3.219 6.390 1.00 44.40 H new ATOM 0 HH TYR A 38 -11.464 -1.233 6.536 1.00 72.30 H new ATOM 560 N PHE A 39 -2.984 -4.621 5.524 1.00 2.24 N ATOM 561 CA PHE A 39 -2.091 -5.767 5.649 1.00 42.20 C ATOM 562 C PHE A 39 -1.254 -5.669 6.921 1.00 41.10 C ATOM 563 O PHE A 39 -1.204 -6.607 7.716 1.00 30.10 O ATOM 564 CB PHE A 39 -1.174 -5.861 4.428 1.00 20.20 C ATOM 565 CG PHE A 39 -1.732 -6.712 3.323 1.00 5.25 C ATOM 566 CD1 PHE A 39 -2.264 -7.962 3.595 1.00 50.50 C ATOM 567 CD2 PHE A 39 -1.724 -6.261 2.012 1.00 73.40 C ATOM 568 CE1 PHE A 39 -2.778 -8.747 2.580 1.00 63.40 C ATOM 569 CE2 PHE A 39 -2.237 -7.042 0.994 1.00 1.14 C ATOM 570 CZ PHE A 39 -2.764 -8.287 1.278 1.00 12.30 C ATOM 0 H PHE A 39 -2.767 -4.000 4.744 1.00 2.24 H new ATOM 0 HA PHE A 39 -2.702 -6.668 5.706 1.00 42.20 H new ATOM 0 HB2 PHE A 39 -0.989 -4.858 4.045 1.00 20.20 H new ATOM 0 HB3 PHE A 39 -0.211 -6.267 4.737 1.00 20.20 H new ATOM 0 HD1 PHE A 39 -2.277 -8.327 4.611 1.00 50.50 H new ATOM 0 HD2 PHE A 39 -1.312 -5.289 1.784 1.00 73.40 H new ATOM 0 HE1 PHE A 39 -3.190 -9.719 2.805 1.00 63.40 H new ATOM 0 HE2 PHE A 39 -2.226 -6.679 -0.023 1.00 1.14 H new ATOM 0 HZ PHE A 39 -3.164 -8.899 0.483 1.00 12.30 H new ATOM 580 N LEU A 40 -0.599 -4.527 7.106 1.00 34.30 N ATOM 581 CA LEU A 40 0.235 -4.306 8.281 1.00 22.10 C ATOM 582 C LEU A 40 -0.587 -4.420 9.561 1.00 15.20 C ATOM 583 O LEU A 40 -0.123 -4.968 10.561 1.00 23.20 O ATOM 584 CB LEU A 40 0.900 -2.930 8.209 1.00 4.01 C ATOM 585 CG LEU A 40 1.691 -2.660 6.928 1.00 21.10 C ATOM 586 CD1 LEU A 40 2.136 -1.206 6.872 1.00 1.51 C ATOM 587 CD2 LEU A 40 2.890 -3.591 6.836 1.00 52.20 C ATOM 0 H LEU A 40 -0.630 -3.741 6.457 1.00 34.30 H new ATOM 0 HA LEU A 40 1.008 -5.075 8.297 1.00 22.10 H new ATOM 0 HB2 LEU A 40 0.130 -2.165 8.310 1.00 4.01 H new ATOM 0 HB3 LEU A 40 1.571 -2.822 9.062 1.00 4.01 H new ATOM 0 HG LEU A 40 1.041 -2.852 6.074 1.00 21.10 H new ATOM 0 HD11 LEU A 40 2.697 -1.032 5.954 1.00 1.51 H new ATOM 0 HD12 LEU A 40 1.261 -0.557 6.891 1.00 1.51 H new ATOM 0 HD13 LEU A 40 2.769 -0.986 7.731 1.00 1.51 H new ATOM 0 HD21 LEU A 40 3.441 -3.385 5.918 1.00 52.20 H new ATOM 0 HD22 LEU A 40 3.542 -3.431 7.695 1.00 52.20 H new ATOM 0 HD23 LEU A 40 2.547 -4.626 6.829 1.00 52.20 H new ATOM 599 N HIS A 41 -1.808 -3.898 9.522 1.00 62.20 N ATOM 600 CA HIS A 41 -2.695 -3.942 10.679 1.00 13.20 C ATOM 601 C HIS A 41 -3.035 -5.382 11.050 1.00 42.00 C ATOM 602 O HIS A 41 -3.248 -5.698 12.221 1.00 40.10 O ATOM 603 CB HIS A 41 -3.978 -3.160 10.394 1.00 4.24 C ATOM 604 CG HIS A 41 -3.864 -1.696 10.686 1.00 25.40 C ATOM 605 ND1 HIS A 41 -3.664 -1.194 11.955 1.00 74.50 N ATOM 606 CD2 HIS A 41 -3.921 -0.621 9.863 1.00 10.40 C ATOM 607 CE1 HIS A 41 -3.605 0.125 11.901 1.00 13.20 C ATOM 608 NE2 HIS A 41 -3.757 0.497 10.643 1.00 61.50 N ATOM 0 H HIS A 41 -2.206 -3.440 8.702 1.00 62.20 H new ATOM 0 HA HIS A 41 -2.177 -3.482 11.520 1.00 13.20 H new ATOM 0 HB2 HIS A 41 -4.250 -3.293 9.347 1.00 4.24 H new ATOM 0 HB3 HIS A 41 -4.789 -3.579 10.990 1.00 4.24 H new ATOM 0 HD2 HIS A 41 -4.068 -0.640 8.793 1.00 10.40 H new ATOM 0 HE1 HIS A 41 -3.458 0.786 12.742 1.00 13.20 H new ATOM 0 HE2 HIS A 41 -3.753 1.459 10.305 1.00 61.50 H new ATOM 617 N ALA A 42 -3.084 -6.251 10.046 1.00 74.20 N ATOM 618 CA ALA A 42 -3.398 -7.657 10.267 1.00 0.11 C ATOM 619 C ALA A 42 -2.234 -8.381 10.936 1.00 25.50 C ATOM 620 O ALA A 42 -2.434 -9.327 11.697 1.00 51.20 O ATOM 621 CB ALA A 42 -3.754 -8.331 8.950 1.00 3.41 C ATOM 0 H ALA A 42 -2.910 -6.006 9.071 1.00 74.20 H new ATOM 0 HA ALA A 42 -4.258 -7.711 10.935 1.00 0.11 H new ATOM 0 HB1 ALA A 42 -3.986 -9.381 9.130 1.00 3.41 H new ATOM 0 HB2 ALA A 42 -4.621 -7.837 8.511 1.00 3.41 H new ATOM 0 HB3 ALA A 42 -2.910 -8.258 8.264 1.00 3.41 H new ATOM 627 N ILE A 43 -1.018 -7.930 10.646 1.00 70.10 N ATOM 628 CA ILE A 43 0.178 -8.535 11.220 1.00 12.30 C ATOM 629 C ILE A 43 0.359 -8.119 12.676 1.00 61.20 C ATOM 630 O ILE A 43 0.531 -8.962 13.556 1.00 74.20 O ATOM 631 CB ILE A 43 1.440 -8.147 10.426 1.00 21.10 C ATOM 632 CG1 ILE A 43 1.222 -8.383 8.931 1.00 33.10 C ATOM 633 CG2 ILE A 43 2.642 -8.937 10.923 1.00 44.30 C ATOM 634 CD1 ILE A 43 2.213 -7.650 8.053 1.00 21.40 C ATOM 0 H ILE A 43 -0.835 -7.148 10.017 1.00 70.10 H new ATOM 0 HA ILE A 43 0.043 -9.615 11.167 1.00 12.30 H new ATOM 0 HB ILE A 43 1.637 -7.086 10.582 1.00 21.10 H new ATOM 0 HG12 ILE A 43 1.289 -9.452 8.727 1.00 33.10 H new ATOM 0 HG13 ILE A 43 0.212 -8.070 8.665 1.00 33.10 H new ATOM 0 HG21 ILE A 43 3.526 -8.652 10.352 1.00 44.30 H new ATOM 0 HG22 ILE A 43 2.807 -8.723 11.979 1.00 44.30 H new ATOM 0 HG23 ILE A 43 2.455 -10.003 10.794 1.00 44.30 H new ATOM 0 HD11 ILE A 43 1.999 -7.863 7.006 1.00 21.40 H new ATOM 0 HD12 ILE A 43 2.131 -6.577 8.229 1.00 21.40 H new ATOM 0 HD13 ILE A 43 3.224 -7.981 8.291 1.00 21.40 H new ATOM 646 N LYS A 44 0.320 -6.814 12.923 1.00 22.40 N ATOM 647 CA LYS A 44 0.480 -6.286 14.273 1.00 31.10 C ATOM 648 C LYS A 44 -0.612 -6.816 15.197 1.00 24.50 C ATOM 649 O LYS A 44 -0.391 -6.999 16.394 1.00 11.20 O ATOM 650 CB LYS A 44 0.448 -4.757 14.253 1.00 35.30 C ATOM 651 CG LYS A 44 -0.778 -4.182 13.562 1.00 62.20 C ATOM 652 CD LYS A 44 -1.242 -2.897 14.229 1.00 11.40 C ATOM 653 CE LYS A 44 -0.372 -1.717 13.828 1.00 34.20 C ATOM 654 NZ LYS A 44 0.722 -1.474 14.808 1.00 10.40 N ATOM 0 H LYS A 44 0.179 -6.102 12.206 1.00 22.40 H new ATOM 0 HA LYS A 44 1.446 -6.617 14.653 1.00 31.10 H new ATOM 0 HB2 LYS A 44 0.483 -4.388 15.278 1.00 35.30 H new ATOM 0 HB3 LYS A 44 1.343 -4.390 13.751 1.00 35.30 H new ATOM 0 HG2 LYS A 44 -0.549 -3.987 12.514 1.00 62.20 H new ATOM 0 HG3 LYS A 44 -1.585 -4.915 13.581 1.00 62.20 H new ATOM 0 HD2 LYS A 44 -2.278 -2.697 13.955 1.00 11.40 H new ATOM 0 HD3 LYS A 44 -1.217 -3.018 15.312 1.00 11.40 H new ATOM 0 HE2 LYS A 44 0.057 -1.901 12.843 1.00 34.20 H new ATOM 0 HE3 LYS A 44 -0.990 -0.823 13.745 1.00 34.20 H new ATOM 0 HZ1 LYS A 44 1.250 -0.621 14.534 1.00 10.40 H new ATOM 0 HZ2 LYS A 44 0.316 -1.340 15.756 1.00 10.40 H new ATOM 0 HZ3 LYS A 44 1.366 -2.291 14.819 1.00 10.40 H new ATOM 668 N TYR A 45 -1.790 -7.060 14.634 1.00 72.30 N ATOM 669 CA TYR A 45 -2.917 -7.570 15.407 1.00 5.12 C ATOM 670 C TYR A 45 -2.787 -9.073 15.632 1.00 43.50 C ATOM 671 O TYR A 45 -3.060 -9.573 16.723 1.00 15.00 O ATOM 672 CB TYR A 45 -4.234 -7.261 14.693 1.00 2.51 C ATOM 673 CG TYR A 45 -4.838 -5.931 15.083 1.00 21.30 C ATOM 674 CD1 TYR A 45 -4.045 -4.797 15.210 1.00 70.10 C ATOM 675 CD2 TYR A 45 -6.200 -5.809 15.323 1.00 52.20 C ATOM 676 CE1 TYR A 45 -4.593 -3.579 15.567 1.00 43.00 C ATOM 677 CE2 TYR A 45 -6.756 -4.594 15.679 1.00 60.30 C ATOM 678 CZ TYR A 45 -5.948 -3.483 15.800 1.00 44.10 C ATOM 679 OH TYR A 45 -6.498 -2.273 16.154 1.00 23.30 O ATOM 0 H TYR A 45 -1.990 -6.913 13.645 1.00 72.30 H new ATOM 0 HA TYR A 45 -2.913 -7.074 16.378 1.00 5.12 H new ATOM 0 HB2 TYR A 45 -4.065 -7.272 13.616 1.00 2.51 H new ATOM 0 HB3 TYR A 45 -4.950 -8.053 14.911 1.00 2.51 H new ATOM 0 HD1 TYR A 45 -2.983 -4.868 15.027 1.00 70.10 H new ATOM 0 HD2 TYR A 45 -6.836 -6.677 15.230 1.00 52.20 H new ATOM 0 HE1 TYR A 45 -3.963 -2.707 15.663 1.00 43.00 H new ATOM 0 HE2 TYR A 45 -7.818 -4.516 15.861 1.00 60.30 H new ATOM 0 HH TYR A 45 -7.464 -2.377 16.281 1.00 23.30 H new ATOM 689 N GLU A 46 -2.368 -9.788 14.593 1.00 72.20 N ATOM 690 CA GLU A 46 -2.202 -11.230 14.677 1.00 34.20 C ATOM 691 C GLU A 46 -1.211 -11.730 13.629 1.00 1.02 C ATOM 692 O GLU A 46 -0.882 -11.010 12.684 1.00 20.30 O ATOM 693 CB GLU A 46 -3.550 -11.930 14.494 1.00 51.10 C ATOM 694 CG GLU A 46 -3.704 -13.180 15.340 1.00 14.20 C ATOM 695 CD GLU A 46 -4.561 -12.950 16.569 1.00 20.10 C ATOM 696 OE1 GLU A 46 -4.032 -12.440 17.574 1.00 21.40 O ATOM 697 OE2 GLU A 46 -5.762 -13.290 16.527 1.00 4.35 O ATOM 0 H GLU A 46 -2.138 -9.389 13.683 1.00 72.20 H new ATOM 0 HA GLU A 46 -1.806 -11.466 15.665 1.00 34.20 H new ATOM 0 HB2 GLU A 46 -4.349 -11.232 14.743 1.00 51.10 H new ATOM 0 HB3 GLU A 46 -3.673 -12.194 13.444 1.00 51.10 H new ATOM 0 HG2 GLU A 46 -4.147 -13.971 14.735 1.00 14.20 H new ATOM 0 HG3 GLU A 46 -2.719 -13.529 15.649 1.00 14.20 H new ATOM 704 N ALA A 47 -0.739 -12.960 13.804 1.00 11.10 N ATOM 705 CA ALA A 47 0.214 -13.550 12.873 1.00 21.50 C ATOM 706 C ALA A 47 0.323 -15.050 13.083 1.00 42.00 C ATOM 707 O ALA A 47 0.486 -15.520 14.209 1.00 61.20 O ATOM 708 CB ALA A 47 1.578 -12.890 13.028 1.00 11.30 C ATOM 0 H ALA A 47 -1.001 -13.566 14.581 1.00 11.10 H new ATOM 0 HA ALA A 47 -0.147 -13.377 11.859 1.00 21.50 H new ATOM 0 HB1 ALA A 47 2.281 -13.339 12.327 1.00 11.30 H new ATOM 0 HB2 ALA A 47 1.492 -11.823 12.822 1.00 11.30 H new ATOM 0 HB3 ALA A 47 1.938 -13.034 14.046 1.00 11.30 H new ATOM 714 N HIS A 48 0.232 -15.810 11.991 1.00 33.30 N ATOM 715 CA HIS A 48 0.320 -17.260 12.055 1.00 25.10 C ATOM 716 C HIS A 48 1.691 -17.700 12.557 1.00 43.30 C ATOM 717 O HIS A 48 1.800 -18.390 13.569 1.00 74.00 O ATOM 718 CB HIS A 48 0.048 -17.870 10.679 1.00 30.40 C ATOM 719 CG HIS A 48 -1.408 -17.990 10.353 1.00 44.50 C ATOM 720 ND1 HIS A 48 -1.922 -17.740 9.098 1.00 1.24 N ATOM 721 CD2 HIS A 48 -2.465 -18.330 11.128 1.00 34.40 C ATOM 722 CE1 HIS A 48 -3.231 -17.920 9.115 1.00 4.32 C ATOM 723 NE2 HIS A 48 -3.584 -18.280 10.334 1.00 24.30 N ATOM 0 H HIS A 48 0.097 -15.439 11.051 1.00 33.30 H new ATOM 0 HA HIS A 48 -0.435 -17.614 12.757 1.00 25.10 H new ATOM 0 HB2 HIS A 48 0.533 -17.259 9.918 1.00 30.40 H new ATOM 0 HB3 HIS A 48 0.505 -18.859 10.633 1.00 30.40 H new ATOM 0 HD2 HIS A 48 -2.434 -18.592 12.175 1.00 34.40 H new ATOM 0 HE1 HIS A 48 -3.898 -17.794 8.275 1.00 4.32 H new ATOM 0 HE2 HIS A 48 -4.535 -18.488 10.638 1.00 24.30 H new ATOM 732 N SER A 49 2.735 -17.290 11.843 1.00 61.20 N ATOM 733 CA SER A 49 4.100 -17.650 12.216 1.00 74.40 C ATOM 734 C SER A 49 5.097 -16.640 11.643 1.00 63.10 C ATOM 735 O SER A 49 4.712 -15.680 10.985 1.00 32.40 O ATOM 736 CB SER A 49 4.437 -19.060 11.727 1.00 43.20 C ATOM 737 OG SER A 49 3.902 -20.040 12.596 1.00 62.10 O ATOM 0 H SER A 49 2.663 -16.711 11.006 1.00 61.20 H new ATOM 0 HA SER A 49 4.172 -17.633 13.303 1.00 74.40 H new ATOM 0 HB2 SER A 49 4.040 -19.205 10.722 1.00 43.20 H new ATOM 0 HB3 SER A 49 5.519 -19.178 11.663 1.00 43.20 H new ATOM 0 HG SER A 49 3.208 -19.636 13.157 1.00 62.10 H new ATOM 743 N ASP A 50 6.380 -16.880 11.895 1.00 44.10 N ATOM 744 CA ASP A 50 7.433 -16.000 11.404 1.00 71.20 C ATOM 745 C ASP A 50 7.550 -16.090 9.886 1.00 5.14 C ATOM 746 O ASP A 50 7.835 -15.100 9.217 1.00 53.50 O ATOM 747 CB ASP A 50 8.771 -16.360 12.052 1.00 70.10 C ATOM 748 CG ASP A 50 8.855 -15.900 13.495 1.00 22.30 C ATOM 749 OD1 ASP A 50 7.991 -16.310 14.299 1.00 52.30 O ATOM 750 OD2 ASP A 50 9.786 -15.140 13.822 1.00 22.40 O ATOM 0 H ASP A 50 6.715 -17.677 12.437 1.00 44.10 H new ATOM 0 HA ASP A 50 7.172 -14.976 11.672 1.00 71.20 H new ATOM 0 HB2 ASP A 50 8.914 -17.440 12.008 1.00 70.10 H new ATOM 0 HB3 ASP A 50 9.582 -15.908 11.481 1.00 70.10 H new ATOM 755 N LYS A 51 7.329 -17.280 9.348 1.00 33.00 N ATOM 756 CA LYS A 51 7.410 -17.500 7.908 1.00 24.30 C ATOM 757 C LYS A 51 6.362 -16.670 7.173 1.00 60.20 C ATOM 758 O LYS A 51 6.661 -16.020 6.174 1.00 42.20 O ATOM 759 CB LYS A 51 7.225 -18.980 7.583 1.00 71.10 C ATOM 760 CG LYS A 51 7.881 -19.410 6.280 1.00 50.10 C ATOM 761 CD LYS A 51 8.073 -20.920 6.217 1.00 3.43 C ATOM 762 CE LYS A 51 9.443 -21.320 6.734 1.00 32.10 C ATOM 763 NZ LYS A 51 9.393 -21.760 8.156 1.00 1.42 N ATOM 0 H LYS A 51 7.091 -18.112 9.888 1.00 33.00 H new ATOM 0 HA LYS A 51 8.399 -17.186 7.573 1.00 24.30 H new ATOM 0 HB2 LYS A 51 7.635 -19.575 8.399 1.00 71.10 H new ATOM 0 HB3 LYS A 51 6.159 -19.200 7.532 1.00 71.10 H new ATOM 0 HG2 LYS A 51 7.267 -19.086 5.439 1.00 50.10 H new ATOM 0 HG3 LYS A 51 8.847 -18.916 6.179 1.00 50.10 H new ATOM 0 HD2 LYS A 51 7.300 -21.413 6.807 1.00 3.43 H new ATOM 0 HD3 LYS A 51 7.955 -21.262 5.189 1.00 3.43 H new ATOM 0 HE2 LYS A 51 9.842 -22.126 6.118 1.00 32.10 H new ATOM 0 HE3 LYS A 51 10.127 -20.477 6.639 1.00 32.10 H new ATOM 0 HZ1 LYS A 51 10.274 -22.258 8.397 1.00 1.42 H new ATOM 0 HZ2 LYS A 51 9.285 -20.930 8.773 1.00 1.42 H new ATOM 0 HZ3 LYS A 51 8.585 -22.400 8.293 1.00 1.42 H new ATOM 777 N ALA A 52 5.131 -16.710 7.674 1.00 12.30 N ATOM 778 CA ALA A 52 4.038 -15.960 7.065 1.00 1.13 C ATOM 779 C ALA A 52 4.274 -14.460 7.172 1.00 73.40 C ATOM 780 O ALA A 52 4.031 -13.710 6.224 1.00 35.20 O ATOM 781 CB ALA A 52 2.715 -16.330 7.716 1.00 33.20 C ATOM 0 H ALA A 52 4.866 -17.252 8.497 1.00 12.30 H new ATOM 0 HA ALA A 52 3.999 -16.223 6.008 1.00 1.13 H new ATOM 0 HB1 ALA A 52 1.909 -15.762 7.251 1.00 33.20 H new ATOM 0 HB2 ALA A 52 2.530 -17.396 7.585 1.00 33.20 H new ATOM 0 HB3 ALA A 52 2.755 -16.097 8.780 1.00 33.20 H new ATOM 787 N LYS A 53 4.750 -14.020 8.334 1.00 51.10 N ATOM 788 CA LYS A 53 5.019 -12.600 8.565 1.00 30.50 C ATOM 789 C LYS A 53 6.066 -12.080 7.586 1.00 43.40 C ATOM 790 O LYS A 53 6.019 -10.920 7.169 1.00 51.40 O ATOM 791 CB LYS A 53 5.492 -12.380 10.002 1.00 2.23 C ATOM 792 CG LYS A 53 4.358 -12.160 10.989 1.00 14.50 C ATOM 793 CD LYS A 53 4.779 -11.240 12.127 1.00 45.30 C ATOM 794 CE LYS A 53 5.299 -12.040 13.315 1.00 33.20 C ATOM 795 NZ LYS A 53 6.783 -12.160 13.295 1.00 10.10 N ATOM 0 H LYS A 53 4.958 -14.623 9.130 1.00 51.10 H new ATOM 0 HA LYS A 53 4.093 -12.047 8.405 1.00 30.50 H new ATOM 0 HB2 LYS A 53 6.076 -13.244 10.319 1.00 2.23 H new ATOM 0 HB3 LYS A 53 6.158 -11.517 10.028 1.00 2.23 H new ATOM 0 HG2 LYS A 53 3.501 -11.730 10.470 1.00 14.50 H new ATOM 0 HG3 LYS A 53 4.037 -13.119 11.395 1.00 14.50 H new ATOM 0 HD2 LYS A 53 5.553 -10.556 11.779 1.00 45.30 H new ATOM 0 HD3 LYS A 53 3.931 -10.630 12.438 1.00 45.30 H new ATOM 0 HE2 LYS A 53 4.986 -11.559 14.242 1.00 33.20 H new ATOM 0 HE3 LYS A 53 4.854 -13.035 13.306 1.00 33.20 H new ATOM 0 HZ1 LYS A 53 7.098 -12.711 14.119 1.00 10.10 H new ATOM 0 HZ2 LYS A 53 7.081 -12.641 12.423 1.00 10.10 H new ATOM 0 HZ3 LYS A 53 7.208 -11.212 13.329 1.00 10.10 H new ATOM 809 N GLU A 54 7.011 -12.940 7.223 1.00 3.52 N ATOM 810 CA GLU A 54 8.070 -12.570 6.293 1.00 12.50 C ATOM 811 C GLU A 54 7.534 -12.470 4.869 1.00 34.20 C ATOM 812 O GLU A 54 7.860 -11.540 4.136 1.00 2.53 O ATOM 813 CB GLU A 54 9.211 -13.590 6.351 1.00 32.50 C ATOM 814 CG GLU A 54 10.587 -12.970 6.164 1.00 62.40 C ATOM 815 CD GLU A 54 11.505 -13.830 5.323 1.00 54.20 C ATOM 816 OE1 GLU A 54 12.136 -14.750 5.887 1.00 35.40 O ATOM 817 OE2 GLU A 54 11.592 -13.590 4.101 1.00 23.10 O ATOM 0 H GLU A 54 7.065 -13.901 7.560 1.00 3.52 H new ATOM 0 HA GLU A 54 8.451 -11.592 6.588 1.00 12.50 H new ATOM 0 HB2 GLU A 54 9.180 -14.104 7.312 1.00 32.50 H new ATOM 0 HB3 GLU A 54 9.053 -14.345 5.580 1.00 32.50 H new ATOM 0 HG2 GLU A 54 10.480 -11.992 5.694 1.00 62.40 H new ATOM 0 HG3 GLU A 54 11.043 -12.806 7.140 1.00 62.40 H new ATOM 824 N SER A 55 6.709 -13.440 4.484 1.00 73.20 N ATOM 825 CA SER A 55 6.127 -13.460 3.147 1.00 32.20 C ATOM 826 C SER A 55 5.272 -12.220 2.906 1.00 2.23 C ATOM 827 O SER A 55 5.402 -11.550 1.879 1.00 23.50 O ATOM 828 CB SER A 55 5.282 -14.720 2.956 1.00 25.40 C ATOM 829 OG SER A 55 4.139 -14.700 3.794 1.00 20.40 O ATOM 0 H SER A 55 6.429 -14.221 5.078 1.00 73.20 H new ATOM 0 HA SER A 55 6.942 -13.463 2.423 1.00 32.20 H new ATOM 0 HB2 SER A 55 4.972 -14.799 1.914 1.00 25.40 H new ATOM 0 HB3 SER A 55 5.883 -15.602 3.177 1.00 25.40 H new ATOM 0 HG SER A 55 4.401 -14.426 4.698 1.00 20.40 H new ATOM 835 N ILE A 56 4.397 -11.910 3.860 1.00 72.40 N ATOM 836 CA ILE A 56 3.521 -10.750 3.751 1.00 52.50 C ATOM 837 C ILE A 56 4.328 -9.465 3.711 1.00 70.00 C ATOM 838 O ILE A 56 3.973 -8.522 3.004 1.00 41.00 O ATOM 839 CB ILE A 56 2.524 -10.690 4.925 1.00 62.50 C ATOM 840 CG1 ILE A 56 1.801 -12.030 5.085 1.00 60.00 C ATOM 841 CG2 ILE A 56 1.523 -9.568 4.709 1.00 30.00 C ATOM 842 CD1 ILE A 56 1.613 -12.440 6.528 1.00 51.30 C ATOM 0 H ILE A 56 4.277 -12.448 4.718 1.00 72.40 H new ATOM 0 HA ILE A 56 2.963 -10.853 2.820 1.00 52.50 H new ATOM 0 HB ILE A 56 3.079 -10.489 5.841 1.00 62.50 H new ATOM 0 HG12 ILE A 56 0.826 -11.969 4.602 1.00 60.00 H new ATOM 0 HG13 ILE A 56 2.366 -12.804 4.565 1.00 60.00 H new ATOM 0 HG21 ILE A 56 0.825 -9.537 5.546 1.00 30.00 H new ATOM 0 HG22 ILE A 56 2.051 -8.617 4.642 1.00 30.00 H new ATOM 0 HG23 ILE A 56 0.973 -9.744 3.784 1.00 30.00 H new ATOM 0 HD11 ILE A 56 1.094 -13.398 6.569 1.00 51.30 H new ATOM 0 HD12 ILE A 56 2.586 -12.533 7.010 1.00 51.30 H new ATOM 0 HD13 ILE A 56 1.022 -11.685 7.047 1.00 51.30 H new ATOM 854 N ARG A 57 5.415 -9.427 4.475 1.00 33.10 N ATOM 855 CA ARG A 57 6.272 -8.248 4.527 1.00 44.30 C ATOM 856 C ARG A 57 6.844 -7.931 3.149 1.00 31.40 C ATOM 857 O ARG A 57 6.726 -6.807 2.662 1.00 74.00 O ATOM 858 CB ARG A 57 7.409 -8.462 5.527 1.00 51.00 C ATOM 859 CG ARG A 57 8.332 -7.263 5.664 1.00 2.11 C ATOM 860 CD ARG A 57 9.567 -7.408 4.789 1.00 20.30 C ATOM 861 NE ARG A 57 10.323 -6.161 4.698 1.00 14.20 N ATOM 862 CZ ARG A 57 11.559 -6.077 4.213 1.00 64.00 C ATOM 863 NH1 ARG A 57 12.183 -7.164 3.775 1.00 52.30 N ATOM 864 NH2 ARG A 57 12.175 -4.904 4.165 1.00 4.43 N ATOM 0 H ARG A 57 5.723 -10.199 5.066 1.00 33.10 H new ATOM 0 HA ARG A 57 5.666 -7.403 4.853 1.00 44.30 H new ATOM 0 HB2 ARG A 57 6.984 -8.696 6.503 1.00 51.00 H new ATOM 0 HB3 ARG A 57 7.995 -9.328 5.218 1.00 51.00 H new ATOM 0 HG2 ARG A 57 7.795 -6.355 5.389 1.00 2.11 H new ATOM 0 HG3 ARG A 57 8.634 -7.152 6.706 1.00 2.11 H new ATOM 0 HD2 ARG A 57 10.208 -8.192 5.193 1.00 20.30 H new ATOM 0 HD3 ARG A 57 9.268 -7.725 3.790 1.00 20.30 H new ATOM 0 HE ARG A 57 9.877 -5.304 5.026 1.00 14.20 H new ATOM 0 HH11 ARG A 57 11.715 -8.070 3.809 1.00 52.30 H new ATOM 0 HH12 ARG A 57 13.131 -7.094 3.404 1.00 52.30 H new ATOM 0 HH21 ARG A 57 11.701 -4.065 4.500 1.00 4.43 H new ATOM 0 HH22 ARG A 57 13.123 -4.840 3.793 1.00 4.43 H new ATOM 878 N ALA A 58 7.461 -8.929 2.525 1.00 52.10 N ATOM 879 CA ALA A 58 8.049 -8.756 1.202 1.00 71.20 C ATOM 880 C ALA A 58 7.006 -8.277 0.199 1.00 15.30 C ATOM 881 O ALA A 58 7.323 -7.547 -0.741 1.00 31.10 O ATOM 882 CB ALA A 58 8.680 -10.050 0.731 1.00 51.50 C ATOM 0 H ALA A 58 7.567 -9.866 2.914 1.00 52.10 H new ATOM 0 HA ALA A 58 8.825 -7.994 1.273 1.00 71.20 H new ATOM 0 HB1 ALA A 58 9.114 -9.904 -0.258 1.00 51.50 H new ATOM 0 HB2 ALA A 58 9.461 -10.349 1.430 1.00 51.50 H new ATOM 0 HB3 ALA A 58 7.919 -10.829 0.682 1.00 51.50 H new ATOM 888 N LYS A 59 5.761 -8.689 0.408 1.00 64.50 N ATOM 889 CA LYS A 59 4.668 -8.300 -0.475 1.00 72.50 C ATOM 890 C LYS A 59 4.226 -6.869 -0.190 1.00 3.24 C ATOM 891 O LYS A 59 3.781 -6.155 -1.088 1.00 71.40 O ATOM 892 CB LYS A 59 3.485 -9.255 -0.310 1.00 10.30 C ATOM 893 CG LYS A 59 3.635 -10.550 -1.091 1.00 21.30 C ATOM 894 CD LYS A 59 2.548 -11.540 -0.727 1.00 23.40 C ATOM 895 CE LYS A 59 2.291 -12.520 -1.860 1.00 15.30 C ATOM 896 NZ LYS A 59 1.205 -12.050 -2.765 1.00 25.40 N ATOM 0 H LYS A 59 5.483 -9.293 1.182 1.00 64.50 H new ATOM 0 HA LYS A 59 5.026 -8.354 -1.503 1.00 72.50 H new ATOM 0 HB2 LYS A 59 3.363 -9.490 0.747 1.00 10.30 H new ATOM 0 HB3 LYS A 59 2.574 -8.750 -0.631 1.00 10.30 H new ATOM 0 HG2 LYS A 59 3.595 -10.340 -2.160 1.00 21.30 H new ATOM 0 HG3 LYS A 59 4.612 -10.988 -0.888 1.00 21.30 H new ATOM 0 HD2 LYS A 59 2.837 -12.087 0.171 1.00 23.40 H new ATOM 0 HD3 LYS A 59 1.629 -11.004 -0.492 1.00 23.40 H new ATOM 0 HE2 LYS A 59 3.207 -12.660 -2.434 1.00 15.30 H new ATOM 0 HE3 LYS A 59 2.023 -13.492 -1.446 1.00 15.30 H new ATOM 0 HZ1 LYS A 59 1.060 -12.746 -3.524 1.00 25.40 H new ATOM 0 HZ2 LYS A 59 0.324 -11.941 -2.223 1.00 25.40 H new ATOM 0 HZ3 LYS A 59 1.471 -11.135 -3.181 1.00 25.40 H new ATOM 910 N CYS A 60 4.355 -6.455 1.068 1.00 21.40 N ATOM 911 CA CYS A 60 3.970 -5.108 1.471 1.00 32.30 C ATOM 912 C CYS A 60 5.035 -4.096 1.063 1.00 12.10 C ATOM 913 O CYS A 60 4.722 -2.958 0.710 1.00 32.20 O ATOM 914 CB CYS A 60 3.748 -5.050 2.984 1.00 62.10 C ATOM 915 SG CYS A 60 2.410 -6.113 3.574 1.00 1.22 S ATOM 0 H CYS A 60 4.723 -7.033 1.824 1.00 21.40 H new ATOM 0 HA CYS A 60 3.039 -4.855 0.964 1.00 32.30 H new ATOM 0 HB2 CYS A 60 4.672 -5.334 3.487 1.00 62.10 H new ATOM 0 HB3 CYS A 60 3.533 -4.020 3.270 1.00 62.10 H new ATOM 0 HG CYS A 60 2.642 -7.341 3.217 1.00 1.22 H new ATOM 921 N VAL A 61 6.294 -4.518 1.112 1.00 34.20 N ATOM 922 CA VAL A 61 7.406 -3.649 0.746 1.00 22.50 C ATOM 923 C VAL A 61 7.391 -3.341 -0.748 1.00 52.20 C ATOM 924 O VAL A 61 7.658 -2.214 -1.163 1.00 12.40 O ATOM 925 CB VAL A 61 8.761 -4.283 1.115 1.00 21.20 C ATOM 926 CG1 VAL A 61 9.897 -3.301 0.867 1.00 74.40 C ATOM 927 CG2 VAL A 61 8.758 -4.750 2.563 1.00 61.20 C ATOM 0 H VAL A 61 6.570 -5.456 1.402 1.00 34.20 H new ATOM 0 HA VAL A 61 7.283 -2.723 1.308 1.00 22.50 H new ATOM 0 HB VAL A 61 8.918 -5.153 0.477 1.00 21.20 H new ATOM 0 HG11 VAL A 61 10.846 -3.767 1.134 1.00 74.40 H new ATOM 0 HG12 VAL A 61 9.913 -3.022 -0.187 1.00 74.40 H new ATOM 0 HG13 VAL A 61 9.747 -2.410 1.476 1.00 74.40 H new ATOM 0 HG21 VAL A 61 9.724 -5.195 2.804 1.00 61.20 H new ATOM 0 HG22 VAL A 61 8.577 -3.899 3.219 1.00 61.20 H new ATOM 0 HG23 VAL A 61 7.972 -5.491 2.705 1.00 61.20 H new ATOM 937 N GLN A 62 7.075 -4.352 -1.551 1.00 23.30 N ATOM 938 CA GLN A 62 7.023 -4.191 -2.999 1.00 34.10 C ATOM 939 C GLN A 62 5.802 -3.375 -3.411 1.00 74.00 C ATOM 940 O GLN A 62 5.837 -2.642 -4.400 1.00 45.30 O ATOM 941 CB GLN A 62 6.994 -5.558 -3.685 1.00 62.20 C ATOM 942 CG GLN A 62 8.372 -6.088 -4.044 1.00 43.00 C ATOM 943 CD GLN A 62 8.348 -7.548 -4.450 1.00 21.10 C ATOM 944 OE1 GLN A 62 9.217 -8.328 -4.059 1.00 13.30 O ATOM 945 NE2 GLN A 62 7.349 -7.926 -5.239 1.00 24.20 N ATOM 0 H GLN A 62 6.851 -5.292 -1.223 1.00 23.30 H new ATOM 0 HA GLN A 62 7.919 -3.655 -3.313 1.00 34.10 H new ATOM 0 HB2 GLN A 62 6.498 -6.274 -3.029 1.00 62.20 H new ATOM 0 HB3 GLN A 62 6.393 -5.487 -4.592 1.00 62.20 H new ATOM 0 HG2 GLN A 62 8.784 -5.495 -4.860 1.00 43.00 H new ATOM 0 HG3 GLN A 62 9.039 -5.963 -3.191 1.00 43.00 H new ATOM 0 HE21 GLN A 62 6.651 -7.246 -5.539 1.00 24.20 H new ATOM 0 HE22 GLN A 62 7.280 -8.897 -5.545 1.00 24.20 H new ATOM 954 N TYR A 63 4.723 -3.507 -2.647 1.00 42.10 N ATOM 955 CA TYR A 63 3.490 -2.782 -2.932 1.00 21.20 C ATOM 956 C TYR A 63 3.655 -1.294 -2.640 1.00 32.40 C ATOM 957 O TYR A 63 3.081 -0.449 -3.327 1.00 65.30 O ATOM 958 CB TYR A 63 2.335 -3.352 -2.107 1.00 30.10 C ATOM 959 CG TYR A 63 1.607 -4.489 -2.787 1.00 54.30 C ATOM 960 CD1 TYR A 63 1.249 -4.406 -4.127 1.00 70.10 C ATOM 961 CD2 TYR A 63 1.277 -5.644 -2.090 1.00 31.20 C ATOM 962 CE1 TYR A 63 0.582 -5.443 -4.752 1.00 14.00 C ATOM 963 CE2 TYR A 63 0.611 -6.685 -2.708 1.00 31.30 C ATOM 964 CZ TYR A 63 0.266 -6.580 -4.039 1.00 65.40 C ATOM 965 OH TYR A 63 -0.397 -7.614 -4.658 1.00 53.10 O ATOM 0 H TYR A 63 4.677 -4.110 -1.825 1.00 42.10 H new ATOM 0 HA TYR A 63 3.263 -2.903 -3.991 1.00 21.20 H new ATOM 0 HB2 TYR A 63 2.721 -3.701 -1.149 1.00 30.10 H new ATOM 0 HB3 TYR A 63 1.624 -2.554 -1.893 1.00 30.10 H new ATOM 0 HD1 TYR A 63 1.496 -3.517 -4.689 1.00 70.10 H new ATOM 0 HD2 TYR A 63 1.545 -5.730 -1.047 1.00 31.20 H new ATOM 0 HE1 TYR A 63 0.310 -5.363 -5.794 1.00 14.00 H new ATOM 0 HE2 TYR A 63 0.362 -7.576 -2.151 1.00 31.30 H new ATOM 0 HH TYR A 63 -0.542 -8.340 -4.016 1.00 53.10 H new ATOM 975 N LEU A 64 4.442 -0.981 -1.615 1.00 41.30 N ATOM 976 CA LEU A 64 4.682 0.405 -1.232 1.00 21.20 C ATOM 977 C LEU A 64 5.530 1.119 -2.280 1.00 14.40 C ATOM 978 O LEU A 64 5.296 2.287 -2.591 1.00 72.30 O ATOM 979 CB LEU A 64 5.374 0.466 0.131 1.00 30.10 C ATOM 980 CG LEU A 64 4.432 0.497 1.335 1.00 54.20 C ATOM 981 CD1 LEU A 64 5.186 0.159 2.612 1.00 45.40 C ATOM 982 CD2 LEU A 64 3.763 1.859 1.452 1.00 3.43 C ATOM 0 H LEU A 64 4.924 -1.668 -1.036 1.00 41.30 H new ATOM 0 HA LEU A 64 3.719 0.911 -1.165 1.00 21.20 H new ATOM 0 HB2 LEU A 64 6.032 -0.398 0.226 1.00 30.10 H new ATOM 0 HB3 LEU A 64 6.006 1.353 0.161 1.00 30.10 H new ATOM 0 HG LEU A 64 3.657 -0.255 1.186 1.00 54.20 H new ATOM 0 HD11 LEU A 64 4.499 0.186 3.458 1.00 45.40 H new ATOM 0 HD12 LEU A 64 5.617 -0.838 2.527 1.00 45.40 H new ATOM 0 HD13 LEU A 64 5.982 0.887 2.768 1.00 45.40 H new ATOM 0 HD21 LEU A 64 3.096 1.864 2.314 1.00 3.43 H new ATOM 0 HD22 LEU A 64 4.524 2.629 1.578 1.00 3.43 H new ATOM 0 HD23 LEU A 64 3.189 2.061 0.548 1.00 3.43 H new ATOM 994 N ASP A 65 6.515 0.409 -2.820 1.00 51.40 N ATOM 995 CA ASP A 65 7.398 0.975 -3.833 1.00 2.11 C ATOM 996 C ASP A 65 6.607 1.409 -5.063 1.00 64.20 C ATOM 997 O ASP A 65 6.763 2.528 -5.551 1.00 63.20 O ATOM 998 CB ASP A 65 8.468 -0.043 -4.234 1.00 44.20 C ATOM 999 CG ASP A 65 9.527 0.557 -5.137 1.00 23.50 C ATOM 1000 OD1 ASP A 65 9.160 1.303 -6.069 1.00 64.00 O ATOM 1001 OD2 ASP A 65 10.725 0.282 -4.913 1.00 33.00 O ATOM 0 H ASP A 65 6.722 -0.559 -2.573 1.00 51.40 H new ATOM 0 HA ASP A 65 7.883 1.853 -3.406 1.00 2.11 H new ATOM 0 HB2 ASP A 65 8.942 -0.440 -3.337 1.00 44.20 H new ATOM 0 HB3 ASP A 65 7.994 -0.883 -4.742 1.00 44.20 H new ATOM 1006 N ARG A 66 5.756 0.516 -5.557 1.00 13.50 N ATOM 1007 CA ARG A 66 4.939 0.807 -6.730 1.00 32.20 C ATOM 1008 C ARG A 66 3.999 1.978 -6.460 1.00 52.20 C ATOM 1009 O ARG A 66 3.677 2.750 -7.363 1.00 15.40 O ATOM 1010 CB ARG A 66 4.131 -0.428 -7.134 1.00 35.40 C ATOM 1011 CG ARG A 66 3.919 -0.551 -8.634 1.00 23.40 C ATOM 1012 CD ARG A 66 2.943 -1.667 -8.968 1.00 40.20 C ATOM 1013 NE ARG A 66 2.802 -1.858 -10.410 1.00 51.10 N ATOM 1014 CZ ARG A 66 3.686 -2.510 -11.160 1.00 15.40 C ATOM 1015 NH1 ARG A 66 4.774 -3.035 -10.610 1.00 55.30 N ATOM 1016 NH2 ARG A 66 3.481 -2.638 -12.460 1.00 34.10 N ATOM 0 H ARG A 66 5.614 -0.414 -5.164 1.00 13.50 H new ATOM 0 HA ARG A 66 5.606 1.080 -7.548 1.00 32.20 H new ATOM 0 HB2 ARG A 66 4.642 -1.321 -6.773 1.00 35.40 H new ATOM 0 HB3 ARG A 66 3.160 -0.395 -6.640 1.00 35.40 H new ATOM 0 HG2 ARG A 66 3.543 0.393 -9.028 1.00 23.40 H new ATOM 0 HG3 ARG A 66 4.874 -0.743 -9.123 1.00 23.40 H new ATOM 0 HD2 ARG A 66 3.284 -2.596 -8.511 1.00 40.20 H new ATOM 0 HD3 ARG A 66 1.969 -1.438 -8.536 1.00 40.20 H new ATOM 0 HE ARG A 66 1.978 -1.469 -10.868 1.00 51.10 H new ATOM 0 HH11 ARG A 66 4.935 -2.939 -9.607 1.00 55.30 H new ATOM 0 HH12 ARG A 66 5.449 -3.534 -11.190 1.00 55.30 H new ATOM 0 HH21 ARG A 66 2.646 -2.237 -12.887 1.00 34.10 H new ATOM 0 HH22 ARG A 66 4.158 -3.138 -13.036 1.00 34.10 H new ATOM 1030 N ALA A 67 3.562 2.103 -5.211 1.00 51.00 N ATOM 1031 CA ALA A 67 2.659 3.180 -4.821 1.00 31.00 C ATOM 1032 C ALA A 67 3.285 4.544 -5.089 1.00 40.20 C ATOM 1033 O ALA A 67 2.706 5.377 -5.788 1.00 73.40 O ATOM 1034 CB ALA A 67 2.285 3.048 -3.352 1.00 65.10 C ATOM 0 H ALA A 67 3.818 1.472 -4.452 1.00 51.00 H new ATOM 0 HA ALA A 67 1.754 3.100 -5.424 1.00 31.00 H new ATOM 0 HB1 ALA A 67 1.611 3.858 -3.074 1.00 65.10 H new ATOM 0 HB2 ALA A 67 1.790 2.091 -3.187 1.00 65.10 H new ATOM 0 HB3 ALA A 67 3.186 3.100 -2.741 1.00 65.10 H new ATOM 1040 N GLU A 68 4.469 4.768 -4.529 1.00 73.00 N ATOM 1041 CA GLU A 68 5.174 6.032 -4.709 1.00 51.10 C ATOM 1042 C GLU A 68 5.433 6.307 -6.187 1.00 54.40 C ATOM 1043 O GLU A 68 5.473 7.460 -6.616 1.00 40.40 O ATOM 1044 CB GLU A 68 6.497 6.016 -3.941 1.00 2.03 C ATOM 1045 CG GLU A 68 7.447 4.918 -4.390 1.00 70.10 C ATOM 1046 CD GLU A 68 8.893 5.225 -4.052 1.00 25.20 C ATOM 1047 OE1 GLU A 68 9.282 5.038 -2.880 1.00 41.20 O ATOM 1048 OE2 GLU A 68 9.637 5.652 -4.960 1.00 51.20 O ATOM 0 H GLU A 68 4.961 4.090 -3.946 1.00 73.00 H new ATOM 0 HA GLU A 68 4.543 6.829 -4.316 1.00 51.10 H new ATOM 0 HB2 GLU A 68 6.989 6.982 -4.060 1.00 2.03 H new ATOM 0 HB3 GLU A 68 6.289 5.893 -2.878 1.00 2.03 H new ATOM 0 HG2 GLU A 68 7.159 3.978 -3.919 1.00 70.10 H new ATOM 0 HG3 GLU A 68 7.351 4.777 -5.467 1.00 70.10 H new ATOM 1055 N LYS A 69 5.606 5.240 -6.960 1.00 43.50 N ATOM 1056 CA LYS A 69 5.860 5.366 -8.390 1.00 61.30 C ATOM 1057 C LYS A 69 4.622 5.877 -9.120 1.00 51.20 C ATOM 1058 O LYS A 69 4.728 6.569 -10.130 1.00 31.50 O ATOM 1059 CB LYS A 69 6.291 4.019 -8.974 1.00 33.10 C ATOM 1060 CG LYS A 69 6.670 4.087 -10.440 1.00 13.40 C ATOM 1061 CD LYS A 69 7.798 3.121 -10.770 1.00 51.40 C ATOM 1062 CE LYS A 69 8.771 3.722 -11.770 1.00 22.10 C ATOM 1063 NZ LYS A 69 8.134 3.949 -13.100 1.00 73.20 N ATOM 0 H LYS A 69 5.575 4.279 -6.620 1.00 43.50 H new ATOM 0 HA LYS A 69 6.665 6.088 -8.528 1.00 61.30 H new ATOM 0 HB2 LYS A 69 7.140 3.641 -8.405 1.00 33.10 H new ATOM 0 HB3 LYS A 69 5.479 3.302 -8.850 1.00 33.10 H new ATOM 0 HG2 LYS A 69 5.799 3.854 -11.053 1.00 13.40 H new ATOM 0 HG3 LYS A 69 6.974 5.103 -10.691 1.00 13.40 H new ATOM 0 HD2 LYS A 69 8.331 2.856 -9.857 1.00 51.40 H new ATOM 0 HD3 LYS A 69 7.382 2.199 -11.175 1.00 51.40 H new ATOM 0 HE2 LYS A 69 9.151 4.668 -11.383 1.00 22.10 H new ATOM 0 HE3 LYS A 69 9.628 3.058 -11.887 1.00 22.10 H new ATOM 0 HZ1 LYS A 69 8.831 4.360 -13.753 1.00 73.20 H new ATOM 0 HZ2 LYS A 69 7.794 3.043 -13.481 1.00 73.20 H new ATOM 0 HZ3 LYS A 69 7.332 4.603 -12.994 1.00 73.20 H new ATOM 1077 N LEU A 70 3.449 5.533 -8.599 1.00 73.50 N ATOM 1078 CA LEU A 70 2.191 5.958 -9.201 1.00 32.20 C ATOM 1079 C LEU A 70 1.851 7.389 -8.799 1.00 5.42 C ATOM 1080 O LEU A 70 1.549 8.228 -9.647 1.00 53.30 O ATOM 1081 CB LEU A 70 1.059 5.016 -8.785 1.00 11.40 C ATOM 1082 CG LEU A 70 0.851 3.808 -9.701 1.00 34.40 C ATOM 1083 CD1 LEU A 70 1.967 2.793 -9.507 1.00 14.10 C ATOM 1084 CD2 LEU A 70 -0.504 3.170 -9.439 1.00 32.00 C ATOM 0 H LEU A 70 3.343 4.961 -7.761 1.00 73.50 H new ATOM 0 HA LEU A 70 2.305 5.922 -10.284 1.00 32.20 H new ATOM 0 HB2 LEU A 70 1.258 4.657 -7.775 1.00 11.40 H new ATOM 0 HB3 LEU A 70 0.130 5.585 -8.743 1.00 11.40 H new ATOM 0 HG LEU A 70 0.876 4.151 -10.735 1.00 34.40 H new ATOM 0 HD11 LEU A 70 1.802 1.941 -10.166 1.00 14.10 H new ATOM 0 HD12 LEU A 70 2.925 3.256 -9.744 1.00 14.10 H new ATOM 0 HD13 LEU A 70 1.974 2.454 -8.471 1.00 14.10 H new ATOM 0 HD21 LEU A 70 -0.636 2.312 -10.099 1.00 32.00 H new ATOM 0 HD22 LEU A 70 -0.557 2.841 -8.401 1.00 32.00 H new ATOM 0 HD23 LEU A 70 -1.292 3.899 -9.629 1.00 32.00 H new ATOM 1096 N LYS A 71 1.904 7.662 -7.499 1.00 44.30 N ATOM 1097 CA LYS A 71 1.603 8.992 -6.984 1.00 63.20 C ATOM 1098 C LYS A 71 2.586 10.023 -7.530 1.00 23.20 C ATOM 1099 O LYS A 71 2.236 11.187 -7.724 1.00 35.10 O ATOM 1100 CB LYS A 71 1.644 8.991 -5.455 1.00 34.50 C ATOM 1101 CG LYS A 71 0.608 9.903 -4.818 1.00 63.20 C ATOM 1102 CD LYS A 71 1.117 10.499 -3.515 1.00 31.50 C ATOM 1103 CE LYS A 71 0.858 9.571 -2.339 1.00 13.00 C ATOM 1104 NZ LYS A 71 -0.390 9.931 -1.612 1.00 4.13 N ATOM 0 H LYS A 71 2.153 6.979 -6.783 1.00 44.30 H new ATOM 0 HA LYS A 71 0.600 9.263 -7.314 1.00 63.20 H new ATOM 0 HB2 LYS A 71 1.490 7.973 -5.096 1.00 34.50 H new ATOM 0 HB3 LYS A 71 2.637 9.298 -5.126 1.00 34.50 H new ATOM 0 HG2 LYS A 71 0.352 10.705 -5.511 1.00 63.20 H new ATOM 0 HG3 LYS A 71 -0.307 9.341 -4.630 1.00 63.20 H new ATOM 0 HD2 LYS A 71 2.186 10.695 -3.597 1.00 31.50 H new ATOM 0 HD3 LYS A 71 0.630 11.458 -3.337 1.00 31.50 H new ATOM 0 HE2 LYS A 71 0.787 8.544 -2.696 1.00 13.00 H new ATOM 0 HE3 LYS A 71 1.703 9.611 -1.652 1.00 13.00 H new ATOM 0 HZ1 LYS A 71 -0.531 9.275 -0.818 1.00 4.13 H new ATOM 0 HZ2 LYS A 71 -0.312 10.902 -1.249 1.00 4.13 H new ATOM 0 HZ3 LYS A 71 -1.200 9.868 -2.261 1.00 4.13 H new ATOM 1118 N ASP A 72 3.816 9.586 -7.777 1.00 15.10 N ATOM 1119 CA ASP A 72 4.850 10.471 -8.302 1.00 15.10 C ATOM 1120 C ASP A 72 4.689 10.666 -9.806 1.00 74.10 C ATOM 1121 O ASP A 72 5.023 11.721 -10.340 1.00 33.30 O ATOM 1122 CB ASP A 72 6.238 9.905 -7.996 1.00 34.30 C ATOM 1123 CG ASP A 72 6.614 10.056 -6.535 1.00 51.10 C ATOM 1124 OD1 ASP A 72 5.767 9.751 -5.669 1.00 4.30 O ATOM 1125 OD2 ASP A 72 7.756 10.480 -6.256 1.00 65.30 O ATOM 0 H ASP A 72 4.121 8.625 -7.622 1.00 15.10 H new ATOM 0 HA ASP A 72 4.744 11.440 -7.815 1.00 15.10 H new ATOM 0 HB2 ASP A 72 6.265 8.850 -8.268 1.00 34.30 H new ATOM 0 HB3 ASP A 72 6.979 10.413 -8.613 1.00 34.30 H new ATOM 1130 N TYR A 73 4.173 9.642 -10.470 1.00 12.00 N ATOM 1131 CA TYR A 73 3.967 9.701 -11.920 1.00 12.40 C ATOM 1132 C TYR A 73 3.018 10.837 -12.280 1.00 62.50 C ATOM 1133 O TYR A 73 3.274 11.596 -13.220 1.00 54.30 O ATOM 1134 CB TYR A 73 3.413 8.371 -12.430 1.00 14.20 C ATOM 1135 CG TYR A 73 3.222 8.331 -13.930 1.00 63.20 C ATOM 1136 CD1 TYR A 73 4.275 8.001 -14.770 1.00 63.40 C ATOM 1137 CD2 TYR A 73 1.990 8.622 -14.500 1.00 5.41 C ATOM 1138 CE1 TYR A 73 4.105 7.964 -16.140 1.00 2.41 C ATOM 1139 CE2 TYR A 73 1.812 8.586 -15.870 1.00 4.40 C ATOM 1140 CZ TYR A 73 2.872 8.257 -16.690 1.00 4.31 C ATOM 1141 OH TYR A 73 2.698 8.220 -18.050 1.00 13.40 O ATOM 0 H TYR A 73 3.889 8.763 -10.037 1.00 12.00 H new ATOM 0 HA TYR A 73 4.929 9.889 -12.397 1.00 12.40 H new ATOM 0 HB2 TYR A 73 4.090 7.568 -12.137 1.00 14.20 H new ATOM 0 HB3 TYR A 73 2.457 8.175 -11.945 1.00 14.20 H new ATOM 0 HD1 TYR A 73 5.241 7.770 -14.347 1.00 63.40 H new ATOM 0 HD2 TYR A 73 1.157 8.881 -13.863 1.00 5.41 H new ATOM 0 HE1 TYR A 73 4.935 7.706 -16.781 1.00 2.41 H new ATOM 0 HE2 TYR A 73 0.847 8.815 -16.297 1.00 4.40 H new ATOM 0 HH TYR A 73 1.771 8.451 -18.268 1.00 13.40 H new ATOM 1151 N LEU A 74 1.920 10.947 -11.540 1.00 30.30 N ATOM 1152 CA LEU A 74 0.932 11.990 -11.790 1.00 32.30 C ATOM 1153 C LEU A 74 1.336 13.295 -11.110 1.00 10.10 C ATOM 1154 O LEU A 74 1.200 14.374 -11.690 1.00 1.41 O ATOM 1155 CB LEU A 74 -0.445 11.547 -11.290 1.00 51.40 C ATOM 1156 CG LEU A 74 -0.953 10.230 -11.880 1.00 4.32 C ATOM 1157 CD1 LEU A 74 -1.812 9.489 -10.870 1.00 24.20 C ATOM 1158 CD2 LEU A 74 -1.736 10.488 -13.160 1.00 3.32 C ATOM 0 H LEU A 74 1.692 10.327 -10.763 1.00 30.30 H new ATOM 0 HA LEU A 74 0.884 12.160 -12.866 1.00 32.30 H new ATOM 0 HB2 LEU A 74 -0.408 11.451 -10.205 1.00 51.40 H new ATOM 0 HB3 LEU A 74 -1.167 12.332 -11.516 1.00 51.40 H new ATOM 0 HG LEU A 74 -0.093 9.606 -12.121 1.00 4.32 H new ATOM 0 HD11 LEU A 74 -2.164 8.555 -11.308 1.00 24.20 H new ATOM 0 HD12 LEU A 74 -1.222 9.273 -9.980 1.00 24.20 H new ATOM 0 HD13 LEU A 74 -2.667 10.107 -10.597 1.00 24.20 H new ATOM 0 HD21 LEU A 74 -2.090 9.541 -13.567 1.00 3.32 H new ATOM 0 HD22 LEU A 74 -2.589 11.131 -12.942 1.00 3.32 H new ATOM 0 HD23 LEU A 74 -1.090 10.977 -13.889 1.00 3.32 H new ATOM 1170 N ARG A 75 1.832 13.188 -9.890 1.00 53.30 N ATOM 1171 CA ARG A 75 2.256 14.360 -9.132 1.00 70.30 C ATOM 1172 C ARG A 75 3.397 15.083 -9.841 1.00 65.40 C ATOM 1173 O ARG A 75 3.524 16.304 -9.748 1.00 3.42 O ATOM 1174 CB ARG A 75 2.692 13.953 -7.724 1.00 24.40 C ATOM 1175 CG ARG A 75 2.985 15.133 -6.812 1.00 24.30 C ATOM 1176 CD ARG A 75 2.672 14.807 -5.361 1.00 43.10 C ATOM 1177 NE ARG A 75 2.091 15.947 -4.656 1.00 3.33 N ATOM 1178 CZ ARG A 75 0.816 16.313 -4.762 1.00 71.30 C ATOM 1179 NH1 ARG A 75 -0.014 15.632 -5.543 1.00 15.50 N ATOM 1180 NH2 ARG A 75 0.369 17.362 -4.087 1.00 43.00 N ATOM 0 H ARG A 75 1.953 12.302 -9.399 1.00 53.30 H new ATOM 0 HA ARG A 75 1.408 15.041 -9.059 1.00 70.30 H new ATOM 0 HB2 ARG A 75 1.910 13.342 -7.273 1.00 24.40 H new ATOM 0 HB3 ARG A 75 3.583 13.329 -7.795 1.00 24.40 H new ATOM 0 HG2 ARG A 75 4.034 15.414 -6.905 1.00 24.30 H new ATOM 0 HG3 ARG A 75 2.395 15.994 -7.128 1.00 24.30 H new ATOM 0 HD2 ARG A 75 1.981 13.965 -5.320 1.00 43.10 H new ATOM 0 HD3 ARG A 75 3.585 14.495 -4.855 1.00 43.10 H new ATOM 0 HE ARG A 75 2.698 16.495 -4.047 1.00 3.33 H new ATOM 0 HH11 ARG A 75 0.325 14.824 -6.065 1.00 15.50 H new ATOM 0 HH12 ARG A 75 -0.990 15.917 -5.621 1.00 15.50 H new ATOM 0 HH21 ARG A 75 1.002 17.889 -3.486 1.00 43.00 H new ATOM 0 HH22 ARG A 75 -0.608 17.642 -4.169 1.00 43.00 H new ATOM 1195 N GLU B 115 10.528 -4.249 9.049 1.00 11.30 N ATOM 1196 CA GLU B 115 9.158 -3.760 9.149 1.00 71.10 C ATOM 1197 C GLU B 115 9.126 -2.236 9.199 1.00 25.40 C ATOM 1198 O GLU B 115 8.179 -1.608 8.726 1.00 25.40 O ATOM 1199 CB GLU B 115 8.478 -4.336 10.393 1.00 5.01 C ATOM 1200 CG GLU B 115 7.925 -5.737 10.189 1.00 61.30 C ATOM 1201 CD GLU B 115 8.887 -6.816 10.649 1.00 52.20 C ATOM 1202 OE1 GLU B 115 9.996 -6.902 10.082 1.00 10.40 O ATOM 1203 OE2 GLU B 115 8.530 -7.574 11.575 1.00 55.10 O ATOM 0 HA GLU B 115 8.617 -4.088 8.262 1.00 71.10 H new ATOM 0 HB2 GLU B 115 9.195 -4.353 11.214 1.00 5.01 H new ATOM 0 HB3 GLU B 115 7.666 -3.674 10.693 1.00 5.01 H new ATOM 0 HG2 GLU B 115 6.986 -5.836 10.734 1.00 61.30 H new ATOM 0 HG3 GLU B 115 7.698 -5.884 9.133 1.00 61.30 H new ATOM 1210 N ASP B 116 10.168 -1.646 9.776 1.00 52.40 N ATOM 1211 CA ASP B 116 10.261 -0.195 9.888 1.00 54.30 C ATOM 1212 C ASP B 116 10.569 0.438 8.535 1.00 62.30 C ATOM 1213 O ASP B 116 10.171 1.571 8.264 1.00 74.30 O ATOM 1214 CB ASP B 116 11.338 0.191 10.902 1.00 74.10 C ATOM 1215 CG ASP B 116 10.941 -0.148 12.326 1.00 4.32 C ATOM 1216 OD1 ASP B 116 9.750 0.014 12.664 1.00 21.50 O ATOM 1217 OD2 ASP B 116 11.821 -0.577 13.101 1.00 13.30 O ATOM 0 H ASP B 116 10.960 -2.151 10.173 1.00 52.40 H new ATOM 0 HA ASP B 116 9.297 0.180 10.232 1.00 54.30 H new ATOM 0 HB2 ASP B 116 12.267 -0.323 10.655 1.00 74.10 H new ATOM 0 HB3 ASP B 116 11.536 1.260 10.828 1.00 74.10 H new ATOM 1222 N GLN B 117 11.282 -0.300 7.689 1.00 2.12 N ATOM 1223 CA GLN B 117 11.644 0.191 6.364 1.00 32.20 C ATOM 1224 C GLN B 117 10.400 0.536 5.551 1.00 35.20 C ATOM 1225 O GLN B 117 10.214 1.681 5.139 1.00 54.30 O ATOM 1226 CB GLN B 117 12.479 -0.854 5.622 1.00 22.20 C ATOM 1227 CG GLN B 117 13.565 -0.253 4.744 1.00 43.40 C ATOM 1228 CD GLN B 117 13.131 -0.104 3.299 1.00 23.00 C ATOM 1229 OE1 GLN B 117 13.051 1.007 2.774 1.00 12.20 O ATOM 1230 NE2 GLN B 117 12.846 -1.226 2.648 1.00 34.40 N ATOM 0 H GLN B 117 11.620 -1.239 7.898 1.00 2.12 H new ATOM 0 HA GLN B 117 12.236 1.098 6.489 1.00 32.20 H new ATOM 0 HB2 GLN B 117 12.940 -1.522 6.350 1.00 22.20 H new ATOM 0 HB3 GLN B 117 11.819 -1.462 5.004 1.00 22.20 H new ATOM 0 HG2 GLN B 117 13.846 0.724 5.138 1.00 43.40 H new ATOM 0 HG3 GLN B 117 14.454 -0.883 4.789 1.00 43.40 H new ATOM 0 HE21 GLN B 117 12.926 -2.125 3.123 1.00 34.40 H new ATOM 0 HE22 GLN B 117 12.547 -1.188 1.674 1.00 34.40 H new ATOM 1239 N LEU B 118 9.552 -0.462 5.324 1.00 63.10 N ATOM 1240 CA LEU B 118 8.326 -0.263 4.559 1.00 2.13 C ATOM 1241 C LEU B 118 7.319 0.565 5.350 1.00 33.50 C ATOM 1242 O LEU B 118 6.504 1.286 4.773 1.00 61.40 O ATOM 1243 CB LEU B 118 7.711 -1.613 4.181 1.00 52.20 C ATOM 1244 CG LEU B 118 7.170 -2.431 5.355 1.00 10.40 C ATOM 1245 CD1 LEU B 118 5.964 -3.250 4.922 1.00 1.12 C ATOM 1246 CD2 LEU B 118 8.256 -3.335 5.919 1.00 2.12 C ATOM 0 H LEU B 118 9.691 -1.416 5.658 1.00 63.10 H new ATOM 0 HA LEU B 118 8.579 0.280 3.649 1.00 2.13 H new ATOM 0 HB2 LEU B 118 6.899 -1.440 3.474 1.00 52.20 H new ATOM 0 HB3 LEU B 118 8.465 -2.205 3.662 1.00 52.20 H new ATOM 0 HG LEU B 118 6.854 -1.743 6.139 1.00 10.40 H new ATOM 0 HD11 LEU B 118 5.592 -3.826 5.769 1.00 1.12 H new ATOM 0 HD12 LEU B 118 5.180 -2.582 4.565 1.00 1.12 H new ATOM 0 HD13 LEU B 118 6.254 -3.930 4.121 1.00 1.12 H new ATOM 0 HD21 LEU B 118 7.854 -3.910 6.753 1.00 2.12 H new ATOM 0 HD22 LEU B 118 8.602 -4.017 5.142 1.00 2.12 H new ATOM 0 HD23 LEU B 118 9.091 -2.727 6.266 1.00 2.12 H new ATOM 1258 N SER B 119 7.379 0.458 6.674 1.00 12.30 N ATOM 1259 CA SER B 119 6.471 1.199 7.542 1.00 3.11 C ATOM 1260 C SER B 119 6.722 2.699 7.439 1.00 43.20 C ATOM 1261 O SER B 119 5.784 3.496 7.425 1.00 40.40 O ATOM 1262 CB SER B 119 6.633 0.741 8.993 1.00 11.40 C ATOM 1263 OG SER B 119 5.832 1.518 9.866 1.00 1.03 O ATOM 0 H SER B 119 8.046 -0.134 7.168 1.00 12.30 H new ATOM 0 HA SER B 119 5.451 0.997 7.216 1.00 3.11 H new ATOM 0 HB2 SER B 119 6.356 -0.310 9.079 1.00 11.40 H new ATOM 0 HB3 SER B 119 7.679 0.820 9.288 1.00 11.40 H new ATOM 0 HG SER B 119 5.952 1.204 10.787 1.00 1.03 H new ATOM 1269 N ARG B 120 7.994 3.078 7.368 1.00 63.10 N ATOM 1270 CA ARG B 120 8.369 4.483 7.266 1.00 44.20 C ATOM 1271 C ARG B 120 7.919 5.071 5.932 1.00 30.00 C ATOM 1272 O ARG B 120 7.347 6.160 5.884 1.00 33.30 O ATOM 1273 CB ARG B 120 9.883 4.642 7.421 1.00 74.30 C ATOM 1274 CG ARG B 120 10.290 5.919 8.138 1.00 50.10 C ATOM 1275 CD ARG B 120 11.762 5.898 8.519 1.00 32.50 C ATOM 1276 NE ARG B 120 12.017 6.628 9.758 1.00 34.10 N ATOM 1277 CZ ARG B 120 13.231 6.823 10.267 1.00 2.43 C ATOM 1278 NH1 ARG B 120 14.303 6.344 9.648 1.00 11.00 N ATOM 1279 NH2 ARG B 120 13.375 7.498 11.399 1.00 73.40 N ATOM 0 H ARG B 120 8.783 2.431 7.379 1.00 63.10 H new ATOM 0 HA ARG B 120 7.870 5.025 8.069 1.00 44.20 H new ATOM 0 HB2 ARG B 120 10.276 3.786 7.970 1.00 74.30 H new ATOM 0 HB3 ARG B 120 10.345 4.627 6.434 1.00 74.30 H new ATOM 0 HG2 ARG B 120 10.091 6.777 7.496 1.00 50.10 H new ATOM 0 HG3 ARG B 120 9.683 6.044 9.034 1.00 50.10 H new ATOM 0 HD2 ARG B 120 12.093 4.865 8.632 1.00 32.50 H new ATOM 0 HD3 ARG B 120 12.351 6.335 7.713 1.00 32.50 H new ATOM 0 HE ARG B 120 11.218 7.011 10.263 1.00 34.10 H new ATOM 0 HH11 ARG B 120 14.199 5.823 8.777 1.00 11.00 H new ATOM 0 HH12 ARG B 120 15.231 6.497 10.043 1.00 11.00 H new ATOM 0 HH21 ARG B 120 12.555 7.868 11.880 1.00 73.40 H new ATOM 0 HH22 ARG B 120 14.306 7.647 11.789 1.00 73.40 H new ATOM 1293 N ARG B 121 8.181 4.343 4.852 1.00 71.10 N ATOM 1294 CA ARG B 121 7.802 4.792 3.517 1.00 71.40 C ATOM 1295 C ARG B 121 6.292 4.978 3.414 1.00 62.20 C ATOM 1296 O ARG B 121 5.812 5.842 2.680 1.00 72.10 O ATOM 1297 CB ARG B 121 8.278 3.789 2.465 1.00 73.20 C ATOM 1298 CG ARG B 121 9.783 3.575 2.464 1.00 62.30 C ATOM 1299 CD ARG B 121 10.146 2.179 1.985 1.00 53.20 C ATOM 1300 NE ARG B 121 11.363 2.177 1.176 1.00 22.40 N ATOM 1301 CZ ARG B 121 11.715 1.180 0.368 1.00 44.10 C ATOM 1302 NH1 ARG B 121 10.946 0.103 0.258 1.00 32.10 N ATOM 1303 NH2 ARG B 121 12.838 1.259 -0.333 1.00 2.51 N ATOM 0 H ARG B 121 8.654 3.440 4.875 1.00 71.10 H new ATOM 0 HA ARG B 121 8.281 5.754 3.334 1.00 71.40 H new ATOM 0 HB2 ARG B 121 7.784 2.833 2.637 1.00 73.20 H new ATOM 0 HB3 ARG B 121 7.968 4.135 1.479 1.00 73.20 H new ATOM 0 HG2 ARG B 121 10.257 4.316 1.821 1.00 62.30 H new ATOM 0 HG3 ARG B 121 10.174 3.729 3.470 1.00 62.30 H new ATOM 0 HD2 ARG B 121 10.282 1.524 2.846 1.00 53.20 H new ATOM 0 HD3 ARG B 121 9.322 1.770 1.401 1.00 53.20 H new ATOM 0 HE ARG B 121 11.979 2.988 1.234 1.00 22.40 H new ATOM 0 HH11 ARG B 121 10.081 0.037 0.794 1.00 32.10 H new ATOM 0 HH12 ARG B 121 11.220 -0.658 -0.363 1.00 32.10 H new ATOM 0 HH21 ARG B 121 13.432 2.084 -0.253 1.00 2.51 H new ATOM 0 HH22 ARG B 121 13.108 0.495 -0.952 1.00 2.51 H new ATOM 1317 N LEU B 122 5.549 4.162 4.153 1.00 34.40 N ATOM 1318 CA LEU B 122 4.092 4.236 4.145 1.00 71.50 C ATOM 1319 C LEU B 122 3.613 5.579 4.687 1.00 70.00 C ATOM 1320 O LEU B 122 2.814 6.267 4.052 1.00 51.40 O ATOM 1321 CB LEU B 122 3.497 3.097 4.974 1.00 10.30 C ATOM 1322 CG LEU B 122 2.118 2.617 4.520 1.00 41.20 C ATOM 1323 CD1 LEU B 122 1.894 1.170 4.930 1.00 11.10 C ATOM 1324 CD2 LEU B 122 1.029 3.511 5.095 1.00 55.40 C ATOM 0 H LEU B 122 5.931 3.441 4.765 1.00 34.40 H new ATOM 0 HA LEU B 122 3.754 4.139 3.113 1.00 71.50 H new ATOM 0 HB2 LEU B 122 4.185 2.252 4.949 1.00 10.30 H new ATOM 0 HB3 LEU B 122 3.428 3.421 6.012 1.00 10.30 H new ATOM 0 HG LEU B 122 2.073 2.675 3.432 1.00 41.20 H new ATOM 0 HD11 LEU B 122 0.907 0.846 4.598 1.00 11.10 H new ATOM 0 HD12 LEU B 122 2.656 0.540 4.471 1.00 11.10 H new ATOM 0 HD13 LEU B 122 1.958 1.085 6.015 1.00 11.10 H new ATOM 0 HD21 LEU B 122 0.054 3.156 4.762 1.00 55.40 H new ATOM 0 HD22 LEU B 122 1.073 3.484 6.184 1.00 55.40 H new ATOM 0 HD23 LEU B 122 1.179 4.534 4.751 1.00 55.40 H new ATOM 1336 N ALA B 123 4.106 5.946 5.866 1.00 0.52 N ATOM 1337 CA ALA B 123 3.729 7.206 6.494 1.00 13.30 C ATOM 1338 C ALA B 123 4.099 8.392 5.610 1.00 43.40 C ATOM 1339 O ALA B 123 3.309 9.320 5.436 1.00 12.40 O ATOM 1340 CB ALA B 123 4.390 7.334 7.858 1.00 12.00 C ATOM 0 H ALA B 123 4.768 5.388 6.405 1.00 0.52 H new ATOM 0 HA ALA B 123 2.647 7.209 6.626 1.00 13.30 H new ATOM 0 HB1 ALA B 123 4.100 8.280 8.316 1.00 12.00 H new ATOM 0 HB2 ALA B 123 4.071 6.509 8.496 1.00 12.00 H new ATOM 0 HB3 ALA B 123 5.473 7.305 7.741 1.00 12.00 H new ATOM 1346 N ALA B 124 5.306 8.355 5.054 1.00 62.30 N ATOM 1347 CA ALA B 124 5.781 9.427 4.188 1.00 21.40 C ATOM 1348 C ALA B 124 4.911 9.553 2.942 1.00 31.40 C ATOM 1349 O ALA B 124 4.731 10.646 2.407 1.00 54.50 O ATOM 1350 CB ALA B 124 7.232 9.186 3.799 1.00 63.20 C ATOM 0 H ALA B 124 5.972 7.594 5.188 1.00 62.30 H new ATOM 0 HA ALA B 124 5.715 10.364 4.741 1.00 21.40 H new ATOM 0 HB1 ALA B 124 7.574 9.994 3.152 1.00 63.20 H new ATOM 0 HB2 ALA B 124 7.849 9.154 4.697 1.00 63.20 H new ATOM 0 HB3 ALA B 124 7.314 8.237 3.269 1.00 63.20 H new ATOM 1356 N LEU B 125 4.373 8.426 2.486 1.00 54.30 N ATOM 1357 CA LEU B 125 3.522 8.411 1.303 1.00 15.40 C ATOM 1358 C LEU B 125 2.281 9.272 1.514 1.00 41.40 C ATOM 1359 O LEU B 125 1.996 10.173 0.724 1.00 74.00 O ATOM 1360 CB LEU B 125 3.109 6.977 0.964 1.00 61.10 C ATOM 1361 CG LEU B 125 2.596 6.770 -0.462 1.00 61.30 C ATOM 1362 CD1 LEU B 125 3.751 6.474 -1.407 1.00 72.10 C ATOM 1363 CD2 LEU B 125 1.571 5.647 -0.501 1.00 33.30 C ATOM 0 H LEU B 125 4.512 7.512 2.918 1.00 54.30 H new ATOM 0 HA LEU B 125 4.092 8.825 0.471 1.00 15.40 H new ATOM 0 HB2 LEU B 125 3.965 6.321 1.125 1.00 61.10 H new ATOM 0 HB3 LEU B 125 2.332 6.664 1.662 1.00 61.10 H new ATOM 0 HG LEU B 125 2.111 7.689 -0.791 1.00 61.30 H new ATOM 0 HD11 LEU B 125 3.367 6.330 -2.417 1.00 72.10 H new ATOM 0 HD12 LEU B 125 4.450 7.310 -1.401 1.00 72.10 H new ATOM 0 HD13 LEU B 125 4.265 5.570 -1.081 1.00 72.10 H new ATOM 0 HD21 LEU B 125 1.217 5.513 -1.523 1.00 33.30 H new ATOM 0 HD22 LEU B 125 2.031 4.722 -0.153 1.00 33.30 H new ATOM 0 HD23 LEU B 125 0.730 5.900 0.145 1.00 33.30 H new