USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 848 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 95 SER OG : rot -21:sc= 0.233 USER MOD Set 1.2: A 96 LYS NZ :NH3+ -126:sc= -1.15 (180deg=-2.7) USER MOD Set 2.1: A 55 MET CE :methyl -151:sc= -0.729 (180deg=-2.21) USER MOD Set 2.2: A 90 GLN :FLIP amide:sc= -1.59 F(o=-5.6!,f=-2.3) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0792 (180deg=-0.536) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.089) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.275) USER MOD Single : A 13 SER OG : rot -37:sc= 1.24 USER MOD Single : A 17 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.3!) USER MOD Single : A 21 GLN :FLIP amide:sc= -6.69! C(o=-10!,f=-6.7!) USER MOD Single : A 23 THR OG1 : rot -140:sc= 0.242 USER MOD Single : A 25 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.00043) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0746 X(o=-0.075,f=-0.54) USER MOD Single : A 40 TYR OH : rot -130:sc= -1.01 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0.27 (180deg=0.261) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 116:sc= 1.22 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 137:sc= -0.758 (180deg=-5.12!) USER MOD Single : A 70 ASN : amide:sc= -0.0705 X(o=-0.071,f=-0.051) USER MOD Single : A 71 GLN : amide:sc= -0.095 K(o=-0.095,f=-0.8) USER MOD Single : A 77 THR OG1 : rot 81:sc= 0.274 USER MOD Single : A 79 GLN : amide:sc= -8.87! C(o=-8.9!,f=-14!) USER MOD Single : A 80 THR OG1 : rot -12:sc= 0.629 USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= -0.0306 (180deg=-0.706) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -76:sc= 0.331 USER MOD Single : A 101 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.13) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -96:sc= 1.58 USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0931 (180deg=-0.475) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.570 -6.370 9.165 1.00 7.33 N ATOM 2 CA MET A 1 19.325 -5.855 8.540 1.00 7.27 C ATOM 3 C MET A 1 19.614 -4.630 7.678 1.00 6.81 C ATOM 4 O MET A 1 20.015 -3.583 8.186 1.00 7.12 O ATOM 5 CB MET A 1 18.300 -5.500 9.618 1.00 7.99 C ATOM 6 CG MET A 1 17.804 -6.702 10.406 1.00 8.65 C ATOM 7 SD MET A 1 16.538 -6.269 11.616 1.00 9.34 S ATOM 8 CE MET A 1 17.460 -5.178 12.697 1.00 9.99 C ATOM 0 H1 MET A 1 20.377 -7.285 9.620 1.00 7.33 H new ATOM 0 H2 MET A 1 21.300 -6.493 8.434 1.00 7.33 H new ATOM 0 H3 MET A 1 20.906 -5.693 9.879 1.00 7.33 H new ATOM 0 HA MET A 1 18.918 -6.639 7.901 1.00 7.27 H new ATOM 0 HB2 MET A 1 18.744 -4.782 10.308 1.00 7.99 H new ATOM 0 HB3 MET A 1 17.448 -5.007 9.149 1.00 7.99 H new ATOM 0 HG2 MET A 1 17.402 -7.443 9.715 1.00 8.65 H new ATOM 0 HG3 MET A 1 18.646 -7.168 10.918 1.00 8.65 H new ATOM 0 HE1 MET A 1 16.937 -5.081 13.648 1.00 9.99 H new ATOM 0 HE2 MET A 1 18.454 -5.591 12.870 1.00 9.99 H new ATOM 0 HE3 MET A 1 17.551 -4.197 12.232 1.00 9.99 H new ATOM 20 N ALA A 2 19.406 -4.769 6.373 1.00 6.40 N ATOM 21 CA ALA A 2 19.641 -3.674 5.441 1.00 6.31 C ATOM 22 C ALA A 2 18.685 -3.750 4.256 1.00 5.60 C ATOM 23 O ALA A 2 17.994 -2.781 3.940 1.00 5.72 O ATOM 24 CB ALA A 2 21.083 -3.693 4.958 1.00 6.96 C ATOM 0 H ALA A 2 19.075 -5.630 5.937 1.00 6.40 H new ATOM 0 HA ALA A 2 19.457 -2.736 5.965 1.00 6.31 H new ATOM 0 HB1 ALA A 2 21.245 -2.870 4.262 1.00 6.96 H new ATOM 0 HB2 ALA A 2 21.754 -3.585 5.810 1.00 6.96 H new ATOM 0 HB3 ALA A 2 21.286 -4.638 4.455 1.00 6.96 H new ATOM 30 N ALA A 3 18.651 -4.909 3.605 1.00 5.19 N ATOM 31 CA ALA A 3 17.780 -5.118 2.456 1.00 4.77 C ATOM 32 C ALA A 3 16.582 -5.985 2.826 1.00 4.00 C ATOM 33 O ALA A 3 16.719 -6.975 3.545 1.00 4.10 O ATOM 34 CB ALA A 3 18.560 -5.753 1.315 1.00 5.44 C ATOM 0 H ALA A 3 19.218 -5.719 3.855 1.00 5.19 H new ATOM 0 HA ALA A 3 17.406 -4.147 2.132 1.00 4.77 H new ATOM 0 HB1 ALA A 3 17.899 -5.904 0.462 1.00 5.44 H new ATOM 0 HB2 ALA A 3 19.381 -5.097 1.026 1.00 5.44 H new ATOM 0 HB3 ALA A 3 18.960 -6.714 1.638 1.00 5.44 H new ATOM 40 N GLY A 4 15.408 -5.604 2.331 1.00 3.77 N ATOM 41 CA GLY A 4 14.201 -6.355 2.622 1.00 3.60 C ATOM 42 C GLY A 4 13.288 -5.628 3.590 1.00 3.08 C ATOM 43 O GLY A 4 12.103 -5.945 3.694 1.00 3.63 O ATOM 0 H GLY A 4 15.272 -4.789 1.734 1.00 3.77 H new ATOM 0 HA2 GLY A 4 13.663 -6.547 1.694 1.00 3.60 H new ATOM 0 HA3 GLY A 4 14.471 -7.325 3.040 1.00 3.60 H new ATOM 47 N GLU A 5 13.843 -4.649 4.301 1.00 2.62 N ATOM 48 CA GLU A 5 13.073 -3.872 5.266 1.00 2.68 C ATOM 49 C GLU A 5 13.282 -2.375 5.050 1.00 2.07 C ATOM 50 O GLU A 5 14.415 -1.893 5.026 1.00 2.47 O ATOM 51 CB GLU A 5 13.470 -4.256 6.695 1.00 3.54 C ATOM 52 CG GLU A 5 12.734 -3.467 7.766 1.00 4.10 C ATOM 53 CD GLU A 5 13.101 -3.906 9.169 1.00 4.75 C ATOM 54 OE1 GLU A 5 14.176 -3.498 9.657 1.00 5.19 O ATOM 55 OE2 GLU A 5 12.313 -4.658 9.782 1.00 5.15 O ATOM 0 H GLU A 5 14.823 -4.376 4.226 1.00 2.62 H new ATOM 0 HA GLU A 5 12.017 -4.097 5.118 1.00 2.68 H new ATOM 0 HB2 GLU A 5 13.278 -5.319 6.843 1.00 3.54 H new ATOM 0 HB3 GLU A 5 14.543 -4.105 6.818 1.00 3.54 H new ATOM 0 HG2 GLU A 5 12.959 -2.407 7.650 1.00 4.10 H new ATOM 0 HG3 GLU A 5 11.660 -3.582 7.623 1.00 4.10 H new ATOM 62 N LEU A 6 12.181 -1.647 4.893 1.00 1.67 N ATOM 63 CA LEU A 6 12.237 -0.204 4.678 1.00 1.32 C ATOM 64 C LEU A 6 12.567 0.519 5.979 1.00 1.32 C ATOM 65 O LEU A 6 13.565 1.235 6.068 1.00 2.13 O ATOM 66 CB LEU A 6 10.905 0.307 4.115 1.00 1.13 C ATOM 67 CG LEU A 6 10.601 -0.093 2.666 1.00 1.02 C ATOM 68 CD1 LEU A 6 10.425 -1.599 2.543 1.00 1.73 C ATOM 69 CD2 LEU A 6 9.358 0.627 2.163 1.00 1.32 C ATOM 0 H LEU A 6 11.237 -2.033 4.911 1.00 1.67 H new ATOM 0 HA LEU A 6 13.026 0.003 3.954 1.00 1.32 H new ATOM 0 HB2 LEU A 6 10.098 -0.058 4.751 1.00 1.13 H new ATOM 0 HB3 LEU A 6 10.896 1.395 4.182 1.00 1.13 H new ATOM 0 HG LEU A 6 11.450 0.203 2.049 1.00 1.02 H new ATOM 0 HD11 LEU A 6 10.210 -1.857 1.506 1.00 1.73 H new ATOM 0 HD12 LEU A 6 11.340 -2.099 2.859 1.00 1.73 H new ATOM 0 HD13 LEU A 6 9.598 -1.922 3.176 1.00 1.73 H new ATOM 0 HD21 LEU A 6 9.158 0.331 1.133 1.00 1.32 H new ATOM 0 HD22 LEU A 6 8.506 0.362 2.789 1.00 1.32 H new ATOM 0 HD23 LEU A 6 9.519 1.704 2.206 1.00 1.32 H new ATOM 81 N GLU A 7 11.720 0.323 6.984 1.00 1.23 N ATOM 82 CA GLU A 7 11.912 0.947 8.289 1.00 1.34 C ATOM 83 C GLU A 7 10.915 0.392 9.300 1.00 1.46 C ATOM 84 O GLU A 7 10.907 0.795 10.465 1.00 2.09 O ATOM 85 CB GLU A 7 11.760 2.467 8.186 1.00 1.49 C ATOM 86 CG GLU A 7 10.374 2.914 7.750 1.00 1.34 C ATOM 87 CD GLU A 7 10.248 4.422 7.659 1.00 1.95 C ATOM 88 OE1 GLU A 7 9.889 5.051 8.677 1.00 2.22 O ATOM 89 OE2 GLU A 7 10.507 4.974 6.569 1.00 2.64 O ATOM 0 H GLU A 7 10.890 -0.266 6.919 1.00 1.23 H new ATOM 0 HA GLU A 7 12.922 0.718 8.630 1.00 1.34 H new ATOM 0 HB2 GLU A 7 11.988 2.913 9.154 1.00 1.49 H new ATOM 0 HB3 GLU A 7 12.495 2.850 7.478 1.00 1.49 H new ATOM 0 HG2 GLU A 7 10.144 2.475 6.779 1.00 1.34 H new ATOM 0 HG3 GLU A 7 9.635 2.534 8.455 1.00 1.34 H new ATOM 96 N GLY A 8 10.075 -0.534 8.847 1.00 1.36 N ATOM 97 CA GLY A 8 9.083 -1.132 9.722 1.00 1.61 C ATOM 98 C GLY A 8 7.768 -1.401 9.015 1.00 1.17 C ATOM 99 O GLY A 8 7.664 -1.233 7.799 1.00 1.38 O ATOM 0 H GLY A 8 10.064 -0.881 7.888 1.00 1.36 H new ATOM 0 HA2 GLY A 8 9.474 -2.067 10.123 1.00 1.61 H new ATOM 0 HA3 GLY A 8 8.907 -0.471 10.570 1.00 1.61 H new ATOM 103 N GLY A 9 6.764 -1.821 9.780 1.00 1.01 N ATOM 104 CA GLY A 9 5.459 -2.109 9.210 1.00 1.09 C ATOM 105 C GLY A 9 4.595 -0.870 9.075 1.00 1.08 C ATOM 106 O GLY A 9 3.643 -0.851 8.295 1.00 1.26 O ATOM 0 H GLY A 9 6.831 -1.967 10.787 1.00 1.01 H new ATOM 0 HA2 GLY A 9 5.588 -2.566 8.229 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.946 -2.839 9.837 1.00 1.09 H new ATOM 110 N LYS A 10 4.930 0.165 9.841 1.00 1.12 N ATOM 111 CA LYS A 10 4.182 1.420 9.816 1.00 1.33 C ATOM 112 C LYS A 10 4.021 1.964 8.391 1.00 1.14 C ATOM 113 O LYS A 10 2.914 2.323 7.992 1.00 1.22 O ATOM 114 CB LYS A 10 4.868 2.464 10.703 1.00 1.68 C ATOM 115 CG LYS A 10 4.157 3.806 10.723 1.00 2.23 C ATOM 116 CD LYS A 10 4.917 4.828 11.552 1.00 3.07 C ATOM 117 CE LYS A 10 4.210 6.173 11.563 1.00 3.89 C ATOM 118 NZ LYS A 10 2.832 6.071 12.119 1.00 4.57 N ATOM 0 H LYS A 10 5.718 0.159 10.489 1.00 1.12 H new ATOM 0 HA LYS A 10 3.185 1.213 10.205 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.930 2.080 11.721 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.891 2.609 10.355 1.00 1.68 H new ATOM 0 HG2 LYS A 10 4.045 4.174 9.703 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.153 3.681 11.129 1.00 2.23 H new ATOM 0 HD2 LYS A 10 5.023 4.463 12.574 1.00 3.07 H new ATOM 0 HD3 LYS A 10 5.923 4.948 11.150 1.00 3.07 H new ATOM 0 HE2 LYS A 10 4.789 6.883 12.154 1.00 3.89 H new ATOM 0 HE3 LYS A 10 4.164 6.567 10.548 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 2.465 7.024 12.315 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 2.214 5.597 11.430 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 2.853 5.520 13.001 1.00 4.57 H new ATOM 132 N PRO A 11 5.114 2.045 7.600 1.00 1.03 N ATOM 133 CA PRO A 11 5.043 2.556 6.225 1.00 1.05 C ATOM 134 C PRO A 11 4.277 1.627 5.290 1.00 0.77 C ATOM 135 O PRO A 11 3.349 2.051 4.604 1.00 0.72 O ATOM 136 CB PRO A 11 6.508 2.641 5.794 1.00 1.20 C ATOM 137 CG PRO A 11 7.210 1.643 6.648 1.00 1.49 C ATOM 138 CD PRO A 11 6.492 1.660 7.967 1.00 1.15 C ATOM 0 HA PRO A 11 4.512 3.507 6.182 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.624 2.408 4.735 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.908 3.644 5.945 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.178 0.651 6.198 1.00 1.49 H new ATOM 0 HG3 PRO A 11 8.261 1.903 6.771 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.521 0.685 8.453 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.938 2.374 8.659 1.00 1.15 H new ATOM 146 N LEU A 12 4.670 0.358 5.272 1.00 0.70 N ATOM 147 CA LEU A 12 4.034 -0.632 4.410 1.00 0.57 C ATOM 148 C LEU A 12 2.521 -0.665 4.610 1.00 0.48 C ATOM 149 O LEU A 12 1.774 -0.999 3.689 1.00 0.53 O ATOM 150 CB LEU A 12 4.630 -2.017 4.668 1.00 0.61 C ATOM 151 CG LEU A 12 4.226 -3.096 3.661 1.00 0.58 C ATOM 152 CD1 LEU A 12 4.622 -2.691 2.250 1.00 1.01 C ATOM 153 CD2 LEU A 12 4.860 -4.428 4.032 1.00 0.91 C ATOM 0 H LEU A 12 5.428 -0.010 5.846 1.00 0.70 H new ATOM 0 HA LEU A 12 4.226 -0.344 3.376 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.717 -1.933 4.670 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.333 -2.343 5.665 1.00 0.61 H new ATOM 0 HG LEU A 12 3.142 -3.206 3.691 1.00 0.58 H new ATOM 0 HD11 LEU A 12 4.325 -3.472 1.550 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.123 -1.759 1.986 1.00 1.01 H new ATOM 0 HD13 LEU A 12 5.702 -2.551 2.201 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.564 -5.186 3.307 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.945 -4.328 4.029 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.526 -4.726 5.026 1.00 0.91 H new ATOM 165 N SER A 13 2.070 -0.319 5.812 1.00 0.52 N ATOM 166 CA SER A 13 0.643 -0.315 6.115 1.00 0.61 C ATOM 167 C SER A 13 -0.021 0.944 5.567 1.00 0.58 C ATOM 168 O SER A 13 -1.214 0.949 5.266 1.00 0.69 O ATOM 169 CB SER A 13 0.417 -0.419 7.625 1.00 0.78 C ATOM 170 OG SER A 13 0.873 0.743 8.293 1.00 1.39 O ATOM 0 H SER A 13 2.669 -0.039 6.589 1.00 0.52 H new ATOM 0 HA SER A 13 0.189 -1.181 5.633 1.00 0.61 H new ATOM 0 HB2 SER A 13 -0.644 -0.565 7.827 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.939 -1.293 8.014 1.00 0.78 H new ATOM 0 HG SER A 13 1.693 1.066 7.865 1.00 1.39 H new ATOM 176 N GLY A 14 0.764 2.009 5.442 1.00 0.56 N ATOM 177 CA GLY A 14 0.245 3.260 4.921 1.00 0.59 C ATOM 178 C GLY A 14 0.747 3.553 3.521 1.00 0.55 C ATOM 179 O GLY A 14 0.592 4.664 3.020 1.00 0.58 O ATOM 0 H GLY A 14 1.752 2.028 5.693 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -0.844 3.224 4.914 1.00 0.59 H new ATOM 0 HA3 GLY A 14 0.532 4.075 5.586 1.00 0.59 H new ATOM 183 N LEU A 15 1.359 2.554 2.894 1.00 0.52 N ATOM 184 CA LEU A 15 1.892 2.703 1.543 1.00 0.52 C ATOM 185 C LEU A 15 0.768 2.888 0.533 1.00 0.46 C ATOM 186 O LEU A 15 0.697 3.911 -0.145 1.00 0.47 O ATOM 187 CB LEU A 15 2.724 1.478 1.166 1.00 0.57 C ATOM 188 CG LEU A 15 4.197 1.754 0.833 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.315 2.841 -0.223 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.971 2.141 2.084 1.00 1.10 C ATOM 0 H LEU A 15 1.499 1.629 3.301 1.00 0.52 H new ATOM 0 HA LEU A 15 2.526 3.590 1.526 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.684 0.766 1.990 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.260 0.996 0.306 1.00 0.57 H new ATOM 0 HG LEU A 15 4.630 0.837 0.433 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.367 3.021 -0.444 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.803 2.523 -1.131 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.860 3.759 0.148 1.00 0.97 H new ATOM 0 HD21 LEU A 15 6.012 2.332 1.823 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.535 3.041 2.518 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.921 1.328 2.808 1.00 1.10 H new ATOM 202 N LEU A 16 -0.110 1.892 0.439 1.00 0.45 N ATOM 203 CA LEU A 16 -1.237 1.952 -0.488 1.00 0.42 C ATOM 204 C LEU A 16 -2.006 3.255 -0.291 1.00 0.40 C ATOM 205 O LEU A 16 -2.741 3.700 -1.172 1.00 0.41 O ATOM 206 CB LEU A 16 -2.179 0.751 -0.293 1.00 0.47 C ATOM 207 CG LEU A 16 -1.520 -0.639 -0.233 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.363 -0.749 -1.219 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.051 -0.954 1.181 1.00 0.92 C ATOM 0 H LEU A 16 -0.063 1.036 0.992 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.844 1.915 -1.504 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.738 0.903 0.630 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.903 0.750 -1.108 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.273 -1.374 -0.519 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.080 -1.743 -1.151 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.731 -0.584 -2.232 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.391 0.001 -0.981 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.589 -1.941 1.200 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.324 -0.207 1.498 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.904 -0.940 1.859 1.00 0.92 H new ATOM 221 N ASN A 17 -1.823 3.856 0.881 1.00 0.40 N ATOM 222 CA ASN A 17 -2.476 5.112 1.227 1.00 0.42 C ATOM 223 C ASN A 17 -1.712 6.305 0.653 1.00 0.38 C ATOM 224 O ASN A 17 -2.276 7.127 -0.069 1.00 0.42 O ATOM 225 CB ASN A 17 -2.569 5.236 2.746 1.00 0.47 C ATOM 226 CG ASN A 17 -3.666 4.367 3.331 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.677 4.103 2.681 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.468 3.918 4.564 1.00 2.33 N ATOM 0 H ASN A 17 -1.219 3.486 1.615 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.477 5.112 0.796 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.613 4.958 3.190 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -2.753 6.277 3.012 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.170 3.328 5.011 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.614 4.163 5.065 1.00 2.33 H new ATOM 235 N ALA A 18 -0.427 6.392 0.987 1.00 0.37 N ATOM 236 CA ALA A 18 0.429 7.477 0.512 1.00 0.37 C ATOM 237 C ALA A 18 0.474 7.515 -1.013 1.00 0.38 C ATOM 238 O ALA A 18 0.606 8.578 -1.618 1.00 0.44 O ATOM 239 CB ALA A 18 1.833 7.307 1.069 1.00 0.42 C ATOM 0 H ALA A 18 0.048 5.719 1.589 1.00 0.37 H new ATOM 0 HA ALA A 18 0.011 8.421 0.862 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.467 8.119 0.712 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.797 7.327 2.158 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.243 6.353 0.737 1.00 0.42 H new ATOM 245 N LEU A 19 0.354 6.341 -1.625 1.00 0.42 N ATOM 246 CA LEU A 19 0.394 6.213 -3.079 1.00 0.48 C ATOM 247 C LEU A 19 -0.919 6.655 -3.721 1.00 0.52 C ATOM 248 O LEU A 19 -1.138 6.432 -4.912 1.00 0.69 O ATOM 249 CB LEU A 19 0.699 4.766 -3.464 1.00 0.51 C ATOM 250 CG LEU A 19 1.992 4.197 -2.876 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.049 2.691 -3.081 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.203 4.871 -3.502 1.00 0.94 C ATOM 0 H LEU A 19 0.227 5.457 -1.132 1.00 0.42 H new ATOM 0 HA LEU A 19 1.183 6.867 -3.450 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.134 4.138 -3.146 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.752 4.699 -4.551 1.00 0.51 H new ATOM 0 HG LEU A 19 2.005 4.399 -1.805 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.975 2.301 -2.657 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.198 2.224 -2.585 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.015 2.467 -4.147 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.114 4.454 -3.072 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.198 4.700 -4.579 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.166 5.942 -3.304 1.00 0.94 H new ATOM 264 N ALA A 20 -1.787 7.276 -2.931 1.00 0.54 N ATOM 265 CA ALA A 20 -3.074 7.747 -3.431 1.00 0.64 C ATOM 266 C ALA A 20 -2.900 8.633 -4.660 1.00 0.78 C ATOM 267 O ALA A 20 -3.244 8.237 -5.774 1.00 1.59 O ATOM 268 CB ALA A 20 -3.821 8.498 -2.339 1.00 0.76 C ATOM 0 H ALA A 20 -1.624 7.465 -1.942 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.659 6.876 -3.726 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.780 8.844 -2.726 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.990 7.834 -1.491 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.229 9.355 -2.017 1.00 0.76 H new ATOM 274 N GLN A 21 -2.359 9.831 -4.449 1.00 0.71 N ATOM 275 CA GLN A 21 -2.135 10.783 -5.537 1.00 0.81 C ATOM 276 C GLN A 21 -3.433 11.093 -6.276 1.00 1.05 C ATOM 277 O GLN A 21 -3.843 10.354 -7.171 1.00 1.54 O ATOM 278 CB GLN A 21 -1.088 10.245 -6.517 1.00 1.12 C ATOM 279 CG GLN A 21 0.340 10.636 -6.168 1.00 1.08 C ATOM 280 CD GLN A 21 0.755 10.165 -4.787 1.00 1.24 C ATOM 281 OE1 GLN A 21 1.671 10.896 -4.160 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 0.266 9.152 -4.292 1.00 1.21 N flip ATOM 0 H GLN A 21 -2.066 10.167 -3.532 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.764 11.708 -5.096 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -1.159 9.158 -6.549 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -1.320 10.609 -7.518 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.019 10.216 -6.910 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.439 11.720 -6.223 1.00 1.08 H new ATOM 0 HE21 GLN A 21 -0.435 8.620 -4.808 1.00 1.21 H new ATOM 0 HE22 GLN A 21 0.561 8.844 -3.366 1.00 1.21 H new ATOM 291 N ASP A 22 -4.070 12.197 -5.894 1.00 1.63 N ATOM 292 CA ASP A 22 -5.321 12.624 -6.514 1.00 2.08 C ATOM 293 C ASP A 22 -6.389 11.538 -6.423 1.00 1.93 C ATOM 294 O ASP A 22 -6.480 10.668 -7.289 1.00 2.22 O ATOM 295 CB ASP A 22 -5.089 13.004 -7.978 1.00 2.77 C ATOM 296 CG ASP A 22 -4.115 14.156 -8.129 1.00 3.37 C ATOM 297 OD1 ASP A 22 -2.898 13.896 -8.235 1.00 3.59 O ATOM 298 OD2 ASP A 22 -4.570 15.320 -8.141 1.00 4.03 O ATOM 0 H ASP A 22 -3.738 12.815 -5.154 1.00 1.63 H new ATOM 0 HA ASP A 22 -5.678 13.497 -5.968 1.00 2.08 H new ATOM 0 HB2 ASP A 22 -4.709 12.138 -8.520 1.00 2.77 H new ATOM 0 HB3 ASP A 22 -6.041 13.274 -8.436 1.00 2.77 H new ATOM 303 N THR A 23 -7.191 11.592 -5.363 1.00 1.87 N ATOM 304 CA THR A 23 -8.257 10.620 -5.159 1.00 2.12 C ATOM 305 C THR A 23 -9.545 11.071 -5.841 1.00 2.28 C ATOM 306 O THR A 23 -10.458 10.274 -6.057 1.00 2.68 O ATOM 307 CB THR A 23 -8.535 10.390 -3.662 1.00 2.43 C ATOM 308 OG1 THR A 23 -8.715 11.647 -2.999 1.00 3.06 O ATOM 309 CG2 THR A 23 -7.394 9.624 -3.008 1.00 2.29 C ATOM 0 H THR A 23 -7.121 12.300 -4.632 1.00 1.87 H new ATOM 0 HA THR A 23 -7.919 9.683 -5.602 1.00 2.12 H new ATOM 0 HB THR A 23 -9.445 9.798 -3.572 1.00 2.43 H new ATOM 0 HG1 THR A 23 -8.279 11.620 -2.122 1.00 3.06 H new ATOM 0 HG21 THR A 23 -7.615 9.475 -1.951 1.00 2.29 H new ATOM 0 HG22 THR A 23 -7.279 8.656 -3.495 1.00 2.29 H new ATOM 0 HG23 THR A 23 -6.469 10.192 -3.109 1.00 2.29 H new ATOM 317 N PHE A 24 -9.608 12.360 -6.176 1.00 2.25 N ATOM 318 CA PHE A 24 -10.778 12.934 -6.835 1.00 2.54 C ATOM 319 C PHE A 24 -12.029 12.773 -5.975 1.00 2.79 C ATOM 320 O PHE A 24 -13.151 12.869 -6.474 1.00 3.49 O ATOM 321 CB PHE A 24 -10.999 12.279 -8.202 1.00 2.58 C ATOM 322 CG PHE A 24 -9.855 12.472 -9.159 1.00 2.99 C ATOM 323 CD1 PHE A 24 -9.796 13.594 -9.970 1.00 3.46 C ATOM 324 CD2 PHE A 24 -8.843 11.531 -9.248 1.00 3.42 C ATOM 325 CE1 PHE A 24 -8.747 13.774 -10.854 1.00 4.14 C ATOM 326 CE2 PHE A 24 -7.792 11.704 -10.130 1.00 4.26 C ATOM 327 CZ PHE A 24 -7.744 12.826 -10.933 1.00 4.53 C ATOM 0 H PHE A 24 -8.858 13.028 -6.000 1.00 2.25 H new ATOM 0 HA PHE A 24 -10.591 13.999 -6.975 1.00 2.54 H new ATOM 0 HB2 PHE A 24 -11.166 11.211 -8.060 1.00 2.58 H new ATOM 0 HB3 PHE A 24 -11.906 12.687 -8.648 1.00 2.58 H new ATOM 0 HD1 PHE A 24 -10.578 14.337 -9.911 1.00 3.46 H new ATOM 0 HD2 PHE A 24 -8.875 10.652 -8.621 1.00 3.42 H new ATOM 0 HE1 PHE A 24 -8.712 14.653 -11.481 1.00 4.14 H new ATOM 0 HE2 PHE A 24 -7.010 10.962 -10.191 1.00 4.26 H new ATOM 0 HZ PHE A 24 -6.924 12.963 -11.622 1.00 4.53 H new ATOM 337 N HIS A 25 -11.832 12.535 -4.682 1.00 2.92 N ATOM 338 CA HIS A 25 -12.948 12.361 -3.757 1.00 3.82 C ATOM 339 C HIS A 25 -12.475 12.441 -2.308 1.00 4.29 C ATOM 340 O HIS A 25 -13.171 12.977 -1.446 1.00 5.21 O ATOM 341 CB HIS A 25 -13.638 11.019 -4.006 1.00 4.09 C ATOM 342 CG HIS A 25 -14.903 10.838 -3.225 1.00 4.34 C ATOM 343 ND1 HIS A 25 -16.155 11.033 -3.769 1.00 4.48 N ATOM 344 CD2 HIS A 25 -15.108 10.473 -1.936 1.00 4.95 C ATOM 345 CE1 HIS A 25 -17.073 10.799 -2.849 1.00 5.04 C ATOM 346 NE2 HIS A 25 -16.465 10.457 -1.729 1.00 5.34 N ATOM 0 H HIS A 25 -10.911 12.458 -4.251 1.00 2.92 H new ATOM 0 HA HIS A 25 -13.660 13.168 -3.932 1.00 3.82 H new ATOM 0 HB2 HIS A 25 -13.861 10.927 -5.069 1.00 4.09 H new ATOM 0 HB3 HIS A 25 -12.948 10.214 -3.755 1.00 4.09 H new ATOM 0 HD2 HIS A 25 -14.346 10.238 -1.208 1.00 4.95 H new ATOM 0 HE1 HIS A 25 -18.141 10.875 -2.990 1.00 5.04 H new ATOM 0 HE2 HIS A 25 -16.928 10.219 -0.852 1.00 5.34 H new ATOM 355 N GLY A 26 -11.286 11.903 -2.049 1.00 3.87 N ATOM 356 CA GLY A 26 -10.740 11.919 -0.705 1.00 4.35 C ATOM 357 C GLY A 26 -10.170 13.271 -0.324 1.00 3.82 C ATOM 358 O GLY A 26 -10.784 14.306 -0.580 1.00 3.81 O ATOM 0 H GLY A 26 -10.692 11.456 -2.747 1.00 3.87 H new ATOM 0 HA2 GLY A 26 -11.521 11.645 0.004 1.00 4.35 H new ATOM 0 HA3 GLY A 26 -9.958 11.164 -0.625 1.00 4.35 H new ATOM 362 N TYR A 27 -8.991 13.260 0.291 1.00 3.61 N ATOM 363 CA TYR A 27 -8.335 14.494 0.711 1.00 3.21 C ATOM 364 C TYR A 27 -7.290 14.929 -0.319 1.00 2.51 C ATOM 365 O TYR A 27 -6.299 14.230 -0.533 1.00 2.56 O ATOM 366 CB TYR A 27 -7.676 14.297 2.078 1.00 3.64 C ATOM 367 CG TYR A 27 -7.225 15.587 2.730 1.00 4.16 C ATOM 368 CD1 TYR A 27 -8.136 16.594 3.024 1.00 4.99 C ATOM 369 CD2 TYR A 27 -5.892 15.792 3.057 1.00 4.26 C ATOM 370 CE1 TYR A 27 -7.729 17.771 3.622 1.00 5.76 C ATOM 371 CE2 TYR A 27 -5.478 16.968 3.656 1.00 5.19 C ATOM 372 CZ TYR A 27 -6.399 17.952 3.935 1.00 5.88 C ATOM 373 OH TYR A 27 -5.990 19.124 4.531 1.00 6.91 O ATOM 0 H TYR A 27 -8.470 12.410 0.510 1.00 3.61 H new ATOM 0 HA TYR A 27 -9.089 15.278 0.788 1.00 3.21 H new ATOM 0 HB2 TYR A 27 -8.379 13.792 2.741 1.00 3.64 H new ATOM 0 HB3 TYR A 27 -6.815 13.638 1.965 1.00 3.64 H new ATOM 0 HD1 TYR A 27 -9.179 16.454 2.781 1.00 4.99 H new ATOM 0 HD2 TYR A 27 -5.167 15.022 2.840 1.00 4.26 H new ATOM 0 HE1 TYR A 27 -8.449 18.545 3.843 1.00 5.76 H new ATOM 0 HE2 TYR A 27 -4.437 17.113 3.904 1.00 5.19 H new ATOM 0 HH TYR A 27 -5.023 19.092 4.687 1.00 6.91 H new ATOM 383 N PRO A 28 -7.493 16.091 -0.974 1.00 2.25 N ATOM 384 CA PRO A 28 -6.561 16.602 -1.988 1.00 2.05 C ATOM 385 C PRO A 28 -5.184 16.928 -1.415 1.00 1.79 C ATOM 386 O PRO A 28 -4.272 17.306 -2.149 1.00 2.41 O ATOM 387 CB PRO A 28 -7.236 17.883 -2.498 1.00 2.45 C ATOM 388 CG PRO A 28 -8.659 17.771 -2.074 1.00 2.79 C ATOM 389 CD PRO A 28 -8.644 16.992 -0.792 1.00 2.71 C ATOM 0 HA PRO A 28 -6.379 15.860 -2.765 1.00 2.05 H new ATOM 0 HB2 PRO A 28 -6.767 18.771 -2.073 1.00 2.45 H new ATOM 0 HB3 PRO A 28 -7.154 17.967 -3.582 1.00 2.45 H new ATOM 0 HG2 PRO A 28 -9.102 18.756 -1.928 1.00 2.79 H new ATOM 0 HG3 PRO A 28 -9.254 17.263 -2.833 1.00 2.79 H new ATOM 0 HD2 PRO A 28 -8.517 17.641 0.075 1.00 2.71 H new ATOM 0 HD3 PRO A 28 -9.572 16.439 -0.643 1.00 2.71 H new ATOM 397 N GLY A 29 -5.041 16.779 -0.102 1.00 1.45 N ATOM 398 CA GLY A 29 -3.772 17.067 0.543 1.00 1.37 C ATOM 399 C GLY A 29 -2.656 16.157 0.069 1.00 1.15 C ATOM 400 O GLY A 29 -1.480 16.511 0.158 1.00 1.42 O ATOM 0 H GLY A 29 -5.780 16.464 0.527 1.00 1.45 H new ATOM 0 HA2 GLY A 29 -3.497 18.104 0.349 1.00 1.37 H new ATOM 0 HA3 GLY A 29 -3.886 16.964 1.622 1.00 1.37 H new ATOM 404 N ILE A 30 -3.024 14.982 -0.433 1.00 1.02 N ATOM 405 CA ILE A 30 -2.044 14.019 -0.919 1.00 0.84 C ATOM 406 C ILE A 30 -1.220 14.610 -2.064 1.00 0.87 C ATOM 407 O ILE A 30 -1.746 15.330 -2.912 1.00 1.18 O ATOM 408 CB ILE A 30 -2.727 12.715 -1.386 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.691 11.613 -1.619 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.549 12.958 -2.644 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.076 11.080 -0.342 1.00 0.75 C ATOM 0 H ILE A 30 -3.993 14.675 -0.513 1.00 1.02 H new ATOM 0 HA ILE A 30 -1.378 13.784 -0.089 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.403 12.384 -0.597 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.163 10.790 -2.156 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.899 12.000 -2.260 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.021 12.026 -2.956 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.317 13.703 -2.438 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.898 13.319 -3.440 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.351 10.302 -0.584 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.575 11.891 0.187 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.858 10.662 0.292 1.00 0.75 H new ATOM 423 N THR A 31 0.075 14.307 -2.075 1.00 0.88 N ATOM 424 CA THR A 31 0.974 14.813 -3.109 1.00 0.97 C ATOM 425 C THR A 31 2.161 13.872 -3.301 1.00 0.86 C ATOM 426 O THR A 31 2.483 13.083 -2.416 1.00 0.78 O ATOM 427 CB THR A 31 1.490 16.223 -2.750 1.00 1.07 C ATOM 428 OG1 THR A 31 0.397 17.057 -2.350 1.00 1.72 O ATOM 429 CG2 THR A 31 2.210 16.864 -3.929 1.00 1.06 C ATOM 0 H THR A 31 0.526 13.713 -1.379 1.00 0.88 H new ATOM 0 HA THR A 31 0.408 14.869 -4.039 1.00 0.97 H new ATOM 0 HB THR A 31 2.197 16.121 -1.927 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.733 17.949 -2.122 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.562 17.856 -3.645 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.061 16.246 -4.216 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.524 16.950 -4.771 1.00 1.06 H new ATOM 437 N GLU A 32 2.803 13.955 -4.465 1.00 0.93 N ATOM 438 CA GLU A 32 3.953 13.105 -4.768 1.00 0.95 C ATOM 439 C GLU A 32 5.037 13.240 -3.702 1.00 0.84 C ATOM 440 O GLU A 32 5.668 12.255 -3.322 1.00 0.91 O ATOM 441 CB GLU A 32 4.523 13.452 -6.144 1.00 1.15 C ATOM 442 CG GLU A 32 3.552 13.195 -7.284 1.00 1.47 C ATOM 443 CD GLU A 32 4.129 13.567 -8.637 1.00 1.59 C ATOM 444 OE1 GLU A 32 3.958 14.731 -9.055 1.00 1.98 O ATOM 445 OE2 GLU A 32 4.754 12.695 -9.276 1.00 1.56 O ATOM 0 H GLU A 32 2.547 14.601 -5.212 1.00 0.93 H new ATOM 0 HA GLU A 32 3.611 12.070 -4.775 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.813 14.503 -6.154 1.00 1.15 H new ATOM 0 HB3 GLU A 32 5.429 12.870 -6.311 1.00 1.15 H new ATOM 0 HG2 GLU A 32 3.274 12.141 -7.289 1.00 1.47 H new ATOM 0 HG3 GLU A 32 2.638 13.765 -7.114 1.00 1.47 H new ATOM 452 N GLU A 33 5.258 14.460 -3.229 1.00 0.80 N ATOM 453 CA GLU A 33 6.263 14.706 -2.200 1.00 0.79 C ATOM 454 C GLU A 33 5.663 14.496 -0.815 1.00 0.64 C ATOM 455 O GLU A 33 6.378 14.411 0.184 1.00 0.70 O ATOM 456 CB GLU A 33 6.814 16.129 -2.319 1.00 0.97 C ATOM 457 CG GLU A 33 7.960 16.420 -1.362 1.00 1.63 C ATOM 458 CD GLU A 33 8.345 17.885 -1.342 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.207 18.284 -2.154 1.00 2.36 O ATOM 460 OE2 GLU A 33 7.785 18.635 -0.515 1.00 2.64 O ATOM 0 H GLU A 33 4.757 15.293 -3.539 1.00 0.80 H new ATOM 0 HA GLU A 33 7.081 14.000 -2.343 1.00 0.79 H new ATOM 0 HB2 GLU A 33 7.155 16.294 -3.341 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.008 16.839 -2.134 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.677 16.109 -0.357 1.00 1.63 H new ATOM 0 HG3 GLU A 33 8.827 15.824 -1.647 1.00 1.63 H new ATOM 467 N LEU A 34 4.340 14.404 -0.771 1.00 0.54 N ATOM 468 CA LEU A 34 3.621 14.217 0.482 1.00 0.49 C ATOM 469 C LEU A 34 3.564 12.741 0.876 1.00 0.43 C ATOM 470 O LEU A 34 3.596 12.410 2.061 1.00 0.46 O ATOM 471 CB LEU A 34 2.205 14.794 0.348 1.00 0.57 C ATOM 472 CG LEU A 34 1.350 14.813 1.623 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.673 13.469 1.832 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.186 15.191 2.840 1.00 1.48 C ATOM 0 H LEU A 34 3.740 14.456 -1.594 1.00 0.54 H new ATOM 0 HA LEU A 34 4.155 14.745 1.272 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.287 15.816 -0.023 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.673 14.220 -0.411 1.00 0.57 H new ATOM 0 HG LEU A 34 0.578 15.572 1.499 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.072 13.502 2.740 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.031 13.249 0.979 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.430 12.691 1.926 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.554 15.196 3.728 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.988 14.465 2.970 1.00 1.48 H new ATOM 0 HD23 LEU A 34 2.614 16.183 2.693 1.00 1.48 H new ATOM 486 N LEU A 35 3.484 11.859 -0.119 1.00 0.45 N ATOM 487 CA LEU A 35 3.415 10.422 0.137 1.00 0.49 C ATOM 488 C LEU A 35 4.602 9.963 0.975 1.00 0.43 C ATOM 489 O LEU A 35 4.474 9.082 1.825 1.00 0.50 O ATOM 490 CB LEU A 35 3.361 9.638 -1.182 1.00 0.63 C ATOM 491 CG LEU A 35 4.641 9.663 -2.023 1.00 0.64 C ATOM 492 CD1 LEU A 35 5.553 8.508 -1.646 1.00 0.89 C ATOM 493 CD2 LEU A 35 4.309 9.609 -3.507 1.00 1.08 C ATOM 0 H LEU A 35 3.465 12.113 -1.107 1.00 0.45 H new ATOM 0 HA LEU A 35 2.501 10.224 0.697 1.00 0.49 H new ATOM 0 HB2 LEU A 35 3.117 8.600 -0.956 1.00 0.63 H new ATOM 0 HB3 LEU A 35 2.544 10.034 -1.785 1.00 0.63 H new ATOM 0 HG LEU A 35 5.163 10.598 -1.818 1.00 0.64 H new ATOM 0 HD11 LEU A 35 6.456 8.544 -2.255 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.822 8.586 -0.593 1.00 0.89 H new ATOM 0 HD13 LEU A 35 5.036 7.564 -1.820 1.00 0.89 H new ATOM 0 HD21 LEU A 35 5.232 9.628 -4.087 1.00 1.08 H new ATOM 0 HD22 LEU A 35 3.762 8.691 -3.724 1.00 1.08 H new ATOM 0 HD23 LEU A 35 3.695 10.469 -3.774 1.00 1.08 H new ATOM 505 N ARG A 36 5.757 10.565 0.723 1.00 0.38 N ATOM 506 CA ARG A 36 6.972 10.226 1.448 1.00 0.38 C ATOM 507 C ARG A 36 6.883 10.681 2.901 1.00 0.34 C ATOM 508 O ARG A 36 6.909 9.865 3.821 1.00 0.37 O ATOM 509 CB ARG A 36 8.183 10.867 0.767 1.00 0.46 C ATOM 510 CG ARG A 36 9.418 10.940 1.648 1.00 1.18 C ATOM 511 CD ARG A 36 10.556 11.657 0.942 1.00 1.73 C ATOM 512 NE ARG A 36 11.547 12.175 1.882 1.00 2.64 N ATOM 513 CZ ARG A 36 12.376 13.177 1.603 1.00 3.41 C ATOM 514 NH1 ARG A 36 12.335 13.768 0.417 1.00 3.46 N ATOM 515 NH2 ARG A 36 13.248 13.589 2.514 1.00 4.28 N ATOM 0 H ARG A 36 5.877 11.293 0.019 1.00 0.38 H new ATOM 0 HA ARG A 36 7.088 9.142 1.437 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.424 10.300 -0.133 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.917 11.875 0.448 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.176 11.460 2.575 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.733 9.933 1.921 1.00 1.18 H new ATOM 0 HD2 ARG A 36 11.040 10.971 0.247 1.00 1.73 H new ATOM 0 HD3 ARG A 36 10.154 12.479 0.350 1.00 1.73 H new ATOM 0 HE ARG A 36 11.607 11.744 2.804 1.00 2.64 H new ATOM 0 HH11 ARG A 36 11.666 13.455 -0.286 1.00 3.46 H new ATOM 0 HH12 ARG A 36 12.973 14.536 0.208 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.283 13.137 3.428 1.00 4.28 H new ATOM 0 HH22 ARG A 36 13.884 14.357 2.300 1.00 4.28 H new ATOM 529 N SER A 37 6.774 11.990 3.094 1.00 0.36 N ATOM 530 CA SER A 37 6.685 12.564 4.429 1.00 0.40 C ATOM 531 C SER A 37 5.513 11.974 5.210 1.00 0.40 C ATOM 532 O SER A 37 5.487 12.029 6.439 1.00 0.46 O ATOM 533 CB SER A 37 6.536 14.083 4.342 1.00 0.47 C ATOM 534 OG SER A 37 6.387 14.658 5.629 1.00 1.33 O ATOM 0 H SER A 37 6.745 12.675 2.339 1.00 0.36 H new ATOM 0 HA SER A 37 7.606 12.320 4.959 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.410 14.509 3.849 1.00 0.47 H new ATOM 0 HB3 SER A 37 5.671 14.332 3.727 1.00 0.47 H new ATOM 0 HG SER A 37 6.295 15.630 5.544 1.00 1.33 H new ATOM 540 N GLN A 38 4.548 11.407 4.489 1.00 0.36 N ATOM 541 CA GLN A 38 3.370 10.822 5.116 1.00 0.39 C ATOM 542 C GLN A 38 3.742 9.689 6.075 1.00 0.43 C ATOM 543 O GLN A 38 3.262 9.653 7.209 1.00 0.67 O ATOM 544 CB GLN A 38 2.399 10.318 4.046 1.00 0.42 C ATOM 545 CG GLN A 38 1.027 10.969 4.120 1.00 0.74 C ATOM 546 CD GLN A 38 0.314 10.684 5.428 1.00 1.11 C ATOM 547 OE1 GLN A 38 0.482 11.406 6.410 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.495 9.630 5.445 1.00 1.84 N ATOM 0 H GLN A 38 4.561 11.341 3.471 1.00 0.36 H new ATOM 0 HA GLN A 38 2.884 11.601 5.703 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.828 10.503 3.061 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.287 9.239 4.147 1.00 0.42 H new ATOM 0 HG2 GLN A 38 1.134 12.047 3.996 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.415 10.612 3.292 1.00 0.74 H new ATOM 0 HE21 GLN A 38 -0.605 9.058 4.608 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.006 9.393 6.295 1.00 1.84 H new ATOM 557 N LEU A 39 4.594 8.766 5.627 1.00 0.41 N ATOM 558 CA LEU A 39 5.006 7.648 6.476 1.00 0.53 C ATOM 559 C LEU A 39 6.522 7.437 6.457 1.00 0.51 C ATOM 560 O LEU A 39 7.136 7.269 7.510 1.00 0.61 O ATOM 561 CB LEU A 39 4.296 6.350 6.068 1.00 0.69 C ATOM 562 CG LEU A 39 3.556 6.384 4.728 1.00 0.78 C ATOM 563 CD1 LEU A 39 3.479 4.986 4.139 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.157 6.956 4.902 1.00 1.07 C ATOM 0 H LEU A 39 5.007 8.769 4.694 1.00 0.41 H new ATOM 0 HA LEU A 39 4.714 7.908 7.494 1.00 0.53 H new ATOM 0 HB2 LEU A 39 5.036 5.550 6.032 1.00 0.69 H new ATOM 0 HB3 LEU A 39 3.582 6.089 6.849 1.00 0.69 H new ATOM 0 HG LEU A 39 4.109 7.028 4.044 1.00 0.78 H new ATOM 0 HD11 LEU A 39 2.951 5.021 3.186 1.00 1.09 H new ATOM 0 HD12 LEU A 39 4.487 4.602 3.981 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.944 4.331 4.826 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.648 6.972 3.938 1.00 1.07 H new ATOM 0 HD22 LEU A 39 1.594 6.336 5.600 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.225 7.971 5.293 1.00 1.07 H new ATOM 576 N TYR A 40 7.123 7.436 5.267 1.00 0.46 N ATOM 577 CA TYR A 40 8.571 7.236 5.149 1.00 0.48 C ATOM 578 C TYR A 40 9.296 8.529 4.790 1.00 0.42 C ATOM 579 O TYR A 40 9.482 8.827 3.614 1.00 0.46 O ATOM 580 CB TYR A 40 8.901 6.162 4.104 1.00 0.58 C ATOM 581 CG TYR A 40 7.952 6.109 2.928 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.777 5.374 2.993 1.00 0.99 C ATOM 583 CD2 TYR A 40 8.241 6.779 1.746 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.917 5.308 1.916 1.00 1.38 C ATOM 585 CE2 TYR A 40 7.382 6.720 0.665 1.00 1.30 C ATOM 586 CZ TYR A 40 6.223 5.981 0.756 1.00 1.48 C ATOM 587 OH TYR A 40 5.367 5.911 -0.318 1.00 1.97 O ATOM 0 H TYR A 40 6.638 7.570 4.380 1.00 0.46 H new ATOM 0 HA TYR A 40 8.918 6.903 6.127 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.910 6.336 3.731 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.906 5.188 4.593 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.531 4.845 3.902 1.00 0.99 H new ATOM 0 HD2 TYR A 40 9.151 7.355 1.671 1.00 0.89 H new ATOM 0 HE1 TYR A 40 5.007 4.730 1.984 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.618 7.250 -0.246 1.00 1.30 H new ATOM 0 HH TYR A 40 5.872 5.678 -1.125 1.00 1.97 H new ATOM 597 N PRO A 41 9.724 9.316 5.796 1.00 0.47 N ATOM 598 CA PRO A 41 10.441 10.567 5.560 1.00 0.51 C ATOM 599 C PRO A 41 11.919 10.333 5.262 1.00 0.57 C ATOM 600 O PRO A 41 12.705 11.278 5.187 1.00 0.79 O ATOM 601 CB PRO A 41 10.276 11.310 6.883 1.00 0.66 C ATOM 602 CG PRO A 41 10.209 10.230 7.907 1.00 0.75 C ATOM 603 CD PRO A 41 9.539 9.054 7.240 1.00 0.62 C ATOM 0 HA PRO A 41 10.057 11.109 4.696 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.114 11.982 7.069 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.372 11.919 6.887 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.206 9.963 8.256 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.643 10.556 8.780 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.997 8.111 7.537 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.483 8.993 7.504 1.00 0.62 H new ATOM 611 N GLU A 42 12.290 9.065 5.093 1.00 0.48 N ATOM 612 CA GLU A 42 13.675 8.704 4.810 1.00 0.55 C ATOM 613 C GLU A 42 13.889 8.439 3.320 1.00 0.57 C ATOM 614 O GLU A 42 14.817 8.978 2.717 1.00 0.71 O ATOM 615 CB GLU A 42 14.082 7.477 5.632 1.00 0.59 C ATOM 616 CG GLU A 42 13.136 6.295 5.482 1.00 0.58 C ATOM 617 CD GLU A 42 13.539 5.115 6.346 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.249 5.142 7.560 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.147 4.165 5.808 1.00 0.94 O ATOM 0 H GLU A 42 11.650 8.272 5.147 1.00 0.48 H new ATOM 0 HA GLU A 42 14.305 9.547 5.093 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.084 7.168 5.334 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.134 7.757 6.684 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.126 6.607 5.747 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.111 5.984 4.437 1.00 0.58 H new ATOM 626 N VAL A 43 13.030 7.612 2.731 1.00 0.52 N ATOM 627 CA VAL A 43 13.139 7.289 1.312 1.00 0.60 C ATOM 628 C VAL A 43 12.544 8.419 0.463 1.00 0.51 C ATOM 629 O VAL A 43 11.434 8.874 0.726 1.00 0.52 O ATOM 630 CB VAL A 43 12.449 5.938 0.988 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.320 6.100 -0.022 1.00 0.90 C ATOM 632 CG2 VAL A 43 13.473 4.933 0.483 1.00 0.99 C ATOM 0 H VAL A 43 12.255 7.155 3.211 1.00 0.52 H new ATOM 0 HA VAL A 43 14.196 7.187 1.068 1.00 0.60 H new ATOM 0 HB VAL A 43 12.006 5.566 1.912 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.866 5.129 -0.219 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.567 6.778 0.380 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.718 6.509 -0.950 1.00 0.90 H new ATOM 0 HG21 VAL A 43 12.976 3.989 0.259 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.945 5.318 -0.421 1.00 0.99 H new ATOM 0 HG23 VAL A 43 14.232 4.771 1.248 1.00 0.99 H new ATOM 642 N PRO A 44 13.281 8.892 -0.564 1.00 0.56 N ATOM 643 CA PRO A 44 12.814 9.981 -1.433 1.00 0.54 C ATOM 644 C PRO A 44 11.473 9.671 -2.095 1.00 0.54 C ATOM 645 O PRO A 44 11.110 8.506 -2.257 1.00 0.60 O ATOM 646 CB PRO A 44 13.914 10.098 -2.491 1.00 0.64 C ATOM 647 CG PRO A 44 15.121 9.501 -1.858 1.00 0.67 C ATOM 648 CD PRO A 44 14.617 8.410 -0.959 1.00 0.76 C ATOM 0 HA PRO A 44 12.646 10.899 -0.869 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.643 9.566 -3.403 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.087 11.138 -2.768 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.801 9.103 -2.611 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.675 10.249 -1.291 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.563 7.453 -1.478 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.266 8.268 -0.095 1.00 0.76 H new ATOM 656 N PRO A 45 10.713 10.716 -2.489 1.00 0.56 N ATOM 657 CA PRO A 45 9.411 10.552 -3.140 1.00 0.67 C ATOM 658 C PRO A 45 9.546 10.074 -4.584 1.00 0.77 C ATOM 659 O PRO A 45 8.592 10.139 -5.359 1.00 1.08 O ATOM 660 CB PRO A 45 8.798 11.964 -3.108 1.00 0.72 C ATOM 661 CG PRO A 45 9.686 12.762 -2.210 1.00 0.63 C ATOM 662 CD PRO A 45 11.043 12.137 -2.328 1.00 0.56 C ATOM 0 HA PRO A 45 8.803 9.801 -2.636 1.00 0.67 H new ATOM 0 HB2 PRO A 45 8.758 12.398 -4.107 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.776 11.940 -2.730 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.709 13.809 -2.511 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.330 12.734 -1.180 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.598 12.526 -3.182 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.653 12.316 -1.443 1.00 0.56 H new ATOM 670 N GLU A 46 10.739 9.604 -4.941 1.00 0.65 N ATOM 671 CA GLU A 46 11.001 9.116 -6.291 1.00 0.77 C ATOM 672 C GLU A 46 11.744 7.783 -6.254 1.00 0.71 C ATOM 673 O GLU A 46 11.527 6.916 -7.101 1.00 0.81 O ATOM 674 CB GLU A 46 11.818 10.147 -7.077 1.00 0.92 C ATOM 675 CG GLU A 46 12.178 9.699 -8.484 1.00 1.61 C ATOM 676 CD GLU A 46 10.957 9.471 -9.355 1.00 2.17 C ATOM 677 OE1 GLU A 46 10.400 8.354 -9.315 1.00 3.02 O ATOM 678 OE2 GLU A 46 10.559 10.408 -10.079 1.00 2.25 O ATOM 0 H GLU A 46 11.540 9.551 -4.312 1.00 0.65 H new ATOM 0 HA GLU A 46 10.043 8.963 -6.788 1.00 0.77 H new ATOM 0 HB2 GLU A 46 11.253 11.077 -7.135 1.00 0.92 H new ATOM 0 HB3 GLU A 46 12.735 10.365 -6.529 1.00 0.92 H new ATOM 0 HG2 GLU A 46 12.816 10.451 -8.949 1.00 1.61 H new ATOM 0 HG3 GLU A 46 12.758 8.778 -8.431 1.00 1.61 H new ATOM 685 N GLU A 47 12.619 7.628 -5.265 1.00 0.63 N ATOM 686 CA GLU A 47 13.399 6.403 -5.115 1.00 0.66 C ATOM 687 C GLU A 47 12.596 5.324 -4.392 1.00 0.55 C ATOM 688 O GLU A 47 13.142 4.302 -3.981 1.00 0.59 O ATOM 689 CB GLU A 47 14.695 6.690 -4.355 1.00 0.81 C ATOM 690 CG GLU A 47 15.736 7.427 -5.187 1.00 1.25 C ATOM 691 CD GLU A 47 17.017 7.693 -4.420 1.00 1.42 C ATOM 692 OE1 GLU A 47 17.729 6.720 -4.096 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.309 8.876 -4.144 1.00 1.58 O ATOM 0 H GLU A 47 12.806 8.336 -4.555 1.00 0.63 H new ATOM 0 HA GLU A 47 13.643 6.035 -6.112 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.464 7.282 -3.469 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.119 5.748 -4.008 1.00 0.81 H new ATOM 0 HG2 GLU A 47 15.965 6.841 -6.077 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.318 8.374 -5.528 1.00 1.25 H new ATOM 700 N PHE A 48 11.301 5.566 -4.229 1.00 0.48 N ATOM 701 CA PHE A 48 10.419 4.614 -3.563 1.00 0.45 C ATOM 702 C PHE A 48 10.010 3.482 -4.508 1.00 0.41 C ATOM 703 O PHE A 48 9.671 2.386 -4.065 1.00 0.45 O ATOM 704 CB PHE A 48 9.174 5.328 -3.027 1.00 0.54 C ATOM 705 CG PHE A 48 8.251 5.830 -4.102 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.624 6.881 -4.924 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.008 5.251 -4.289 1.00 1.41 C ATOM 708 CE1 PHE A 48 7.774 7.343 -5.911 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.154 5.709 -5.274 1.00 2.36 C ATOM 710 CZ PHE A 48 6.538 6.756 -6.086 1.00 3.35 C ATOM 0 H PHE A 48 10.837 6.416 -4.550 1.00 0.48 H new ATOM 0 HA PHE A 48 10.967 4.177 -2.728 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.625 4.644 -2.380 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.487 6.169 -2.408 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.590 7.345 -4.792 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.702 4.431 -3.657 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.077 8.163 -6.545 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.187 5.248 -5.408 1.00 2.36 H new ATOM 0 HZ PHE A 48 5.872 7.115 -6.857 1.00 3.35 H new ATOM 720 N ARG A 49 10.052 3.760 -5.808 1.00 0.43 N ATOM 721 CA ARG A 49 9.670 2.783 -6.828 1.00 0.47 C ATOM 722 C ARG A 49 10.485 1.487 -6.750 1.00 0.49 C ATOM 723 O ARG A 49 9.907 0.405 -6.751 1.00 0.52 O ATOM 724 CB ARG A 49 9.807 3.391 -8.220 1.00 0.58 C ATOM 725 CG ARG A 49 8.884 4.573 -8.459 1.00 1.06 C ATOM 726 CD ARG A 49 7.441 4.126 -8.631 1.00 1.14 C ATOM 727 NE ARG A 49 6.558 5.244 -8.949 1.00 1.80 N ATOM 728 CZ ARG A 49 5.249 5.121 -9.146 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.669 3.930 -9.058 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.519 6.188 -9.433 1.00 3.07 N ATOM 0 H ARG A 49 10.349 4.661 -6.184 1.00 0.43 H new ATOM 0 HA ARG A 49 8.630 2.523 -6.634 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.839 3.710 -8.368 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.601 2.623 -8.965 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.954 5.266 -7.621 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.207 5.114 -9.348 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.384 3.381 -9.425 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.099 3.643 -7.716 1.00 1.14 H new ATOM 0 HE ARG A 49 6.969 6.174 -9.024 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.228 3.105 -8.839 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.664 3.840 -9.210 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.961 7.105 -9.503 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.515 6.093 -9.584 1.00 3.07 H new ATOM 744 N PRO A 50 11.836 1.560 -6.706 1.00 0.52 N ATOM 745 CA PRO A 50 12.674 0.359 -6.638 1.00 0.59 C ATOM 746 C PRO A 50 12.234 -0.581 -5.526 1.00 0.58 C ATOM 747 O PRO A 50 12.387 -1.798 -5.633 1.00 0.68 O ATOM 748 CB PRO A 50 14.087 0.897 -6.372 1.00 0.63 C ATOM 749 CG PRO A 50 13.909 2.338 -6.026 1.00 0.58 C ATOM 750 CD PRO A 50 12.651 2.782 -6.714 1.00 0.54 C ATOM 0 HA PRO A 50 12.610 -0.230 -7.553 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.566 0.354 -5.557 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.723 0.780 -7.250 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.831 2.472 -4.947 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.764 2.927 -6.359 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.164 3.598 -6.181 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.845 3.134 -7.727 1.00 0.54 H new ATOM 758 N PHE A 51 11.689 -0.011 -4.458 1.00 0.49 N ATOM 759 CA PHE A 51 11.206 -0.806 -3.341 1.00 0.51 C ATOM 760 C PHE A 51 9.706 -1.029 -3.468 1.00 0.45 C ATOM 761 O PHE A 51 9.142 -1.917 -2.829 1.00 0.52 O ATOM 762 CB PHE A 51 11.528 -0.123 -2.012 1.00 0.60 C ATOM 763 CG PHE A 51 12.416 -0.945 -1.123 1.00 0.99 C ATOM 764 CD1 PHE A 51 11.943 -2.108 -0.535 1.00 1.29 C ATOM 765 CD2 PHE A 51 13.723 -0.559 -0.879 1.00 1.44 C ATOM 766 CE1 PHE A 51 12.759 -2.869 0.281 1.00 1.88 C ATOM 767 CE2 PHE A 51 14.543 -1.315 -0.063 1.00 2.02 C ATOM 768 CZ PHE A 51 14.060 -2.473 0.517 1.00 2.20 C ATOM 0 H PHE A 51 11.572 0.996 -4.344 1.00 0.49 H new ATOM 0 HA PHE A 51 11.711 -1.772 -3.361 1.00 0.51 H new ATOM 0 HB2 PHE A 51 12.010 0.834 -2.211 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.597 0.091 -1.487 1.00 0.60 H new ATOM 0 HD1 PHE A 51 10.926 -2.423 -0.716 1.00 1.29 H new ATOM 0 HD2 PHE A 51 14.106 0.344 -1.332 1.00 1.44 H new ATOM 0 HE1 PHE A 51 12.379 -3.773 0.734 1.00 1.88 H new ATOM 0 HE2 PHE A 51 15.560 -1.001 0.121 1.00 2.02 H new ATOM 0 HZ PHE A 51 14.699 -3.067 1.154 1.00 2.20 H new ATOM 778 N LEU A 52 9.065 -0.212 -4.302 1.00 0.40 N ATOM 779 CA LEU A 52 7.633 -0.317 -4.523 1.00 0.43 C ATOM 780 C LEU A 52 7.330 -1.272 -5.668 1.00 0.44 C ATOM 781 O LEU A 52 6.180 -1.632 -5.895 1.00 0.50 O ATOM 782 CB LEU A 52 7.038 1.053 -4.828 1.00 0.55 C ATOM 783 CG LEU A 52 5.540 1.175 -4.556 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.267 1.128 -3.061 1.00 1.33 C ATOM 785 CD2 LEU A 52 4.995 2.456 -5.159 1.00 1.15 C ATOM 0 H LEU A 52 9.520 0.530 -4.834 1.00 0.40 H new ATOM 0 HA LEU A 52 7.182 -0.708 -3.611 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.563 1.802 -4.235 1.00 0.55 H new ATOM 0 HB3 LEU A 52 7.223 1.289 -5.876 1.00 0.55 H new ATOM 0 HG LEU A 52 5.032 0.332 -5.025 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.195 1.216 -2.884 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.625 0.182 -2.655 1.00 1.33 H new ATOM 0 HD13 LEU A 52 5.785 1.952 -2.571 1.00 1.33 H new ATOM 0 HD21 LEU A 52 3.926 2.528 -4.956 1.00 1.15 H new ATOM 0 HD22 LEU A 52 5.506 3.312 -4.718 1.00 1.15 H new ATOM 0 HD23 LEU A 52 5.160 2.450 -6.236 1.00 1.15 H new ATOM 797 N ALA A 53 8.367 -1.668 -6.398 1.00 0.48 N ATOM 798 CA ALA A 53 8.202 -2.589 -7.516 1.00 0.59 C ATOM 799 C ALA A 53 7.474 -3.843 -7.056 1.00 0.60 C ATOM 800 O ALA A 53 6.751 -4.480 -7.822 1.00 0.76 O ATOM 801 CB ALA A 53 9.553 -2.944 -8.118 1.00 0.67 C ATOM 0 H ALA A 53 9.328 -1.367 -6.236 1.00 0.48 H new ATOM 0 HA ALA A 53 7.604 -2.102 -8.286 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.411 -3.632 -8.951 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.041 -2.038 -8.476 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.176 -3.417 -7.359 1.00 0.67 H new ATOM 807 N LYS A 54 7.674 -4.183 -5.789 1.00 0.51 N ATOM 808 CA LYS A 54 7.039 -5.345 -5.188 1.00 0.55 C ATOM 809 C LYS A 54 5.890 -4.907 -4.284 1.00 0.48 C ATOM 810 O LYS A 54 5.140 -5.733 -3.764 1.00 0.57 O ATOM 811 CB LYS A 54 8.067 -6.142 -4.387 1.00 0.62 C ATOM 812 CG LYS A 54 9.253 -6.607 -5.219 1.00 0.76 C ATOM 813 CD LYS A 54 10.399 -7.096 -4.345 1.00 0.94 C ATOM 814 CE LYS A 54 10.037 -8.376 -3.609 1.00 1.21 C ATOM 815 NZ LYS A 54 11.159 -8.861 -2.759 1.00 1.84 N ATOM 0 H LYS A 54 8.278 -3.663 -5.153 1.00 0.51 H new ATOM 0 HA LYS A 54 6.638 -5.979 -5.979 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.430 -5.528 -3.563 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.579 -7.011 -3.946 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.937 -7.409 -5.886 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.600 -5.787 -5.848 1.00 0.76 H new ATOM 0 HD2 LYS A 54 11.280 -7.268 -4.963 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.662 -6.323 -3.623 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.159 -8.202 -2.987 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.768 -9.147 -4.331 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 10.906 -9.779 -2.340 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 12.014 -8.970 -3.341 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.343 -8.173 -2.001 1.00 1.84 H new ATOM 829 N MET A 55 5.765 -3.594 -4.106 1.00 0.38 N ATOM 830 CA MET A 55 4.721 -3.015 -3.267 1.00 0.34 C ATOM 831 C MET A 55 3.797 -2.106 -4.076 1.00 0.33 C ATOM 832 O MET A 55 3.116 -1.246 -3.516 1.00 0.35 O ATOM 833 CB MET A 55 5.361 -2.219 -2.128 1.00 0.33 C ATOM 834 CG MET A 55 5.896 -3.082 -0.996 1.00 0.42 C ATOM 835 SD MET A 55 7.190 -2.255 -0.051 1.00 1.95 S ATOM 836 CE MET A 55 7.757 -3.593 0.995 1.00 2.78 C ATOM 0 H MET A 55 6.382 -2.905 -4.537 1.00 0.38 H new ATOM 0 HA MET A 55 4.122 -3.829 -2.859 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.177 -1.619 -2.531 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.624 -1.524 -1.725 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.077 -3.349 -0.328 1.00 0.42 H new ATOM 0 HG3 MET A 55 6.288 -4.012 -1.407 1.00 0.42 H new ATOM 0 HE1 MET A 55 8.139 -3.186 1.931 1.00 2.78 H new ATOM 0 HE2 MET A 55 6.927 -4.268 1.205 1.00 2.78 H new ATOM 0 HE3 MET A 55 8.551 -4.141 0.487 1.00 2.78 H new ATOM 846 N ARG A 56 3.769 -2.302 -5.392 1.00 0.37 N ATOM 847 CA ARG A 56 2.929 -1.487 -6.266 1.00 0.42 C ATOM 848 C ARG A 56 1.791 -2.307 -6.863 1.00 0.41 C ATOM 849 O ARG A 56 0.800 -1.752 -7.340 1.00 0.43 O ATOM 850 CB ARG A 56 3.767 -0.872 -7.390 1.00 0.54 C ATOM 851 CG ARG A 56 4.331 -1.893 -8.362 1.00 1.09 C ATOM 852 CD ARG A 56 5.164 -1.225 -9.444 1.00 1.35 C ATOM 853 NE ARG A 56 5.659 -2.187 -10.425 1.00 1.81 N ATOM 854 CZ ARG A 56 6.377 -1.849 -11.491 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.679 -0.576 -11.716 1.00 2.58 N ATOM 856 NH2 ARG A 56 6.793 -2.782 -12.335 1.00 3.05 N ATOM 0 H ARG A 56 4.316 -3.015 -5.875 1.00 0.37 H new ATOM 0 HA ARG A 56 2.497 -0.690 -5.660 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.152 -0.160 -7.941 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.590 -0.309 -6.950 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.944 -2.613 -7.821 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.515 -2.451 -8.821 1.00 1.09 H new ATOM 0 HD2 ARG A 56 4.563 -0.469 -9.949 1.00 1.35 H new ATOM 0 HD3 ARG A 56 6.007 -0.708 -8.985 1.00 1.35 H new ATOM 0 HE ARG A 56 5.441 -3.174 -10.284 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.360 0.146 -11.070 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.230 -0.320 -12.535 1.00 2.58 H new ATOM 0 HH21 ARG A 56 6.562 -3.761 -12.167 1.00 3.05 H new ATOM 0 HH22 ARG A 56 7.344 -2.521 -13.153 1.00 3.05 H new ATOM 870 N GLY A 57 1.938 -3.627 -6.839 1.00 0.43 N ATOM 871 CA GLY A 57 0.909 -4.496 -7.381 1.00 0.45 C ATOM 872 C GLY A 57 -0.412 -4.342 -6.657 1.00 0.39 C ATOM 873 O GLY A 57 -1.453 -4.781 -7.147 1.00 0.48 O ATOM 0 H GLY A 57 2.750 -4.111 -6.455 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.769 -4.274 -8.439 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.239 -5.533 -7.314 1.00 0.45 H new ATOM 877 N ILE A 58 -0.370 -3.710 -5.490 1.00 0.41 N ATOM 878 CA ILE A 58 -1.567 -3.496 -4.690 1.00 0.39 C ATOM 879 C ILE A 58 -2.118 -2.088 -4.897 1.00 0.40 C ATOM 880 O ILE A 58 -3.321 -1.857 -4.775 1.00 0.47 O ATOM 881 CB ILE A 58 -1.285 -3.720 -3.187 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.804 -5.155 -2.940 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.527 -3.423 -2.358 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.672 -5.361 -3.215 1.00 0.71 C ATOM 0 H ILE A 58 0.484 -3.336 -5.077 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.309 -4.223 -5.021 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.496 -3.033 -2.879 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.012 -5.425 -1.905 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.380 -5.834 -3.569 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.308 -3.587 -1.303 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.826 -2.386 -2.510 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.337 -4.083 -2.667 1.00 0.43 H new ATOM 0 HD11 ILE A 58 0.937 -6.400 -3.018 1.00 0.71 H new ATOM 0 HD12 ILE A 58 0.884 -5.124 -4.257 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.257 -4.708 -2.568 1.00 0.71 H new ATOM 896 N LEU A 59 -1.230 -1.150 -5.213 1.00 0.44 N ATOM 897 CA LEU A 59 -1.627 0.237 -5.438 1.00 0.49 C ATOM 898 C LEU A 59 -2.648 0.333 -6.567 1.00 0.52 C ATOM 899 O LEU A 59 -3.761 0.824 -6.369 1.00 0.56 O ATOM 900 CB LEU A 59 -0.394 1.096 -5.757 1.00 0.58 C ATOM 901 CG LEU A 59 -0.650 2.591 -6.013 1.00 0.88 C ATOM 902 CD1 LEU A 59 -0.978 2.839 -7.477 1.00 1.39 C ATOM 903 CD2 LEU A 59 -1.768 3.119 -5.120 1.00 1.71 C ATOM 0 H LEU A 59 -0.231 -1.325 -5.319 1.00 0.44 H new ATOM 0 HA LEU A 59 -2.092 0.613 -4.527 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.308 1.007 -4.928 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.096 0.678 -6.636 1.00 0.58 H new ATOM 0 HG LEU A 59 0.264 3.131 -5.767 1.00 0.88 H new ATOM 0 HD11 LEU A 59 -1.155 3.903 -7.635 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -0.142 2.514 -8.097 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -1.872 2.278 -7.750 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -1.926 4.178 -5.323 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -2.687 2.569 -5.324 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.491 2.988 -4.074 1.00 1.71 H new ATOM 915 N LYS A 60 -2.266 -0.136 -7.749 1.00 0.59 N ATOM 916 CA LYS A 60 -3.149 -0.101 -8.909 1.00 0.68 C ATOM 917 C LYS A 60 -4.410 -0.924 -8.661 1.00 0.65 C ATOM 918 O LYS A 60 -5.403 -0.783 -9.372 1.00 0.74 O ATOM 919 CB LYS A 60 -2.415 -0.617 -10.150 1.00 0.80 C ATOM 920 CG LYS A 60 -1.874 -2.032 -10.004 1.00 0.92 C ATOM 921 CD LYS A 60 -2.883 -3.067 -10.479 1.00 1.07 C ATOM 922 CE LYS A 60 -2.338 -4.481 -10.348 1.00 1.10 C ATOM 923 NZ LYS A 60 -3.327 -5.499 -10.801 1.00 1.60 N ATOM 0 H LYS A 60 -1.349 -0.546 -7.930 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.446 0.934 -9.079 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -3.095 -0.585 -11.001 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.588 0.056 -10.377 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -0.952 -2.131 -10.577 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.622 -2.220 -8.960 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.801 -2.975 -9.898 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -3.143 -2.872 -11.519 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.425 -4.575 -10.936 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.069 -4.672 -9.309 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.919 -6.450 -10.696 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -4.189 -5.427 -10.224 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -3.564 -5.332 -11.800 1.00 1.60 H new ATOM 937 N SER A 61 -4.360 -1.789 -7.654 1.00 0.55 N ATOM 938 CA SER A 61 -5.494 -2.645 -7.318 1.00 0.55 C ATOM 939 C SER A 61 -6.516 -1.916 -6.448 1.00 0.57 C ATOM 940 O SER A 61 -7.722 -2.062 -6.639 1.00 0.71 O ATOM 941 CB SER A 61 -5.004 -3.900 -6.594 1.00 0.51 C ATOM 942 OG SER A 61 -4.124 -4.651 -7.412 1.00 1.20 O ATOM 0 H SER A 61 -3.545 -1.917 -7.054 1.00 0.55 H new ATOM 0 HA SER A 61 -5.985 -2.924 -8.250 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.496 -3.617 -5.672 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.857 -4.516 -6.311 1.00 0.51 H new ATOM 0 HG SER A 61 -3.233 -4.668 -7.005 1.00 1.20 H new ATOM 948 N ILE A 62 -6.030 -1.141 -5.484 1.00 0.50 N ATOM 949 CA ILE A 62 -6.910 -0.409 -4.578 1.00 0.56 C ATOM 950 C ILE A 62 -7.374 0.922 -5.168 1.00 0.64 C ATOM 951 O ILE A 62 -8.564 1.233 -5.157 1.00 0.70 O ATOM 952 CB ILE A 62 -6.222 -0.143 -3.224 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.777 -1.463 -2.589 1.00 0.54 C ATOM 954 CG2 ILE A 62 -7.159 0.614 -2.290 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.025 -1.287 -1.288 1.00 0.79 C ATOM 0 H ILE A 62 -5.035 -1.003 -5.310 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.783 -1.044 -4.427 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.340 0.474 -3.395 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.655 -2.084 -2.410 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.144 -2.001 -3.295 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.658 0.794 -1.339 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -7.431 1.568 -2.742 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -8.059 0.023 -2.120 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.742 -2.264 -0.897 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.128 -0.692 -1.464 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.662 -0.778 -0.565 1.00 0.79 H new ATOM 967 N ALA A 63 -6.432 1.708 -5.673 1.00 0.68 N ATOM 968 CA ALA A 63 -6.748 3.016 -6.238 1.00 0.79 C ATOM 969 C ALA A 63 -7.205 2.939 -7.696 1.00 0.84 C ATOM 970 O ALA A 63 -8.332 3.312 -8.021 1.00 0.90 O ATOM 971 CB ALA A 63 -5.545 3.939 -6.113 1.00 0.88 C ATOM 0 H ALA A 63 -5.442 1.464 -5.704 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.585 3.418 -5.667 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.788 4.913 -6.537 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -5.284 4.056 -5.061 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.700 3.510 -6.651 1.00 0.88 H new ATOM 977 N SER A 64 -6.324 2.458 -8.567 1.00 0.88 N ATOM 978 CA SER A 64 -6.623 2.371 -9.997 1.00 1.00 C ATOM 979 C SER A 64 -7.706 1.343 -10.320 1.00 0.96 C ATOM 980 O SER A 64 -8.429 1.494 -11.306 1.00 1.11 O ATOM 981 CB SER A 64 -5.350 2.039 -10.778 1.00 1.13 C ATOM 982 OG SER A 64 -5.614 1.948 -12.168 1.00 1.56 O ATOM 0 H SER A 64 -5.396 2.122 -8.310 1.00 0.88 H new ATOM 0 HA SER A 64 -7.007 3.346 -10.297 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.598 2.807 -10.597 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.936 1.096 -10.421 1.00 1.13 H new ATOM 0 HG SER A 64 -4.785 1.737 -12.645 1.00 1.56 H new ATOM 988 N ALA A 65 -7.826 0.302 -9.502 1.00 0.84 N ATOM 989 CA ALA A 65 -8.820 -0.738 -9.754 1.00 0.84 C ATOM 990 C ALA A 65 -9.979 -0.689 -8.761 1.00 0.75 C ATOM 991 O ALA A 65 -11.128 -0.918 -9.137 1.00 0.82 O ATOM 992 CB ALA A 65 -8.163 -2.110 -9.734 1.00 0.83 C ATOM 0 H ALA A 65 -7.256 0.156 -8.669 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.238 -0.551 -10.743 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.915 -2.876 -9.923 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.395 -2.157 -10.506 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.708 -2.281 -8.758 1.00 0.83 H new ATOM 998 N ASP A 66 -9.677 -0.390 -7.500 1.00 0.65 N ATOM 999 CA ASP A 66 -10.706 -0.331 -6.463 1.00 0.65 C ATOM 1000 C ASP A 66 -11.447 -1.662 -6.373 1.00 0.66 C ATOM 1001 O ASP A 66 -12.431 -1.886 -7.077 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.693 0.805 -6.742 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.751 0.929 -5.662 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.506 1.646 -4.669 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.826 0.311 -5.810 1.00 1.53 O ATOM 0 H ASP A 66 -8.733 -0.186 -7.172 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.217 -0.136 -5.509 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.148 1.745 -6.822 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.177 0.634 -7.704 1.00 0.75 H new ATOM 1010 N MET A 67 -10.962 -2.541 -5.503 1.00 0.55 N ATOM 1011 CA MET A 67 -11.563 -3.859 -5.330 1.00 0.55 C ATOM 1012 C MET A 67 -12.584 -3.867 -4.195 1.00 0.65 C ATOM 1013 O MET A 67 -12.975 -2.814 -3.690 1.00 0.81 O ATOM 1014 CB MET A 67 -10.474 -4.895 -5.064 1.00 0.49 C ATOM 1015 CG MET A 67 -9.471 -5.038 -6.200 1.00 0.49 C ATOM 1016 SD MET A 67 -10.165 -5.843 -7.660 1.00 1.00 S ATOM 1017 CE MET A 67 -10.838 -4.441 -8.549 1.00 1.52 C ATOM 0 H MET A 67 -10.154 -2.365 -4.906 1.00 0.55 H new ATOM 0 HA MET A 67 -12.089 -4.112 -6.251 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.941 -4.622 -4.153 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.942 -5.862 -4.882 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.102 -4.051 -6.478 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.613 -5.612 -5.849 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.602 -4.535 -9.609 1.00 1.52 H new ATOM 0 HE2 MET A 67 -11.920 -4.413 -8.419 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.402 -3.521 -8.161 1.00 1.52 H new ATOM 1027 N ASP A 68 -13.011 -5.066 -3.798 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.995 -5.213 -2.731 1.00 0.77 C ATOM 1029 C ASP A 68 -13.423 -5.972 -1.535 1.00 0.67 C ATOM 1030 O ASP A 68 -13.032 -5.364 -0.537 1.00 1.22 O ATOM 1031 CB ASP A 68 -15.241 -5.929 -3.257 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.963 -5.125 -4.321 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.523 -5.155 -5.489 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.971 -4.466 -3.986 1.00 1.91 O ATOM 0 H ASP A 68 -12.690 -5.947 -4.200 1.00 0.64 H new ATOM 0 HA ASP A 68 -14.267 -4.213 -2.393 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.954 -6.897 -3.669 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.922 -6.124 -2.428 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.372 -7.300 -1.635 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.857 -8.123 -0.543 1.00 0.83 C ATOM 1041 C PHE A 69 -12.120 -9.360 -1.059 1.00 0.99 C ATOM 1042 O PHE A 69 -10.890 -9.410 -1.041 1.00 1.85 O ATOM 1043 CB PHE A 69 -14.008 -8.545 0.375 1.00 1.00 C ATOM 1044 CG PHE A 69 -13.563 -9.241 1.630 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -13.411 -10.619 1.660 1.00 1.82 C ATOM 1046 CD2 PHE A 69 -13.303 -8.518 2.782 1.00 2.08 C ATOM 1047 CE1 PHE A 69 -13.006 -11.261 2.816 1.00 2.52 C ATOM 1048 CE2 PHE A 69 -12.898 -9.153 3.940 1.00 2.91 C ATOM 1049 CZ PHE A 69 -12.750 -10.526 3.958 1.00 3.05 C ATOM 0 H PHE A 69 -13.678 -7.825 -2.454 1.00 0.74 H new ATOM 0 HA PHE A 69 -12.140 -7.522 0.016 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -14.585 -7.661 0.647 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -14.677 -9.205 -0.177 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -13.611 -11.198 0.770 1.00 1.82 H new ATOM 0 HD2 PHE A 69 -13.418 -7.444 2.775 1.00 2.08 H new ATOM 0 HE1 PHE A 69 -12.890 -12.335 2.826 1.00 2.52 H new ATOM 0 HE2 PHE A 69 -12.697 -8.576 4.831 1.00 2.91 H new ATOM 0 HZ PHE A 69 -12.435 -11.024 4.863 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.880 -10.353 -1.516 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.304 -11.597 -2.023 1.00 0.89 C ATOM 1061 C ASN A 70 -11.301 -11.332 -3.143 1.00 0.83 C ATOM 1062 O ASN A 70 -10.427 -12.156 -3.414 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.410 -12.525 -2.528 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.199 -11.917 -3.672 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -15.192 -11.222 -3.456 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -13.760 -12.178 -4.898 1.00 2.40 N ATOM 0 H ASN A 70 -13.899 -10.320 -1.546 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.775 -12.077 -1.199 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -12.969 -13.467 -2.855 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.088 -12.758 -1.707 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -14.251 -11.797 -5.707 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -12.932 -12.759 -5.030 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.435 -10.182 -3.788 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.546 -9.806 -4.881 1.00 0.68 C ATOM 1075 C GLN A 71 -9.102 -9.666 -4.406 1.00 0.58 C ATOM 1076 O GLN A 71 -8.243 -10.471 -4.764 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.017 -8.496 -5.508 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.336 -8.613 -6.255 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.246 -9.529 -7.459 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -11.189 -9.663 -8.075 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -13.362 -10.161 -7.806 1.00 1.90 N ATOM 0 H GLN A 71 -12.153 -9.490 -3.573 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.578 -10.600 -5.627 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.119 -7.745 -4.725 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.251 -8.137 -6.196 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.102 -8.987 -5.575 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.654 -7.622 -6.580 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.216 -10.021 -7.267 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -13.364 -10.787 -8.612 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.841 -8.639 -3.598 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.496 -8.393 -3.083 1.00 0.39 C ATOM 1092 C LEU A 72 -6.975 -9.593 -2.297 1.00 0.41 C ATOM 1093 O LEU A 72 -5.777 -9.874 -2.300 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.478 -7.149 -2.189 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.754 -5.821 -2.893 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.696 -4.680 -1.892 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -6.759 -5.591 -4.021 1.00 1.06 C ATOM 0 H LEU A 72 -9.542 -7.966 -3.287 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.844 -8.229 -3.941 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.218 -7.281 -1.400 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.503 -7.086 -1.705 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.753 -5.859 -3.326 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.894 -3.738 -2.403 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.446 -4.837 -1.117 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.706 -4.645 -1.437 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -6.975 -4.640 -4.508 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -5.748 -5.570 -3.615 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -6.841 -6.398 -4.749 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.882 -10.296 -1.626 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.514 -11.462 -0.830 1.00 0.57 C ATOM 1111 C GLU A 73 -6.780 -12.501 -1.674 1.00 0.59 C ATOM 1112 O GLU A 73 -5.904 -13.211 -1.179 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.762 -12.090 -0.206 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.458 -13.242 0.737 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.664 -12.806 1.951 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -6.416 -12.807 1.877 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -8.287 -12.462 2.977 1.00 1.76 O ATOM 0 H GLU A 73 -8.878 -10.078 -1.618 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.842 -11.128 -0.039 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.312 -11.322 0.338 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.416 -12.446 -1.002 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -9.394 -13.696 1.063 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.901 -14.010 0.200 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.143 -12.587 -2.951 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.526 -13.545 -3.862 1.00 0.70 C ATOM 1126 C ALA A 74 -5.215 -13.016 -4.438 1.00 0.57 C ATOM 1127 O ALA A 74 -4.401 -13.784 -4.951 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.491 -13.897 -4.983 1.00 0.89 C ATOM 0 H ALA A 74 -7.862 -12.004 -3.378 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.294 -14.444 -3.291 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.020 -14.613 -5.657 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.395 -14.337 -4.561 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -7.751 -12.994 -5.536 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.013 -11.704 -4.353 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.801 -11.084 -4.882 1.00 0.46 C ATOM 1136 C PHE A 75 -2.668 -11.103 -3.862 1.00 0.38 C ATOM 1137 O PHE A 75 -1.520 -11.390 -4.201 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.083 -9.645 -5.314 1.00 0.55 C ATOM 1139 CG PHE A 75 -2.882 -8.960 -5.900 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -2.589 -9.083 -7.248 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.043 -8.201 -5.100 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -1.481 -8.462 -7.789 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -0.931 -7.578 -5.636 1.00 0.82 C ATOM 1144 CZ PHE A 75 -0.650 -7.709 -6.983 1.00 0.91 C ATOM 0 H PHE A 75 -5.670 -11.052 -3.925 1.00 0.49 H new ATOM 0 HA PHE A 75 -3.487 -11.667 -5.748 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -4.889 -9.644 -6.048 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.435 -9.076 -4.453 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.235 -9.671 -7.883 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.260 -8.095 -4.047 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.264 -8.565 -8.842 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.283 -6.990 -5.003 1.00 0.82 H new ATOM 0 HZ PHE A 75 0.218 -7.223 -7.404 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.997 -10.786 -2.618 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.012 -10.757 -1.543 1.00 0.36 C ATOM 1156 C LEU A 76 -1.360 -12.126 -1.360 1.00 0.40 C ATOM 1157 O LEU A 76 -0.287 -12.244 -0.770 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.677 -10.289 -0.246 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.811 -9.413 0.667 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.739 -10.241 1.355 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.178 -8.275 -0.117 1.00 0.80 C ATOM 0 H LEU A 76 -3.944 -10.544 -2.326 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.224 -10.052 -1.808 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.579 -9.734 -0.502 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.992 -11.168 0.317 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.459 -8.986 1.432 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.138 -9.597 1.997 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.210 -11.017 1.958 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.099 -10.704 0.604 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.568 -7.667 0.552 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.550 -8.684 -0.909 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -1.961 -7.657 -0.557 1.00 0.80 H new ATOM 1173 N THR A 77 -2.017 -13.158 -1.874 1.00 0.41 N ATOM 1174 CA THR A 77 -1.508 -14.519 -1.772 1.00 0.49 C ATOM 1175 C THR A 77 -0.514 -14.788 -2.894 1.00 0.47 C ATOM 1176 O THR A 77 0.342 -15.668 -2.790 1.00 0.53 O ATOM 1177 CB THR A 77 -2.648 -15.553 -1.844 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.667 -15.224 -0.893 1.00 0.73 O ATOM 1179 CG2 THR A 77 -2.128 -16.956 -1.568 1.00 0.71 C ATOM 0 H THR A 77 -2.906 -13.077 -2.367 1.00 0.41 H new ATOM 0 HA THR A 77 -1.014 -14.617 -0.806 1.00 0.49 H new ATOM 0 HB THR A 77 -3.066 -15.529 -2.851 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.243 -14.521 -1.260 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.952 -17.667 -1.625 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.372 -17.216 -2.309 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.686 -16.991 -0.572 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.642 -14.015 -3.965 1.00 0.45 N ATOM 1188 CA ALA A 78 0.236 -14.139 -5.120 1.00 0.52 C ATOM 1189 C ALA A 78 1.555 -13.420 -4.877 1.00 0.53 C ATOM 1190 O ALA A 78 2.613 -13.876 -5.309 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.446 -13.566 -6.349 1.00 0.60 C ATOM 0 H ALA A 78 -1.353 -13.289 -4.057 1.00 0.45 H new ATOM 0 HA ALA A 78 0.446 -15.196 -5.282 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.216 -13.661 -7.210 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.370 -14.111 -6.539 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.674 -12.513 -6.181 1.00 0.60 H new ATOM 1197 N GLN A 79 1.480 -12.290 -4.181 1.00 0.47 N ATOM 1198 CA GLN A 79 2.664 -11.499 -3.881 1.00 0.53 C ATOM 1199 C GLN A 79 3.527 -12.174 -2.818 1.00 0.54 C ATOM 1200 O GLN A 79 4.515 -11.607 -2.352 1.00 1.06 O ATOM 1201 CB GLN A 79 2.261 -10.093 -3.437 1.00 0.56 C ATOM 1202 CG GLN A 79 1.236 -10.074 -2.326 1.00 0.96 C ATOM 1203 CD GLN A 79 1.816 -9.632 -0.998 1.00 1.23 C ATOM 1204 OE1 GLN A 79 2.240 -10.452 -0.189 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.851 -8.323 -0.770 1.00 0.61 N ATOM 0 H GLN A 79 0.610 -11.903 -3.815 1.00 0.47 H new ATOM 0 HA GLN A 79 3.260 -11.422 -4.790 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.151 -9.557 -3.107 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.863 -9.551 -4.295 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.421 -9.405 -2.602 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.808 -11.070 -2.216 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.488 -7.674 -1.468 1.00 0.61 H new ATOM 0 HE22 GLN A 79 2.241 -7.968 0.103 1.00 0.61 H new ATOM 1214 N THR A 80 3.141 -13.391 -2.443 1.00 0.63 N ATOM 1215 CA THR A 80 3.880 -14.162 -1.450 1.00 0.65 C ATOM 1216 C THR A 80 4.361 -15.478 -2.051 1.00 0.64 C ATOM 1217 O THR A 80 5.103 -16.230 -1.419 1.00 0.73 O ATOM 1218 CB THR A 80 3.017 -14.473 -0.210 1.00 0.77 C ATOM 1219 OG1 THR A 80 1.854 -15.214 -0.594 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.594 -13.195 0.498 1.00 0.44 C ATOM 0 H THR A 80 2.317 -13.865 -2.814 1.00 0.63 H new ATOM 0 HA THR A 80 4.731 -13.554 -1.143 1.00 0.65 H new ATOM 0 HB THR A 80 3.619 -15.067 0.478 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.760 -15.193 -1.569 1.00 1.31 H new ATOM 0 HG21 THR A 80 1.987 -13.445 1.368 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.480 -12.647 0.819 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.012 -12.576 -0.185 1.00 0.44 H new ATOM 1228 N LYS A 81 3.929 -15.748 -3.280 1.00 0.68 N ATOM 1229 CA LYS A 81 4.301 -16.974 -3.976 1.00 0.71 C ATOM 1230 C LYS A 81 5.024 -16.673 -5.287 1.00 0.69 C ATOM 1231 O LYS A 81 5.560 -17.576 -5.929 1.00 0.81 O ATOM 1232 CB LYS A 81 3.055 -17.817 -4.250 1.00 0.76 C ATOM 1233 CG LYS A 81 2.445 -18.420 -2.996 1.00 1.54 C ATOM 1234 CD LYS A 81 1.078 -19.023 -3.272 1.00 1.55 C ATOM 1235 CE LYS A 81 0.567 -19.806 -2.074 1.00 2.12 C ATOM 1236 NZ LYS A 81 0.572 -18.982 -0.834 1.00 3.02 N ATOM 0 H LYS A 81 3.318 -15.131 -3.815 1.00 0.68 H new ATOM 0 HA LYS A 81 4.984 -17.531 -3.335 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.308 -17.197 -4.746 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.313 -18.619 -4.941 1.00 0.76 H new ATOM 0 HG2 LYS A 81 3.109 -19.189 -2.601 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.356 -17.651 -2.228 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.372 -18.230 -3.519 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.136 -19.680 -4.140 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -0.446 -20.157 -2.274 1.00 2.12 H new ATOM 0 HE3 LYS A 81 1.187 -20.690 -1.926 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -0.112 -19.373 -0.155 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 1.523 -18.993 -0.414 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 0.308 -18.003 -1.066 1.00 3.02 H new ATOM 1250 N LYS A 82 5.037 -15.402 -5.679 1.00 0.66 N ATOM 1251 CA LYS A 82 5.698 -14.992 -6.915 1.00 0.74 C ATOM 1252 C LYS A 82 7.199 -15.250 -6.839 1.00 0.78 C ATOM 1253 O LYS A 82 7.703 -15.744 -5.831 1.00 0.83 O ATOM 1254 CB LYS A 82 5.447 -13.509 -7.192 1.00 0.72 C ATOM 1255 CG LYS A 82 5.898 -12.595 -6.071 1.00 0.67 C ATOM 1256 CD LYS A 82 6.094 -11.169 -6.559 1.00 0.77 C ATOM 1257 CE LYS A 82 5.227 -10.193 -5.786 1.00 0.76 C ATOM 1258 NZ LYS A 82 5.492 -8.781 -6.178 1.00 1.09 N ATOM 0 H LYS A 82 4.599 -14.640 -5.161 1.00 0.66 H new ATOM 0 HA LYS A 82 5.279 -15.584 -7.729 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.964 -13.227 -8.109 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.382 -13.356 -7.367 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.159 -12.608 -5.270 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.831 -12.968 -5.650 1.00 0.67 H new ATOM 0 HD2 LYS A 82 7.142 -10.888 -6.454 1.00 0.77 H new ATOM 0 HD3 LYS A 82 5.853 -11.110 -7.620 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.176 -10.426 -5.958 1.00 0.76 H new ATOM 0 HE3 LYS A 82 5.409 -10.313 -4.718 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.879 -8.147 -5.627 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 6.488 -8.550 -5.990 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.294 -8.659 -7.192 1.00 1.09 H new ATOM 1272 N GLN A 83 7.909 -14.916 -7.916 1.00 0.87 N ATOM 1273 CA GLN A 83 9.355 -15.101 -7.961 1.00 0.96 C ATOM 1274 C GLN A 83 10.016 -14.315 -6.834 1.00 0.80 C ATOM 1275 O GLN A 83 10.264 -13.116 -6.963 1.00 0.80 O ATOM 1276 CB GLN A 83 9.910 -14.650 -9.315 1.00 1.22 C ATOM 1277 CG GLN A 83 9.200 -15.281 -10.502 1.00 1.37 C ATOM 1278 CD GLN A 83 9.726 -14.779 -11.833 1.00 1.96 C ATOM 1279 OE1 GLN A 83 9.240 -13.782 -12.368 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.723 -15.468 -12.375 1.00 2.57 N ATOM 0 H GLN A 83 7.507 -14.518 -8.765 1.00 0.87 H new ATOM 0 HA GLN A 83 9.576 -16.160 -7.832 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.830 -13.565 -9.388 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.971 -14.895 -9.364 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.315 -16.364 -10.455 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.133 -15.071 -10.435 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.095 -16.288 -11.897 1.00 2.57 H new ATOM 0 HE22 GLN A 83 11.117 -15.177 -13.270 1.00 2.57 H new ATOM 1289 N GLY A 84 10.293 -14.998 -5.728 1.00 0.98 N ATOM 1290 CA GLY A 84 10.899 -14.343 -4.586 1.00 1.14 C ATOM 1291 C GLY A 84 9.850 -13.723 -3.685 1.00 1.22 C ATOM 1292 O GLY A 84 9.732 -14.085 -2.514 1.00 2.05 O ATOM 0 H GLY A 84 10.108 -15.993 -5.603 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.487 -15.065 -4.020 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.588 -13.571 -4.930 1.00 1.14 H new ATOM 1296 N GLY A 85 9.084 -12.787 -4.242 1.00 0.69 N ATOM 1297 CA GLY A 85 8.033 -12.131 -3.488 1.00 0.69 C ATOM 1298 C GLY A 85 8.528 -11.484 -2.214 1.00 0.66 C ATOM 1299 O GLY A 85 9.726 -11.486 -1.926 1.00 0.91 O ATOM 0 H GLY A 85 9.175 -12.471 -5.208 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.565 -11.372 -4.115 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.262 -12.861 -3.241 1.00 0.69 H new ATOM 1303 N ILE A 86 7.599 -10.922 -1.451 1.00 0.49 N ATOM 1304 CA ILE A 86 7.933 -10.270 -0.194 1.00 0.48 C ATOM 1305 C ILE A 86 7.880 -11.261 0.966 1.00 0.50 C ATOM 1306 O ILE A 86 7.493 -12.416 0.788 1.00 0.53 O ATOM 1307 CB ILE A 86 6.977 -9.099 0.086 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.534 -9.604 0.187 1.00 0.43 C ATOM 1309 CG2 ILE A 86 7.106 -8.050 -1.010 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.535 -8.520 0.524 1.00 0.45 C ATOM 0 H ILE A 86 6.606 -10.905 -1.683 1.00 0.49 H new ATOM 0 HA ILE A 86 8.949 -9.885 -0.283 1.00 0.48 H new ATOM 0 HB ILE A 86 7.245 -8.641 1.038 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.252 -10.065 -0.760 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.483 -10.383 0.948 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.426 -7.224 -0.805 1.00 0.50 H new ATOM 0 HG22 ILE A 86 8.130 -7.678 -1.039 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.855 -8.496 -1.972 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.535 -8.951 0.579 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.792 -8.075 1.485 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.557 -7.752 -0.249 1.00 0.45 H new ATOM 1322 N THR A 87 8.270 -10.804 2.151 1.00 0.52 N ATOM 1323 CA THR A 87 8.268 -11.655 3.336 1.00 0.57 C ATOM 1324 C THR A 87 6.865 -11.784 3.918 1.00 0.51 C ATOM 1325 O THR A 87 5.966 -11.020 3.569 1.00 0.48 O ATOM 1326 CB THR A 87 9.215 -11.109 4.420 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.752 -9.833 4.881 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.630 -10.972 3.882 1.00 1.27 C ATOM 0 H THR A 87 8.591 -9.850 2.317 1.00 0.52 H new ATOM 0 HA THR A 87 8.618 -12.638 3.021 1.00 0.57 H new ATOM 0 HB THR A 87 9.223 -11.815 5.251 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.360 -9.494 5.571 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.281 -10.585 4.665 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.992 -11.948 3.559 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.633 -10.285 3.036 1.00 1.27 H new ATOM 1336 N SER A 88 6.686 -12.758 4.807 1.00 0.56 N ATOM 1337 CA SER A 88 5.392 -12.987 5.441 1.00 0.53 C ATOM 1338 C SER A 88 4.986 -11.783 6.284 1.00 0.48 C ATOM 1339 O SER A 88 3.813 -11.409 6.327 1.00 0.48 O ATOM 1340 CB SER A 88 5.439 -14.244 6.310 1.00 0.62 C ATOM 1341 OG SER A 88 5.749 -15.388 5.533 1.00 1.53 O ATOM 0 H SER A 88 7.421 -13.400 5.104 1.00 0.56 H new ATOM 0 HA SER A 88 4.648 -13.129 4.657 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.185 -14.120 7.095 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.478 -14.385 6.804 1.00 0.62 H new ATOM 0 HG SER A 88 5.775 -16.179 6.111 1.00 1.53 H new ATOM 1347 N ASP A 89 5.964 -11.183 6.954 1.00 0.51 N ATOM 1348 CA ASP A 89 5.714 -10.018 7.792 1.00 0.51 C ATOM 1349 C ASP A 89 5.202 -8.854 6.950 1.00 0.44 C ATOM 1350 O ASP A 89 4.411 -8.035 7.419 1.00 0.45 O ATOM 1351 CB ASP A 89 6.991 -9.610 8.528 1.00 0.59 C ATOM 1352 CG ASP A 89 7.552 -10.733 9.377 1.00 1.48 C ATOM 1353 OD1 ASP A 89 7.059 -10.925 10.509 1.00 1.85 O ATOM 1354 OD2 ASP A 89 8.485 -11.421 8.911 1.00 2.34 O ATOM 0 H ASP A 89 6.938 -11.485 6.932 1.00 0.51 H new ATOM 0 HA ASP A 89 4.952 -10.280 8.526 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.741 -9.297 7.802 1.00 0.59 H new ATOM 0 HB3 ASP A 89 6.782 -8.748 9.162 1.00 0.59 H new ATOM 1359 N GLN A 90 5.662 -8.790 5.705 1.00 0.44 N ATOM 1360 CA GLN A 90 5.251 -7.736 4.788 1.00 0.42 C ATOM 1361 C GLN A 90 3.832 -7.978 4.290 1.00 0.39 C ATOM 1362 O GLN A 90 3.066 -7.038 4.088 1.00 0.52 O ATOM 1363 CB GLN A 90 6.217 -7.655 3.603 1.00 0.49 C ATOM 1364 CG GLN A 90 7.552 -7.017 3.959 1.00 0.59 C ATOM 1365 CD GLN A 90 8.464 -6.845 2.760 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.876 -6.580 1.600 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 9.686 -6.940 2.878 1.00 0.91 N flip ATOM 0 H GLN A 90 6.322 -9.459 5.308 1.00 0.44 H new ATOM 0 HA GLN A 90 5.272 -6.788 5.326 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.393 -8.659 3.217 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.751 -7.083 2.801 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.373 -6.043 4.415 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.055 -7.632 4.706 1.00 0.59 H new ATOM 0 HE21 GLN A 90 10.096 -7.145 3.789 1.00 0.91 H new ATOM 0 HE22 GLN A 90 10.288 -6.814 2.065 1.00 0.91 H new ATOM 1376 N ALA A 91 3.488 -9.245 4.102 1.00 0.37 N ATOM 1377 CA ALA A 91 2.162 -9.615 3.629 1.00 0.37 C ATOM 1378 C ALA A 91 1.115 -9.433 4.723 1.00 0.34 C ATOM 1379 O ALA A 91 -0.077 -9.338 4.441 1.00 0.40 O ATOM 1380 CB ALA A 91 2.164 -11.053 3.135 1.00 0.45 C ATOM 0 H ALA A 91 4.111 -10.035 4.270 1.00 0.37 H new ATOM 0 HA ALA A 91 1.902 -8.955 2.802 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.167 -11.318 2.784 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.876 -11.155 2.316 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.450 -11.717 3.950 1.00 0.45 H new ATOM 1386 N ALA A 92 1.569 -9.382 5.971 1.00 0.31 N ATOM 1387 CA ALA A 92 0.670 -9.221 7.110 1.00 0.33 C ATOM 1388 C ALA A 92 0.102 -7.809 7.195 1.00 0.28 C ATOM 1389 O ALA A 92 -1.045 -7.624 7.594 1.00 0.34 O ATOM 1390 CB ALA A 92 1.389 -9.576 8.401 1.00 0.40 C ATOM 0 H ALA A 92 2.556 -9.450 6.220 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.168 -9.902 6.964 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.708 -9.452 9.243 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.726 -10.612 8.357 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.249 -8.920 8.531 1.00 0.40 H new ATOM 1396 N VAL A 93 0.905 -6.815 6.825 1.00 0.26 N ATOM 1397 CA VAL A 93 0.460 -5.427 6.876 1.00 0.30 C ATOM 1398 C VAL A 93 -0.293 -5.036 5.607 1.00 0.28 C ATOM 1399 O VAL A 93 -1.243 -4.254 5.655 1.00 0.35 O ATOM 1400 CB VAL A 93 1.646 -4.459 7.110 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.789 -3.456 5.972 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.483 -3.744 8.442 1.00 0.55 C ATOM 0 H VAL A 93 1.860 -6.944 6.489 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.223 -5.344 7.721 1.00 0.30 H new ATOM 0 HB VAL A 93 2.561 -5.050 7.136 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.632 -2.795 6.174 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.961 -3.989 5.037 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.876 -2.866 5.890 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.322 -3.066 8.596 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.553 -3.175 8.438 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.456 -4.478 9.248 1.00 0.55 H new ATOM 1412 N ILE A 94 0.137 -5.574 4.471 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.511 -5.273 3.203 1.00 0.25 C ATOM 1414 C ILE A 94 -1.853 -5.992 3.101 1.00 0.25 C ATOM 1415 O ILE A 94 -2.787 -5.478 2.497 1.00 0.28 O ATOM 1416 CB ILE A 94 0.381 -5.655 2.004 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.784 -5.068 2.177 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.236 -5.159 0.705 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.769 -5.543 1.130 1.00 0.52 C ATOM 0 H ILE A 94 0.926 -6.216 4.403 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.679 -4.196 3.172 1.00 0.25 H new ATOM 0 HB ILE A 94 0.457 -6.742 1.963 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.722 -3.980 2.139 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.161 -5.332 3.165 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.405 -5.436 -0.132 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.219 -5.610 0.574 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.337 -4.074 0.741 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.742 -5.088 1.313 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.860 -6.628 1.182 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.415 -5.256 0.140 1.00 0.52 H new ATOM 1431 N SER A 95 -1.941 -7.180 3.698 1.00 0.27 N ATOM 1432 CA SER A 95 -3.185 -7.952 3.693 1.00 0.34 C ATOM 1433 C SER A 95 -4.304 -7.176 4.385 1.00 0.39 C ATOM 1434 O SER A 95 -5.481 -7.511 4.262 1.00 0.47 O ATOM 1435 CB SER A 95 -2.981 -9.297 4.393 1.00 0.40 C ATOM 1436 OG SER A 95 -4.192 -10.032 4.451 1.00 0.49 O ATOM 0 H SER A 95 -1.168 -7.629 4.190 1.00 0.27 H new ATOM 0 HA SER A 95 -3.469 -8.129 2.656 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.226 -9.876 3.861 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.604 -9.132 5.402 1.00 0.40 H new ATOM 0 HG SER A 95 -4.951 -9.421 4.343 1.00 0.49 H new ATOM 1442 N LYS A 96 -3.915 -6.149 5.127 1.00 0.38 N ATOM 1443 CA LYS A 96 -4.858 -5.304 5.852 1.00 0.46 C ATOM 1444 C LYS A 96 -5.442 -4.231 4.935 1.00 0.45 C ATOM 1445 O LYS A 96 -6.208 -3.374 5.373 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.160 -4.646 7.047 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.075 -5.507 7.681 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.615 -6.392 8.798 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.500 -7.510 8.266 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.756 -8.423 7.356 1.00 2.12 N ATOM 0 H LYS A 96 -2.939 -5.877 5.244 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.674 -5.931 6.212 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.719 -3.703 6.723 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -4.907 -4.405 7.804 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -2.617 -6.132 6.915 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.290 -4.863 8.078 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.782 -6.823 9.353 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -4.184 -5.782 9.500 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.905 -8.081 9.102 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -5.348 -7.079 7.734 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -4.260 -8.496 6.449 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.801 -8.046 7.191 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.686 -9.365 7.791 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.049 -4.277 3.665 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.492 -3.302 2.666 1.00 0.40 C ATOM 1466 C PHE A 97 -7.007 -3.033 2.672 1.00 0.48 C ATOM 1467 O PHE A 97 -7.442 -2.031 2.105 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.028 -3.706 1.254 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.099 -5.182 0.926 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.899 -6.053 1.650 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.345 -5.695 -0.121 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.941 -7.400 1.339 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.386 -7.041 -0.435 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.185 -7.893 0.298 1.00 0.53 C ATOM 0 H PHE A 97 -4.416 -4.988 3.298 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.018 -2.364 2.953 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.632 -3.164 0.526 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -3.998 -3.375 1.124 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.496 -5.675 2.466 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.717 -5.033 -0.699 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.567 -8.067 1.913 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.794 -7.424 -1.253 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.218 -8.945 0.056 1.00 0.53 H new ATOM 1484 N TRP A 98 -7.816 -3.896 3.293 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.265 -3.653 3.324 1.00 0.63 C ATOM 1486 C TRP A 98 -9.842 -3.695 4.737 1.00 0.69 C ATOM 1487 O TRP A 98 -11.061 -3.687 4.908 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.035 -4.624 2.413 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.650 -6.071 2.539 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.113 -6.850 1.556 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -9.797 -6.925 3.688 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.892 -8.121 2.023 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.306 -8.195 3.325 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.285 -6.743 4.986 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.290 -9.270 4.211 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.269 -7.812 5.863 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -9.774 -9.061 5.473 1.00 1.00 C ATOM 0 H TRP A 98 -7.508 -4.744 3.768 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.397 -2.641 2.941 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.100 -4.529 2.627 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.890 -4.316 1.378 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.893 -6.514 0.553 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.485 -8.887 1.486 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -10.668 -5.783 5.298 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -8.909 -10.235 3.912 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -10.645 -7.680 6.867 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -9.774 -9.876 6.182 1.00 1.00 H new ATOM 1508 N LYS A 99 -8.982 -3.739 5.748 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.449 -3.771 7.133 1.00 0.91 C ATOM 1510 C LYS A 99 -8.995 -2.530 7.896 1.00 1.11 C ATOM 1511 O LYS A 99 -9.644 -2.104 8.850 1.00 1.33 O ATOM 1512 CB LYS A 99 -8.957 -5.031 7.848 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.452 -5.074 8.054 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.094 -5.384 9.500 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.492 -4.249 10.431 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.113 -4.529 11.844 1.00 1.67 N ATOM 0 H LYS A 99 -7.968 -3.753 5.639 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.539 -3.785 7.110 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.449 -5.102 8.818 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.260 -5.905 7.272 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.016 -5.830 7.400 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.017 -4.116 7.768 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -7.593 -6.302 9.810 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.022 -5.562 9.580 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -7.014 -3.326 10.103 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -8.568 -4.089 10.369 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -7.402 -3.731 12.445 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -7.589 -5.396 12.166 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -6.083 -4.656 11.908 1.00 1.67 H new ATOM 1530 N SER A 100 -7.876 -1.955 7.472 1.00 1.14 N ATOM 1531 CA SER A 100 -7.338 -0.763 8.118 1.00 1.47 C ATOM 1532 C SER A 100 -7.995 0.499 7.571 1.00 1.74 C ATOM 1533 O SER A 100 -7.908 1.568 8.174 1.00 2.07 O ATOM 1534 CB SER A 100 -5.822 -0.687 7.920 1.00 1.57 C ATOM 1535 OG SER A 100 -5.488 -0.655 6.543 1.00 2.19 O ATOM 0 H SER A 100 -7.324 -2.294 6.684 1.00 1.14 H new ATOM 0 HA SER A 100 -7.556 -0.832 9.184 1.00 1.47 H new ATOM 0 HB2 SER A 100 -5.432 0.204 8.413 1.00 1.57 H new ATOM 0 HB3 SER A 100 -5.347 -1.547 8.393 1.00 1.57 H new ATOM 0 HG SER A 100 -5.585 -1.553 6.162 1.00 2.19 H new ATOM 1541 N HIS A 101 -8.653 0.368 6.423 1.00 1.68 N ATOM 1542 CA HIS A 101 -9.317 1.502 5.789 1.00 2.03 C ATOM 1543 C HIS A 101 -10.728 1.132 5.335 1.00 2.09 C ATOM 1544 O HIS A 101 -11.152 1.501 4.238 1.00 2.46 O ATOM 1545 CB HIS A 101 -8.488 1.983 4.595 1.00 2.13 C ATOM 1546 CG HIS A 101 -8.844 3.360 4.128 1.00 2.57 C ATOM 1547 ND1 HIS A 101 -9.309 3.627 2.857 1.00 3.26 N ATOM 1548 CD2 HIS A 101 -8.795 4.553 4.767 1.00 3.02 C ATOM 1549 CE1 HIS A 101 -9.529 4.924 2.734 1.00 3.83 C ATOM 1550 NE2 HIS A 101 -9.225 5.507 3.879 1.00 3.65 N ATOM 0 H HIS A 101 -8.741 -0.511 5.913 1.00 1.68 H new ATOM 0 HA HIS A 101 -9.400 2.305 6.521 1.00 2.03 H new ATOM 0 HB2 HIS A 101 -7.432 1.963 4.866 1.00 2.13 H new ATOM 0 HB3 HIS A 101 -8.619 1.284 3.769 1.00 2.13 H new ATOM 0 HD2 HIS A 101 -8.477 4.722 5.785 1.00 3.02 H new ATOM 0 HE1 HIS A 101 -9.895 5.422 1.848 1.00 3.83 H new ATOM 0 HE2 HIS A 101 -9.298 6.506 4.072 1.00 3.65 H new ATOM 1559 N LYS A 102 -11.459 0.407 6.180 1.00 1.89 N ATOM 1560 CA LYS A 102 -12.821 0.001 5.843 1.00 2.04 C ATOM 1561 C LYS A 102 -13.631 -0.364 7.088 1.00 2.27 C ATOM 1562 O LYS A 102 -14.824 -0.072 7.165 1.00 2.71 O ATOM 1563 CB LYS A 102 -12.791 -1.185 4.878 1.00 2.00 C ATOM 1564 CG LYS A 102 -14.121 -1.447 4.193 1.00 2.32 C ATOM 1565 CD LYS A 102 -14.042 -2.650 3.269 1.00 2.80 C ATOM 1566 CE LYS A 102 -15.313 -2.809 2.451 1.00 3.44 C ATOM 1567 NZ LYS A 102 -15.279 -4.030 1.600 1.00 4.27 N ATOM 0 H LYS A 102 -11.135 0.091 7.094 1.00 1.89 H new ATOM 0 HA LYS A 102 -13.309 0.851 5.365 1.00 2.04 H new ATOM 0 HB2 LYS A 102 -12.030 -1.005 4.118 1.00 2.00 H new ATOM 0 HB3 LYS A 102 -12.491 -2.079 5.424 1.00 2.00 H new ATOM 0 HG2 LYS A 102 -14.892 -1.614 4.945 1.00 2.32 H new ATOM 0 HG3 LYS A 102 -14.417 -0.567 3.622 1.00 2.32 H new ATOM 0 HD2 LYS A 102 -13.189 -2.540 2.600 1.00 2.80 H new ATOM 0 HD3 LYS A 102 -13.872 -3.552 3.858 1.00 2.80 H new ATOM 0 HE2 LYS A 102 -16.172 -2.858 3.121 1.00 3.44 H new ATOM 0 HE3 LYS A 102 -15.450 -1.931 1.820 1.00 3.44 H new ATOM 0 HZ1 LYS A 102 -16.164 -4.101 1.059 1.00 4.27 H new ATOM 0 HZ2 LYS A 102 -14.475 -3.973 0.943 1.00 4.27 H new ATOM 0 HZ3 LYS A 102 -15.174 -4.871 2.203 1.00 4.27 H new ATOM 1581 N THR A 103 -12.981 -1.007 8.056 1.00 2.56 N ATOM 1582 CA THR A 103 -13.655 -1.422 9.285 1.00 2.99 C ATOM 1583 C THR A 103 -14.289 -0.239 10.021 1.00 3.33 C ATOM 1584 O THR A 103 -15.466 0.062 9.825 1.00 3.84 O ATOM 1585 CB THR A 103 -12.694 -2.158 10.239 1.00 3.28 C ATOM 1586 OG1 THR A 103 -11.524 -1.364 10.471 1.00 3.44 O ATOM 1587 CG2 THR A 103 -12.292 -3.509 9.668 1.00 3.09 C ATOM 0 H THR A 103 -11.992 -1.251 8.014 1.00 2.56 H new ATOM 0 HA THR A 103 -14.447 -2.106 8.979 1.00 2.99 H new ATOM 0 HB THR A 103 -13.213 -2.321 11.184 1.00 3.28 H new ATOM 0 HG1 THR A 103 -10.812 -1.644 9.859 1.00 3.44 H new ATOM 0 HG21 THR A 103 -11.614 -4.009 10.359 1.00 3.09 H new ATOM 0 HG22 THR A 103 -13.181 -4.123 9.525 1.00 3.09 H new ATOM 0 HG23 THR A 103 -11.792 -3.365 8.710 1.00 3.09 H new ATOM 1595 N LYS A 104 -13.505 0.429 10.867 1.00 3.34 N ATOM 1596 CA LYS A 104 -14.004 1.567 11.634 1.00 3.66 C ATOM 1597 C LYS A 104 -13.979 2.848 10.807 1.00 3.59 C ATOM 1598 O LYS A 104 -14.240 3.935 11.324 1.00 3.95 O ATOM 1599 CB LYS A 104 -13.180 1.759 12.910 1.00 3.99 C ATOM 1600 CG LYS A 104 -13.393 0.671 13.953 1.00 4.36 C ATOM 1601 CD LYS A 104 -12.649 -0.605 13.597 1.00 4.62 C ATOM 1602 CE LYS A 104 -12.798 -1.658 14.684 1.00 5.31 C ATOM 1603 NZ LYS A 104 -12.294 -1.174 15.999 1.00 5.72 N ATOM 0 H LYS A 104 -12.525 0.202 11.037 1.00 3.34 H new ATOM 0 HA LYS A 104 -15.038 1.352 11.904 1.00 3.66 H new ATOM 0 HB2 LYS A 104 -12.123 1.793 12.646 1.00 3.99 H new ATOM 0 HB3 LYS A 104 -13.430 2.724 13.350 1.00 3.99 H new ATOM 0 HG2 LYS A 104 -13.056 1.029 14.926 1.00 4.36 H new ATOM 0 HG3 LYS A 104 -14.458 0.458 14.043 1.00 4.36 H new ATOM 0 HD2 LYS A 104 -13.029 -0.998 12.654 1.00 4.62 H new ATOM 0 HD3 LYS A 104 -11.593 -0.382 13.447 1.00 4.62 H new ATOM 0 HE2 LYS A 104 -13.848 -1.937 14.778 1.00 5.31 H new ATOM 0 HE3 LYS A 104 -12.254 -2.557 14.395 1.00 5.31 H new ATOM 0 HZ1 LYS A 104 -12.158 -1.983 16.638 1.00 5.72 H new ATOM 0 HZ2 LYS A 104 -11.387 -0.684 15.864 1.00 5.72 H new ATOM 0 HZ3 LYS A 104 -12.984 -0.517 16.415 1.00 5.72 H new ATOM 1617 N ILE A 105 -13.662 2.717 9.523 1.00 3.22 N ATOM 1618 CA ILE A 105 -13.607 3.869 8.633 1.00 3.25 C ATOM 1619 C ILE A 105 -14.940 4.065 7.915 1.00 3.33 C ATOM 1620 O ILE A 105 -15.541 5.137 7.989 1.00 3.64 O ATOM 1621 CB ILE A 105 -12.473 3.732 7.593 1.00 3.14 C ATOM 1622 CG1 ILE A 105 -11.107 3.663 8.284 1.00 3.41 C ATOM 1623 CG2 ILE A 105 -12.510 4.902 6.625 1.00 3.22 C ATOM 1624 CD1 ILE A 105 -10.835 2.351 8.987 1.00 3.54 C ATOM 0 H ILE A 105 -13.440 1.827 9.077 1.00 3.22 H new ATOM 0 HA ILE A 105 -13.401 4.742 9.252 1.00 3.25 H new ATOM 0 HB ILE A 105 -12.624 2.806 7.039 1.00 3.14 H new ATOM 0 HG12 ILE A 105 -10.327 3.833 7.541 1.00 3.41 H new ATOM 0 HG13 ILE A 105 -11.038 4.473 9.010 1.00 3.41 H new ATOM 0 HG21 ILE A 105 -11.707 4.796 5.896 1.00 3.22 H new ATOM 0 HG22 ILE A 105 -13.470 4.917 6.108 1.00 3.22 H new ATOM 0 HG23 ILE A 105 -12.380 5.834 7.175 1.00 3.22 H new ATOM 0 HD11 ILE A 105 -9.849 2.384 9.450 1.00 3.54 H new ATOM 0 HD12 ILE A 105 -11.591 2.186 9.755 1.00 3.54 H new ATOM 0 HD13 ILE A 105 -10.869 1.537 8.263 1.00 3.54 H new ATOM 1636 N ARG A 106 -15.398 3.023 7.224 1.00 3.23 N ATOM 1637 CA ARG A 106 -16.665 3.075 6.497 1.00 3.52 C ATOM 1638 C ARG A 106 -16.712 4.270 5.546 1.00 3.99 C ATOM 1639 O ARG A 106 -17.790 4.737 5.180 1.00 4.49 O ATOM 1640 CB ARG A 106 -17.836 3.147 7.479 1.00 3.66 C ATOM 1641 CG ARG A 106 -17.924 1.946 8.407 1.00 4.02 C ATOM 1642 CD ARG A 106 -19.117 2.051 9.342 1.00 4.54 C ATOM 1643 NE ARG A 106 -19.062 3.253 10.170 1.00 4.89 N ATOM 1644 CZ ARG A 106 -19.858 3.466 11.213 1.00 5.64 C ATOM 1645 NH1 ARG A 106 -20.757 2.556 11.561 1.00 6.13 N ATOM 1646 NH2 ARG A 106 -19.752 4.588 11.912 1.00 6.18 N ATOM 0 H ARG A 106 -14.909 2.131 7.152 1.00 3.23 H new ATOM 0 HA ARG A 106 -16.746 2.164 5.904 1.00 3.52 H new ATOM 0 HB2 ARG A 106 -17.742 4.053 8.078 1.00 3.66 H new ATOM 0 HB3 ARG A 106 -18.766 3.231 6.917 1.00 3.66 H new ATOM 0 HG2 ARG A 106 -18.003 1.033 7.816 1.00 4.02 H new ATOM 0 HG3 ARG A 106 -17.008 1.869 8.992 1.00 4.02 H new ATOM 0 HD2 ARG A 106 -20.036 2.056 8.757 1.00 4.54 H new ATOM 0 HD3 ARG A 106 -19.153 1.171 9.984 1.00 4.54 H new ATOM 0 HE ARG A 106 -18.374 3.969 9.935 1.00 4.89 H new ATOM 0 HH11 ARG A 106 -20.839 1.690 11.028 1.00 6.13 H new ATOM 0 HH12 ARG A 106 -21.367 2.722 12.362 1.00 6.13 H new ATOM 0 HH21 ARG A 106 -19.059 5.289 11.649 1.00 6.18 H new ATOM 0 HH22 ARG A 106 -20.364 4.750 12.712 1.00 6.18 H new ATOM 1660 N GLU A 107 -15.537 4.750 5.148 1.00 4.18 N ATOM 1661 CA GLU A 107 -15.432 5.890 4.241 1.00 5.05 C ATOM 1662 C GLU A 107 -16.076 7.136 4.847 1.00 5.51 C ATOM 1663 O GLU A 107 -17.298 7.279 4.843 1.00 5.80 O ATOM 1664 CB GLU A 107 -16.088 5.566 2.897 1.00 5.50 C ATOM 1665 CG GLU A 107 -15.557 4.296 2.254 1.00 6.10 C ATOM 1666 CD GLU A 107 -14.070 4.365 1.970 1.00 6.86 C ATOM 1667 OE1 GLU A 107 -13.696 4.829 0.872 1.00 7.31 O ATOM 1668 OE2 GLU A 107 -13.279 3.956 2.846 1.00 7.22 O ATOM 0 H GLU A 107 -14.639 4.365 5.441 1.00 4.18 H new ATOM 0 HA GLU A 107 -14.373 6.093 4.081 1.00 5.05 H new ATOM 0 HB2 GLU A 107 -17.164 5.468 3.041 1.00 5.50 H new ATOM 0 HB3 GLU A 107 -15.932 6.402 2.215 1.00 5.50 H new ATOM 0 HG2 GLU A 107 -15.759 3.449 2.910 1.00 6.10 H new ATOM 0 HG3 GLU A 107 -16.093 4.113 1.323 1.00 6.10 H new ATOM 1675 N SER A 108 -15.244 8.035 5.363 1.00 5.97 N ATOM 1676 CA SER A 108 -15.731 9.268 5.972 1.00 6.78 C ATOM 1677 C SER A 108 -16.344 10.190 4.923 1.00 7.58 C ATOM 1678 O SER A 108 -15.590 10.986 4.322 1.00 8.07 O ATOM 1679 CB SER A 108 -14.593 9.987 6.698 1.00 7.25 C ATOM 1680 OG SER A 108 -14.049 9.174 7.725 1.00 7.76 O ATOM 0 H SER A 108 -14.229 7.933 5.372 1.00 5.97 H new ATOM 0 HA SER A 108 -16.505 9.005 6.694 1.00 6.78 H new ATOM 0 HB2 SER A 108 -13.811 10.250 5.985 1.00 7.25 H new ATOM 0 HB3 SER A 108 -14.962 10.920 7.125 1.00 7.25 H new ATOM 0 HG SER A 108 -13.322 9.655 8.173 1.00 7.76 H new TER 1686 SER A 108