USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1094 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 49:sc= 1.01 USER MOD Set 2.1: A 33 GLN : amide:sc= -1.66 K(o=-1.7,f=-2.7) USER MOD Set 2.2: A 37 GLN :FLIP amide:sc= 0.0051 F(o=-3.3,f=-1.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -151:sc= -0.336 USER MOD Single : A 12 LYS NZ :NH3+ -122:sc= -0.145 (180deg=-1.24!) USER MOD Single : A 14 THR OG1 : rot -128:sc= -0.334 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 100:sc= -0.196 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 62:sc= 0.42 USER MOD Single : A 31 THR OG1 : rot -117:sc= 0.678 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.344 USER MOD Single : A 40 THR OG1 : rot -56:sc= -0.311 USER MOD Single : A 41 HIS : no HD1:sc= -0.0059 X(o=-0.0059,f=-0.34) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0342) USER MOD Single : A 55 HIS : no HE2:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 56 MET CE :methyl 144:sc= 0 (180deg=-0.528) USER MOD Single : A 60 ASN : amide:sc= 0.383 K(o=0.38,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -18:sc= 0.276 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.05! C(o=-12!,f=-7!) USER MOD Single : A 77 LYS NZ :NH3+ -177:sc= 0.335 (180deg=0.327) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -0.134 (180deg=-0.528) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.41 F(o=-3.4!,f=-2.4) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -170:sc= -1.52! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 98 LYS NZ :NH3+ 156:sc= -0.0138 (180deg=-0.695) USER MOD Single : A 99 ASN : amide:sc= 0.245 X(o=0.24,f=0) USER MOD Single : A 102 THR OG1 : rot 62:sc= -1.22 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.463 USER MOD Single : A 106 MET CE :methyl -171:sc= -4.74 (180deg=-4.79!) USER MOD Single : A 119 THR OG1 : rot 87:sc= 1.08 USER MOD Single : A 121 GLN : amide:sc= -0.152 K(o=-0.15,f=-0.96) USER MOD Single : A 124 GLN : amide:sc= -3.52 K(o=-3.5,f=-5.2!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 177:sc= -0.11 (180deg=-0.138) USER MOD Single : A 133 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 134 THR OG1 : rot 110:sc= -1.04 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.993 -14.403 1.743 1.00 0.00 N ATOM 2 CA GLY A 1 23.922 -13.389 2.207 1.00 0.00 C ATOM 3 C GLY A 1 23.248 -12.332 3.059 1.00 0.00 C ATOM 4 O GLY A 1 23.333 -11.140 2.764 1.00 0.00 O ATOM 0 H1 GLY A 1 23.502 -15.102 1.165 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.561 -14.878 2.561 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.249 -13.956 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.716 -13.864 2.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.394 -12.912 1.348 1.00 0.00 H new ATOM 8 N SER A 2 22.574 -12.769 4.118 1.00 0.00 N ATOM 9 CA SER A 2 21.878 -11.852 5.013 1.00 0.00 C ATOM 10 C SER A 2 22.675 -10.565 5.200 1.00 0.00 C ATOM 11 O SER A 2 23.891 -10.597 5.390 1.00 0.00 O ATOM 12 CB SER A 2 21.634 -12.516 6.369 1.00 0.00 C ATOM 13 OG SER A 2 22.857 -12.870 6.991 1.00 0.00 O ATOM 0 H SER A 2 22.495 -13.752 4.377 1.00 0.00 H new ATOM 0 HA SER A 2 20.918 -11.602 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.077 -11.837 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.019 -13.406 6.236 1.00 0.00 H new ATOM 0 HG SER A 2 22.674 -13.291 7.857 1.00 0.00 H new ATOM 19 N SER A 3 21.981 -9.432 5.145 1.00 0.00 N ATOM 20 CA SER A 3 22.624 -8.133 5.304 1.00 0.00 C ATOM 21 C SER A 3 22.809 -7.796 6.780 1.00 0.00 C ATOM 22 O SER A 3 21.847 -7.493 7.485 1.00 0.00 O ATOM 23 CB SER A 3 21.795 -7.044 4.620 1.00 0.00 C ATOM 24 OG SER A 3 22.563 -5.870 4.420 1.00 0.00 O ATOM 0 H SER A 3 20.974 -9.388 4.992 1.00 0.00 H new ATOM 0 HA SER A 3 23.607 -8.181 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.428 -7.410 3.661 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.921 -6.812 5.228 1.00 0.00 H new ATOM 0 HG SER A 3 22.012 -5.190 3.980 1.00 0.00 H new ATOM 30 N GLY A 4 24.055 -7.851 7.242 1.00 0.00 N ATOM 31 CA GLY A 4 24.345 -7.550 8.631 1.00 0.00 C ATOM 32 C GLY A 4 24.106 -6.092 8.971 1.00 0.00 C ATOM 33 O GLY A 4 23.017 -5.565 8.743 1.00 0.00 O ATOM 0 H GLY A 4 24.868 -8.099 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.724 -8.176 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.383 -7.804 8.846 1.00 0.00 H new ATOM 37 N SER A 5 25.126 -5.438 9.518 1.00 0.00 N ATOM 38 CA SER A 5 25.020 -4.034 9.895 1.00 0.00 C ATOM 39 C SER A 5 25.455 -3.129 8.746 1.00 0.00 C ATOM 40 O SER A 5 26.130 -2.122 8.956 1.00 0.00 O ATOM 41 CB SER A 5 25.872 -3.750 11.133 1.00 0.00 C ATOM 42 OG SER A 5 27.254 -3.806 10.825 1.00 0.00 O ATOM 0 H SER A 5 26.035 -5.859 9.710 1.00 0.00 H new ATOM 0 HA SER A 5 23.976 -3.823 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.624 -2.766 11.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.640 -4.476 11.912 1.00 0.00 H new ATOM 0 HG SER A 5 27.777 -3.619 11.633 1.00 0.00 H new ATOM 48 N SER A 6 25.062 -3.496 7.530 1.00 0.00 N ATOM 49 CA SER A 6 25.414 -2.721 6.346 1.00 0.00 C ATOM 50 C SER A 6 24.173 -2.095 5.718 1.00 0.00 C ATOM 51 O SER A 6 23.529 -2.694 4.858 1.00 0.00 O ATOM 52 CB SER A 6 26.125 -3.609 5.323 1.00 0.00 C ATOM 53 OG SER A 6 26.914 -2.833 4.437 1.00 0.00 O ATOM 0 H SER A 6 24.500 -4.325 7.339 1.00 0.00 H new ATOM 0 HA SER A 6 26.088 -1.921 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.757 -4.331 5.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.388 -4.178 4.756 1.00 0.00 H new ATOM 0 HG SER A 6 27.360 -3.423 3.794 1.00 0.00 H new ATOM 59 N GLY A 7 23.843 -0.884 6.156 1.00 0.00 N ATOM 60 CA GLY A 7 22.680 -0.195 5.627 1.00 0.00 C ATOM 61 C GLY A 7 21.381 -0.885 5.993 1.00 0.00 C ATOM 62 O GLY A 7 21.381 -1.871 6.731 1.00 0.00 O ATOM 0 H GLY A 7 24.360 -0.368 6.868 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.664 0.827 6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.761 -0.132 4.542 1.00 0.00 H new ATOM 66 N ILE A 8 20.272 -0.367 5.478 1.00 0.00 N ATOM 67 CA ILE A 8 18.961 -0.940 5.756 1.00 0.00 C ATOM 68 C ILE A 8 18.425 -1.699 4.547 1.00 0.00 C ATOM 69 O ILE A 8 18.309 -1.160 3.446 1.00 0.00 O ATOM 70 CB ILE A 8 17.945 0.147 6.157 1.00 0.00 C ATOM 71 CG1 ILE A 8 17.975 0.370 7.670 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.546 -0.242 5.701 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.969 -0.469 8.425 1.00 0.00 C ATOM 0 H ILE A 8 20.255 0.449 4.866 1.00 0.00 H new ATOM 0 HA ILE A 8 19.089 -1.632 6.589 1.00 0.00 H new ATOM 0 HB ILE A 8 18.220 1.080 5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.975 0.146 8.042 1.00 0.00 H new ATOM 0 HG13 ILE A 8 17.786 1.423 7.878 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.839 0.535 5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.535 -0.356 4.617 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.260 -1.185 6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.047 -0.259 9.492 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.963 -0.229 8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 8 17.170 -1.525 8.248 1.00 0.00 H new ATOM 85 N PRO A 9 18.089 -2.981 4.754 1.00 0.00 N ATOM 86 CA PRO A 9 17.557 -3.841 3.694 1.00 0.00 C ATOM 87 C PRO A 9 16.070 -3.610 3.450 1.00 0.00 C ATOM 88 O PRO A 9 15.316 -3.315 4.378 1.00 0.00 O ATOM 89 CB PRO A 9 17.797 -5.255 4.230 1.00 0.00 C ATOM 90 CG PRO A 9 17.788 -5.104 5.712 1.00 0.00 C ATOM 91 CD PRO A 9 18.201 -3.688 6.041 1.00 0.00 C ATOM 0 HA PRO A 9 18.036 -3.647 2.734 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.019 -5.942 3.897 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.748 -5.656 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.795 -5.313 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.473 -5.817 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.551 -3.247 6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.218 -3.648 6.432 1.00 0.00 H new ATOM 99 N THR A 10 15.652 -3.745 2.195 1.00 0.00 N ATOM 100 CA THR A 10 14.255 -3.549 1.829 1.00 0.00 C ATOM 101 C THR A 10 13.807 -4.582 0.801 1.00 0.00 C ATOM 102 O THR A 10 14.619 -5.347 0.280 1.00 0.00 O ATOM 103 CB THR A 10 14.016 -2.138 1.260 1.00 0.00 C ATOM 104 OG1 THR A 10 14.841 -1.927 0.109 1.00 0.00 O ATOM 105 CG2 THR A 10 14.314 -1.075 2.306 1.00 0.00 C ATOM 0 H THR A 10 16.262 -3.989 1.415 1.00 0.00 H new ATOM 0 HA THR A 10 13.669 -3.669 2.740 1.00 0.00 H new ATOM 0 HB THR A 10 12.967 -2.059 0.973 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.682 -1.028 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.138 -0.087 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.663 -1.220 3.168 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.355 -1.155 2.620 1.00 0.00 H new ATOM 113 N CYS A 11 12.510 -4.599 0.513 1.00 0.00 N ATOM 114 CA CYS A 11 11.953 -5.539 -0.453 1.00 0.00 C ATOM 115 C CYS A 11 10.774 -4.919 -1.197 1.00 0.00 C ATOM 116 O CYS A 11 10.353 -3.802 -0.895 1.00 0.00 O ATOM 117 CB CYS A 11 11.511 -6.823 0.250 1.00 0.00 C ATOM 118 SG CYS A 11 11.617 -8.304 -0.782 1.00 0.00 S ATOM 0 H CYS A 11 11.825 -3.972 0.935 1.00 0.00 H new ATOM 0 HA CYS A 11 12.730 -5.780 -1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.125 -6.968 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.482 -6.703 0.590 1.00 0.00 H new ATOM 0 HG CYS A 11 10.721 -9.165 -0.399 1.00 0.00 H new ATOM 124 N LYS A 12 10.246 -5.651 -2.172 1.00 0.00 N ATOM 125 CA LYS A 12 9.116 -5.175 -2.961 1.00 0.00 C ATOM 126 C LYS A 12 7.804 -5.744 -2.429 1.00 0.00 C ATOM 127 O LYS A 12 7.722 -6.923 -2.085 1.00 0.00 O ATOM 128 CB LYS A 12 9.294 -5.563 -4.430 1.00 0.00 C ATOM 129 CG LYS A 12 8.097 -5.218 -5.299 1.00 0.00 C ATOM 130 CD LYS A 12 8.440 -5.296 -6.778 1.00 0.00 C ATOM 131 CE LYS A 12 9.155 -4.039 -7.251 1.00 0.00 C ATOM 132 NZ LYS A 12 10.635 -4.204 -7.238 1.00 0.00 N ATOM 0 H LYS A 12 10.583 -6.577 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 12 9.080 -4.089 -2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.177 -5.060 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.482 -6.635 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.277 -5.901 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.749 -4.214 -5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.071 -6.166 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.528 -5.437 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.826 -3.792 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.877 -3.201 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.060 -3.476 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.876 -5.147 -6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.004 -4.104 -8.205 1.00 0.00 H new ATOM 146 N ILE A 13 6.781 -4.898 -2.367 1.00 0.00 N ATOM 147 CA ILE A 13 5.472 -5.318 -1.880 1.00 0.00 C ATOM 148 C ILE A 13 4.387 -5.045 -2.915 1.00 0.00 C ATOM 149 O ILE A 13 3.607 -4.101 -2.780 1.00 0.00 O ATOM 150 CB ILE A 13 5.105 -4.603 -0.566 1.00 0.00 C ATOM 151 CG1 ILE A 13 6.111 -4.956 0.531 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.693 -4.976 -0.137 1.00 0.00 C ATOM 153 CD1 ILE A 13 6.143 -6.429 0.871 1.00 0.00 C ATOM 0 H ILE A 13 6.833 -3.919 -2.648 1.00 0.00 H new ATOM 0 HA ILE A 13 5.533 -6.391 -1.696 1.00 0.00 H new ATOM 0 HB ILE A 13 5.141 -3.526 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.106 -4.643 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.869 -4.389 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.448 -4.463 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.987 -4.679 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.632 -6.053 0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.878 -6.605 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.159 -6.744 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.415 -7.001 -0.016 1.00 0.00 H new ATOM 165 N THR A 14 4.340 -5.879 -3.950 1.00 0.00 N ATOM 166 CA THR A 14 3.350 -5.728 -5.008 1.00 0.00 C ATOM 167 C THR A 14 2.111 -6.570 -4.726 1.00 0.00 C ATOM 168 O THR A 14 2.172 -7.801 -4.722 1.00 0.00 O ATOM 169 CB THR A 14 3.928 -6.128 -6.379 1.00 0.00 C ATOM 170 OG1 THR A 14 5.284 -5.682 -6.488 1.00 0.00 O ATOM 171 CG2 THR A 14 3.101 -5.534 -7.509 1.00 0.00 C ATOM 0 H THR A 14 4.977 -6.666 -4.077 1.00 0.00 H new ATOM 0 HA THR A 14 3.072 -4.674 -5.033 1.00 0.00 H new ATOM 0 HB THR A 14 3.896 -7.215 -6.459 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.395 -5.172 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.528 -5.830 -8.467 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.076 -5.899 -7.440 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.105 -4.447 -7.430 1.00 0.00 H new ATOM 179 N LEU A 15 0.988 -5.901 -4.492 1.00 0.00 N ATOM 180 CA LEU A 15 -0.268 -6.589 -4.209 1.00 0.00 C ATOM 181 C LEU A 15 -1.399 -6.030 -5.066 1.00 0.00 C ATOM 182 O LEU A 15 -1.703 -4.838 -5.012 1.00 0.00 O ATOM 183 CB LEU A 15 -0.622 -6.458 -2.727 1.00 0.00 C ATOM 184 CG LEU A 15 0.555 -6.487 -1.751 1.00 0.00 C ATOM 185 CD1 LEU A 15 0.246 -5.654 -0.517 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.888 -7.920 -1.360 1.00 0.00 C ATOM 0 H LEU A 15 0.920 -4.883 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.139 -7.644 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.163 -5.523 -2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.306 -7.265 -2.465 1.00 0.00 H new ATOM 0 HG LEU A 15 1.424 -6.055 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.095 -5.687 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.057 -4.622 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.636 -6.056 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.728 -7.922 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.021 -8.378 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.154 -8.488 -2.252 1.00 0.00 H new ATOM 198 N LYS A 16 -2.022 -6.899 -5.855 1.00 0.00 N ATOM 199 CA LYS A 16 -3.123 -6.495 -6.721 1.00 0.00 C ATOM 200 C LYS A 16 -4.306 -7.448 -6.578 1.00 0.00 C ATOM 201 O LYS A 16 -4.191 -8.640 -6.859 1.00 0.00 O ATOM 202 CB LYS A 16 -2.663 -6.452 -8.179 1.00 0.00 C ATOM 203 CG LYS A 16 -2.324 -7.818 -8.751 1.00 0.00 C ATOM 204 CD LYS A 16 -1.618 -7.702 -10.091 1.00 0.00 C ATOM 205 CE LYS A 16 -0.639 -8.847 -10.307 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.474 -9.171 -11.751 1.00 0.00 N ATOM 0 H LYS A 16 -1.783 -7.889 -5.912 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.443 -5.498 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.447 -5.998 -8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.787 -5.808 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.689 -8.360 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.237 -8.401 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.356 -7.697 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.086 -6.752 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.329 -8.582 -9.881 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.991 -9.731 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.200 -9.956 -11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.393 -9.448 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.114 -8.336 -12.255 1.00 0.00 H new ATOM 220 N GLU A 17 -5.441 -6.913 -6.140 1.00 0.00 N ATOM 221 CA GLU A 17 -6.645 -7.716 -5.961 1.00 0.00 C ATOM 222 C GLU A 17 -7.788 -7.183 -6.818 1.00 0.00 C ATOM 223 O GLU A 17 -7.686 -6.109 -7.413 1.00 0.00 O ATOM 224 CB GLU A 17 -7.061 -7.731 -4.488 1.00 0.00 C ATOM 225 CG GLU A 17 -7.968 -8.894 -4.124 1.00 0.00 C ATOM 226 CD GLU A 17 -7.498 -10.209 -4.714 1.00 0.00 C ATOM 227 OE1 GLU A 17 -6.270 -10.396 -4.844 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.358 -11.051 -5.046 1.00 0.00 O ATOM 0 H GLU A 17 -5.552 -5.927 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.421 -8.734 -6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.166 -7.771 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.571 -6.796 -4.253 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.018 -8.985 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.979 -8.684 -4.473 1.00 0.00 H new ATOM 235 N THR A 18 -8.879 -7.940 -6.878 1.00 0.00 N ATOM 236 CA THR A 18 -10.042 -7.546 -7.663 1.00 0.00 C ATOM 237 C THR A 18 -11.176 -7.067 -6.764 1.00 0.00 C ATOM 238 O THR A 18 -11.624 -7.791 -5.875 1.00 0.00 O ATOM 239 CB THR A 18 -10.550 -8.708 -8.537 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.450 -9.336 -9.205 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.557 -8.213 -9.564 1.00 0.00 C ATOM 0 H THR A 18 -8.981 -8.831 -6.392 1.00 0.00 H new ATOM 0 HA THR A 18 -9.724 -6.728 -8.309 1.00 0.00 H new ATOM 0 HB THR A 18 -11.042 -9.432 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.781 -10.075 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.901 -9.051 -10.169 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.407 -7.762 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.085 -7.470 -10.208 1.00 0.00 H new ATOM 249 N PHE A 19 -11.637 -5.844 -7.002 1.00 0.00 N ATOM 250 CA PHE A 19 -12.719 -5.268 -6.212 1.00 0.00 C ATOM 251 C PHE A 19 -14.036 -5.313 -6.982 1.00 0.00 C ATOM 252 O PHE A 19 -14.071 -5.078 -8.191 1.00 0.00 O ATOM 253 CB PHE A 19 -12.388 -3.824 -5.830 1.00 0.00 C ATOM 254 CG PHE A 19 -11.349 -3.713 -4.751 1.00 0.00 C ATOM 255 CD1 PHE A 19 -10.000 -3.741 -5.066 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.721 -3.581 -3.423 1.00 0.00 C ATOM 257 CE1 PHE A 19 -9.041 -3.640 -4.075 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.767 -3.479 -2.428 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.425 -3.508 -2.755 1.00 0.00 C ATOM 0 H PHE A 19 -11.278 -5.232 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.828 -5.860 -5.304 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.039 -3.293 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.299 -3.326 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.694 -3.843 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.769 -3.558 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.993 -3.664 -4.333 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.070 -3.377 -1.396 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.677 -3.428 -1.980 1.00 0.00 H new ATOM 269 N LEU A 20 -15.118 -5.616 -6.273 1.00 0.00 N ATOM 270 CA LEU A 20 -16.439 -5.693 -6.888 1.00 0.00 C ATOM 271 C LEU A 20 -17.077 -4.311 -6.982 1.00 0.00 C ATOM 272 O LEU A 20 -18.270 -4.146 -6.725 1.00 0.00 O ATOM 273 CB LEU A 20 -17.343 -6.631 -6.086 1.00 0.00 C ATOM 274 CG LEU A 20 -16.981 -8.116 -6.135 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.353 -8.712 -7.483 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.499 -8.313 -5.853 1.00 0.00 C ATOM 0 H LEU A 20 -15.107 -5.812 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.320 -6.088 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.334 -6.309 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.365 -6.515 -6.447 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.549 -8.635 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.088 -9.769 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.426 -8.604 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.813 -8.190 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.259 -9.376 -5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.912 -7.781 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.262 -7.924 -4.863 1.00 0.00 H new ATOM 288 N THR A 21 -16.274 -3.318 -7.355 1.00 0.00 N ATOM 289 CA THR A 21 -16.760 -1.950 -7.485 1.00 0.00 C ATOM 290 C THR A 21 -16.048 -1.219 -8.616 1.00 0.00 C ATOM 291 O THR A 21 -15.017 -1.675 -9.111 1.00 0.00 O ATOM 292 CB THR A 21 -16.568 -1.160 -6.177 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.290 0.075 -6.240 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.094 -0.880 -5.925 1.00 0.00 C ATOM 0 H THR A 21 -15.284 -3.436 -7.572 1.00 0.00 H new ATOM 0 HA THR A 21 -17.825 -2.012 -7.710 1.00 0.00 H new ATOM 0 HB THR A 21 -16.952 -1.763 -5.354 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.136 -0.016 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.984 -0.321 -4.996 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.553 -1.823 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.688 -0.295 -6.751 1.00 0.00 H new ATOM 302 N SER A 22 -16.603 -0.081 -9.021 1.00 0.00 N ATOM 303 CA SER A 22 -16.021 0.713 -10.098 1.00 0.00 C ATOM 304 C SER A 22 -14.860 1.558 -9.583 1.00 0.00 C ATOM 305 O SER A 22 -14.807 1.941 -8.414 1.00 0.00 O ATOM 306 CB SER A 22 -17.085 1.616 -10.726 1.00 0.00 C ATOM 307 OG SER A 22 -18.186 0.857 -11.193 1.00 0.00 O ATOM 0 H SER A 22 -17.455 0.312 -8.620 1.00 0.00 H new ATOM 0 HA SER A 22 -15.641 0.029 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 22 -17.427 2.345 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 22 -16.649 2.177 -11.553 1.00 0.00 H new ATOM 0 HG SER A 22 -18.853 1.457 -11.588 1.00 0.00 H new ATOM 313 N PRO A 23 -13.905 1.857 -10.477 1.00 0.00 N ATOM 314 CA PRO A 23 -12.727 2.660 -10.137 1.00 0.00 C ATOM 315 C PRO A 23 -13.091 3.931 -9.378 1.00 0.00 C ATOM 316 O PRO A 23 -12.702 4.108 -8.224 1.00 0.00 O ATOM 317 CB PRO A 23 -12.128 3.005 -11.503 1.00 0.00 C ATOM 318 CG PRO A 23 -12.579 1.907 -12.403 1.00 0.00 C ATOM 319 CD PRO A 23 -13.903 1.434 -11.887 1.00 0.00 C ATOM 0 HA PRO A 23 -12.043 2.123 -9.479 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.479 3.975 -11.855 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.040 3.057 -11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.670 2.262 -13.429 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.855 1.092 -12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.730 1.881 -12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.005 0.353 -11.980 1.00 0.00 H new ATOM 327 N GLU A 24 -13.838 4.813 -10.034 1.00 0.00 N ATOM 328 CA GLU A 24 -14.254 6.069 -9.420 1.00 0.00 C ATOM 329 C GLU A 24 -14.622 5.861 -7.953 1.00 0.00 C ATOM 330 O GLU A 24 -14.368 6.722 -7.112 1.00 0.00 O ATOM 331 CB GLU A 24 -15.444 6.663 -10.176 1.00 0.00 C ATOM 332 CG GLU A 24 -16.786 6.105 -9.734 1.00 0.00 C ATOM 333 CD GLU A 24 -17.922 6.524 -10.647 1.00 0.00 C ATOM 334 OE1 GLU A 24 -18.328 7.704 -10.584 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.404 5.674 -11.424 1.00 0.00 O ATOM 0 H GLU A 24 -14.168 4.681 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.416 6.764 -9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.447 7.744 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.316 6.477 -11.242 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.731 5.017 -9.705 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.998 6.441 -8.719 1.00 0.00 H new ATOM 342 N GLU A 25 -15.221 4.712 -7.656 1.00 0.00 N ATOM 343 CA GLU A 25 -15.625 4.392 -6.292 1.00 0.00 C ATOM 344 C GLU A 25 -14.406 4.204 -5.394 1.00 0.00 C ATOM 345 O GLU A 25 -14.132 5.026 -4.519 1.00 0.00 O ATOM 346 CB GLU A 25 -16.485 3.127 -6.275 1.00 0.00 C ATOM 347 CG GLU A 25 -17.505 3.100 -5.149 1.00 0.00 C ATOM 348 CD GLU A 25 -18.503 4.239 -5.237 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.751 4.725 -6.360 1.00 0.00 O ATOM 350 OE2 GLU A 25 -19.036 4.643 -4.182 1.00 0.00 O ATOM 0 H GLU A 25 -15.437 3.988 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.212 5.227 -5.909 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.006 3.039 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.835 2.257 -6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.040 2.151 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.985 3.150 -4.192 1.00 0.00 H new ATOM 357 N LEU A 26 -13.677 3.115 -5.616 1.00 0.00 N ATOM 358 CA LEU A 26 -12.487 2.817 -4.827 1.00 0.00 C ATOM 359 C LEU A 26 -11.519 3.995 -4.836 1.00 0.00 C ATOM 360 O LEU A 26 -10.691 4.138 -3.936 1.00 0.00 O ATOM 361 CB LEU A 26 -11.792 1.567 -5.370 1.00 0.00 C ATOM 362 CG LEU A 26 -10.782 0.901 -4.435 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.494 0.226 -3.273 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.930 -0.104 -5.197 1.00 0.00 C ATOM 0 H LEU A 26 -13.889 2.424 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.799 2.635 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.556 0.834 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.280 1.833 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.125 1.673 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.759 -0.242 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.059 0.970 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.175 -0.534 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.217 -0.568 -4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.572 -0.872 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.390 0.407 -5.994 1.00 0.00 H new ATOM 376 N TYR A 27 -11.630 4.838 -5.856 1.00 0.00 N ATOM 377 CA TYR A 27 -10.764 6.005 -5.982 1.00 0.00 C ATOM 378 C TYR A 27 -10.969 6.963 -4.813 1.00 0.00 C ATOM 379 O TYR A 27 -10.154 7.856 -4.578 1.00 0.00 O ATOM 380 CB TYR A 27 -11.035 6.728 -7.302 1.00 0.00 C ATOM 381 CG TYR A 27 -10.057 7.843 -7.594 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.696 7.677 -7.366 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.493 9.062 -8.097 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.799 8.693 -7.631 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.603 10.084 -8.366 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.257 9.894 -8.131 1.00 0.00 C ATOM 387 OH TYR A 27 -7.367 10.910 -8.396 1.00 0.00 O ATOM 0 H TYR A 27 -12.311 4.735 -6.608 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.730 5.661 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.001 6.004 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.045 7.138 -7.281 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.334 6.738 -6.975 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.546 9.214 -8.281 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.745 8.548 -7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.959 11.025 -8.758 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.731 10.617 -9.081 1.00 0.00 H new ATOM 397 N ARG A 28 -12.062 6.770 -4.082 1.00 0.00 N ATOM 398 CA ARG A 28 -12.375 7.617 -2.938 1.00 0.00 C ATOM 399 C ARG A 28 -11.894 6.976 -1.639 1.00 0.00 C ATOM 400 O ARG A 28 -11.152 7.587 -0.870 1.00 0.00 O ATOM 401 CB ARG A 28 -13.881 7.875 -2.864 1.00 0.00 C ATOM 402 CG ARG A 28 -14.556 7.935 -4.225 1.00 0.00 C ATOM 403 CD ARG A 28 -16.008 7.488 -4.147 1.00 0.00 C ATOM 404 NE ARG A 28 -16.904 8.594 -3.820 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.320 9.489 -4.709 1.00 0.00 C ATOM 406 NH1 ARG A 28 -16.922 9.410 -5.971 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.135 10.467 -4.335 1.00 0.00 N ATOM 0 H ARG A 28 -12.745 6.034 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.856 8.567 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.347 7.088 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.055 8.815 -2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.508 8.953 -4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.016 7.301 -4.928 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.305 7.051 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.107 6.706 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 28 -17.228 8.684 -2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.294 8.660 -6.262 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.243 10.099 -6.651 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.442 10.532 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.454 11.154 -5.018 1.00 0.00 H new ATOM 421 N VAL A 29 -12.322 5.741 -1.401 1.00 0.00 N ATOM 422 CA VAL A 29 -11.935 5.016 -0.197 1.00 0.00 C ATOM 423 C VAL A 29 -10.459 5.225 0.120 1.00 0.00 C ATOM 424 O VAL A 29 -10.040 5.128 1.273 1.00 0.00 O ATOM 425 CB VAL A 29 -12.211 3.507 -0.336 1.00 0.00 C ATOM 426 CG1 VAL A 29 -12.027 2.804 1.000 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.610 3.270 -0.885 1.00 0.00 C ATOM 0 H VAL A 29 -12.937 5.221 -2.027 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.538 5.414 0.619 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.493 3.088 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.226 1.739 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.004 2.945 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.719 3.223 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.788 2.199 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.345 3.703 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.700 3.738 -1.865 1.00 0.00 H new ATOM 437 N PHE A 30 -9.673 5.512 -0.913 1.00 0.00 N ATOM 438 CA PHE A 30 -8.242 5.735 -0.746 1.00 0.00 C ATOM 439 C PHE A 30 -7.923 7.227 -0.719 1.00 0.00 C ATOM 440 O PHE A 30 -6.916 7.648 -0.149 1.00 0.00 O ATOM 441 CB PHE A 30 -7.463 5.055 -1.875 1.00 0.00 C ATOM 442 CG PHE A 30 -7.326 3.570 -1.698 1.00 0.00 C ATOM 443 CD1 PHE A 30 -8.414 2.733 -1.885 1.00 0.00 C ATOM 444 CD2 PHE A 30 -6.108 3.011 -1.346 1.00 0.00 C ATOM 445 CE1 PHE A 30 -8.291 1.366 -1.724 1.00 0.00 C ATOM 446 CE2 PHE A 30 -5.978 1.645 -1.184 1.00 0.00 C ATOM 447 CZ PHE A 30 -7.071 0.821 -1.372 1.00 0.00 C ATOM 0 H PHE A 30 -10.003 5.595 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.941 5.300 0.207 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.963 5.255 -2.823 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.469 5.499 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.370 3.154 -2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.250 3.650 -1.197 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.147 0.725 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.023 1.222 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.972 -0.247 -1.244 1.00 0.00 H new ATOM 457 N THR A 31 -8.788 8.022 -1.341 1.00 0.00 N ATOM 458 CA THR A 31 -8.598 9.466 -1.390 1.00 0.00 C ATOM 459 C THR A 31 -9.654 10.188 -0.560 1.00 0.00 C ATOM 460 O THR A 31 -9.932 11.367 -0.780 1.00 0.00 O ATOM 461 CB THR A 31 -8.653 9.991 -2.838 1.00 0.00 C ATOM 462 OG1 THR A 31 -10.001 9.964 -3.318 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.768 9.155 -3.750 1.00 0.00 C ATOM 0 H THR A 31 -9.627 7.690 -1.818 1.00 0.00 H new ATOM 0 HA THR A 31 -7.611 9.669 -0.974 1.00 0.00 H new ATOM 0 HB THR A 31 -8.287 11.018 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.066 9.346 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.823 9.544 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.737 9.201 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.109 8.120 -3.739 1.00 0.00 H new ATOM 471 N THR A 32 -10.240 9.473 0.395 1.00 0.00 N ATOM 472 CA THR A 32 -11.266 10.045 1.258 1.00 0.00 C ATOM 473 C THR A 32 -11.078 9.601 2.704 1.00 0.00 C ATOM 474 O THR A 32 -11.367 8.456 3.053 1.00 0.00 O ATOM 475 CB THR A 32 -12.679 9.649 0.790 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.810 9.876 -0.618 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.739 10.442 1.538 1.00 0.00 C ATOM 0 H THR A 32 -10.021 8.496 0.590 1.00 0.00 H new ATOM 0 HA THR A 32 -11.162 11.128 1.197 1.00 0.00 H new ATOM 0 HB THR A 32 -12.825 8.590 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.627 10.388 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.728 10.145 1.190 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.655 10.244 2.607 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.594 11.507 1.354 1.00 0.00 H new ATOM 485 N GLN A 33 -10.593 10.513 3.541 1.00 0.00 N ATOM 486 CA GLN A 33 -10.368 10.213 4.950 1.00 0.00 C ATOM 487 C GLN A 33 -11.553 9.458 5.542 1.00 0.00 C ATOM 488 O GLN A 33 -11.418 8.315 5.976 1.00 0.00 O ATOM 489 CB GLN A 33 -10.126 11.503 5.735 1.00 0.00 C ATOM 490 CG GLN A 33 -9.983 11.286 7.232 1.00 0.00 C ATOM 491 CD GLN A 33 -9.693 12.571 7.983 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.476 13.621 7.378 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.687 12.494 9.309 1.00 0.00 N ATOM 0 H GLN A 33 -10.349 11.465 3.268 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.484 9.580 5.024 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.223 11.984 5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.953 12.190 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.900 10.842 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.180 10.572 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.872 11.603 9.769 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.497 13.326 9.867 1.00 0.00 H new ATOM 502 N GLU A 34 -12.714 10.105 5.556 1.00 0.00 N ATOM 503 CA GLU A 34 -13.923 9.494 6.097 1.00 0.00 C ATOM 504 C GLU A 34 -14.007 8.020 5.710 1.00 0.00 C ATOM 505 O GLU A 34 -14.021 7.140 6.571 1.00 0.00 O ATOM 506 CB GLU A 34 -15.164 10.236 5.596 1.00 0.00 C ATOM 507 CG GLU A 34 -16.471 9.569 5.989 1.00 0.00 C ATOM 508 CD GLU A 34 -17.676 10.454 5.739 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.990 10.708 4.557 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.305 10.894 6.724 1.00 0.00 O ATOM 0 H GLU A 34 -12.843 11.052 5.199 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.881 9.565 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.152 11.253 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.117 10.313 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.584 8.641 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.435 9.301 7.045 1.00 0.00 H new ATOM 517 N LEU A 35 -14.063 7.759 4.408 1.00 0.00 N ATOM 518 CA LEU A 35 -14.147 6.392 3.905 1.00 0.00 C ATOM 519 C LEU A 35 -13.086 5.508 4.553 1.00 0.00 C ATOM 520 O LEU A 35 -13.338 4.342 4.861 1.00 0.00 O ATOM 521 CB LEU A 35 -13.981 6.376 2.385 1.00 0.00 C ATOM 522 CG LEU A 35 -14.950 7.256 1.595 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.729 7.085 0.100 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.390 6.929 1.964 1.00 0.00 C ATOM 0 H LEU A 35 -14.052 8.476 3.682 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.130 5.996 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.964 6.686 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.090 5.348 2.038 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.757 8.297 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.428 7.719 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.707 7.370 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.893 6.043 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.066 7.565 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.596 5.883 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.541 7.104 3.029 1.00 0.00 H new ATOM 536 N VAL A 36 -11.900 6.070 4.761 1.00 0.00 N ATOM 537 CA VAL A 36 -10.802 5.334 5.376 1.00 0.00 C ATOM 538 C VAL A 36 -11.130 4.960 6.817 1.00 0.00 C ATOM 539 O VAL A 36 -10.979 3.806 7.218 1.00 0.00 O ATOM 540 CB VAL A 36 -9.496 6.152 5.354 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.315 5.283 5.759 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.273 6.762 3.978 1.00 0.00 C ATOM 0 H VAL A 36 -11.675 7.033 4.512 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.663 4.425 4.790 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.583 6.964 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.402 5.877 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.475 4.899 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.221 4.449 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.346 7.336 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.206 5.968 3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.107 7.420 3.732 1.00 0.00 H new ATOM 552 N GLN A 37 -11.580 5.943 7.590 1.00 0.00 N ATOM 553 CA GLN A 37 -11.929 5.716 8.987 1.00 0.00 C ATOM 554 C GLN A 37 -13.099 4.745 9.105 1.00 0.00 C ATOM 555 O GLN A 37 -13.498 4.370 10.207 1.00 0.00 O ATOM 556 CB GLN A 37 -12.279 7.040 9.669 1.00 0.00 C ATOM 557 CG GLN A 37 -11.096 7.702 10.357 1.00 0.00 C ATOM 558 CD GLN A 37 -11.440 9.064 10.927 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.596 10.051 10.052 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -11.564 9.228 12.141 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.711 6.903 7.273 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.064 5.277 9.484 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.686 7.725 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.064 6.864 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.739 7.056 11.159 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.278 7.807 9.644 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.435 8.442 12.778 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.795 10.150 12.510 1.00 0.00 H new ATOM 569 N ALA A 38 -13.644 4.342 7.962 1.00 0.00 N ATOM 570 CA ALA A 38 -14.767 3.413 7.937 1.00 0.00 C ATOM 571 C ALA A 38 -14.283 1.967 7.914 1.00 0.00 C ATOM 572 O ALA A 38 -14.737 1.137 8.703 1.00 0.00 O ATOM 573 CB ALA A 38 -15.657 3.693 6.736 1.00 0.00 C ATOM 0 H ALA A 38 -13.326 4.644 7.041 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.348 3.560 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.491 2.992 6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.040 4.712 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.079 3.576 5.819 1.00 0.00 H new ATOM 579 N PHE A 39 -13.361 1.671 7.005 1.00 0.00 N ATOM 580 CA PHE A 39 -12.816 0.324 6.878 1.00 0.00 C ATOM 581 C PHE A 39 -11.633 0.125 7.819 1.00 0.00 C ATOM 582 O PHE A 39 -11.119 -0.985 7.964 1.00 0.00 O ATOM 583 CB PHE A 39 -12.384 0.060 5.434 1.00 0.00 C ATOM 584 CG PHE A 39 -11.096 0.736 5.061 1.00 0.00 C ATOM 585 CD1 PHE A 39 -9.888 0.282 5.565 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.093 1.826 4.205 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.701 0.902 5.224 1.00 0.00 C ATOM 588 CE2 PHE A 39 -9.909 2.451 3.860 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.712 1.987 4.369 1.00 0.00 C ATOM 0 H PHE A 39 -12.975 2.346 6.345 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.598 -0.385 7.151 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.277 -1.015 5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.171 0.398 4.760 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.874 -0.567 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.026 2.191 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.766 0.539 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.920 3.301 3.194 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.786 2.472 4.099 1.00 0.00 H new ATOM 599 N THR A 40 -11.203 1.209 8.459 1.00 0.00 N ATOM 600 CA THR A 40 -10.080 1.155 9.385 1.00 0.00 C ATOM 601 C THR A 40 -10.551 1.286 10.829 1.00 0.00 C ATOM 602 O THR A 40 -9.812 0.976 11.764 1.00 0.00 O ATOM 603 CB THR A 40 -9.054 2.266 9.089 1.00 0.00 C ATOM 604 OG1 THR A 40 -9.669 3.551 9.231 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.489 2.121 7.684 1.00 0.00 C ATOM 0 H THR A 40 -11.617 2.135 8.352 1.00 0.00 H new ATOM 0 HA THR A 40 -9.604 0.184 9.248 1.00 0.00 H new ATOM 0 HB THR A 40 -8.236 2.174 9.803 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.457 3.603 8.650 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.767 2.916 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.996 1.154 7.588 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.299 2.189 6.957 1.00 0.00 H new ATOM 613 N HIS A 41 -11.786 1.745 11.004 1.00 0.00 N ATOM 614 CA HIS A 41 -12.356 1.915 12.336 1.00 0.00 C ATOM 615 C HIS A 41 -11.307 2.435 13.314 1.00 0.00 C ATOM 616 O HIS A 41 -11.240 1.993 14.461 1.00 0.00 O ATOM 617 CB HIS A 41 -12.929 0.591 12.841 1.00 0.00 C ATOM 618 CG HIS A 41 -14.066 0.075 12.013 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.347 0.576 12.100 1.00 0.00 N ATOM 620 CD2 HIS A 41 -14.107 -0.902 11.077 1.00 0.00 C ATOM 621 CE1 HIS A 41 -16.129 -0.072 11.254 1.00 0.00 C ATOM 622 NE2 HIS A 41 -15.400 -0.973 10.621 1.00 0.00 N ATOM 0 H HIS A 41 -12.411 2.006 10.241 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.160 2.648 12.269 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.135 -0.156 12.859 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.268 0.720 13.869 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.278 -1.512 10.750 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -17.184 0.105 11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.742 -1.618 9.908 1.00 0.00 H new ATOM 631 N ALA A 42 -10.490 3.376 12.853 1.00 0.00 N ATOM 632 CA ALA A 42 -9.445 3.957 13.687 1.00 0.00 C ATOM 633 C ALA A 42 -9.119 5.380 13.247 1.00 0.00 C ATOM 634 O ALA A 42 -9.277 5.747 12.083 1.00 0.00 O ATOM 635 CB ALA A 42 -8.195 3.090 13.647 1.00 0.00 C ATOM 0 H ALA A 42 -10.532 3.753 11.906 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.813 3.997 14.712 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.423 3.536 14.274 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.432 2.093 14.017 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.833 3.020 12.621 1.00 0.00 H new ATOM 641 N PRO A 43 -8.653 6.202 14.199 1.00 0.00 N ATOM 642 CA PRO A 43 -8.295 7.599 13.934 1.00 0.00 C ATOM 643 C PRO A 43 -7.415 7.746 12.697 1.00 0.00 C ATOM 644 O PRO A 43 -6.190 7.680 12.784 1.00 0.00 O ATOM 645 CB PRO A 43 -7.526 8.013 15.190 1.00 0.00 C ATOM 646 CG PRO A 43 -8.044 7.119 16.263 1.00 0.00 C ATOM 647 CD PRO A 43 -8.440 5.832 15.608 1.00 0.00 C ATOM 0 HA PRO A 43 -9.172 8.214 13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.452 7.889 15.055 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.698 9.062 15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.281 6.946 17.023 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.897 7.574 16.766 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.661 5.076 15.709 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.345 5.419 16.054 1.00 0.00 H new ATOM 655 N ALA A 44 -8.049 7.947 11.546 1.00 0.00 N ATOM 656 CA ALA A 44 -7.323 8.107 10.292 1.00 0.00 C ATOM 657 C ALA A 44 -7.493 9.516 9.735 1.00 0.00 C ATOM 658 O ALA A 44 -8.586 10.084 9.774 1.00 0.00 O ATOM 659 CB ALA A 44 -7.792 7.076 9.276 1.00 0.00 C ATOM 0 H ALA A 44 -9.064 8.003 11.456 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.263 7.949 10.492 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.242 7.207 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.613 6.074 9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.858 7.208 9.089 1.00 0.00 H new ATOM 665 N THR A 45 -6.405 10.078 9.217 1.00 0.00 N ATOM 666 CA THR A 45 -6.434 11.422 8.654 1.00 0.00 C ATOM 667 C THR A 45 -5.892 11.432 7.229 1.00 0.00 C ATOM 668 O THR A 45 -4.679 11.429 7.015 1.00 0.00 O ATOM 669 CB THR A 45 -5.615 12.407 9.509 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.252 12.602 10.777 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.465 13.745 8.800 1.00 0.00 C ATOM 0 H THR A 45 -5.493 9.623 9.176 1.00 0.00 H new ATOM 0 HA THR A 45 -7.477 11.739 8.646 1.00 0.00 H new ATOM 0 HB THR A 45 -4.623 11.982 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.724 13.228 11.315 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.883 14.424 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.954 13.597 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.451 14.174 8.619 1.00 0.00 H new ATOM 679 N LEU A 46 -6.797 11.446 6.257 1.00 0.00 N ATOM 680 CA LEU A 46 -6.410 11.458 4.850 1.00 0.00 C ATOM 681 C LEU A 46 -6.677 12.823 4.224 1.00 0.00 C ATOM 682 O LEU A 46 -7.708 13.443 4.481 1.00 0.00 O ATOM 683 CB LEU A 46 -7.169 10.374 4.083 1.00 0.00 C ATOM 684 CG LEU A 46 -6.501 9.863 2.806 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.780 8.381 2.614 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.979 10.658 1.599 1.00 0.00 C ATOM 0 H LEU A 46 -7.804 11.449 6.417 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.341 11.255 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.326 9.527 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.154 10.763 3.824 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.424 10.000 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.297 8.035 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.388 7.824 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.855 8.220 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.493 10.281 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.059 10.554 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.727 11.710 1.733 1.00 0.00 H new ATOM 698 N GLU A 47 -5.742 13.283 3.399 1.00 0.00 N ATOM 699 CA GLU A 47 -5.878 14.574 2.734 1.00 0.00 C ATOM 700 C GLU A 47 -5.595 14.449 1.240 1.00 0.00 C ATOM 701 O GLU A 47 -4.441 14.475 0.812 1.00 0.00 O ATOM 702 CB GLU A 47 -4.928 15.597 3.361 1.00 0.00 C ATOM 703 CG GLU A 47 -5.246 15.914 4.812 1.00 0.00 C ATOM 704 CD GLU A 47 -4.844 17.323 5.204 1.00 0.00 C ATOM 705 OE1 GLU A 47 -4.959 18.231 4.354 1.00 0.00 O ATOM 706 OE2 GLU A 47 -4.415 17.517 6.360 1.00 0.00 O ATOM 0 H GLU A 47 -4.883 12.781 3.175 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.905 14.915 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.907 15.220 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.965 16.519 2.780 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.315 15.785 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.732 15.201 5.457 1.00 0.00 H new ATOM 713 N ALA A 48 -6.656 14.313 0.452 1.00 0.00 N ATOM 714 CA ALA A 48 -6.523 14.185 -0.994 1.00 0.00 C ATOM 715 C ALA A 48 -5.877 15.428 -1.597 1.00 0.00 C ATOM 716 O ALA A 48 -6.553 16.420 -1.869 1.00 0.00 O ATOM 717 CB ALA A 48 -7.883 13.934 -1.629 1.00 0.00 C ATOM 0 H ALA A 48 -7.618 14.289 0.791 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.875 13.333 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.769 13.840 -2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.307 13.014 -1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.548 14.768 -1.405 1.00 0.00 H new ATOM 723 N ASP A 49 -4.566 15.367 -1.803 1.00 0.00 N ATOM 724 CA ASP A 49 -3.829 16.488 -2.375 1.00 0.00 C ATOM 725 C ASP A 49 -2.373 16.109 -2.625 1.00 0.00 C ATOM 726 O ASP A 49 -1.789 15.321 -1.881 1.00 0.00 O ATOM 727 CB ASP A 49 -3.901 17.701 -1.446 1.00 0.00 C ATOM 728 CG ASP A 49 -3.844 19.013 -2.202 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.641 19.189 -3.148 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.004 19.866 -1.847 1.00 0.00 O ATOM 0 H ASP A 49 -3.992 14.553 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.289 16.744 -3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.824 17.658 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.077 17.659 -0.734 1.00 0.00 H new ATOM 735 N ARG A 50 -1.792 16.675 -3.678 1.00 0.00 N ATOM 736 CA ARG A 50 -0.405 16.395 -4.028 1.00 0.00 C ATOM 737 C ARG A 50 0.534 16.798 -2.894 1.00 0.00 C ATOM 738 O ARG A 50 0.899 17.965 -2.762 1.00 0.00 O ATOM 739 CB ARG A 50 -0.020 17.136 -5.310 1.00 0.00 C ATOM 740 CG ARG A 50 -0.354 16.369 -6.580 1.00 0.00 C ATOM 741 CD ARG A 50 0.574 16.751 -7.722 1.00 0.00 C ATOM 742 NE ARG A 50 -0.055 16.562 -9.026 1.00 0.00 N ATOM 743 CZ ARG A 50 -0.962 17.391 -9.531 1.00 0.00 C ATOM 744 NH1 ARG A 50 -1.343 18.460 -8.845 1.00 0.00 N ATOM 745 NH2 ARG A 50 -1.490 17.152 -10.725 1.00 0.00 N ATOM 0 H ARG A 50 -2.261 17.330 -4.304 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.308 15.322 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.532 18.098 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.050 17.344 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.278 15.298 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.387 16.569 -6.866 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.874 17.793 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.482 16.151 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 50 0.217 15.749 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.939 18.647 -7.927 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.040 19.095 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.200 16.331 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.186 17.789 -11.112 1.00 0.00 H new ATOM 759 N GLY A 51 0.920 15.822 -2.077 1.00 0.00 N ATOM 760 CA GLY A 51 1.811 16.096 -0.965 1.00 0.00 C ATOM 761 C GLY A 51 1.116 15.980 0.377 1.00 0.00 C ATOM 762 O GLY A 51 1.752 16.088 1.424 1.00 0.00 O ATOM 0 H GLY A 51 0.632 14.848 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.651 15.402 -0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.223 17.100 -1.072 1.00 0.00 H new ATOM 766 N GLY A 52 -0.195 15.760 0.346 1.00 0.00 N ATOM 767 CA GLY A 52 -0.955 15.635 1.576 1.00 0.00 C ATOM 768 C GLY A 52 -0.468 14.493 2.445 1.00 0.00 C ATOM 769 O GLY A 52 0.428 13.744 2.055 1.00 0.00 O ATOM 0 H GLY A 52 -0.744 15.666 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.889 16.568 2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.007 15.481 1.335 1.00 0.00 H new ATOM 773 N LYS A 53 -1.058 14.359 3.628 1.00 0.00 N ATOM 774 CA LYS A 53 -0.679 13.300 4.556 1.00 0.00 C ATOM 775 C LYS A 53 -1.861 12.379 4.843 1.00 0.00 C ATOM 776 O LYS A 53 -2.972 12.842 5.106 1.00 0.00 O ATOM 777 CB LYS A 53 -0.160 13.902 5.864 1.00 0.00 C ATOM 778 CG LYS A 53 1.340 14.145 5.868 1.00 0.00 C ATOM 779 CD LYS A 53 1.754 15.092 4.753 1.00 0.00 C ATOM 780 CE LYS A 53 3.084 15.763 5.058 1.00 0.00 C ATOM 781 NZ LYS A 53 2.941 16.841 6.075 1.00 0.00 N ATOM 0 H LYS A 53 -1.801 14.971 3.967 1.00 0.00 H new ATOM 0 HA LYS A 53 0.114 12.712 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.673 14.846 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.414 13.235 6.688 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.640 14.561 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.864 13.196 5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.830 14.541 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.985 15.852 4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.793 15.017 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.498 16.182 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.826 17.384 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.163 17.475 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.734 16.418 7.002 1.00 0.00 H new ATOM 795 N PHE A 54 -1.615 11.074 4.790 1.00 0.00 N ATOM 796 CA PHE A 54 -2.659 10.089 5.045 1.00 0.00 C ATOM 797 C PHE A 54 -2.275 9.176 6.206 1.00 0.00 C ATOM 798 O PHE A 54 -1.315 8.410 6.116 1.00 0.00 O ATOM 799 CB PHE A 54 -2.918 9.253 3.789 1.00 0.00 C ATOM 800 CG PHE A 54 -1.891 8.182 3.560 1.00 0.00 C ATOM 801 CD1 PHE A 54 -2.029 6.934 4.147 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.788 8.422 2.757 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.086 5.946 3.938 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.158 7.437 2.543 1.00 0.00 C ATOM 805 CZ PHE A 54 0.010 6.198 3.136 1.00 0.00 C ATOM 0 H PHE A 54 -0.702 10.674 4.573 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.570 10.624 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.902 8.791 3.866 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.943 9.913 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.884 6.731 4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.666 9.390 2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.206 4.978 4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.012 7.636 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.750 5.428 2.973 1.00 0.00 H new ATOM 815 N HIS A 55 -3.030 9.265 7.296 1.00 0.00 N ATOM 816 CA HIS A 55 -2.769 8.448 8.476 1.00 0.00 C ATOM 817 C HIS A 55 -3.928 7.491 8.741 1.00 0.00 C ATOM 818 O HIS A 55 -5.094 7.871 8.642 1.00 0.00 O ATOM 819 CB HIS A 55 -2.538 9.338 9.697 1.00 0.00 C ATOM 820 CG HIS A 55 -1.509 8.801 10.643 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.000 7.523 10.555 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.891 9.378 11.701 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.115 7.336 11.519 1.00 0.00 C ATOM 824 NE2 HIS A 55 -0.030 8.447 12.228 1.00 0.00 N ATOM 0 H HIS A 55 -3.827 9.894 7.387 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.870 7.860 8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.230 10.328 9.362 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.481 9.461 10.230 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.265 6.830 9.855 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.046 10.384 12.063 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.444 6.429 11.697 1.00 0.00 H new ATOM 833 N MET A 56 -3.597 6.249 9.077 1.00 0.00 N ATOM 834 CA MET A 56 -4.611 5.238 9.356 1.00 0.00 C ATOM 835 C MET A 56 -4.125 4.262 10.424 1.00 0.00 C ATOM 836 O MET A 56 -2.993 4.357 10.897 1.00 0.00 O ATOM 837 CB MET A 56 -4.968 4.477 8.078 1.00 0.00 C ATOM 838 CG MET A 56 -3.843 4.440 7.057 1.00 0.00 C ATOM 839 SD MET A 56 -3.800 2.897 6.125 1.00 0.00 S ATOM 840 CE MET A 56 -5.414 2.926 5.349 1.00 0.00 C ATOM 0 H MET A 56 -2.636 5.918 9.163 1.00 0.00 H new ATOM 0 HA MET A 56 -5.501 5.745 9.729 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.244 3.455 8.339 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.845 4.938 7.623 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.958 5.274 6.365 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.890 4.578 7.567 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.345 2.498 4.349 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.115 2.343 5.946 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.766 3.955 5.279 1.00 0.00 H new ATOM 850 N VAL A 57 -4.990 3.325 10.799 1.00 0.00 N ATOM 851 CA VAL A 57 -4.649 2.331 11.810 1.00 0.00 C ATOM 852 C VAL A 57 -4.393 2.988 13.162 1.00 0.00 C ATOM 853 O VAL A 57 -3.485 2.594 13.893 1.00 0.00 O ATOM 854 CB VAL A 57 -3.404 1.520 11.402 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.182 0.364 12.366 1.00 0.00 C ATOM 856 CG2 VAL A 57 -3.542 1.015 9.974 1.00 0.00 C ATOM 0 H VAL A 57 -5.932 3.233 10.418 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.502 1.657 11.892 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.533 2.174 11.449 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.299 -0.198 12.063 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.036 0.753 13.374 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.052 -0.293 12.353 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.654 0.444 9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.422 0.376 9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.650 1.863 9.297 1.00 0.00 H new ATOM 866 N ASP A 58 -5.200 3.992 13.487 1.00 0.00 N ATOM 867 CA ASP A 58 -5.063 4.703 14.753 1.00 0.00 C ATOM 868 C ASP A 58 -3.734 5.450 14.815 1.00 0.00 C ATOM 869 O ASP A 58 -3.060 5.454 15.844 1.00 0.00 O ATOM 870 CB ASP A 58 -5.169 3.727 15.926 1.00 0.00 C ATOM 871 CG ASP A 58 -5.733 4.379 17.172 1.00 0.00 C ATOM 872 OD1 ASP A 58 -5.399 5.555 17.431 1.00 0.00 O ATOM 873 OD2 ASP A 58 -6.510 3.715 17.889 1.00 0.00 O ATOM 0 H ASP A 58 -5.955 4.332 12.892 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.872 5.430 14.822 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.803 2.887 15.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.182 3.321 16.147 1.00 0.00 H new ATOM 878 N GLY A 59 -3.363 6.081 13.705 1.00 0.00 N ATOM 879 CA GLY A 59 -2.116 6.822 13.654 1.00 0.00 C ATOM 880 C GLY A 59 -0.902 5.915 13.684 1.00 0.00 C ATOM 881 O GLY A 59 0.131 6.269 14.250 1.00 0.00 O ATOM 0 H GLY A 59 -3.904 6.092 12.840 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.092 7.426 12.747 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.072 7.511 14.497 1.00 0.00 H new ATOM 885 N ASN A 60 -1.027 4.740 13.074 1.00 0.00 N ATOM 886 CA ASN A 60 0.069 3.779 13.036 1.00 0.00 C ATOM 887 C ASN A 60 0.709 3.739 11.651 1.00 0.00 C ATOM 888 O ASN A 60 1.881 3.390 11.507 1.00 0.00 O ATOM 889 CB ASN A 60 -0.434 2.385 13.417 1.00 0.00 C ATOM 890 CG ASN A 60 -0.356 2.131 14.910 1.00 0.00 C ATOM 891 OD1 ASN A 60 0.631 1.590 15.408 1.00 0.00 O ATOM 892 ND2 ASN A 60 -1.401 2.521 15.632 1.00 0.00 N ATOM 0 H ASN A 60 -1.876 4.431 12.600 1.00 0.00 H new ATOM 0 HA ASN A 60 0.823 4.096 13.757 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.466 2.271 13.085 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.155 1.633 12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.406 2.376 16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.198 2.966 15.177 1.00 0.00 H new ATOM 899 N VAL A 61 -0.068 4.100 10.635 1.00 0.00 N ATOM 900 CA VAL A 61 0.423 4.107 9.262 1.00 0.00 C ATOM 901 C VAL A 61 0.218 5.471 8.613 1.00 0.00 C ATOM 902 O VAL A 61 -0.914 5.912 8.415 1.00 0.00 O ATOM 903 CB VAL A 61 -0.279 3.034 8.409 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.170 3.127 6.959 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.009 1.647 8.972 1.00 0.00 C ATOM 0 H VAL A 61 -1.040 4.391 10.737 1.00 0.00 H new ATOM 0 HA VAL A 61 1.489 3.885 9.306 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.354 3.212 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.336 2.361 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.079 4.112 6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.248 2.975 6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.512 0.901 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.064 1.456 8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.385 1.589 9.993 1.00 0.00 H new ATOM 915 N SER A 62 1.321 6.135 8.282 1.00 0.00 N ATOM 916 CA SER A 62 1.262 7.452 7.657 1.00 0.00 C ATOM 917 C SER A 62 1.975 7.445 6.308 1.00 0.00 C ATOM 918 O SER A 62 2.543 6.433 5.899 1.00 0.00 O ATOM 919 CB SER A 62 1.891 8.503 8.574 1.00 0.00 C ATOM 920 OG SER A 62 3.276 8.261 8.752 1.00 0.00 O ATOM 0 H SER A 62 2.266 5.783 8.436 1.00 0.00 H new ATOM 0 HA SER A 62 0.214 7.703 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.744 9.496 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.389 8.493 9.542 1.00 0.00 H new ATOM 0 HG SER A 62 3.655 8.947 9.340 1.00 0.00 H new ATOM 926 N GLY A 63 1.941 8.583 5.622 1.00 0.00 N ATOM 927 CA GLY A 63 2.586 8.688 4.326 1.00 0.00 C ATOM 928 C GLY A 63 2.428 10.063 3.709 1.00 0.00 C ATOM 929 O GLY A 63 2.100 11.026 4.401 1.00 0.00 O ATOM 0 H GLY A 63 1.478 9.434 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.647 8.461 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.166 7.941 3.653 1.00 0.00 H new ATOM 933 N GLU A 64 2.664 10.155 2.404 1.00 0.00 N ATOM 934 CA GLU A 64 2.548 11.425 1.696 1.00 0.00 C ATOM 935 C GLU A 64 2.208 11.198 0.226 1.00 0.00 C ATOM 936 O GLU A 64 2.783 10.328 -0.429 1.00 0.00 O ATOM 937 CB GLU A 64 3.850 12.220 1.813 1.00 0.00 C ATOM 938 CG GLU A 64 4.834 11.945 0.688 1.00 0.00 C ATOM 939 CD GLU A 64 6.042 12.861 0.733 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.526 13.150 1.848 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.503 13.289 -0.346 1.00 0.00 O ATOM 0 H GLU A 64 2.936 9.367 1.816 1.00 0.00 H new ATOM 0 HA GLU A 64 1.740 11.996 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.616 13.284 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.325 11.985 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.166 10.908 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.328 12.064 -0.270 1.00 0.00 H new ATOM 948 N PHE A 65 1.270 11.987 -0.287 1.00 0.00 N ATOM 949 CA PHE A 65 0.851 11.872 -1.679 1.00 0.00 C ATOM 950 C PHE A 65 1.856 12.549 -2.607 1.00 0.00 C ATOM 951 O PHE A 65 2.136 13.741 -2.475 1.00 0.00 O ATOM 952 CB PHE A 65 -0.535 12.492 -1.870 1.00 0.00 C ATOM 953 CG PHE A 65 -1.655 11.618 -1.385 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.483 10.797 -0.282 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.880 11.616 -2.032 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.512 9.991 0.167 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.913 10.812 -1.587 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.728 9.998 -0.487 1.00 0.00 C ATOM 0 H PHE A 65 0.785 12.713 0.240 1.00 0.00 H new ATOM 0 HA PHE A 65 0.805 10.813 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.574 13.445 -1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.685 12.707 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.534 10.787 0.233 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.030 12.250 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.365 9.356 1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.864 10.821 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.533 9.368 -0.139 1.00 0.00 H new ATOM 968 N THR A 66 2.396 11.779 -3.547 1.00 0.00 N ATOM 969 CA THR A 66 3.371 12.302 -4.496 1.00 0.00 C ATOM 970 C THR A 66 2.728 12.574 -5.851 1.00 0.00 C ATOM 971 O THR A 66 3.075 13.539 -6.531 1.00 0.00 O ATOM 972 CB THR A 66 4.549 11.328 -4.685 1.00 0.00 C ATOM 973 OG1 THR A 66 4.078 10.090 -5.231 1.00 0.00 O ATOM 974 CG2 THR A 66 5.255 11.069 -3.363 1.00 0.00 C ATOM 0 H THR A 66 2.174 10.791 -3.671 1.00 0.00 H new ATOM 0 HA THR A 66 3.746 13.237 -4.081 1.00 0.00 H new ATOM 0 HB THR A 66 5.260 11.782 -5.375 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.109 10.021 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.083 10.378 -3.522 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.638 12.009 -2.965 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.551 10.634 -2.654 1.00 0.00 H new ATOM 982 N ASP A 67 1.788 11.717 -6.237 1.00 0.00 N ATOM 983 CA ASP A 67 1.095 11.866 -7.511 1.00 0.00 C ATOM 984 C ASP A 67 -0.371 11.466 -7.382 1.00 0.00 C ATOM 985 O ASP A 67 -0.714 10.559 -6.623 1.00 0.00 O ATOM 986 CB ASP A 67 1.775 11.019 -8.588 1.00 0.00 C ATOM 987 CG ASP A 67 1.632 11.620 -9.973 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.567 12.207 -10.258 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.585 11.502 -10.772 1.00 0.00 O ATOM 0 H ASP A 67 1.489 10.913 -5.686 1.00 0.00 H new ATOM 0 HA ASP A 67 1.142 12.915 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.833 10.913 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.345 10.017 -8.584 1.00 0.00 H new ATOM 994 N LEU A 68 -1.234 12.149 -8.127 1.00 0.00 N ATOM 995 CA LEU A 68 -2.664 11.866 -8.095 1.00 0.00 C ATOM 996 C LEU A 68 -3.287 12.054 -9.475 1.00 0.00 C ATOM 997 O LEU A 68 -3.395 13.175 -9.972 1.00 0.00 O ATOM 998 CB LEU A 68 -3.362 12.774 -7.080 1.00 0.00 C ATOM 999 CG LEU A 68 -2.981 12.559 -5.615 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.535 13.681 -4.750 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.483 11.208 -5.126 1.00 0.00 C ATOM 0 H LEU A 68 -0.968 12.903 -8.761 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.797 10.827 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.148 13.810 -7.342 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.439 12.636 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.894 12.570 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.254 13.512 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.127 14.634 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.622 13.702 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.203 11.072 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.568 11.168 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.038 10.415 -5.727 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.698 10.948 -10.088 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.314 10.991 -11.409 1.00 0.00 C ATOM 1015 C VAL A 69 -5.786 10.601 -11.342 1.00 0.00 C ATOM 1016 O VAL A 69 -6.176 9.670 -10.636 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.591 10.055 -12.396 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -4.082 10.293 -13.815 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -2.085 10.247 -12.305 1.00 0.00 C ATOM 0 H VAL A 69 -3.616 10.012 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.229 12.018 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.820 9.024 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.560 9.623 -14.498 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.154 10.101 -13.866 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.885 11.327 -14.100 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.590 9.578 -13.009 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.835 11.280 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.750 10.021 -11.293 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.626 11.328 -12.094 1.00 0.00 N ATOM 1030 CA PRO A 70 -8.069 11.076 -12.138 1.00 0.00 C ATOM 1031 C PRO A 70 -8.394 9.600 -12.343 1.00 0.00 C ATOM 1032 O PRO A 70 -8.129 9.039 -13.406 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.537 11.898 -13.341 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.533 12.992 -13.465 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.231 12.452 -12.959 1.00 0.00 C ATOM 0 HA PRO A 70 -8.558 11.348 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.574 11.291 -14.245 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.539 12.296 -13.183 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.440 13.314 -14.502 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.839 13.864 -12.887 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.591 12.121 -13.777 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.674 13.207 -12.404 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.970 8.977 -11.319 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.330 7.566 -11.389 1.00 0.00 C ATOM 1045 C GLU A 71 -8.381 6.807 -12.311 1.00 0.00 C ATOM 1046 O GLU A 71 -8.813 6.046 -13.177 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.771 7.408 -11.880 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.766 8.285 -11.138 1.00 0.00 C ATOM 1049 CD GLU A 71 -13.148 8.255 -11.763 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.469 7.261 -12.447 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.908 9.227 -11.566 1.00 0.00 O ATOM 0 H GLU A 71 -9.197 9.427 -10.432 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.247 7.147 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.812 7.646 -12.943 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.070 6.365 -11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.833 7.956 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.400 9.312 -11.123 1.00 0.00 H new ATOM 1058 N LYS A 72 -7.083 7.021 -12.120 1.00 0.00 N ATOM 1059 CA LYS A 72 -6.070 6.358 -12.933 1.00 0.00 C ATOM 1060 C LYS A 72 -5.058 5.630 -12.054 1.00 0.00 C ATOM 1061 O LYS A 72 -4.882 4.416 -12.167 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.352 7.377 -13.821 1.00 0.00 C ATOM 1063 CG LYS A 72 -6.084 7.677 -15.117 1.00 0.00 C ATOM 1064 CD LYS A 72 -5.114 7.963 -16.251 1.00 0.00 C ATOM 1065 CE LYS A 72 -5.606 7.379 -17.567 1.00 0.00 C ATOM 1066 NZ LYS A 72 -5.093 8.141 -18.739 1.00 0.00 N ATOM 0 H LYS A 72 -6.708 7.649 -11.409 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.570 5.624 -13.565 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.223 8.305 -13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.355 7.004 -14.055 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.717 6.830 -15.383 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.742 8.534 -14.975 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.983 9.040 -16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.137 7.545 -16.009 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.289 6.339 -17.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.696 7.382 -17.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.451 7.711 -19.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.416 9.128 -18.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.053 8.117 -18.741 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.396 6.379 -11.178 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.402 5.804 -10.278 1.00 0.00 C ATOM 1082 C HIS A 73 -3.055 6.779 -9.157 1.00 0.00 C ATOM 1083 O HIS A 73 -3.333 7.975 -9.255 1.00 0.00 O ATOM 1084 CB HIS A 73 -2.138 5.428 -11.052 1.00 0.00 C ATOM 1085 CG HIS A 73 -1.025 6.417 -10.898 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.046 7.768 -10.816 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.302 6.050 -10.811 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.255 8.188 -10.681 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.048 7.132 -10.681 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.530 7.385 -11.072 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.828 4.904 -9.834 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.793 4.450 -10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.384 5.333 -12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.673 5.036 -10.844 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.577 9.215 -10.590 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.064 7.149 -10.595 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.448 6.261 -8.095 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.063 7.087 -6.957 1.00 0.00 C ATOM 1100 C ILE A 74 -0.711 6.657 -6.398 1.00 0.00 C ATOM 1101 O ILE A 74 -0.502 5.486 -6.081 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.114 7.022 -5.834 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.474 7.498 -6.350 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.670 7.859 -4.644 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.613 7.221 -5.395 1.00 0.00 C ATOM 0 H ILE A 74 -2.212 5.273 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.994 8.112 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.213 5.987 -5.508 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.425 8.570 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.683 7.011 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.423 7.803 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.722 7.478 -4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.546 8.896 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.546 7.585 -5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.688 6.148 -5.220 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.427 7.730 -4.449 1.00 0.00 H new ATOM 1117 N VAL A 75 0.205 7.613 -6.279 1.00 0.00 N ATOM 1118 CA VAL A 75 1.537 7.335 -5.755 1.00 0.00 C ATOM 1119 C VAL A 75 1.776 8.070 -4.442 1.00 0.00 C ATOM 1120 O VAL A 75 1.678 9.296 -4.378 1.00 0.00 O ATOM 1121 CB VAL A 75 2.631 7.736 -6.762 1.00 0.00 C ATOM 1122 CG1 VAL A 75 3.948 7.055 -6.420 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.199 7.397 -8.181 1.00 0.00 C ATOM 0 H VAL A 75 0.049 8.587 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 75 1.590 6.260 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 75 2.780 8.814 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.709 7.350 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.262 7.353 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.817 5.973 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.984 7.687 -8.879 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.021 6.325 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.283 7.936 -8.421 1.00 0.00 H new ATOM 1133 N MET A 76 2.089 7.314 -3.395 1.00 0.00 N ATOM 1134 CA MET A 76 2.344 7.895 -2.082 1.00 0.00 C ATOM 1135 C MET A 76 3.307 7.026 -1.280 1.00 0.00 C ATOM 1136 O MET A 76 3.698 5.945 -1.721 1.00 0.00 O ATOM 1137 CB MET A 76 1.032 8.067 -1.313 1.00 0.00 C ATOM 1138 CG MET A 76 0.500 6.770 -0.724 1.00 0.00 C ATOM 1139 SD MET A 76 -1.281 6.814 -0.446 1.00 0.00 S ATOM 1140 CE MET A 76 -1.752 5.181 -1.009 1.00 0.00 C ATOM 0 H MET A 76 2.172 6.298 -3.430 1.00 0.00 H new ATOM 0 HA MET A 76 2.802 8.873 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.183 8.787 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.281 8.488 -1.981 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.739 5.945 -1.396 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.007 6.569 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.829 5.055 -0.900 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.477 5.064 -2.057 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.237 4.428 -0.413 1.00 0.00 H new ATOM 1150 N LYS A 77 3.687 7.504 -0.100 1.00 0.00 N ATOM 1151 CA LYS A 77 4.604 6.771 0.765 1.00 0.00 C ATOM 1152 C LYS A 77 3.838 5.935 1.785 1.00 0.00 C ATOM 1153 O LYS A 77 2.679 6.218 2.089 1.00 0.00 O ATOM 1154 CB LYS A 77 5.543 7.741 1.486 1.00 0.00 C ATOM 1155 CG LYS A 77 6.682 8.243 0.616 1.00 0.00 C ATOM 1156 CD LYS A 77 7.739 8.960 1.440 1.00 0.00 C ATOM 1157 CE LYS A 77 7.444 10.448 1.552 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.608 11.205 2.091 1.00 0.00 N ATOM 0 H LYS A 77 3.374 8.397 0.280 1.00 0.00 H new ATOM 0 HA LYS A 77 5.194 6.100 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.966 8.594 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.958 7.247 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.137 7.403 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.290 8.920 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.784 8.521 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.718 8.815 0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.179 10.841 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.581 10.599 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.350 12.207 2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.878 10.814 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.410 11.123 1.434 1.00 0.00 H new ATOM 1172 N TRP A 78 4.493 4.907 2.312 1.00 0.00 N ATOM 1173 CA TRP A 78 3.873 4.031 3.300 1.00 0.00 C ATOM 1174 C TRP A 78 4.892 3.577 4.340 1.00 0.00 C ATOM 1175 O TRP A 78 6.023 3.228 4.002 1.00 0.00 O ATOM 1176 CB TRP A 78 3.249 2.815 2.614 1.00 0.00 C ATOM 1177 CG TRP A 78 2.196 2.142 3.441 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.844 2.215 3.265 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.410 1.294 4.575 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.204 1.464 4.221 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.142 0.889 5.037 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.548 0.837 5.245 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.984 0.050 6.136 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.390 0.005 6.336 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.116 -0.383 6.773 1.00 0.00 C ATOM 0 H TRP A 78 5.453 4.659 2.072 1.00 0.00 H new ATOM 0 HA TRP A 78 3.090 4.594 3.808 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.812 3.127 1.665 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.034 2.095 2.382 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.350 2.780 2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.806 1.353 4.309 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.534 1.129 4.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.003 -0.249 6.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.263 -0.353 6.861 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.026 -1.036 7.628 1.00 0.00 H new ATOM 1196 N ARG A 79 4.484 3.583 5.604 1.00 0.00 N ATOM 1197 CA ARG A 79 5.362 3.172 6.693 1.00 0.00 C ATOM 1198 C ARG A 79 4.572 2.971 7.982 1.00 0.00 C ATOM 1199 O ARG A 79 3.414 3.376 8.083 1.00 0.00 O ATOM 1200 CB ARG A 79 6.460 4.215 6.912 1.00 0.00 C ATOM 1201 CG ARG A 79 5.946 5.532 7.469 1.00 0.00 C ATOM 1202 CD ARG A 79 6.992 6.219 8.333 1.00 0.00 C ATOM 1203 NE ARG A 79 7.188 5.531 9.606 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.706 6.111 10.683 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.077 7.383 10.641 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.852 5.418 11.806 1.00 0.00 N ATOM 0 H ARG A 79 3.550 3.868 5.900 1.00 0.00 H new ATOM 0 HA ARG A 79 5.822 2.223 6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.205 3.808 7.595 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.965 4.403 5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.663 6.190 6.647 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.047 5.353 8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.938 6.259 7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.688 7.249 8.521 1.00 0.00 H new ATOM 0 HE ARG A 79 6.912 4.551 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.965 7.919 9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.474 7.826 11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.566 4.439 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.250 5.864 12.633 1.00 0.00 H new ATOM 1220 N PHE A 80 5.206 2.341 8.966 1.00 0.00 N ATOM 1221 CA PHE A 80 4.562 2.084 10.249 1.00 0.00 C ATOM 1222 C PHE A 80 5.013 3.098 11.297 1.00 0.00 C ATOM 1223 O PHE A 80 6.026 3.777 11.126 1.00 0.00 O ATOM 1224 CB PHE A 80 4.878 0.666 10.727 1.00 0.00 C ATOM 1225 CG PHE A 80 3.830 -0.342 10.348 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.485 -0.057 10.514 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.192 -1.573 9.826 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.518 -0.982 10.165 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.230 -2.502 9.476 1.00 0.00 C ATOM 1230 CZ PHE A 80 1.891 -2.206 9.647 1.00 0.00 C ATOM 0 H PHE A 80 6.165 1.999 8.899 1.00 0.00 H new ATOM 0 HA PHE A 80 3.485 2.183 10.113 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.836 0.356 10.311 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.989 0.673 11.811 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.188 0.898 10.921 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.237 -1.810 9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.472 -0.747 10.298 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.525 -3.458 9.069 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.138 -2.931 9.376 1.00 0.00 H new ATOM 1240 N LYS A 81 4.253 3.196 12.382 1.00 0.00 N ATOM 1241 CA LYS A 81 4.572 4.126 13.459 1.00 0.00 C ATOM 1242 C LYS A 81 5.768 3.632 14.267 1.00 0.00 C ATOM 1243 O LYS A 81 6.235 4.312 15.181 1.00 0.00 O ATOM 1244 CB LYS A 81 3.363 4.308 14.379 1.00 0.00 C ATOM 1245 CG LYS A 81 3.700 4.971 15.703 1.00 0.00 C ATOM 1246 CD LYS A 81 4.071 3.946 16.762 1.00 0.00 C ATOM 1247 CE LYS A 81 2.837 3.268 17.338 1.00 0.00 C ATOM 1248 NZ LYS A 81 1.958 4.233 18.055 1.00 0.00 N ATOM 0 H LYS A 81 3.411 2.642 12.539 1.00 0.00 H new ATOM 0 HA LYS A 81 4.828 5.086 13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.612 4.906 13.864 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.915 3.333 14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.528 5.666 15.562 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.847 5.556 16.045 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.731 3.195 16.328 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.627 4.434 17.563 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.275 2.793 16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.143 2.477 18.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.368 3.721 18.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.544 4.931 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.347 4.721 17.370 1.00 0.00 H new ATOM 1262 N SER A 82 6.260 2.446 13.923 1.00 0.00 N ATOM 1263 CA SER A 82 7.401 1.861 14.618 1.00 0.00 C ATOM 1264 C SER A 82 8.631 1.833 13.716 1.00 0.00 C ATOM 1265 O SER A 82 9.761 1.719 14.191 1.00 0.00 O ATOM 1266 CB SER A 82 7.067 0.444 15.088 1.00 0.00 C ATOM 1267 OG SER A 82 6.990 -0.452 13.993 1.00 0.00 O ATOM 0 H SER A 82 5.887 1.871 13.167 1.00 0.00 H new ATOM 0 HA SER A 82 7.623 2.481 15.486 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.828 0.101 15.789 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.118 0.450 15.625 1.00 0.00 H new ATOM 0 HG SER A 82 6.777 -1.351 14.320 1.00 0.00 H new ATOM 1273 N TRP A 83 8.402 1.938 12.412 1.00 0.00 N ATOM 1274 CA TRP A 83 9.491 1.924 11.441 1.00 0.00 C ATOM 1275 C TRP A 83 10.564 2.941 11.813 1.00 0.00 C ATOM 1276 O TRP A 83 10.325 3.883 12.569 1.00 0.00 O ATOM 1277 CB TRP A 83 8.956 2.218 10.039 1.00 0.00 C ATOM 1278 CG TRP A 83 8.429 1.003 9.338 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.086 -0.189 9.909 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.186 0.862 7.934 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.645 -1.063 8.944 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.696 -0.442 7.725 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.333 1.711 6.833 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.354 -0.915 6.460 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.994 1.240 5.579 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.508 -0.062 5.401 1.00 0.00 C ATOM 0 H TRP A 83 7.473 2.034 12.002 1.00 0.00 H new ATOM 0 HA TRP A 83 9.940 0.931 11.449 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.162 2.961 10.109 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.752 2.658 9.439 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.152 -0.412 10.964 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.331 -2.019 9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.705 2.717 6.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 6.981 -1.919 6.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.106 1.887 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.250 -0.399 4.408 1.00 0.00 H new ATOM 1297 N PRO A 84 11.776 2.750 11.271 1.00 0.00 N ATOM 1298 CA PRO A 84 12.910 3.642 11.532 1.00 0.00 C ATOM 1299 C PRO A 84 12.563 5.107 11.287 1.00 0.00 C ATOM 1300 O PRO A 84 11.720 5.422 10.449 1.00 0.00 O ATOM 1301 CB PRO A 84 13.969 3.170 10.533 1.00 0.00 C ATOM 1302 CG PRO A 84 13.641 1.739 10.281 1.00 0.00 C ATOM 1303 CD PRO A 84 12.133 1.649 10.361 1.00 0.00 C ATOM 0 HA PRO A 84 13.234 3.596 12.572 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.932 3.753 9.612 1.00 0.00 H new ATOM 0 HB3 PRO A 84 14.974 3.280 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 84 14.002 1.420 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.112 1.092 11.021 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.670 1.770 9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.808 0.684 10.750 1.00 0.00 H new ATOM 1311 N GLU A 85 13.219 5.997 12.025 1.00 0.00 N ATOM 1312 CA GLU A 85 12.979 7.428 11.887 1.00 0.00 C ATOM 1313 C GLU A 85 13.470 7.935 10.534 1.00 0.00 C ATOM 1314 O GLU A 85 14.672 8.034 10.295 1.00 0.00 O ATOM 1315 CB GLU A 85 13.674 8.196 13.014 1.00 0.00 C ATOM 1316 CG GLU A 85 13.442 9.696 12.962 1.00 0.00 C ATOM 1317 CD GLU A 85 14.331 10.458 13.926 1.00 0.00 C ATOM 1318 OE1 GLU A 85 15.565 10.277 13.865 1.00 0.00 O ATOM 1319 OE2 GLU A 85 13.791 11.235 14.742 1.00 0.00 O ATOM 0 H GLU A 85 13.920 5.752 12.724 1.00 0.00 H new ATOM 0 HA GLU A 85 11.904 7.597 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.321 7.815 13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.745 8.001 12.968 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.622 10.053 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.398 9.907 13.193 1.00 0.00 H new ATOM 1326 N GLY A 86 12.528 8.254 9.651 1.00 0.00 N ATOM 1327 CA GLY A 86 12.884 8.746 8.333 1.00 0.00 C ATOM 1328 C GLY A 86 13.046 7.629 7.322 1.00 0.00 C ATOM 1329 O GLY A 86 14.007 7.612 6.553 1.00 0.00 O ATOM 0 H GLY A 86 11.526 8.180 9.825 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.115 9.437 7.987 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.814 9.311 8.398 1.00 0.00 H new ATOM 1333 N HIS A 87 12.103 6.691 7.322 1.00 0.00 N ATOM 1334 CA HIS A 87 12.147 5.563 6.398 1.00 0.00 C ATOM 1335 C HIS A 87 10.744 5.199 5.920 1.00 0.00 C ATOM 1336 O HIS A 87 9.960 4.604 6.659 1.00 0.00 O ATOM 1337 CB HIS A 87 12.801 4.353 7.067 1.00 0.00 C ATOM 1338 CG HIS A 87 13.117 3.241 6.115 1.00 0.00 C ATOM 1339 ND1 HIS A 87 12.316 2.317 5.535 1.00 0.00 N flip ATOM 1340 CD2 HIS A 87 14.392 2.983 5.657 1.00 0.00 C flip ATOM 1341 CE1 HIS A 87 13.113 1.526 4.745 1.00 0.00 C flip ATOM 1342 NE2 HIS A 87 14.361 1.949 4.835 1.00 0.00 N flip ATOM 0 H HIS A 87 11.300 6.690 7.951 1.00 0.00 H new ATOM 0 HA HIS A 87 12.743 5.856 5.533 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.720 4.672 7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.138 3.976 7.846 1.00 0.00 H new ATOM 0 HD1 HIS A 87 11.308 2.225 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.277 3.539 5.928 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.774 0.693 4.147 1.00 0.00 H new ATOM 1351 N PHE A 88 10.435 5.560 4.679 1.00 0.00 N ATOM 1352 CA PHE A 88 9.127 5.272 4.102 1.00 0.00 C ATOM 1353 C PHE A 88 9.259 4.383 2.870 1.00 0.00 C ATOM 1354 O PHE A 88 10.365 4.112 2.403 1.00 0.00 O ATOM 1355 CB PHE A 88 8.412 6.574 3.732 1.00 0.00 C ATOM 1356 CG PHE A 88 8.047 7.416 4.921 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.026 7.887 5.780 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.723 7.736 5.179 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.693 8.663 6.875 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.384 8.511 6.271 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.370 8.974 7.121 1.00 0.00 C ATOM 0 H PHE A 88 11.073 6.053 4.053 1.00 0.00 H new ATOM 0 HA PHE A 88 8.537 4.741 4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.052 7.155 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.507 6.336 3.174 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.062 7.645 5.592 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.948 7.375 4.519 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.466 9.025 7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.349 8.755 6.460 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.107 9.578 7.977 1.00 0.00 H new ATOM 1371 N ALA A 89 8.123 3.932 2.348 1.00 0.00 N ATOM 1372 CA ALA A 89 8.111 3.075 1.169 1.00 0.00 C ATOM 1373 C ALA A 89 7.280 3.693 0.050 1.00 0.00 C ATOM 1374 O ALA A 89 6.153 4.138 0.272 1.00 0.00 O ATOM 1375 CB ALA A 89 7.578 1.695 1.526 1.00 0.00 C ATOM 0 H ALA A 89 7.199 4.146 2.723 1.00 0.00 H new ATOM 0 HA ALA A 89 9.136 2.975 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.574 1.065 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.215 1.245 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.562 1.786 1.911 1.00 0.00 H new ATOM 1381 N THR A 90 7.842 3.718 -1.154 1.00 0.00 N ATOM 1382 CA THR A 90 7.154 4.282 -2.308 1.00 0.00 C ATOM 1383 C THR A 90 6.119 3.309 -2.861 1.00 0.00 C ATOM 1384 O THR A 90 6.463 2.229 -3.342 1.00 0.00 O ATOM 1385 CB THR A 90 8.145 4.652 -3.428 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.216 5.438 -2.895 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.445 5.424 -4.537 1.00 0.00 C ATOM 0 H THR A 90 8.773 3.354 -1.355 1.00 0.00 H new ATOM 0 HA THR A 90 6.651 5.186 -1.965 1.00 0.00 H new ATOM 0 HB THR A 90 8.546 3.729 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.842 5.667 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.165 5.674 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.650 4.811 -4.961 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.019 6.340 -4.129 1.00 0.00 H new ATOM 1395 N ILE A 91 4.850 3.699 -2.791 1.00 0.00 N ATOM 1396 CA ILE A 91 3.766 2.861 -3.287 1.00 0.00 C ATOM 1397 C ILE A 91 3.036 3.535 -4.444 1.00 0.00 C ATOM 1398 O ILE A 91 2.827 4.748 -4.439 1.00 0.00 O ATOM 1399 CB ILE A 91 2.752 2.536 -2.174 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.327 1.488 -1.220 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.442 2.050 -2.777 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.488 1.996 -0.394 1.00 0.00 C ATOM 0 H ILE A 91 4.548 4.590 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 91 4.218 1.933 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 91 2.553 3.445 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.538 1.146 -0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.653 0.623 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.735 1.824 -1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.027 2.826 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.624 1.151 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.845 1.200 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.295 2.312 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.162 2.843 0.210 1.00 0.00 H new ATOM 1414 N THR A 92 2.647 2.738 -5.435 1.00 0.00 N ATOM 1415 CA THR A 92 1.940 3.256 -6.599 1.00 0.00 C ATOM 1416 C THR A 92 0.732 2.391 -6.938 1.00 0.00 C ATOM 1417 O THR A 92 0.867 1.333 -7.554 1.00 0.00 O ATOM 1418 CB THR A 92 2.863 3.334 -7.829 1.00 0.00 C ATOM 1419 OG1 THR A 92 4.018 4.124 -7.526 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.130 3.935 -9.019 1.00 0.00 C ATOM 0 H THR A 92 2.810 1.731 -5.454 1.00 0.00 H new ATOM 0 HA THR A 92 1.604 4.261 -6.343 1.00 0.00 H new ATOM 0 HB THR A 92 3.173 2.321 -8.087 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.519 4.301 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.802 3.980 -9.876 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.268 3.315 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.794 4.941 -8.769 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.449 2.846 -6.534 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.682 2.113 -6.796 1.00 0.00 C ATOM 1430 C LEU A 93 -2.212 2.420 -8.193 1.00 0.00 C ATOM 1431 O LEU A 93 -1.911 3.467 -8.767 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.740 2.464 -5.749 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.570 1.810 -4.377 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.531 2.423 -3.370 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.782 0.307 -4.473 1.00 0.00 C ATOM 0 H LEU A 93 -0.578 3.720 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.461 1.047 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.745 3.546 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.718 2.187 -6.143 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.552 1.992 -4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.395 1.945 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.331 3.491 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.556 2.273 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.657 -0.142 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.788 0.104 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.053 -0.120 -5.161 1.00 0.00 H new ATOM 1447 N THR A 94 -3.004 1.500 -8.736 1.00 0.00 N ATOM 1448 CA THR A 94 -3.577 1.673 -10.065 1.00 0.00 C ATOM 1449 C THR A 94 -4.979 1.079 -10.141 1.00 0.00 C ATOM 1450 O THR A 94 -5.206 -0.056 -9.721 1.00 0.00 O ATOM 1451 CB THR A 94 -2.695 1.020 -11.146 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.316 1.105 -10.770 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.902 1.695 -12.493 1.00 0.00 C ATOM 0 H THR A 94 -3.263 0.628 -8.275 1.00 0.00 H new ATOM 0 HA THR A 94 -3.630 2.746 -10.249 1.00 0.00 H new ATOM 0 HB THR A 94 -2.982 -0.028 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.762 0.686 -11.462 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.269 1.217 -13.241 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.947 1.603 -12.790 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.639 2.750 -12.416 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.916 1.851 -10.680 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.296 1.401 -10.811 1.00 0.00 C ATOM 1463 C PHE A 95 -7.599 0.985 -12.248 1.00 0.00 C ATOM 1464 O PHE A 95 -7.411 1.763 -13.183 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.260 2.506 -10.375 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.940 3.082 -9.025 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.835 3.899 -8.850 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.745 2.806 -7.932 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.538 4.429 -7.608 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.453 3.334 -6.688 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.349 4.147 -6.526 1.00 0.00 C ATOM 0 H PHE A 95 -5.744 2.792 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.431 0.534 -10.164 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.243 3.305 -11.116 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.274 2.107 -10.360 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.199 4.124 -9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.610 2.171 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.673 5.063 -7.484 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.088 3.111 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.120 4.562 -5.555 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.067 -0.248 -12.415 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.396 -0.767 -13.736 1.00 0.00 C ATOM 1483 C ILE A 96 -9.891 -1.040 -13.863 1.00 0.00 C ATOM 1484 O ILE A 96 -10.556 -1.377 -12.884 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.621 -2.063 -14.041 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.121 -1.847 -13.830 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.901 -2.526 -15.462 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.328 -3.134 -13.767 1.00 0.00 C ATOM 0 H ILE A 96 -8.227 -0.905 -11.652 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.106 -0.002 -14.456 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.957 -2.840 -13.355 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.733 -1.230 -14.641 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.969 -1.290 -12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.346 -3.443 -15.662 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.968 -2.715 -15.580 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.590 -1.753 -16.165 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.273 -2.904 -13.616 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.689 -3.744 -12.939 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.450 -3.682 -14.701 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.412 -0.895 -15.076 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.828 -1.128 -15.333 1.00 0.00 C ATOM 1502 C ASP A 97 -12.049 -2.508 -15.945 1.00 0.00 C ATOM 1503 O ASP A 97 -11.434 -2.858 -16.953 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.385 -0.049 -16.263 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.700 -0.455 -16.900 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -13.668 -1.172 -17.923 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -14.760 -0.058 -16.375 1.00 0.00 O ATOM 0 H ASP A 97 -9.875 -0.617 -15.897 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.357 -1.083 -14.381 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.527 0.874 -15.700 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.656 0.164 -17.045 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.930 -3.289 -15.329 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.233 -4.631 -15.812 1.00 0.00 C ATOM 1514 C LYS A 98 -14.720 -4.776 -16.119 1.00 0.00 C ATOM 1515 O LYS A 98 -15.215 -5.882 -16.328 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.811 -5.675 -14.776 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.528 -5.322 -14.044 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.309 -5.521 -14.928 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.722 -6.914 -14.762 1.00 0.00 C ATOM 1520 NZ LYS A 98 -10.348 -7.895 -15.692 1.00 0.00 N ATOM 0 H LYS A 98 -13.447 -3.015 -14.493 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.673 -4.794 -16.733 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.613 -5.797 -14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.683 -6.637 -15.273 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.572 -4.285 -13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.436 -5.940 -13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.585 -5.363 -15.971 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.554 -4.775 -14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.647 -6.879 -14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.863 -7.247 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.693 -8.687 -15.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.230 -8.255 -15.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.558 -7.429 -16.598 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.427 -3.650 -16.145 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.858 -3.652 -16.427 1.00 0.00 C ATOM 1536 C ASN A 99 -17.637 -4.290 -15.281 1.00 0.00 C ATOM 1537 O ASN A 99 -18.474 -5.166 -15.498 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.140 -4.402 -17.731 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.340 -3.844 -18.471 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.229 -3.411 -19.618 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.495 -3.851 -17.816 1.00 0.00 N ATOM 0 H ASN A 99 -15.032 -2.725 -15.974 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.185 -2.617 -16.533 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.262 -4.348 -18.375 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.310 -5.456 -17.511 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.337 -3.488 -18.263 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.540 -4.220 -16.866 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.357 -3.843 -14.061 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.040 -4.381 -12.899 1.00 0.00 C ATOM 1550 C GLY A 100 -17.123 -4.522 -11.700 1.00 0.00 C ATOM 1551 O GLY A 100 -17.555 -4.366 -10.559 1.00 0.00 O ATOM 0 H GLY A 100 -16.669 -3.118 -13.856 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.875 -3.731 -12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.460 -5.356 -13.147 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.853 -4.818 -11.960 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.874 -4.983 -10.892 1.00 0.00 C ATOM 1557 C GLU A 101 -13.627 -4.146 -11.164 1.00 0.00 C ATOM 1558 O GLU A 101 -13.197 -4.006 -12.310 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.491 -6.457 -10.744 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.651 -7.412 -10.965 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.288 -8.852 -10.656 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.830 -9.118 -9.525 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.461 -9.712 -11.545 1.00 0.00 O ATOM 0 H GLU A 101 -15.479 -4.948 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.326 -4.638 -9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.698 -6.691 -11.455 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.083 -6.619 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.490 -7.110 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -15.984 -7.339 -12.000 1.00 0.00 H new ATOM 1570 N THR A 102 -13.050 -3.592 -10.103 1.00 0.00 N ATOM 1571 CA THR A 102 -11.854 -2.768 -10.225 1.00 0.00 C ATOM 1572 C THR A 102 -10.639 -3.471 -9.631 1.00 0.00 C ATOM 1573 O THR A 102 -10.615 -3.790 -8.443 1.00 0.00 O ATOM 1574 CB THR A 102 -12.037 -1.406 -9.530 1.00 0.00 C ATOM 1575 OG1 THR A 102 -13.070 -0.658 -10.180 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.740 -0.611 -9.549 1.00 0.00 C ATOM 0 H THR A 102 -13.392 -3.699 -9.148 1.00 0.00 H new ATOM 0 HA THR A 102 -11.690 -2.604 -11.290 1.00 0.00 H new ATOM 0 HB THR A 102 -12.319 -1.588 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.918 -1.144 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.893 0.347 -9.053 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.963 -1.170 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.433 -0.440 -10.581 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.632 -3.708 -10.466 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.413 -4.374 -10.020 1.00 0.00 C ATOM 1586 C GLU A 103 -7.371 -3.355 -9.568 1.00 0.00 C ATOM 1587 O GLU A 103 -6.712 -2.717 -10.390 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.840 -5.241 -11.143 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.625 -6.053 -10.726 1.00 0.00 C ATOM 1590 CD GLU A 103 -5.742 -6.426 -11.900 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -6.262 -6.505 -13.033 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -4.530 -6.640 -11.686 1.00 0.00 O ATOM 0 H GLU A 103 -9.636 -3.450 -11.453 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.666 -5.010 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.615 -5.920 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.568 -4.601 -11.982 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.041 -5.482 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.955 -6.961 -10.222 1.00 0.00 H new ATOM 1599 N LEU A 104 -7.228 -3.207 -8.255 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.267 -2.266 -7.692 1.00 0.00 C ATOM 1601 C LEU A 104 -4.881 -2.894 -7.597 1.00 0.00 C ATOM 1602 O LEU A 104 -4.612 -3.697 -6.702 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.726 -1.805 -6.307 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.736 -0.944 -5.523 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.678 0.462 -6.100 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -6.114 -0.902 -4.050 1.00 0.00 C ATOM 0 H LEU A 104 -7.765 -3.727 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.210 -1.403 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.653 -1.243 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.960 -2.688 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.746 -1.392 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.968 1.061 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.359 0.415 -7.141 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.666 0.919 -6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.398 -0.284 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.113 -0.479 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.103 -1.913 -3.643 1.00 0.00 H new ATOM 1618 N CYS A 105 -4.004 -2.523 -8.523 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.644 -3.050 -8.544 1.00 0.00 C ATOM 1620 C CYS A 105 -1.717 -2.195 -7.686 1.00 0.00 C ATOM 1621 O CYS A 105 -1.440 -1.042 -8.015 1.00 0.00 O ATOM 1622 CB CYS A 105 -2.120 -3.110 -9.979 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.569 -4.022 -10.161 1.00 0.00 S ATOM 0 H CYS A 105 -4.210 -1.859 -9.269 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.665 -4.058 -8.131 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.877 -3.572 -10.612 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.976 -2.093 -10.345 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.208 -4.019 -11.410 1.00 0.00 H new ATOM 1629 N MET A 106 -1.242 -2.768 -6.585 1.00 0.00 N ATOM 1630 CA MET A 106 -0.347 -2.057 -5.680 1.00 0.00 C ATOM 1631 C MET A 106 1.109 -2.416 -5.962 1.00 0.00 C ATOM 1632 O MET A 106 1.447 -3.588 -6.125 1.00 0.00 O ATOM 1633 CB MET A 106 -0.692 -2.384 -4.225 1.00 0.00 C ATOM 1634 CG MET A 106 -0.018 -1.465 -3.220 1.00 0.00 C ATOM 1635 SD MET A 106 1.759 -1.750 -3.100 1.00 0.00 S ATOM 1636 CE MET A 106 1.894 -2.346 -1.417 1.00 0.00 C ATOM 0 H MET A 106 -1.462 -3.722 -6.298 1.00 0.00 H new ATOM 0 HA MET A 106 -0.478 -0.988 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.772 -2.323 -4.094 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.403 -3.414 -4.014 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.197 -0.428 -3.505 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.472 -1.610 -2.240 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.946 -2.414 -1.138 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.385 -1.656 -0.745 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.434 -3.331 -1.342 1.00 0.00 H new ATOM 1646 N GLU A 107 1.964 -1.400 -6.018 1.00 0.00 N ATOM 1647 CA GLU A 107 3.383 -1.611 -6.282 1.00 0.00 C ATOM 1648 C GLU A 107 4.242 -0.806 -5.312 1.00 0.00 C ATOM 1649 O GLU A 107 4.477 0.385 -5.513 1.00 0.00 O ATOM 1650 CB GLU A 107 3.720 -1.221 -7.723 1.00 0.00 C ATOM 1651 CG GLU A 107 4.987 -1.873 -8.249 1.00 0.00 C ATOM 1652 CD GLU A 107 5.488 -1.227 -9.527 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.653 -0.928 -10.406 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.714 -1.021 -9.648 1.00 0.00 O ATOM 0 H GLU A 107 1.700 -0.424 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 107 3.599 -2.670 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.886 -1.494 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.827 -0.138 -7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.765 -1.814 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.798 -2.931 -8.431 1.00 0.00 H new ATOM 1661 N GLY A 108 4.709 -1.466 -4.256 1.00 0.00 N ATOM 1662 CA GLY A 108 5.536 -0.797 -3.269 1.00 0.00 C ATOM 1663 C GLY A 108 6.991 -1.214 -3.352 1.00 0.00 C ATOM 1664 O GLY A 108 7.295 -2.384 -3.585 1.00 0.00 O ATOM 0 H GLY A 108 4.529 -2.452 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.462 0.281 -3.409 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.155 -1.016 -2.272 1.00 0.00 H new ATOM 1668 N ARG A 109 7.892 -0.256 -3.164 1.00 0.00 N ATOM 1669 CA ARG A 109 9.322 -0.530 -3.223 1.00 0.00 C ATOM 1670 C ARG A 109 10.072 0.265 -2.158 1.00 0.00 C ATOM 1671 O ARG A 109 10.165 1.490 -2.233 1.00 0.00 O ATOM 1672 CB ARG A 109 9.872 -0.190 -4.609 1.00 0.00 C ATOM 1673 CG ARG A 109 9.322 1.106 -5.182 1.00 0.00 C ATOM 1674 CD ARG A 109 8.073 0.861 -6.015 1.00 0.00 C ATOM 1675 NE ARG A 109 7.925 1.848 -7.081 1.00 0.00 N ATOM 1676 CZ ARG A 109 6.801 2.026 -7.766 1.00 0.00 C ATOM 1677 NH1 ARG A 109 5.733 1.288 -7.497 1.00 0.00 N ATOM 1678 NH2 ARG A 109 6.743 2.945 -8.722 1.00 0.00 N ATOM 0 H ARG A 109 7.657 0.717 -2.969 1.00 0.00 H new ATOM 0 HA ARG A 109 9.471 -1.593 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.958 -0.120 -4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.640 -1.007 -5.293 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.090 1.795 -4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.083 1.585 -5.798 1.00 0.00 H new ATOM 0 HD2 ARG A 109 8.117 -0.138 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.195 0.890 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 109 8.728 2.432 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.773 0.581 -6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.871 1.427 -8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 109 7.562 3.516 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.879 3.081 -9.247 1.00 0.00 H new ATOM 1692 N GLY A 110 10.606 -0.441 -1.165 1.00 0.00 N ATOM 1693 CA GLY A 110 11.339 0.215 -0.099 1.00 0.00 C ATOM 1694 C GLY A 110 10.956 -0.303 1.273 1.00 0.00 C ATOM 1695 O GLY A 110 11.425 0.208 2.290 1.00 0.00 O ATOM 0 H GLY A 110 10.544 -1.456 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.408 0.068 -0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.155 1.288 -0.143 1.00 0.00 H new ATOM 1699 N ILE A 111 10.100 -1.319 1.302 1.00 0.00 N ATOM 1700 CA ILE A 111 9.653 -1.905 2.559 1.00 0.00 C ATOM 1701 C ILE A 111 10.784 -2.667 3.243 1.00 0.00 C ATOM 1702 O ILE A 111 11.340 -3.621 2.699 1.00 0.00 O ATOM 1703 CB ILE A 111 8.463 -2.859 2.345 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.192 -2.063 2.043 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.265 -3.742 3.567 1.00 0.00 C ATOM 1706 CD1 ILE A 111 6.969 -1.816 0.568 1.00 0.00 C ATOM 0 H ILE A 111 9.702 -1.753 0.469 1.00 0.00 H new ATOM 0 HA ILE A 111 9.336 -1.080 3.196 1.00 0.00 H new ATOM 0 HB ILE A 111 8.679 -3.500 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.333 -2.599 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.242 -1.105 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.420 -4.410 3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.165 -4.331 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.067 -3.118 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.050 -1.247 0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.810 -1.253 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 111 6.886 -2.770 0.048 1.00 0.00 H new ATOM 1718 N PRO A 112 11.132 -2.238 4.465 1.00 0.00 N ATOM 1719 CA PRO A 112 12.198 -2.867 5.251 1.00 0.00 C ATOM 1720 C PRO A 112 12.068 -4.385 5.292 1.00 0.00 C ATOM 1721 O PRO A 112 11.045 -4.919 5.718 1.00 0.00 O ATOM 1722 CB PRO A 112 12.003 -2.275 6.649 1.00 0.00 C ATOM 1723 CG PRO A 112 11.336 -0.964 6.417 1.00 0.00 C ATOM 1724 CD PRO A 112 10.511 -1.106 5.174 1.00 0.00 C ATOM 0 HA PRO A 112 13.184 -2.678 4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.390 -2.926 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 112 12.957 -2.149 7.162 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.709 -0.694 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.075 -0.171 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.466 -1.307 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.534 -0.197 4.573 1.00 0.00 H new ATOM 1732 N ALA A 113 13.113 -5.076 4.847 1.00 0.00 N ATOM 1733 CA ALA A 113 13.117 -6.533 4.836 1.00 0.00 C ATOM 1734 C ALA A 113 12.618 -7.094 6.164 1.00 0.00 C ATOM 1735 O ALA A 113 11.799 -8.012 6.209 1.00 0.00 O ATOM 1736 CB ALA A 113 14.513 -7.055 4.532 1.00 0.00 C ATOM 0 H ALA A 113 13.968 -4.649 4.489 1.00 0.00 H new ATOM 0 HA ALA A 113 12.437 -6.867 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.501 -8.145 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.833 -6.691 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.207 -6.703 5.295 1.00 0.00 H new ATOM 1742 N PRO A 114 13.122 -6.531 7.271 1.00 0.00 N ATOM 1743 CA PRO A 114 12.742 -6.959 8.621 1.00 0.00 C ATOM 1744 C PRO A 114 11.238 -6.869 8.855 1.00 0.00 C ATOM 1745 O PRO A 114 10.660 -7.695 9.560 1.00 0.00 O ATOM 1746 CB PRO A 114 13.484 -5.975 9.528 1.00 0.00 C ATOM 1747 CG PRO A 114 14.633 -5.497 8.708 1.00 0.00 C ATOM 1748 CD PRO A 114 14.102 -5.431 7.292 1.00 0.00 C ATOM 0 HA PRO A 114 12.997 -8.003 8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 114 12.839 -5.148 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 114 13.825 -6.460 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 114 14.980 -4.520 9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.480 -6.179 8.781 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.638 -4.469 7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.892 -5.576 6.555 1.00 0.00 H new ATOM 1756 N GLU A 115 10.610 -5.859 8.259 1.00 0.00 N ATOM 1757 CA GLU A 115 9.173 -5.662 8.405 1.00 0.00 C ATOM 1758 C GLU A 115 8.437 -6.061 7.129 1.00 0.00 C ATOM 1759 O GLU A 115 7.229 -5.862 7.009 1.00 0.00 O ATOM 1760 CB GLU A 115 8.867 -4.203 8.747 1.00 0.00 C ATOM 1761 CG GLU A 115 9.875 -3.577 9.697 1.00 0.00 C ATOM 1762 CD GLU A 115 9.257 -2.516 10.587 1.00 0.00 C ATOM 1763 OE1 GLU A 115 8.038 -2.596 10.847 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.993 -1.606 11.024 1.00 0.00 O ATOM 0 H GLU A 115 11.074 -5.166 7.672 1.00 0.00 H new ATOM 0 HA GLU A 115 8.826 -6.299 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.838 -3.621 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.874 -4.143 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.315 -4.356 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.686 -3.134 9.120 1.00 0.00 H new ATOM 1771 N GLU A 116 9.176 -6.625 6.178 1.00 0.00 N ATOM 1772 CA GLU A 116 8.594 -7.051 4.911 1.00 0.00 C ATOM 1773 C GLU A 116 7.364 -7.924 5.143 1.00 0.00 C ATOM 1774 O GLU A 116 6.292 -7.661 4.599 1.00 0.00 O ATOM 1775 CB GLU A 116 9.627 -7.816 4.081 1.00 0.00 C ATOM 1776 CG GLU A 116 9.132 -8.201 2.697 1.00 0.00 C ATOM 1777 CD GLU A 116 10.169 -8.966 1.899 1.00 0.00 C ATOM 1778 OE1 GLU A 116 11.369 -8.858 2.226 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.779 -9.674 0.946 1.00 0.00 O ATOM 0 H GLU A 116 10.178 -6.797 6.261 1.00 0.00 H new ATOM 0 HA GLU A 116 8.287 -6.160 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.524 -7.205 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.916 -8.719 4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 116 8.232 -8.808 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.852 -7.300 2.152 1.00 0.00 H new ATOM 1786 N GLU A 117 7.529 -8.965 5.954 1.00 0.00 N ATOM 1787 CA GLU A 117 6.433 -9.878 6.256 1.00 0.00 C ATOM 1788 C GLU A 117 5.305 -9.151 6.983 1.00 0.00 C ATOM 1789 O GLU A 117 4.195 -9.030 6.465 1.00 0.00 O ATOM 1790 CB GLU A 117 6.933 -11.047 7.107 1.00 0.00 C ATOM 1791 CG GLU A 117 5.819 -11.929 7.644 1.00 0.00 C ATOM 1792 CD GLU A 117 6.331 -13.250 8.186 1.00 0.00 C ATOM 1793 OE1 GLU A 117 7.055 -13.953 7.450 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.007 -13.580 9.346 1.00 0.00 O ATOM 0 H GLU A 117 8.410 -9.196 6.413 1.00 0.00 H new ATOM 0 HA GLU A 117 6.045 -10.264 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.611 -11.656 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.510 -10.655 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.289 -11.397 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.098 -12.121 6.850 1.00 0.00 H new ATOM 1801 N ARG A 118 5.598 -8.671 8.187 1.00 0.00 N ATOM 1802 CA ARG A 118 4.609 -7.958 8.987 1.00 0.00 C ATOM 1803 C ARG A 118 3.764 -7.037 8.112 1.00 0.00 C ATOM 1804 O ARG A 118 2.536 -7.129 8.098 1.00 0.00 O ATOM 1805 CB ARG A 118 5.298 -7.146 10.084 1.00 0.00 C ATOM 1806 CG ARG A 118 4.335 -6.349 10.949 1.00 0.00 C ATOM 1807 CD ARG A 118 5.058 -5.269 11.739 1.00 0.00 C ATOM 1808 NE ARG A 118 4.134 -4.282 12.289 1.00 0.00 N ATOM 1809 CZ ARG A 118 4.407 -3.529 13.349 1.00 0.00 C ATOM 1810 NH1 ARG A 118 5.573 -3.651 13.969 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.514 -2.652 13.790 1.00 0.00 N ATOM 0 H ARG A 118 6.512 -8.763 8.630 1.00 0.00 H new ATOM 0 HA ARG A 118 3.952 -8.695 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 118 5.870 -7.822 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.011 -6.462 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.572 -5.891 10.319 1.00 0.00 H new ATOM 0 HG3 ARG A 118 3.820 -7.021 11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 118 5.622 -5.729 12.550 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.780 -4.769 11.093 1.00 0.00 H new ATOM 0 HE ARG A 118 3.229 -4.164 11.834 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.262 -4.324 13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.781 -3.072 14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 118 2.617 -2.555 13.315 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.725 -2.075 14.604 1.00 0.00 H new ATOM 1825 N THR A 119 4.430 -6.147 7.382 1.00 0.00 N ATOM 1826 CA THR A 119 3.741 -5.208 6.506 1.00 0.00 C ATOM 1827 C THR A 119 2.783 -5.933 5.567 1.00 0.00 C ATOM 1828 O THR A 119 1.564 -5.820 5.700 1.00 0.00 O ATOM 1829 CB THR A 119 4.738 -4.386 5.669 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.679 -3.734 6.529 1.00 0.00 O ATOM 1831 CG2 THR A 119 4.011 -3.349 4.825 1.00 0.00 C ATOM 0 H THR A 119 5.446 -6.057 7.381 1.00 0.00 H new ATOM 0 HA THR A 119 3.175 -4.534 7.149 1.00 0.00 H new ATOM 0 HB THR A 119 5.267 -5.067 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.431 -4.336 6.707 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.736 -2.781 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.317 -3.851 4.151 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.459 -2.672 5.477 1.00 0.00 H new ATOM 1839 N ARG A 120 3.342 -6.678 4.619 1.00 0.00 N ATOM 1840 CA ARG A 120 2.537 -7.421 3.658 1.00 0.00 C ATOM 1841 C ARG A 120 1.442 -8.215 4.364 1.00 0.00 C ATOM 1842 O ARG A 120 0.456 -8.617 3.746 1.00 0.00 O ATOM 1843 CB ARG A 120 3.421 -8.366 2.842 1.00 0.00 C ATOM 1844 CG ARG A 120 2.889 -8.645 1.446 1.00 0.00 C ATOM 1845 CD ARG A 120 3.615 -9.812 0.795 1.00 0.00 C ATOM 1846 NE ARG A 120 3.537 -9.762 -0.662 1.00 0.00 N ATOM 1847 CZ ARG A 120 4.356 -10.431 -1.465 1.00 0.00 C ATOM 1848 NH1 ARG A 120 5.309 -11.198 -0.955 1.00 0.00 N ATOM 1849 NH2 ARG A 120 4.222 -10.334 -2.782 1.00 0.00 N ATOM 0 H ARG A 120 4.349 -6.783 4.496 1.00 0.00 H new ATOM 0 HA ARG A 120 2.066 -6.704 2.986 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.420 -7.937 2.762 1.00 0.00 H new ATOM 0 HB3 ARG A 120 3.522 -9.309 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 120 1.822 -8.863 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.002 -7.754 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 120 4.661 -9.805 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.185 -10.749 1.149 1.00 0.00 H new ATOM 0 HE ARG A 120 2.814 -9.181 -1.086 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.415 -11.275 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.937 -11.711 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.489 -9.745 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.852 -10.848 -3.398 1.00 0.00 H new ATOM 1863 N GLN A 121 1.623 -8.438 5.662 1.00 0.00 N ATOM 1864 CA GLN A 121 0.652 -9.186 6.451 1.00 0.00 C ATOM 1865 C GLN A 121 -0.419 -8.258 7.016 1.00 0.00 C ATOM 1866 O GLN A 121 -1.593 -8.620 7.086 1.00 0.00 O ATOM 1867 CB GLN A 121 1.352 -9.929 7.590 1.00 0.00 C ATOM 1868 CG GLN A 121 2.346 -10.975 7.113 1.00 0.00 C ATOM 1869 CD GLN A 121 1.717 -12.344 6.946 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.529 -12.462 6.646 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.513 -13.389 7.139 1.00 0.00 N ATOM 0 H GLN A 121 2.433 -8.111 6.189 1.00 0.00 H new ATOM 0 HA GLN A 121 0.170 -9.912 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.872 -9.206 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.600 -10.412 8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.774 -10.657 6.162 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.168 -11.041 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.492 -13.245 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 121 2.145 -14.335 7.040 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.006 -7.060 7.419 1.00 0.00 N ATOM 1881 CA GLY A 122 -0.942 -6.100 7.973 1.00 0.00 C ATOM 1882 C GLY A 122 -1.247 -4.967 7.013 1.00 0.00 C ATOM 1883 O GLY A 122 -1.686 -3.894 7.428 1.00 0.00 O ATOM 0 H GLY A 122 0.961 -6.738 7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -1.869 -6.610 8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.533 -5.690 8.896 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.013 -5.204 5.727 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.264 -4.194 4.706 1.00 0.00 C ATOM 1889 C TRP A 123 -2.655 -4.362 4.104 1.00 0.00 C ATOM 1890 O TRP A 123 -3.520 -3.504 4.273 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.205 -4.278 3.605 1.00 0.00 C ATOM 1892 CG TRP A 123 0.125 -2.949 2.996 1.00 0.00 C ATOM 1893 CD1 TRP A 123 1.069 -2.061 3.427 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.489 -2.358 1.845 1.00 0.00 C ATOM 1895 NE1 TRP A 123 1.079 -0.953 2.614 1.00 0.00 N ATOM 1896 CE2 TRP A 123 0.133 -1.111 1.636 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.502 -2.760 0.971 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.228 -0.266 0.590 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -1.859 -1.920 -0.067 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.222 -0.686 -0.251 1.00 0.00 C ATOM 0 H TRP A 123 -0.650 -6.087 5.367 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.209 -3.214 5.179 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.704 -4.716 4.018 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.557 -4.951 2.823 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.713 -2.208 4.281 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.691 -0.144 2.721 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -1.997 -3.710 1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 0.259 0.687 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.642 -2.220 -0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.522 -0.053 -1.073 1.00 0.00 H new ATOM 1911 N GLN A 124 -2.861 -5.472 3.402 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.148 -5.750 2.776 1.00 0.00 C ATOM 1913 C GLN A 124 -5.218 -6.023 3.828 1.00 0.00 C ATOM 1914 O GLN A 124 -6.391 -5.701 3.632 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.030 -6.946 1.829 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.110 -6.696 0.645 1.00 0.00 C ATOM 1917 CD GLN A 124 -2.294 -7.918 0.272 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -2.317 -8.368 -0.874 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.566 -8.462 1.240 1.00 0.00 N ATOM 0 H GLN A 124 -2.154 -6.192 3.253 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.443 -4.870 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -3.663 -7.807 2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.022 -7.205 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.705 -6.385 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.436 -5.872 0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -1.577 -8.056 2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.996 -9.286 1.048 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.807 -6.618 4.943 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.731 -6.935 6.025 1.00 0.00 C ATOM 1930 C ARG A 125 -6.636 -5.746 6.333 1.00 0.00 C ATOM 1931 O ARG A 125 -7.756 -5.914 6.815 1.00 0.00 O ATOM 1932 CB ARG A 125 -4.958 -7.341 7.281 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.677 -8.832 7.368 1.00 0.00 C ATOM 1934 CD ARG A 125 -4.554 -9.293 8.812 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.852 -9.628 9.392 1.00 0.00 N ATOM 1936 CZ ARG A 125 -6.456 -10.798 9.215 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.882 -11.739 8.479 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -7.636 -11.027 9.776 1.00 0.00 N ATOM 0 H ARG A 125 -3.840 -6.890 5.121 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.354 -7.770 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.012 -6.800 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.524 -7.035 8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -5.478 -9.384 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.756 -9.062 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.900 -10.164 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -4.084 -8.508 9.404 1.00 0.00 H new ATOM 0 HE ARG A 125 -6.320 -8.925 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.974 -11.566 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.348 -12.636 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -8.080 -10.305 10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.100 -11.925 9.640 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.142 -4.545 6.053 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.904 -3.328 6.303 1.00 0.00 C ATOM 1954 C TYR A 126 -7.189 -2.586 5.001 1.00 0.00 C ATOM 1955 O TYR A 126 -8.243 -1.968 4.843 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.145 -2.415 7.268 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.291 -3.164 8.265 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.782 -4.281 8.930 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -3.992 -2.756 8.542 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.005 -4.968 9.843 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.207 -3.437 9.452 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.719 -4.542 10.100 1.00 0.00 C ATOM 1963 OH TYR A 126 -2.941 -5.225 11.007 1.00 0.00 O ATOM 0 H TYR A 126 -5.217 -4.389 5.653 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.855 -3.612 6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.510 -1.740 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.861 -1.796 7.808 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.788 -4.618 8.730 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.589 -1.891 8.037 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.403 -5.833 10.352 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.199 -3.107 9.655 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.062 -4.797 11.072 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.243 -2.652 4.071 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.390 -1.986 2.782 1.00 0.00 C ATOM 1975 C TYR A 127 -7.538 -2.595 1.982 1.00 0.00 C ATOM 1976 O TYR A 127 -8.556 -1.945 1.742 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.089 -2.083 1.983 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.253 -0.825 2.033 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -3.912 -0.241 3.247 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.803 -0.220 0.866 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.149 0.910 3.296 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.038 0.929 0.906 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.714 1.491 2.124 1.00 0.00 C ATOM 1984 OH TYR A 127 -1.952 2.636 2.169 1.00 0.00 O ATOM 0 H TYR A 127 -5.366 -3.160 4.186 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.617 -0.936 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.499 -2.916 2.365 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.327 -2.310 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.249 -0.694 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.056 -0.656 -0.089 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.895 1.352 4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.695 1.385 -0.011 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.224 2.520 2.815 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.367 -3.847 1.573 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.387 -4.545 0.799 1.00 0.00 C ATOM 1996 C PHE A 128 -9.305 -5.352 1.713 1.00 0.00 C ATOM 1997 O PHE A 128 -10.484 -5.035 1.863 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.734 -5.468 -0.231 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.519 -4.873 -0.884 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.344 -3.500 -0.931 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.552 -5.688 -1.451 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.227 -2.949 -1.531 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.433 -5.143 -2.052 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.271 -3.772 -2.093 1.00 0.00 C ATOM 0 H PHE A 128 -6.531 -4.400 1.765 1.00 0.00 H new ATOM 0 HA PHE A 128 -8.987 -3.799 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.454 -6.402 0.256 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.465 -5.716 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.089 -2.852 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.674 -6.761 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.102 -1.877 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.686 -5.789 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.398 -3.344 -2.564 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.753 -6.399 2.320 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.522 -7.253 3.218 1.00 0.00 C ATOM 2016 C GLU A 129 -10.569 -6.442 3.977 1.00 0.00 C ATOM 2017 O GLU A 129 -11.665 -6.927 4.254 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.593 -7.959 4.207 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.646 -8.950 3.551 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.318 -10.267 3.218 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.275 -10.258 2.415 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -7.889 -11.307 3.761 1.00 0.00 O ATOM 0 H GLU A 129 -7.778 -6.676 2.206 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.035 -8.002 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.009 -7.210 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.196 -8.482 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.243 -8.511 2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -6.802 -9.135 4.216 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.221 -5.202 4.310 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.140 -4.344 5.034 1.00 0.00 C ATOM 2031 C GLY A 130 -12.262 -3.825 4.158 1.00 0.00 C ATOM 2032 O GLY A 130 -13.421 -4.206 4.331 1.00 0.00 O ATOM 0 H GLY A 130 -9.320 -4.777 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.564 -4.897 5.872 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.591 -3.501 5.453 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.920 -2.954 3.214 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.908 -2.383 2.308 1.00 0.00 C ATOM 2038 C ILE A 131 -13.799 -3.468 1.711 1.00 0.00 C ATOM 2039 O ILE A 131 -15.018 -3.314 1.637 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.237 -1.599 1.165 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.396 -0.452 1.729 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.286 -1.069 0.199 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.469 0.174 0.711 1.00 0.00 C ATOM 0 H ILE A 131 -10.966 -2.629 3.057 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.518 -1.699 2.898 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.577 -2.274 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -12.061 0.316 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.805 -0.823 2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.796 -0.517 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.846 -1.903 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.969 -0.406 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.904 0.980 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.779 -0.581 0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -11.055 0.575 -0.116 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.182 -4.566 1.288 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.917 -5.679 0.701 1.00 0.00 C ATOM 2057 C LYS A 132 -15.079 -6.097 1.596 1.00 0.00 C ATOM 2058 O LYS A 132 -16.083 -6.624 1.119 1.00 0.00 O ATOM 2059 CB LYS A 132 -12.983 -6.869 0.471 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.174 -6.768 -0.810 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.171 -7.904 -0.927 1.00 0.00 C ATOM 2062 CE LYS A 132 -10.910 -8.271 -2.380 1.00 0.00 C ATOM 2063 NZ LYS A 132 -10.569 -9.712 -2.536 1.00 0.00 N ATOM 0 H LYS A 132 -12.173 -4.709 1.341 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.320 -5.350 -0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.300 -6.953 1.316 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.574 -7.785 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.846 -6.785 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.649 -5.813 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.235 -7.614 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.545 -8.777 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -11.792 -8.040 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -10.094 -7.661 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.448 -9.933 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -9.684 -9.916 -2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -11.336 -10.295 -2.143 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.935 -5.856 2.895 1.00 0.00 N ATOM 2078 CA GLN A 133 -15.974 -6.207 3.856 1.00 0.00 C ATOM 2079 C GLN A 133 -16.805 -4.984 4.232 1.00 0.00 C ATOM 2080 O GLN A 133 -18.030 -4.988 4.105 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.351 -6.819 5.112 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.352 -7.927 4.817 1.00 0.00 C ATOM 2083 CD GLN A 133 -14.995 -9.299 4.785 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.768 -10.125 5.670 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -15.803 -9.551 3.762 1.00 0.00 N ATOM 0 H GLN A 133 -14.110 -5.420 3.306 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.631 -6.941 3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.853 -6.034 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.145 -7.216 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.872 -7.732 3.858 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.568 -7.915 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -15.963 -8.838 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -16.264 -10.458 3.687 1.00 0.00 H new ATOM 2094 N THR A 134 -16.130 -3.936 4.694 1.00 0.00 N ATOM 2095 CA THR A 134 -16.805 -2.706 5.089 1.00 0.00 C ATOM 2096 C THR A 134 -17.722 -2.201 3.981 1.00 0.00 C ATOM 2097 O THR A 134 -18.920 -2.011 4.191 1.00 0.00 O ATOM 2098 CB THR A 134 -15.794 -1.600 5.447 1.00 0.00 C ATOM 2099 OG1 THR A 134 -14.957 -2.032 6.525 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.512 -0.317 5.837 1.00 0.00 C ATOM 0 H THR A 134 -15.116 -3.915 4.804 1.00 0.00 H new ATOM 0 HA THR A 134 -17.401 -2.942 5.970 1.00 0.00 H new ATOM 0 HB THR A 134 -15.180 -1.401 4.569 1.00 0.00 H new ATOM 0 HG1 THR A 134 -14.049 -2.187 6.192 1.00 0.00 H new ATOM 0 HG21 THR A 134 -15.778 0.450 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.125 0.025 5.003 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.148 -0.505 6.702 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.152 -1.987 2.799 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.919 -1.504 1.657 1.00 0.00 C ATOM 2110 C PHE A 135 -18.567 -2.665 0.907 1.00 0.00 C ATOM 2111 O PHE A 135 -19.567 -2.488 0.213 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.017 -0.711 0.709 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.497 0.566 1.305 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.676 0.542 2.420 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.831 1.791 0.750 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.197 1.716 2.971 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.355 2.968 1.296 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.536 2.930 2.408 1.00 0.00 C ATOM 0 H PHE A 135 -16.162 -2.141 2.608 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.707 -0.850 2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.173 -1.336 0.416 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.573 -0.479 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.407 -0.405 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.471 1.826 -0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.558 1.683 3.841 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.623 3.916 0.854 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.162 3.848 2.836 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.988 -3.853 1.053 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.522 -5.025 0.384 1.00 0.00 C ATOM 2130 C GLY A 136 -18.008 -5.167 -1.035 1.00 0.00 C ATOM 2131 O GLY A 136 -18.752 -5.557 -1.936 1.00 0.00 O ATOM 0 H GLY A 136 -17.159 -4.025 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.259 -5.916 0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.610 -4.967 0.369 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.735 -4.848 -1.236 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.123 -4.938 -2.557 1.00 0.00 C ATOM 2137 C TYR A 137 -15.288 -6.208 -2.685 1.00 0.00 C ATOM 2138 O TYR A 137 -14.324 -6.256 -3.449 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.250 -3.710 -2.822 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.999 -2.401 -2.719 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.377 -2.351 -2.888 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.328 -1.213 -2.454 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -18.066 -1.157 -2.795 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -16.009 -0.015 -2.359 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.377 0.009 -2.530 1.00 0.00 C ATOM 2146 OH TYR A 137 -18.058 1.201 -2.437 1.00 0.00 O ATOM 0 H TYR A 137 -16.106 -4.525 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.921 -4.974 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.423 -3.703 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.814 -3.792 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.919 -3.262 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.256 -1.227 -2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -19.137 -1.136 -2.929 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.472 0.899 -2.152 1.00 0.00 H new ATOM 0 HH TYR A 137 -17.426 1.925 -2.245 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.666 -7.236 -1.932 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.943 -8.493 -1.975 1.00 0.00 C ATOM 2158 C GLY A 138 -15.728 -9.590 -2.667 1.00 0.00 C ATOM 2159 O GLY A 138 -16.883 -9.394 -3.041 1.00 0.00 O ATOM 0 H GLY A 138 -16.461 -7.221 -1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -13.996 -8.346 -2.493 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.705 -8.807 -0.959 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.099 -10.748 -2.837 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.746 -11.881 -3.488 1.00 0.00 C ATOM 2165 C ALA A 139 -15.661 -13.133 -2.622 1.00 0.00 C ATOM 2166 O ALA A 139 -16.662 -13.813 -2.397 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.120 -12.135 -4.851 1.00 0.00 C ATOM 0 H ALA A 139 -14.142 -10.927 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.799 -11.637 -3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.613 -12.984 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.239 -11.250 -5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.059 -12.353 -4.729 1.00 0.00 H new ATOM 2173 N SER A 140 -14.459 -13.433 -2.140 1.00 0.00 N ATOM 2174 CA SER A 140 -14.242 -14.607 -1.303 1.00 0.00 C ATOM 2175 C SER A 140 -14.735 -14.359 0.119 1.00 0.00 C ATOM 2176 O SER A 140 -15.184 -13.262 0.450 1.00 0.00 O ATOM 2177 CB SER A 140 -12.758 -14.979 -1.283 1.00 0.00 C ATOM 2178 OG SER A 140 -12.034 -14.138 -0.402 1.00 0.00 O ATOM 0 H SER A 140 -13.621 -12.879 -2.315 1.00 0.00 H new ATOM 0 HA SER A 140 -14.811 -15.435 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 140 -12.644 -16.018 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 140 -12.346 -14.898 -2.289 1.00 0.00 H new ATOM 0 HG SER A 140 -11.089 -14.397 -0.406 1.00 0.00 H new ATOM 2184 N GLY A 141 -14.647 -15.387 0.958 1.00 0.00 N ATOM 2185 CA GLY A 141 -15.088 -15.261 2.335 1.00 0.00 C ATOM 2186 C GLY A 141 -14.091 -15.842 3.318 1.00 0.00 C ATOM 2187 O GLY A 141 -13.040 -16.359 2.937 1.00 0.00 O ATOM 0 H GLY A 141 -14.278 -16.305 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -15.251 -14.208 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -16.047 -15.765 2.454 1.00 0.00 H new ATOM 2191 N PRO A 142 -14.417 -15.759 4.616 1.00 0.00 N ATOM 2192 CA PRO A 142 -13.555 -16.274 5.684 1.00 0.00 C ATOM 2193 C PRO A 142 -13.024 -17.671 5.377 1.00 0.00 C ATOM 2194 O PRO A 142 -13.498 -18.336 4.456 1.00 0.00 O ATOM 2195 CB PRO A 142 -14.481 -16.310 6.902 1.00 0.00 C ATOM 2196 CG PRO A 142 -15.488 -15.243 6.643 1.00 0.00 C ATOM 2197 CD PRO A 142 -15.653 -15.155 5.142 1.00 0.00 C ATOM 0 HA PRO A 142 -12.668 -15.657 5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -14.956 -17.285 7.010 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -13.931 -16.120 7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -16.437 -15.482 7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -15.155 -14.289 7.052 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -16.537 -15.696 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -15.765 -14.122 4.812 1.00 0.00 H new ATOM 2205 N SER A 143 -12.039 -18.108 6.154 1.00 0.00 N ATOM 2206 CA SER A 143 -11.442 -19.425 5.963 1.00 0.00 C ATOM 2207 C SER A 143 -11.413 -20.204 7.274 1.00 0.00 C ATOM 2208 O SER A 143 -10.420 -20.853 7.602 1.00 0.00 O ATOM 2209 CB SER A 143 -10.023 -19.289 5.406 1.00 0.00 C ATOM 2210 OG SER A 143 -10.010 -18.497 4.231 1.00 0.00 O ATOM 0 H SER A 143 -11.637 -17.570 6.922 1.00 0.00 H new ATOM 0 HA SER A 143 -12.055 -19.974 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 143 -9.375 -18.839 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 143 -9.619 -20.277 5.187 1.00 0.00 H new ATOM 0 HG SER A 143 -9.092 -18.424 3.896 1.00 0.00 H new ATOM 2216 N SER A 144 -12.511 -20.135 8.020 1.00 0.00 N ATOM 2217 CA SER A 144 -12.612 -20.831 9.298 1.00 0.00 C ATOM 2218 C SER A 144 -13.241 -22.209 9.118 1.00 0.00 C ATOM 2219 O SER A 144 -14.458 -22.366 9.217 1.00 0.00 O ATOM 2220 CB SER A 144 -13.437 -20.006 10.288 1.00 0.00 C ATOM 2221 OG SER A 144 -12.716 -18.869 10.729 1.00 0.00 O ATOM 0 H SER A 144 -13.343 -19.604 7.762 1.00 0.00 H new ATOM 0 HA SER A 144 -11.605 -20.960 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 144 -14.367 -19.690 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 144 -13.707 -20.624 11.144 1.00 0.00 H new ATOM 0 HG SER A 144 -13.265 -18.358 11.359 1.00 0.00 H new ATOM 2227 N GLY A 145 -12.402 -23.206 8.852 1.00 0.00 N ATOM 2228 CA GLY A 145 -12.894 -24.558 8.663 1.00 0.00 C ATOM 2229 C GLY A 145 -12.519 -25.477 9.808 1.00 0.00 C ATOM 2230 O GLY A 145 -11.412 -26.015 9.845 1.00 0.00 O ATOM 0 H GLY A 145 -11.391 -23.101 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -13.979 -24.535 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -12.494 -24.960 7.732 1.00 0.00 H new TER 2234 GLY A 145