USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 HIS : no HD1:sc= -6.11! C(o=-11!,f=-14!) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.09! C(o=-11!,f=-17!) USER MOD Single : A 0 GLY N :NH3+ 150:sc= 0.0452 (180deg=0) USER MOD Single : A 1 SER OG : rot 26:sc= 0.275 USER MOD Single : A 2 SER OG : rot 24:sc= 0.827 USER MOD Single : A 4 SER OG : rot 49:sc= 0.362 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -97:sc= -0.0506 USER MOD Single : A 15 HIS : no HD1:sc= -5.14! K(o=-5.1!,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.24) USER MOD Single : A 25 ASN : amide:sc= -0.228 K(o=-0.23,f=-1.4!) USER MOD Single : A 27 SER OG : rot -56:sc= 0.0676 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.0556 (180deg=-0.56) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.133 USER MOD Single : A 39 CYS SG : rot 66:sc= -0.1 USER MOD Single : A 41 SER OG : rot 180:sc= -0.346 USER MOD Single : A 45 THR OG1 : rot -172:sc= -1.26 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0.0677 K(o=0.068,f=-1) USER MOD Single : A 75 SER OG : rot -74:sc= 1.24 USER MOD Single : A 80 GLN : amide:sc= -2.9! C(o=-2.9!,f=-2.2!) USER MOD Single : A 82 TYR OH : rot 96:sc= -0.786 USER MOD Single : A 84 THR OG1 : rot 63:sc= 1.02 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 0:sc= 0.837 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 17:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 -6.467 -18.594 -11.492 1.00 0.00 N ATOM 2 CA GLY A 0 -5.388 -17.650 -11.255 1.00 0.00 C ATOM 3 C GLY A 0 -5.851 -16.214 -11.510 1.00 0.00 C ATOM 4 O GLY A 0 -6.773 -15.985 -12.292 1.00 0.00 O ATOM 0 H1 GLY A 0 -6.071 -19.500 -11.813 1.00 0.00 H new ATOM 0 H2 GLY A 0 -6.999 -18.741 -10.611 1.00 0.00 H new ATOM 0 H3 GLY A 0 -7.104 -18.217 -12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -5.035 -17.745 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -4.545 -17.885 -11.905 1.00 0.00 H new ATOM 8 N SER A 1 -5.191 -15.285 -10.835 1.00 0.00 N ATOM 9 CA SER A 1 -5.523 -13.877 -10.978 1.00 0.00 C ATOM 10 C SER A 1 -5.005 -13.351 -12.319 1.00 0.00 C ATOM 11 O SER A 1 -3.814 -13.447 -12.608 1.00 0.00 O ATOM 12 CB SER A 1 -4.944 -13.055 -9.826 1.00 0.00 C ATOM 13 OG SER A 1 -3.520 -13.083 -9.812 1.00 0.00 O ATOM 0 H SER A 1 -4.428 -15.479 -10.187 1.00 0.00 H new ATOM 0 HA SER A 1 -6.608 -13.777 -10.950 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.285 -12.023 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 1 -5.323 -13.440 -8.880 1.00 0.00 H new ATOM 0 HG SER A 1 -3.187 -13.244 -10.719 1.00 0.00 H new ATOM 19 N SER A 2 -5.927 -12.808 -13.100 1.00 0.00 N ATOM 20 CA SER A 2 -5.578 -12.267 -14.403 1.00 0.00 C ATOM 21 C SER A 2 -6.725 -11.406 -14.936 1.00 0.00 C ATOM 22 O SER A 2 -7.805 -11.916 -15.227 1.00 0.00 O ATOM 23 CB SER A 2 -5.249 -13.385 -15.394 1.00 0.00 C ATOM 24 OG SER A 2 -6.401 -14.151 -15.736 1.00 0.00 O ATOM 0 H SER A 2 -6.914 -12.731 -12.856 1.00 0.00 H new ATOM 0 HA SER A 2 -4.689 -11.647 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.819 -12.953 -16.298 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.492 -14.041 -14.963 1.00 0.00 H new ATOM 0 HG SER A 2 -7.207 -13.612 -15.592 1.00 0.00 H new ATOM 30 N GLY A 3 -6.450 -10.114 -15.047 1.00 0.00 N ATOM 31 CA GLY A 3 -7.446 -9.177 -15.540 1.00 0.00 C ATOM 32 C GLY A 3 -6.818 -7.812 -15.828 1.00 0.00 C ATOM 33 O GLY A 3 -5.729 -7.510 -15.342 1.00 0.00 O ATOM 0 H GLY A 3 -5.553 -9.694 -14.804 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.903 -9.570 -16.448 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.243 -9.067 -14.804 1.00 0.00 H new ATOM 37 N SER A 4 -7.532 -7.024 -16.619 1.00 0.00 N ATOM 38 CA SER A 4 -7.058 -5.698 -16.978 1.00 0.00 C ATOM 39 C SER A 4 -8.156 -4.663 -16.722 1.00 0.00 C ATOM 40 O SER A 4 -8.782 -4.172 -17.659 1.00 0.00 O ATOM 41 CB SER A 4 -6.615 -5.649 -18.441 1.00 0.00 C ATOM 42 OG SER A 4 -7.651 -6.063 -19.328 1.00 0.00 O ATOM 0 H SER A 4 -8.434 -7.278 -17.021 1.00 0.00 H new ATOM 0 HA SER A 4 -6.194 -5.464 -16.356 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.307 -4.634 -18.692 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.744 -6.290 -18.577 1.00 0.00 H new ATOM 0 HG SER A 4 -8.480 -5.591 -19.105 1.00 0.00 H new ATOM 48 N SER A 5 -8.355 -4.362 -15.447 1.00 0.00 N ATOM 49 CA SER A 5 -9.366 -3.395 -15.055 1.00 0.00 C ATOM 50 C SER A 5 -9.235 -3.075 -13.565 1.00 0.00 C ATOM 51 O SER A 5 -8.838 -3.931 -12.775 1.00 0.00 O ATOM 52 CB SER A 5 -10.772 -3.911 -15.366 1.00 0.00 C ATOM 53 OG SER A 5 -11.779 -2.971 -15.000 1.00 0.00 O ATOM 0 H SER A 5 -7.833 -4.771 -14.672 1.00 0.00 H new ATOM 0 HA SER A 5 -9.208 -2.483 -15.631 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.850 -4.130 -16.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.940 -4.848 -14.835 1.00 0.00 H new ATOM 0 HG SER A 5 -12.662 -3.337 -15.216 1.00 0.00 H new ATOM 59 N GLY A 6 -9.576 -1.841 -13.225 1.00 0.00 N ATOM 60 CA GLY A 6 -9.501 -1.397 -11.843 1.00 0.00 C ATOM 61 C GLY A 6 -8.063 -1.461 -11.324 1.00 0.00 C ATOM 62 O GLY A 6 -7.371 -2.458 -11.521 1.00 0.00 O ATOM 0 H GLY A 6 -9.905 -1.134 -13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.875 -0.376 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.144 -2.020 -11.222 1.00 0.00 H new ATOM 66 N THR A 7 -7.656 -0.382 -10.670 1.00 0.00 N ATOM 67 CA THR A 7 -6.313 -0.303 -10.121 1.00 0.00 C ATOM 68 C THR A 7 -6.358 -0.362 -8.593 1.00 0.00 C ATOM 69 O THR A 7 -7.401 -0.120 -7.988 1.00 0.00 O ATOM 70 CB THR A 7 -5.657 0.969 -10.660 1.00 0.00 C ATOM 71 OG1 THR A 7 -6.653 1.973 -10.491 1.00 0.00 O ATOM 72 CG2 THR A 7 -5.434 0.917 -12.173 1.00 0.00 C ATOM 0 H THR A 7 -8.232 0.444 -10.508 1.00 0.00 H new ATOM 0 HA THR A 7 -5.708 -1.155 -10.431 1.00 0.00 H new ATOM 0 HB THR A 7 -4.703 1.125 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.310 2.832 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.966 1.844 -12.504 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.785 0.076 -12.416 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.392 0.794 -12.678 1.00 0.00 H new ATOM 80 N PRO A 8 -5.182 -0.695 -7.996 1.00 0.00 N ATOM 81 CA PRO A 8 -5.076 -0.790 -6.550 1.00 0.00 C ATOM 82 C PRO A 8 -5.048 0.600 -5.910 1.00 0.00 C ATOM 83 O PRO A 8 -5.747 0.850 -4.930 1.00 0.00 O ATOM 84 CB PRO A 8 -3.806 -1.586 -6.299 1.00 0.00 C ATOM 85 CG PRO A 8 -3.004 -1.508 -7.588 1.00 0.00 C ATOM 86 CD PRO A 8 -3.926 -0.989 -8.680 1.00 0.00 C ATOM 0 HA PRO A 8 -5.935 -1.285 -6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.243 -1.170 -5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.037 -2.620 -6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.147 -0.846 -7.465 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.612 -2.490 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.515 -0.098 -9.154 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.067 -1.732 -9.465 1.00 0.00 H new ATOM 94 N LEU A 9 -4.231 1.467 -6.491 1.00 0.00 N ATOM 95 CA LEU A 9 -4.102 2.825 -5.990 1.00 0.00 C ATOM 96 C LEU A 9 -5.486 3.475 -5.930 1.00 0.00 C ATOM 97 O LEU A 9 -5.806 4.174 -4.970 1.00 0.00 O ATOM 98 CB LEU A 9 -3.089 3.610 -6.825 1.00 0.00 C ATOM 99 CG LEU A 9 -2.895 5.077 -6.439 1.00 0.00 C ATOM 100 CD1 LEU A 9 -2.813 5.238 -4.919 1.00 0.00 C ATOM 101 CD2 LEU A 9 -1.675 5.674 -7.144 1.00 0.00 C ATOM 0 H LEU A 9 -3.652 1.255 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.707 2.821 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.125 3.107 -6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.398 3.568 -7.869 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.768 5.636 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.675 6.291 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.735 4.876 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.970 4.662 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.560 6.718 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.782 5.117 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.812 5.613 -8.224 1.00 0.00 H new ATOM 113 N SER A 10 -6.269 3.223 -6.969 1.00 0.00 N ATOM 114 CA SER A 10 -7.610 3.775 -7.046 1.00 0.00 C ATOM 115 C SER A 10 -8.533 3.049 -6.065 1.00 0.00 C ATOM 116 O SER A 10 -9.352 3.678 -5.397 1.00 0.00 O ATOM 117 CB SER A 10 -8.165 3.676 -8.469 1.00 0.00 C ATOM 118 OG SER A 10 -9.490 4.194 -8.562 1.00 0.00 O ATOM 0 H SER A 10 -6.000 2.644 -7.764 1.00 0.00 H new ATOM 0 HA SER A 10 -7.561 4.830 -6.776 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.513 4.222 -9.151 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.160 2.634 -8.789 1.00 0.00 H new ATOM 0 HG SER A 10 -9.808 4.114 -9.485 1.00 0.00 H new ATOM 124 N LEU A 11 -8.368 1.736 -6.009 1.00 0.00 N ATOM 125 CA LEU A 11 -9.176 0.918 -5.120 1.00 0.00 C ATOM 126 C LEU A 11 -8.901 1.322 -3.671 1.00 0.00 C ATOM 127 O LEU A 11 -9.816 1.363 -2.850 1.00 0.00 O ATOM 128 CB LEU A 11 -8.941 -0.568 -5.399 1.00 0.00 C ATOM 129 CG LEU A 11 -9.543 -1.111 -6.697 1.00 0.00 C ATOM 130 CD1 LEU A 11 -8.709 -2.270 -7.245 1.00 0.00 C ATOM 131 CD2 LEU A 11 -11.009 -1.502 -6.501 1.00 0.00 C ATOM 0 H LEU A 11 -7.687 1.218 -6.564 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.237 1.090 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.866 -0.748 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.346 -1.142 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.519 -0.316 -7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.159 -2.637 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.695 -1.925 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.678 -3.075 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.412 -1.885 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.080 -2.273 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.580 -0.627 -6.191 1.00 0.00 H new ATOM 143 N THR A 12 -7.637 1.612 -3.401 1.00 0.00 N ATOM 144 CA THR A 12 -7.230 2.013 -2.064 1.00 0.00 C ATOM 145 C THR A 12 -7.719 3.430 -1.760 1.00 0.00 C ATOM 146 O THR A 12 -8.391 3.657 -0.755 1.00 0.00 O ATOM 147 CB THR A 12 -5.711 1.860 -1.967 1.00 0.00 C ATOM 148 OG1 THR A 12 -5.227 2.408 -3.190 1.00 0.00 O ATOM 149 CG2 THR A 12 -5.265 0.397 -2.013 1.00 0.00 C ATOM 0 H THR A 12 -6.881 1.577 -4.085 1.00 0.00 H new ATOM 0 HA THR A 12 -7.684 1.377 -1.304 1.00 0.00 H new ATOM 0 HB THR A 12 -5.360 2.318 -1.042 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.067 1.685 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.179 0.345 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.710 -0.146 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.588 -0.052 -2.952 1.00 0.00 H new ATOM 157 N LEU A 13 -7.362 4.348 -2.647 1.00 0.00 N ATOM 158 CA LEU A 13 -7.756 5.737 -2.486 1.00 0.00 C ATOM 159 C LEU A 13 -9.279 5.820 -2.366 1.00 0.00 C ATOM 160 O LEU A 13 -9.801 6.643 -1.615 1.00 0.00 O ATOM 161 CB LEU A 13 -7.181 6.591 -3.618 1.00 0.00 C ATOM 162 CG LEU A 13 -5.680 6.880 -3.545 1.00 0.00 C ATOM 163 CD1 LEU A 13 -5.217 7.686 -4.761 1.00 0.00 C ATOM 164 CD2 LEU A 13 -5.318 7.570 -2.228 1.00 0.00 C ATOM 0 H LEU A 13 -6.804 4.157 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.341 6.147 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.389 6.092 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.713 7.542 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.147 5.929 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.147 7.878 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.420 7.121 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.754 8.634 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.246 7.764 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.859 8.513 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.591 6.925 -1.393 1.00 0.00 H new ATOM 176 N ASP A 14 -9.948 4.957 -3.115 1.00 0.00 N ATOM 177 CA ASP A 14 -11.400 4.923 -3.102 1.00 0.00 C ATOM 178 C ASP A 14 -11.884 4.545 -1.700 1.00 0.00 C ATOM 179 O ASP A 14 -12.881 5.081 -1.218 1.00 0.00 O ATOM 180 CB ASP A 14 -11.936 3.879 -4.083 1.00 0.00 C ATOM 181 CG ASP A 14 -12.079 4.363 -5.528 1.00 0.00 C ATOM 182 OD1 ASP A 14 -11.330 5.295 -5.891 1.00 0.00 O ATOM 183 OD2 ASP A 14 -12.935 3.790 -6.236 1.00 0.00 O ATOM 0 H ASP A 14 -9.511 4.275 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 14 -11.763 5.909 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.272 3.015 -4.069 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.910 3.538 -3.732 1.00 0.00 H new ATOM 188 N HIS A 15 -11.155 3.626 -1.085 1.00 0.00 N ATOM 189 CA HIS A 15 -11.497 3.171 0.252 1.00 0.00 C ATOM 190 C HIS A 15 -10.494 3.736 1.259 1.00 0.00 C ATOM 191 O HIS A 15 -10.095 3.047 2.197 1.00 0.00 O ATOM 192 CB HIS A 15 -11.589 1.644 0.299 1.00 0.00 C ATOM 193 CG HIS A 15 -12.902 1.092 -0.202 1.00 0.00 C ATOM 194 ND1 HIS A 15 -14.126 1.481 0.315 1.00 0.00 N ATOM 195 CD2 HIS A 15 -13.170 0.179 -1.179 1.00 0.00 C ATOM 196 CE1 HIS A 15 -15.079 0.824 -0.329 1.00 0.00 C ATOM 197 NE2 HIS A 15 -14.485 0.017 -1.254 1.00 0.00 N ATOM 0 H HIS A 15 -10.329 3.184 -1.488 1.00 0.00 H new ATOM 0 HA HIS A 15 -12.483 3.545 0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -10.779 1.223 -0.296 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -11.435 1.312 1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.436 -0.327 -1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -16.141 0.912 -0.152 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -14.971 -0.608 -1.897 1.00 0.00 H new ATOM 205 N TRP A 16 -10.114 4.984 1.031 1.00 0.00 N ATOM 206 CA TRP A 16 -9.164 5.650 1.906 1.00 0.00 C ATOM 207 C TRP A 16 -9.610 5.417 3.351 1.00 0.00 C ATOM 208 O TRP A 16 -8.779 5.233 4.239 1.00 0.00 O ATOM 209 CB TRP A 16 -9.037 7.132 1.552 1.00 0.00 C ATOM 210 CG TRP A 16 -8.022 7.893 2.408 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.219 9.006 3.128 1.00 0.00 C ATOM 212 CD2 TRP A 16 -6.635 7.548 2.606 1.00 0.00 C ATOM 213 NE1 TRP A 16 -7.065 9.402 3.772 1.00 0.00 N ATOM 214 CE2 TRP A 16 -6.071 8.487 3.445 1.00 0.00 C ATOM 215 CE3 TRP A 16 -5.881 6.478 2.093 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -4.730 8.451 3.845 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -4.543 6.456 2.502 1.00 0.00 C ATOM 218 CH2 TRP A 16 -3.960 7.394 3.346 1.00 0.00 C ATOM 0 H TRP A 16 -10.447 5.552 0.252 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.165 5.234 1.778 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.752 7.221 0.504 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.013 7.605 1.658 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.162 9.527 3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -6.960 10.217 4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.301 5.732 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.312 9.198 4.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.919 5.654 2.136 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.918 7.308 3.615 1.00 0.00 H new ATOM 229 N SER A 17 -10.921 5.432 3.542 1.00 0.00 N ATOM 230 CA SER A 17 -11.488 5.225 4.864 1.00 0.00 C ATOM 231 C SER A 17 -10.958 3.920 5.462 1.00 0.00 C ATOM 232 O SER A 17 -10.625 3.865 6.645 1.00 0.00 O ATOM 233 CB SER A 17 -13.017 5.202 4.811 1.00 0.00 C ATOM 234 OG SER A 17 -13.597 5.287 6.110 1.00 0.00 O ATOM 0 H SER A 17 -11.607 5.584 2.803 1.00 0.00 H new ATOM 0 HA SER A 17 -11.186 6.058 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.371 6.033 4.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.349 4.285 4.325 1.00 0.00 H new ATOM 0 HG SER A 17 -14.574 5.271 6.034 1.00 0.00 H new ATOM 240 N GLU A 18 -10.897 2.902 4.617 1.00 0.00 N ATOM 241 CA GLU A 18 -10.413 1.601 5.047 1.00 0.00 C ATOM 242 C GLU A 18 -8.914 1.664 5.346 1.00 0.00 C ATOM 243 O GLU A 18 -8.451 1.102 6.337 1.00 0.00 O ATOM 244 CB GLU A 18 -10.718 0.528 3.999 1.00 0.00 C ATOM 245 CG GLU A 18 -9.955 -0.764 4.298 1.00 0.00 C ATOM 246 CD GLU A 18 -10.413 -1.376 5.624 1.00 0.00 C ATOM 247 OE1 GLU A 18 -11.612 -1.720 5.706 1.00 0.00 O ATOM 248 OE2 GLU A 18 -9.554 -1.485 6.525 1.00 0.00 O ATOM 0 H GLU A 18 -11.175 2.951 3.637 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.935 1.326 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.789 0.326 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.446 0.894 3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.112 -1.479 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.885 -0.558 4.338 1.00 0.00 H new ATOM 255 N ILE A 19 -8.197 2.353 4.471 1.00 0.00 N ATOM 256 CA ILE A 19 -6.760 2.497 4.629 1.00 0.00 C ATOM 257 C ILE A 19 -6.466 3.236 5.936 1.00 0.00 C ATOM 258 O ILE A 19 -5.495 2.926 6.624 1.00 0.00 O ATOM 259 CB ILE A 19 -6.149 3.165 3.395 1.00 0.00 C ATOM 260 CG1 ILE A 19 -6.846 2.695 2.116 1.00 0.00 C ATOM 261 CG2 ILE A 19 -4.637 2.937 3.340 1.00 0.00 C ATOM 262 CD1 ILE A 19 -7.102 1.187 2.154 1.00 0.00 C ATOM 0 H ILE A 19 -8.584 2.818 3.650 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.286 1.518 4.702 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.310 4.240 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.791 3.225 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.231 2.941 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.228 3.422 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.173 3.359 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.432 1.867 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.598 0.879 1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.153 0.659 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.737 0.947 3.007 1.00 0.00 H new ATOM 274 N ARG A 20 -7.323 4.200 6.239 1.00 0.00 N ATOM 275 CA ARG A 20 -7.168 4.986 7.451 1.00 0.00 C ATOM 276 C ARG A 20 -7.500 4.137 8.680 1.00 0.00 C ATOM 277 O ARG A 20 -6.927 4.336 9.750 1.00 0.00 O ATOM 278 CB ARG A 20 -8.076 6.217 7.430 1.00 0.00 C ATOM 279 CG ARG A 20 -7.598 7.233 6.391 1.00 0.00 C ATOM 280 CD ARG A 20 -8.165 8.624 6.682 1.00 0.00 C ATOM 281 NE ARG A 20 -9.644 8.574 6.700 1.00 0.00 N ATOM 282 CZ ARG A 20 -10.378 8.434 7.812 1.00 0.00 C ATOM 283 NH1 ARG A 20 -9.775 8.328 9.004 1.00 0.00 N ATOM 284 NH2 ARG A 20 -11.715 8.399 7.732 1.00 0.00 N ATOM 0 H ARG A 20 -8.127 4.455 5.666 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.130 5.315 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.099 5.915 7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.090 6.680 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.509 7.273 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.905 6.912 5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.793 8.984 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.826 9.330 5.924 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.136 8.651 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.757 8.354 9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.334 8.221 9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.174 8.479 6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.274 8.292 8.579 1.00 0.00 H new ATOM 298 N SER A 21 -8.425 3.208 8.486 1.00 0.00 N ATOM 299 CA SER A 21 -8.841 2.328 9.565 1.00 0.00 C ATOM 300 C SER A 21 -7.692 1.394 9.950 1.00 0.00 C ATOM 301 O SER A 21 -7.406 1.210 11.132 1.00 0.00 O ATOM 302 CB SER A 21 -10.075 1.516 9.169 1.00 0.00 C ATOM 303 OG SER A 21 -11.159 1.718 10.073 1.00 0.00 O ATOM 0 H SER A 21 -8.898 3.046 7.597 1.00 0.00 H new ATOM 0 HA SER A 21 -9.105 2.943 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.385 1.796 8.162 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.819 0.457 9.141 1.00 0.00 H new ATOM 0 HG SER A 21 -11.929 1.184 9.785 1.00 0.00 H new ATOM 309 N ARG A 22 -7.064 0.828 8.929 1.00 0.00 N ATOM 310 CA ARG A 22 -5.953 -0.082 9.145 1.00 0.00 C ATOM 311 C ARG A 22 -4.816 0.632 9.879 1.00 0.00 C ATOM 312 O ARG A 22 -4.065 0.007 10.626 1.00 0.00 O ATOM 313 CB ARG A 22 -5.427 -0.635 7.819 1.00 0.00 C ATOM 314 CG ARG A 22 -6.574 -1.138 6.941 1.00 0.00 C ATOM 315 CD ARG A 22 -6.423 -2.631 6.644 1.00 0.00 C ATOM 316 NE ARG A 22 -7.187 -2.985 5.427 1.00 0.00 N ATOM 317 CZ ARG A 22 -7.572 -4.231 5.118 1.00 0.00 C ATOM 318 NH1 ARG A 22 -7.266 -5.249 5.934 1.00 0.00 N ATOM 319 NH2 ARG A 22 -8.262 -4.459 3.992 1.00 0.00 N ATOM 0 H ARG A 22 -7.304 0.983 7.950 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.318 -0.911 9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.874 0.142 7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.728 -1.449 8.012 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.526 -0.957 7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.594 -0.578 6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.370 -2.878 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.781 -3.217 7.491 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.436 -2.234 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.740 -5.076 6.791 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.559 -6.197 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.494 -3.684 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.555 -5.407 3.757 1.00 0.00 H new ATOM 333 N ALA A 23 -4.726 1.932 9.641 1.00 0.00 N ATOM 334 CA ALA A 23 -3.694 2.738 10.270 1.00 0.00 C ATOM 335 C ALA A 23 -4.024 2.915 11.754 1.00 0.00 C ATOM 336 O ALA A 23 -3.135 2.857 12.602 1.00 0.00 O ATOM 337 CB ALA A 23 -3.572 4.076 9.537 1.00 0.00 C ATOM 0 H ALA A 23 -5.351 2.447 9.021 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.726 2.241 10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.798 4.680 10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.307 3.897 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.524 4.605 9.584 1.00 0.00 H new ATOM 343 N HIS A 24 -5.304 3.128 12.021 1.00 0.00 N ATOM 344 CA HIS A 24 -5.762 3.313 13.387 1.00 0.00 C ATOM 345 C HIS A 24 -5.523 2.031 14.187 1.00 0.00 C ATOM 346 O HIS A 24 -5.019 2.080 15.308 1.00 0.00 O ATOM 347 CB HIS A 24 -7.224 3.764 13.413 1.00 0.00 C ATOM 348 CG HIS A 24 -7.501 4.894 14.376 1.00 0.00 C ATOM 349 ND1 HIS A 24 -8.764 5.159 14.877 1.00 0.00 N ATOM 350 CD2 HIS A 24 -6.666 5.823 14.925 1.00 0.00 C ATOM 351 CE1 HIS A 24 -8.681 6.203 15.689 1.00 0.00 C ATOM 352 NE2 HIS A 24 -7.380 6.613 15.717 1.00 0.00 N ATOM 0 H HIS A 24 -6.038 3.177 11.315 1.00 0.00 H new ATOM 0 HA HIS A 24 -5.188 4.109 13.862 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.515 4.075 12.410 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.851 2.913 13.677 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.604 5.902 14.745 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.500 6.651 16.233 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.016 7.398 16.258 1.00 0.00 H new ATOM 360 N ASN A 25 -5.897 0.915 13.580 1.00 0.00 N ATOM 361 CA ASN A 25 -5.729 -0.378 14.222 1.00 0.00 C ATOM 362 C ASN A 25 -4.237 -0.667 14.395 1.00 0.00 C ATOM 363 O ASN A 25 -3.842 -1.386 15.312 1.00 0.00 O ATOM 364 CB ASN A 25 -6.333 -1.498 13.372 1.00 0.00 C ATOM 365 CG ASN A 25 -7.252 -2.388 14.211 1.00 0.00 C ATOM 366 OD1 ASN A 25 -7.178 -2.430 15.428 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.119 -3.097 13.494 1.00 0.00 N ATOM 0 H ASN A 25 -6.316 0.879 12.651 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.236 -0.344 15.186 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.895 -1.068 12.543 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.535 -2.100 12.937 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.775 -3.723 13.961 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.128 -3.015 12.477 1.00 0.00 H new ATOM 374 N LEU A 26 -3.448 -0.093 13.498 1.00 0.00 N ATOM 375 CA LEU A 26 -2.008 -0.280 13.540 1.00 0.00 C ATOM 376 C LEU A 26 -1.383 0.797 14.429 1.00 0.00 C ATOM 377 O LEU A 26 -0.213 0.702 14.796 1.00 0.00 O ATOM 378 CB LEU A 26 -1.431 -0.319 12.123 1.00 0.00 C ATOM 379 CG LEU A 26 -1.763 -1.564 11.298 1.00 0.00 C ATOM 380 CD1 LEU A 26 -1.326 -1.390 9.842 1.00 0.00 C ATOM 381 CD2 LEU A 26 -1.158 -2.819 11.931 1.00 0.00 C ATOM 0 H LEU A 26 -3.779 0.502 12.738 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.762 -1.244 13.986 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.789 0.557 11.582 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.347 -0.231 12.191 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.845 -1.693 11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.574 -2.289 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.843 -0.535 9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.250 -1.222 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.409 -3.689 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.074 -2.714 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.559 -2.949 12.936 1.00 0.00 H new ATOM 393 N SER A 27 -2.191 1.797 14.749 1.00 0.00 N ATOM 394 CA SER A 27 -1.732 2.891 15.587 1.00 0.00 C ATOM 395 C SER A 27 -0.779 3.791 14.798 1.00 0.00 C ATOM 396 O SER A 27 0.264 4.195 15.309 1.00 0.00 O ATOM 397 CB SER A 27 -1.044 2.367 16.849 1.00 0.00 C ATOM 398 OG SER A 27 -0.906 3.380 17.842 1.00 0.00 O ATOM 0 H SER A 27 -3.161 1.872 14.443 1.00 0.00 H new ATOM 0 HA SER A 27 -2.601 3.473 15.894 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.619 1.536 17.257 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.060 1.977 16.590 1.00 0.00 H new ATOM 0 HG SER A 27 -0.423 4.145 17.464 1.00 0.00 H new ATOM 404 N VAL A 28 -1.173 4.079 13.566 1.00 0.00 N ATOM 405 CA VAL A 28 -0.367 4.924 12.702 1.00 0.00 C ATOM 406 C VAL A 28 -1.278 5.903 11.959 1.00 0.00 C ATOM 407 O VAL A 28 -2.481 5.674 11.848 1.00 0.00 O ATOM 408 CB VAL A 28 0.475 4.059 11.761 1.00 0.00 C ATOM 409 CG1 VAL A 28 1.586 3.338 12.526 1.00 0.00 C ATOM 410 CG2 VAL A 28 -0.403 3.063 11.001 1.00 0.00 C ATOM 0 H VAL A 28 -2.039 3.742 13.146 1.00 0.00 H new ATOM 0 HA VAL A 28 0.333 5.515 13.292 1.00 0.00 H new ATOM 0 HB VAL A 28 0.945 4.718 11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.169 2.730 11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.237 4.072 13.001 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.145 2.697 13.289 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.219 2.461 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.914 2.412 11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.141 3.606 10.410 1.00 0.00 H new ATOM 420 N GLU A 29 -0.669 6.974 11.470 1.00 0.00 N ATOM 421 CA GLU A 29 -1.411 7.988 10.740 1.00 0.00 C ATOM 422 C GLU A 29 -0.803 8.194 9.351 1.00 0.00 C ATOM 423 O GLU A 29 0.417 8.176 9.195 1.00 0.00 O ATOM 424 CB GLU A 29 -1.453 9.304 11.521 1.00 0.00 C ATOM 425 CG GLU A 29 -2.387 10.311 10.847 1.00 0.00 C ATOM 426 CD GLU A 29 -3.482 10.773 11.810 1.00 0.00 C ATOM 427 OE1 GLU A 29 -4.155 9.882 12.373 1.00 0.00 O ATOM 428 OE2 GLU A 29 -3.622 12.005 11.962 1.00 0.00 O ATOM 0 H GLU A 29 0.329 7.161 11.565 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.438 7.642 10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.790 9.116 12.540 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.449 9.723 11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.813 11.172 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.841 9.858 9.965 1.00 0.00 H new ATOM 435 N ILE A 30 -1.682 8.386 8.379 1.00 0.00 N ATOM 436 CA ILE A 30 -1.247 8.595 7.008 1.00 0.00 C ATOM 437 C ILE A 30 -2.184 9.596 6.328 1.00 0.00 C ATOM 438 O ILE A 30 -3.288 9.844 6.809 1.00 0.00 O ATOM 439 CB ILE A 30 -1.136 7.259 6.271 1.00 0.00 C ATOM 440 CG1 ILE A 30 -2.480 6.529 6.253 1.00 0.00 C ATOM 441 CG2 ILE A 30 -0.023 6.395 6.868 1.00 0.00 C ATOM 442 CD1 ILE A 30 -2.310 5.077 5.801 1.00 0.00 C ATOM 0 H ILE A 30 -2.693 8.401 8.513 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.247 9.028 6.987 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.866 7.462 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.925 6.554 7.248 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.168 7.044 5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.035 5.451 6.326 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.929 6.920 6.786 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.239 6.198 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.281 4.581 5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.888 5.056 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.640 4.558 6.487 1.00 0.00 H new ATOM 454 N LYS A 31 -1.708 10.144 5.219 1.00 0.00 N ATOM 455 CA LYS A 31 -2.489 11.112 4.468 1.00 0.00 C ATOM 456 C LYS A 31 -2.874 10.511 3.115 1.00 0.00 C ATOM 457 O LYS A 31 -2.321 9.491 2.705 1.00 0.00 O ATOM 458 CB LYS A 31 -1.735 12.439 4.359 1.00 0.00 C ATOM 459 CG LYS A 31 -2.124 13.386 5.497 1.00 0.00 C ATOM 460 CD LYS A 31 -2.585 14.739 4.952 1.00 0.00 C ATOM 461 CE LYS A 31 -1.580 15.840 5.298 1.00 0.00 C ATOM 462 NZ LYS A 31 -2.267 17.144 5.432 1.00 0.00 N ATOM 0 H LYS A 31 -0.791 9.936 4.823 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.417 11.341 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.661 12.254 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.954 12.908 3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.921 12.939 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.273 13.529 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.705 14.678 3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.561 14.989 5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.068 15.594 6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.817 15.902 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.571 17.880 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.735 17.384 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.978 17.086 6.189 1.00 0.00 H new ATOM 476 N LYS A 32 -3.818 11.168 2.458 1.00 0.00 N ATOM 477 CA LYS A 32 -4.283 10.711 1.160 1.00 0.00 C ATOM 478 C LYS A 32 -3.480 11.408 0.061 1.00 0.00 C ATOM 479 O LYS A 32 -3.530 11.006 -1.101 1.00 0.00 O ATOM 480 CB LYS A 32 -5.796 10.906 1.034 1.00 0.00 C ATOM 481 CG LYS A 32 -6.296 10.439 -0.335 1.00 0.00 C ATOM 482 CD LYS A 32 -7.718 9.881 -0.237 1.00 0.00 C ATOM 483 CE LYS A 32 -8.729 10.846 -0.859 1.00 0.00 C ATOM 484 NZ LYS A 32 -8.565 12.204 -0.293 1.00 0.00 N ATOM 0 H LYS A 32 -4.274 12.014 2.801 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.112 9.640 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.305 10.349 1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.044 11.958 1.177 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.276 11.272 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.627 9.674 -0.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.770 8.917 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.973 9.706 0.808 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.593 10.877 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.742 10.489 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.479 12.701 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.230 12.133 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.871 12.734 -0.858 1.00 0.00 H new ATOM 498 N GLY A 33 -2.756 12.442 0.466 1.00 0.00 N ATOM 499 CA GLY A 33 -1.943 13.199 -0.470 1.00 0.00 C ATOM 500 C GLY A 33 -0.616 12.487 -0.744 1.00 0.00 C ATOM 501 O GLY A 33 -0.236 12.298 -1.898 1.00 0.00 O ATOM 0 H GLY A 33 -2.716 12.773 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.488 13.333 -1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.750 14.194 -0.068 1.00 0.00 H new ATOM 505 N PRO A 34 0.070 12.103 0.366 1.00 0.00 N ATOM 506 CA PRO A 34 1.345 11.416 0.256 1.00 0.00 C ATOM 507 C PRO A 34 1.150 9.960 -0.170 1.00 0.00 C ATOM 508 O PRO A 34 1.937 9.426 -0.950 1.00 0.00 O ATOM 509 CB PRO A 34 1.984 11.553 1.629 1.00 0.00 C ATOM 510 CG PRO A 34 0.853 11.902 2.582 1.00 0.00 C ATOM 511 CD PRO A 34 -0.350 12.310 1.748 1.00 0.00 C ATOM 0 HA PRO A 34 1.988 11.843 -0.513 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.473 10.625 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.748 12.330 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.608 11.048 3.213 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.150 12.714 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.224 11.705 1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.622 13.350 1.928 1.00 0.00 H new ATOM 519 N TRP A 35 0.095 9.358 0.361 1.00 0.00 N ATOM 520 CA TRP A 35 -0.214 7.974 0.046 1.00 0.00 C ATOM 521 C TRP A 35 -0.171 7.814 -1.475 1.00 0.00 C ATOM 522 O TRP A 35 0.301 6.799 -1.984 1.00 0.00 O ATOM 523 CB TRP A 35 -1.556 7.560 0.653 1.00 0.00 C ATOM 524 CG TRP A 35 -2.075 6.210 0.153 1.00 0.00 C ATOM 525 CD1 TRP A 35 -2.679 5.938 -1.011 1.00 0.00 C ATOM 526 CD2 TRP A 35 -2.010 4.951 0.856 1.00 0.00 C ATOM 527 NE1 TRP A 35 -3.008 4.601 -1.111 1.00 0.00 N ATOM 528 CE2 TRP A 35 -2.588 3.982 0.061 1.00 0.00 C ATOM 529 CE3 TRP A 35 -1.481 4.640 2.121 1.00 0.00 C ATOM 530 CZ2 TRP A 35 -2.691 2.639 0.442 1.00 0.00 C ATOM 531 CZ3 TRP A 35 -1.592 3.294 2.487 1.00 0.00 C ATOM 532 CH2 TRP A 35 -2.171 2.306 1.699 1.00 0.00 C ATOM 0 H TRP A 35 -0.556 9.804 1.007 1.00 0.00 H new ATOM 0 HA TRP A 35 0.524 7.304 0.487 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.456 7.520 1.738 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.297 8.328 0.429 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.883 6.673 -1.776 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -3.473 4.151 -1.899 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.025 5.382 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.147 1.899 -0.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.200 3.002 3.450 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -2.220 1.287 2.054 1.00 0.00 H new ATOM 543 N ARG A 36 -0.671 8.833 -2.159 1.00 0.00 N ATOM 544 CA ARG A 36 -0.696 8.819 -3.612 1.00 0.00 C ATOM 545 C ARG A 36 0.696 9.125 -4.169 1.00 0.00 C ATOM 546 O ARG A 36 1.180 8.426 -5.059 1.00 0.00 O ATOM 547 CB ARG A 36 -1.692 9.845 -4.156 1.00 0.00 C ATOM 548 CG ARG A 36 -1.756 9.791 -5.683 1.00 0.00 C ATOM 549 CD ARG A 36 -3.197 9.935 -6.177 1.00 0.00 C ATOM 550 NE ARG A 36 -3.298 11.071 -7.120 1.00 0.00 N ATOM 551 CZ ARG A 36 -4.323 11.261 -7.962 1.00 0.00 C ATOM 552 NH1 ARG A 36 -5.341 10.390 -7.984 1.00 0.00 N ATOM 553 NH2 ARG A 36 -4.330 12.321 -8.781 1.00 0.00 N ATOM 0 H ARG A 36 -1.062 9.674 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.008 7.824 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.681 9.653 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.400 10.845 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.142 10.587 -6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.340 8.847 -6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.516 9.015 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.866 10.093 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.539 11.753 -7.130 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.335 9.583 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.122 10.534 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.555 12.984 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.110 12.465 -9.422 1.00 0.00 H new ATOM 567 N THR A 37 1.301 10.170 -3.624 1.00 0.00 N ATOM 568 CA THR A 37 2.627 10.577 -4.056 1.00 0.00 C ATOM 569 C THR A 37 3.605 9.405 -3.949 1.00 0.00 C ATOM 570 O THR A 37 4.296 9.079 -4.913 1.00 0.00 O ATOM 571 CB THR A 37 3.043 11.793 -3.225 1.00 0.00 C ATOM 572 OG1 THR A 37 2.245 12.855 -3.741 1.00 0.00 O ATOM 573 CG2 THR A 37 4.480 12.234 -3.511 1.00 0.00 C ATOM 0 H THR A 37 0.897 10.747 -2.887 1.00 0.00 H new ATOM 0 HA THR A 37 2.629 10.867 -5.107 1.00 0.00 H new ATOM 0 HB THR A 37 2.939 11.561 -2.165 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.385 12.875 -3.272 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.724 13.100 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.164 11.418 -3.278 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.577 12.498 -4.564 1.00 0.00 H new ATOM 581 N PHE A 38 3.633 8.804 -2.769 1.00 0.00 N ATOM 582 CA PHE A 38 4.515 7.676 -2.524 1.00 0.00 C ATOM 583 C PHE A 38 4.230 6.535 -3.502 1.00 0.00 C ATOM 584 O PHE A 38 5.126 5.763 -3.839 1.00 0.00 O ATOM 585 CB PHE A 38 4.237 7.192 -1.099 1.00 0.00 C ATOM 586 CG PHE A 38 4.830 8.089 -0.010 1.00 0.00 C ATOM 587 CD1 PHE A 38 6.074 8.615 -0.166 1.00 0.00 C ATOM 588 CD2 PHE A 38 4.113 8.359 1.113 1.00 0.00 C ATOM 589 CE1 PHE A 38 6.625 9.447 0.844 1.00 0.00 C ATOM 590 CE2 PHE A 38 4.664 9.191 2.124 1.00 0.00 C ATOM 591 CZ PHE A 38 5.908 9.717 1.968 1.00 0.00 C ATOM 0 H PHE A 38 3.059 9.077 -1.972 1.00 0.00 H new ATOM 0 HA PHE A 38 5.553 7.980 -2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.159 7.125 -0.953 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.638 6.185 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.643 8.400 -1.058 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.125 7.941 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.613 9.865 0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.095 9.406 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.327 10.349 2.737 1.00 0.00 H new ATOM 601 N CYS A 39 2.978 6.464 -3.931 1.00 0.00 N ATOM 602 CA CYS A 39 2.564 5.430 -4.864 1.00 0.00 C ATOM 603 C CYS A 39 2.448 6.056 -6.255 1.00 0.00 C ATOM 604 O CYS A 39 1.865 5.463 -7.160 1.00 0.00 O ATOM 605 CB CYS A 39 1.257 4.765 -4.427 1.00 0.00 C ATOM 606 SG CYS A 39 1.035 3.180 -5.314 1.00 0.00 S ATOM 0 H CYS A 39 2.237 7.106 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 39 3.310 4.636 -4.885 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.270 4.591 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.416 5.427 -4.632 1.00 0.00 H new ATOM 0 HG CYS A 39 1.963 2.346 -4.951 1.00 0.00 H new ATOM 612 N ALA A 40 3.014 7.248 -6.381 1.00 0.00 N ATOM 613 CA ALA A 40 2.982 7.961 -7.647 1.00 0.00 C ATOM 614 C ALA A 40 4.297 7.726 -8.393 1.00 0.00 C ATOM 615 O ALA A 40 4.300 7.187 -9.498 1.00 0.00 O ATOM 616 CB ALA A 40 2.714 9.445 -7.390 1.00 0.00 C ATOM 0 H ALA A 40 3.497 7.737 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 40 2.175 7.588 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.690 9.980 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.755 9.559 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.506 9.854 -6.763 1.00 0.00 H new ATOM 622 N SER A 41 5.383 8.144 -7.759 1.00 0.00 N ATOM 623 CA SER A 41 6.701 7.986 -8.349 1.00 0.00 C ATOM 624 C SER A 41 7.758 7.882 -7.248 1.00 0.00 C ATOM 625 O SER A 41 8.871 8.385 -7.401 1.00 0.00 O ATOM 626 CB SER A 41 7.026 9.148 -9.289 1.00 0.00 C ATOM 627 OG SER A 41 7.750 8.718 -10.439 1.00 0.00 O ATOM 0 H SER A 41 5.377 8.592 -6.843 1.00 0.00 H new ATOM 0 HA SER A 41 6.705 7.067 -8.936 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.100 9.630 -9.603 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.609 9.896 -8.752 1.00 0.00 H new ATOM 0 HG SER A 41 7.937 9.489 -11.015 1.00 0.00 H new ATOM 633 N GLU A 42 7.374 7.227 -6.162 1.00 0.00 N ATOM 634 CA GLU A 42 8.275 7.051 -5.036 1.00 0.00 C ATOM 635 C GLU A 42 8.589 5.567 -4.835 1.00 0.00 C ATOM 636 O GLU A 42 9.754 5.184 -4.733 1.00 0.00 O ATOM 637 CB GLU A 42 7.688 7.664 -3.763 1.00 0.00 C ATOM 638 CG GLU A 42 8.797 8.112 -2.809 1.00 0.00 C ATOM 639 CD GLU A 42 9.180 9.572 -3.061 1.00 0.00 C ATOM 640 OE1 GLU A 42 8.282 10.428 -2.913 1.00 0.00 O ATOM 641 OE2 GLU A 42 10.363 9.799 -3.395 1.00 0.00 O ATOM 0 H GLU A 42 6.451 6.812 -6.038 1.00 0.00 H new ATOM 0 HA GLU A 42 9.206 7.573 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.060 8.516 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.048 6.935 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.465 7.992 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.672 7.475 -2.938 1.00 0.00 H new ATOM 648 N TRP A 43 7.530 4.772 -4.783 1.00 0.00 N ATOM 649 CA TRP A 43 7.679 3.339 -4.596 1.00 0.00 C ATOM 650 C TRP A 43 8.143 2.734 -5.923 1.00 0.00 C ATOM 651 O TRP A 43 9.038 1.891 -5.945 1.00 0.00 O ATOM 652 CB TRP A 43 6.381 2.716 -4.076 1.00 0.00 C ATOM 653 CG TRP A 43 6.110 2.988 -2.595 1.00 0.00 C ATOM 654 CD1 TRP A 43 6.961 3.462 -1.674 1.00 0.00 C ATOM 655 CD2 TRP A 43 4.864 2.780 -1.897 1.00 0.00 C ATOM 656 NE1 TRP A 43 6.356 3.575 -0.439 1.00 0.00 N ATOM 657 CE2 TRP A 43 5.041 3.147 -0.579 1.00 0.00 C ATOM 658 CE3 TRP A 43 3.629 2.299 -2.364 1.00 0.00 C ATOM 659 CZ2 TRP A 43 4.025 3.071 0.381 1.00 0.00 C ATOM 660 CZ3 TRP A 43 2.623 2.229 -1.393 1.00 0.00 C ATOM 661 CH2 TRP A 43 2.785 2.594 -0.061 1.00 0.00 C ATOM 0 H TRP A 43 6.566 5.093 -4.867 1.00 0.00 H new ATOM 0 HA TRP A 43 8.430 3.126 -3.835 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.546 3.098 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.418 1.638 -4.236 1.00 0.00 H new ATOM 0 HD1 TRP A 43 7.990 3.722 -1.873 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.793 3.911 0.419 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.469 2.006 -3.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.189 3.365 1.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.653 1.866 -1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.959 2.510 0.629 1.00 0.00 H new ATOM 672 N PRO A 44 7.496 3.201 -7.024 1.00 0.00 N ATOM 673 CA PRO A 44 7.833 2.715 -8.352 1.00 0.00 C ATOM 674 C PRO A 44 9.157 3.311 -8.834 1.00 0.00 C ATOM 675 O PRO A 44 9.592 3.042 -9.953 1.00 0.00 O ATOM 676 CB PRO A 44 6.652 3.107 -9.225 1.00 0.00 C ATOM 677 CG PRO A 44 5.914 4.197 -8.465 1.00 0.00 C ATOM 678 CD PRO A 44 6.431 4.199 -7.035 1.00 0.00 C ATOM 0 HA PRO A 44 7.990 1.637 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.988 3.468 -10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.002 2.252 -9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.080 5.168 -8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.840 4.014 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 44 6.807 5.182 -6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.642 3.943 -6.328 1.00 0.00 H new ATOM 686 N THR A 45 9.760 4.110 -7.966 1.00 0.00 N ATOM 687 CA THR A 45 11.026 4.746 -8.290 1.00 0.00 C ATOM 688 C THR A 45 12.112 4.301 -7.309 1.00 0.00 C ATOM 689 O THR A 45 13.166 4.929 -7.218 1.00 0.00 O ATOM 690 CB THR A 45 10.804 6.260 -8.304 1.00 0.00 C ATOM 691 OG1 THR A 45 10.311 6.551 -6.999 1.00 0.00 O ATOM 692 CG2 THR A 45 9.662 6.676 -9.234 1.00 0.00 C ATOM 0 H THR A 45 9.396 4.331 -7.039 1.00 0.00 H new ATOM 0 HA THR A 45 11.379 4.445 -9.276 1.00 0.00 H new ATOM 0 HB THR A 45 11.723 6.758 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.023 7.487 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.547 7.760 -9.207 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.889 6.361 -10.252 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.736 6.204 -8.906 1.00 0.00 H new ATOM 700 N PHE A 46 11.819 3.221 -6.601 1.00 0.00 N ATOM 701 CA PHE A 46 12.758 2.684 -5.630 1.00 0.00 C ATOM 702 C PHE A 46 13.663 1.629 -6.269 1.00 0.00 C ATOM 703 O PHE A 46 14.724 1.311 -5.735 1.00 0.00 O ATOM 704 CB PHE A 46 11.931 2.027 -4.524 1.00 0.00 C ATOM 705 CG PHE A 46 11.629 2.949 -3.341 1.00 0.00 C ATOM 706 CD1 PHE A 46 11.759 4.296 -3.479 1.00 0.00 C ATOM 707 CD2 PHE A 46 11.233 2.423 -2.151 1.00 0.00 C ATOM 708 CE1 PHE A 46 11.479 5.152 -2.381 1.00 0.00 C ATOM 709 CE2 PHE A 46 10.953 3.279 -1.054 1.00 0.00 C ATOM 710 CZ PHE A 46 11.082 4.626 -1.191 1.00 0.00 C ATOM 0 H PHE A 46 10.944 2.702 -6.680 1.00 0.00 H new ATOM 0 HA PHE A 46 13.392 3.482 -5.244 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.990 1.677 -4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.463 1.148 -4.160 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.075 4.714 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 46 11.132 1.353 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.581 6.222 -2.491 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.637 2.860 -0.110 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.869 5.277 -0.356 1.00 0.00 H new ATOM 720 N ASP A 47 13.210 1.115 -7.403 1.00 0.00 N ATOM 721 CA ASP A 47 13.966 0.102 -8.120 1.00 0.00 C ATOM 722 C ASP A 47 13.770 -1.253 -7.438 1.00 0.00 C ATOM 723 O ASP A 47 14.587 -1.660 -6.613 1.00 0.00 O ATOM 724 CB ASP A 47 15.462 0.423 -8.114 1.00 0.00 C ATOM 725 CG ASP A 47 16.242 -0.104 -9.319 1.00 0.00 C ATOM 726 OD1 ASP A 47 16.216 0.589 -10.359 1.00 0.00 O ATOM 727 OD2 ASP A 47 16.846 -1.189 -9.174 1.00 0.00 O ATOM 0 H ASP A 47 12.329 1.381 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 47 13.607 0.079 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.586 1.505 -8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.903 0.011 -7.206 1.00 0.00 H new ATOM 732 N VAL A 48 12.683 -1.914 -7.807 1.00 0.00 N ATOM 733 CA VAL A 48 12.369 -3.215 -7.240 1.00 0.00 C ATOM 734 C VAL A 48 11.394 -3.947 -8.164 1.00 0.00 C ATOM 735 O VAL A 48 11.571 -5.132 -8.444 1.00 0.00 O ATOM 736 CB VAL A 48 11.834 -3.050 -5.816 1.00 0.00 C ATOM 737 CG1 VAL A 48 12.971 -3.106 -4.793 1.00 0.00 C ATOM 738 CG2 VAL A 48 11.035 -1.753 -5.677 1.00 0.00 C ATOM 0 H VAL A 48 12.008 -1.573 -8.492 1.00 0.00 H new ATOM 0 HA VAL A 48 13.268 -3.827 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 48 11.160 -3.882 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.563 -2.986 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 48 13.479 -4.068 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.681 -2.304 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.666 -1.661 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.677 -0.903 -5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.191 -1.770 -6.367 1.00 0.00 H new ATOM 748 N GLY A 49 10.387 -3.212 -8.612 1.00 0.00 N ATOM 749 CA GLY A 49 9.384 -3.777 -9.499 1.00 0.00 C ATOM 750 C GLY A 49 7.976 -3.362 -9.068 1.00 0.00 C ATOM 751 O GLY A 49 7.051 -4.172 -9.096 1.00 0.00 O ATOM 0 H GLY A 49 10.244 -2.230 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.568 -3.445 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.463 -4.864 -9.498 1.00 0.00 H new ATOM 755 N TRP A 50 7.858 -2.101 -8.680 1.00 0.00 N ATOM 756 CA TRP A 50 6.578 -1.569 -8.245 1.00 0.00 C ATOM 757 C TRP A 50 6.023 -0.692 -9.369 1.00 0.00 C ATOM 758 O TRP A 50 6.694 0.229 -9.832 1.00 0.00 O ATOM 759 CB TRP A 50 6.718 -0.821 -6.918 1.00 0.00 C ATOM 760 CG TRP A 50 5.431 -0.140 -6.448 1.00 0.00 C ATOM 761 CD1 TRP A 50 4.893 1.004 -6.891 1.00 0.00 C ATOM 762 CD2 TRP A 50 4.535 -0.611 -5.419 1.00 0.00 C ATOM 763 NE1 TRP A 50 3.722 1.304 -6.226 1.00 0.00 N ATOM 764 CE2 TRP A 50 3.497 0.290 -5.302 1.00 0.00 C ATOM 765 CE3 TRP A 50 4.600 -1.762 -4.613 1.00 0.00 C ATOM 766 CZ2 TRP A 50 2.446 0.136 -4.391 1.00 0.00 C ATOM 767 CZ3 TRP A 50 3.542 -1.901 -3.707 1.00 0.00 C ATOM 768 CH2 TRP A 50 2.490 -1.003 -3.577 1.00 0.00 C ATOM 0 H TRP A 50 8.628 -1.432 -8.658 1.00 0.00 H new ATOM 0 HA TRP A 50 5.871 -2.376 -8.052 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.047 -1.522 -6.151 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.500 -0.068 -7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.322 1.615 -7.671 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.130 2.120 -6.383 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.402 -2.481 -4.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.644 0.856 -4.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.544 -2.768 -3.063 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.710 -1.182 -2.852 1.00 0.00 H new ATOM 779 N PRO A 51 4.770 -1.018 -9.788 1.00 0.00 N ATOM 780 CA PRO A 51 4.118 -0.271 -10.849 1.00 0.00 C ATOM 781 C PRO A 51 3.632 1.089 -10.344 1.00 0.00 C ATOM 782 O PRO A 51 3.529 1.306 -9.138 1.00 0.00 O ATOM 783 CB PRO A 51 2.985 -1.168 -11.322 1.00 0.00 C ATOM 784 CG PRO A 51 2.756 -2.174 -10.206 1.00 0.00 C ATOM 785 CD PRO A 51 3.946 -2.103 -9.263 1.00 0.00 C ATOM 0 HA PRO A 51 4.792 -0.034 -11.672 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.083 -0.588 -11.516 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.247 -1.671 -12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.832 -1.949 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.652 -3.179 -10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.629 -1.900 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.495 -3.045 -9.246 1.00 0.00 H new ATOM 793 N PRO A 52 3.339 1.992 -11.317 1.00 0.00 N ATOM 794 CA PRO A 52 2.866 3.325 -10.983 1.00 0.00 C ATOM 795 C PRO A 52 1.406 3.291 -10.527 1.00 0.00 C ATOM 796 O PRO A 52 0.940 4.211 -9.857 1.00 0.00 O ATOM 797 CB PRO A 52 3.075 4.144 -12.246 1.00 0.00 C ATOM 798 CG PRO A 52 3.220 3.138 -13.377 1.00 0.00 C ATOM 799 CD PRO A 52 3.449 1.770 -12.756 1.00 0.00 C ATOM 0 HA PRO A 52 3.406 3.765 -10.145 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.231 4.811 -12.423 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.964 4.769 -12.163 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.325 3.130 -13.998 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.055 3.408 -14.024 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.709 1.049 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.429 1.374 -13.022 1.00 0.00 H new ATOM 807 N GLU A 53 0.725 2.221 -10.908 1.00 0.00 N ATOM 808 CA GLU A 53 -0.672 2.055 -10.546 1.00 0.00 C ATOM 809 C GLU A 53 -0.790 1.367 -9.185 1.00 0.00 C ATOM 810 O GLU A 53 -1.785 1.539 -8.482 1.00 0.00 O ATOM 811 CB GLU A 53 -1.428 1.273 -11.623 1.00 0.00 C ATOM 812 CG GLU A 53 -1.514 2.074 -12.924 1.00 0.00 C ATOM 813 CD GLU A 53 -0.119 2.396 -13.462 1.00 0.00 C ATOM 814 OE1 GLU A 53 0.593 1.429 -13.809 1.00 0.00 O ATOM 815 OE2 GLU A 53 0.205 3.603 -13.515 1.00 0.00 O ATOM 0 H GLU A 53 1.115 1.460 -11.464 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.128 3.042 -10.472 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.925 0.324 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.432 1.038 -11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.073 1.507 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.063 2.999 -12.750 1.00 0.00 H new ATOM 822 N GLY A 54 0.240 0.602 -8.853 1.00 0.00 N ATOM 823 CA GLY A 54 0.264 -0.113 -7.588 1.00 0.00 C ATOM 824 C GLY A 54 0.073 -1.616 -7.803 1.00 0.00 C ATOM 825 O GLY A 54 -0.208 -2.056 -8.917 1.00 0.00 O ATOM 0 H GLY A 54 1.064 0.462 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.212 0.068 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.523 0.267 -6.936 1.00 0.00 H new ATOM 829 N THR A 55 0.233 -2.361 -6.720 1.00 0.00 N ATOM 830 CA THR A 55 0.081 -3.805 -6.776 1.00 0.00 C ATOM 831 C THR A 55 -0.100 -4.378 -5.369 1.00 0.00 C ATOM 832 O THR A 55 0.522 -3.906 -4.418 1.00 0.00 O ATOM 833 CB THR A 55 1.292 -4.379 -7.514 1.00 0.00 C ATOM 834 OG1 THR A 55 0.953 -5.747 -7.726 1.00 0.00 O ATOM 835 CG2 THR A 55 2.541 -4.437 -6.633 1.00 0.00 C ATOM 0 H THR A 55 0.466 -1.992 -5.798 1.00 0.00 H new ATOM 0 HA THR A 55 -0.817 -4.087 -7.325 1.00 0.00 H new ATOM 0 HB THR A 55 1.499 -3.775 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.684 -6.195 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.371 -4.852 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.797 -3.432 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.346 -5.069 -5.766 1.00 0.00 H new ATOM 843 N PHE A 56 -0.956 -5.386 -5.281 1.00 0.00 N ATOM 844 CA PHE A 56 -1.227 -6.027 -4.006 1.00 0.00 C ATOM 845 C PHE A 56 -0.427 -7.324 -3.863 1.00 0.00 C ATOM 846 O PHE A 56 -0.930 -8.313 -3.333 1.00 0.00 O ATOM 847 CB PHE A 56 -2.720 -6.358 -3.980 1.00 0.00 C ATOM 848 CG PHE A 56 -3.619 -5.157 -3.679 1.00 0.00 C ATOM 849 CD1 PHE A 56 -3.545 -4.538 -2.470 1.00 0.00 C ATOM 850 CD2 PHE A 56 -4.492 -4.709 -4.620 1.00 0.00 C ATOM 851 CE1 PHE A 56 -4.379 -3.424 -2.191 1.00 0.00 C ATOM 852 CE2 PHE A 56 -5.326 -3.594 -4.341 1.00 0.00 C ATOM 853 CZ PHE A 56 -5.252 -2.975 -3.132 1.00 0.00 C ATOM 0 H PHE A 56 -1.470 -5.774 -6.072 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.943 -5.364 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.005 -6.779 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.898 -7.129 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.852 -4.894 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.551 -5.201 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.320 -2.933 -1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.019 -3.237 -5.089 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.886 -2.127 -2.920 1.00 0.00 H new ATOM 863 N ASP A 57 0.806 -7.277 -4.345 1.00 0.00 N ATOM 864 CA ASP A 57 1.681 -8.435 -4.278 1.00 0.00 C ATOM 865 C ASP A 57 2.643 -8.275 -3.099 1.00 0.00 C ATOM 866 O ASP A 57 3.543 -7.438 -3.137 1.00 0.00 O ATOM 867 CB ASP A 57 2.515 -8.570 -5.554 1.00 0.00 C ATOM 868 CG ASP A 57 3.388 -9.824 -5.626 1.00 0.00 C ATOM 869 OD1 ASP A 57 3.290 -10.639 -4.683 1.00 0.00 O ATOM 870 OD2 ASP A 57 4.134 -9.940 -6.623 1.00 0.00 O ATOM 0 H ASP A 57 1.220 -6.455 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 57 1.058 -9.322 -4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.843 -8.564 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.156 -7.693 -5.645 1.00 0.00 H new ATOM 875 N LEU A 58 2.419 -9.091 -2.079 1.00 0.00 N ATOM 876 CA LEU A 58 3.254 -9.050 -0.891 1.00 0.00 C ATOM 877 C LEU A 58 4.726 -9.020 -1.309 1.00 0.00 C ATOM 878 O LEU A 58 5.540 -8.347 -0.677 1.00 0.00 O ATOM 879 CB LEU A 58 2.905 -10.206 0.049 1.00 0.00 C ATOM 880 CG LEU A 58 2.882 -9.873 1.542 1.00 0.00 C ATOM 881 CD1 LEU A 58 1.525 -9.299 1.954 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.268 -11.092 2.382 1.00 0.00 C ATOM 0 H LEU A 58 1.671 -9.784 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 58 3.065 -8.139 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.926 -10.593 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.624 -11.009 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 58 3.629 -9.102 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.535 -9.071 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.329 -8.387 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.743 -10.029 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.244 -10.828 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.563 -11.902 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.273 -11.416 2.112 1.00 0.00 H new ATOM 894 N THR A 59 5.022 -9.756 -2.369 1.00 0.00 N ATOM 895 CA THR A 59 6.382 -9.822 -2.878 1.00 0.00 C ATOM 896 C THR A 59 6.877 -8.425 -3.259 1.00 0.00 C ATOM 897 O THR A 59 7.951 -8.005 -2.831 1.00 0.00 O ATOM 898 CB THR A 59 6.403 -10.813 -4.044 1.00 0.00 C ATOM 899 OG1 THR A 59 6.259 -12.086 -3.420 1.00 0.00 O ATOM 900 CG2 THR A 59 7.770 -10.885 -4.726 1.00 0.00 C ATOM 0 H THR A 59 4.344 -10.312 -2.890 1.00 0.00 H new ATOM 0 HA THR A 59 7.073 -10.181 -2.115 1.00 0.00 H new ATOM 0 HB THR A 59 5.647 -10.529 -4.776 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.261 -12.788 -4.104 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.730 -11.602 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.034 -9.902 -5.116 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.521 -11.202 -4.003 1.00 0.00 H new ATOM 908 N VAL A 60 6.070 -7.744 -4.060 1.00 0.00 N ATOM 909 CA VAL A 60 6.412 -6.404 -4.503 1.00 0.00 C ATOM 910 C VAL A 60 6.346 -5.445 -3.313 1.00 0.00 C ATOM 911 O VAL A 60 7.114 -4.487 -3.239 1.00 0.00 O ATOM 912 CB VAL A 60 5.501 -5.986 -5.659 1.00 0.00 C ATOM 913 CG1 VAL A 60 5.804 -4.554 -6.106 1.00 0.00 C ATOM 914 CG2 VAL A 60 5.618 -6.963 -6.830 1.00 0.00 C ATOM 0 H VAL A 60 5.180 -8.096 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 60 7.432 -6.378 -4.885 1.00 0.00 H new ATOM 0 HB VAL A 60 4.472 -6.014 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.143 -4.282 -6.929 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.645 -3.871 -5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.841 -4.488 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.960 -6.643 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.648 -6.982 -7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.329 -7.961 -6.501 1.00 0.00 H new ATOM 924 N ILE A 61 5.421 -5.736 -2.410 1.00 0.00 N ATOM 925 CA ILE A 61 5.244 -4.912 -1.227 1.00 0.00 C ATOM 926 C ILE A 61 6.482 -5.034 -0.336 1.00 0.00 C ATOM 927 O ILE A 61 7.084 -4.028 0.037 1.00 0.00 O ATOM 928 CB ILE A 61 3.937 -5.269 -0.515 1.00 0.00 C ATOM 929 CG1 ILE A 61 2.726 -4.814 -1.333 1.00 0.00 C ATOM 930 CG2 ILE A 61 3.914 -4.703 0.906 1.00 0.00 C ATOM 931 CD1 ILE A 61 1.419 -5.204 -0.640 1.00 0.00 C ATOM 0 H ILE A 61 4.786 -6.532 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 61 5.152 -3.862 -1.505 1.00 0.00 H new ATOM 0 HB ILE A 61 3.880 -6.354 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.761 -3.733 -1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.764 -5.263 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.975 -4.971 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.746 -5.116 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.005 -3.618 0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.574 -4.869 -1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.377 -6.287 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.374 -4.734 0.342 1.00 0.00 H new ATOM 943 N PHE A 62 6.824 -6.274 -0.020 1.00 0.00 N ATOM 944 CA PHE A 62 7.980 -6.541 0.820 1.00 0.00 C ATOM 945 C PHE A 62 9.242 -5.903 0.235 1.00 0.00 C ATOM 946 O PHE A 62 10.182 -5.595 0.966 1.00 0.00 O ATOM 947 CB PHE A 62 8.162 -8.059 0.861 1.00 0.00 C ATOM 948 CG PHE A 62 7.670 -8.710 2.155 1.00 0.00 C ATOM 949 CD1 PHE A 62 6.374 -8.562 2.541 1.00 0.00 C ATOM 950 CD2 PHE A 62 8.527 -9.437 2.920 1.00 0.00 C ATOM 951 CE1 PHE A 62 5.917 -9.166 3.742 1.00 0.00 C ATOM 952 CE2 PHE A 62 8.070 -10.041 4.121 1.00 0.00 C ATOM 953 CZ PHE A 62 6.775 -9.893 4.507 1.00 0.00 C ATOM 0 H PHE A 62 6.321 -7.105 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 62 7.822 -6.123 1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.630 -8.501 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 62 9.219 -8.292 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.692 -7.985 1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.556 -9.555 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.888 -9.048 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 62 8.752 -10.618 4.728 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.428 -10.352 5.421 1.00 0.00 H new ATOM 963 N GLU A 63 9.222 -5.724 -1.077 1.00 0.00 N ATOM 964 CA GLU A 63 10.353 -5.129 -1.769 1.00 0.00 C ATOM 965 C GLU A 63 10.507 -3.661 -1.367 1.00 0.00 C ATOM 966 O GLU A 63 11.589 -3.233 -0.967 1.00 0.00 O ATOM 967 CB GLU A 63 10.205 -5.270 -3.285 1.00 0.00 C ATOM 968 CG GLU A 63 10.274 -6.739 -3.708 1.00 0.00 C ATOM 969 CD GLU A 63 11.642 -7.072 -4.308 1.00 0.00 C ATOM 970 OE1 GLU A 63 12.630 -6.994 -3.547 1.00 0.00 O ATOM 971 OE2 GLU A 63 11.667 -7.398 -5.515 1.00 0.00 O ATOM 0 H GLU A 63 8.440 -5.981 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 63 11.256 -5.663 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.255 -4.841 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.993 -4.706 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.085 -7.379 -2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.492 -6.948 -4.438 1.00 0.00 H new ATOM 978 N VAL A 64 9.409 -2.928 -1.489 1.00 0.00 N ATOM 979 CA VAL A 64 9.409 -1.517 -1.144 1.00 0.00 C ATOM 980 C VAL A 64 9.594 -1.366 0.368 1.00 0.00 C ATOM 981 O VAL A 64 10.316 -0.480 0.823 1.00 0.00 O ATOM 982 CB VAL A 64 8.131 -0.852 -1.659 1.00 0.00 C ATOM 983 CG1 VAL A 64 7.867 0.467 -0.931 1.00 0.00 C ATOM 984 CG2 VAL A 64 8.195 -0.640 -3.173 1.00 0.00 C ATOM 0 H VAL A 64 8.514 -3.286 -1.822 1.00 0.00 H new ATOM 0 HA VAL A 64 10.242 -1.006 -1.626 1.00 0.00 H new ATOM 0 HB VAL A 64 7.297 -1.522 -1.450 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.953 0.919 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.756 0.277 0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.704 1.146 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.274 -0.166 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.044 -0.000 -3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.313 -1.603 -3.671 1.00 0.00 H new ATOM 994 N LYS A 65 8.930 -2.245 1.104 1.00 0.00 N ATOM 995 CA LYS A 65 9.012 -2.220 2.554 1.00 0.00 C ATOM 996 C LYS A 65 10.459 -2.472 2.983 1.00 0.00 C ATOM 997 O LYS A 65 10.924 -1.907 3.971 1.00 0.00 O ATOM 998 CB LYS A 65 8.009 -3.202 3.164 1.00 0.00 C ATOM 999 CG LYS A 65 8.156 -3.261 4.686 1.00 0.00 C ATOM 1000 CD LYS A 65 7.779 -4.644 5.220 1.00 0.00 C ATOM 1001 CE LYS A 65 8.642 -5.020 6.426 1.00 0.00 C ATOM 1002 NZ LYS A 65 9.173 -6.393 6.276 1.00 0.00 N ATOM 0 H LYS A 65 8.333 -2.979 0.723 1.00 0.00 H new ATOM 0 HA LYS A 65 8.733 -1.238 2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.995 -2.899 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.163 -4.195 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.183 -3.027 4.965 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.521 -2.504 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.727 -4.654 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.903 -5.388 4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.466 -4.314 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.051 -4.950 7.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.756 -6.632 7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.383 -7.065 6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.754 -6.448 5.415 1.00 0.00 H new ATOM 1016 N ALA A 66 11.129 -3.322 2.219 1.00 0.00 N ATOM 1017 CA ALA A 66 12.513 -3.656 2.508 1.00 0.00 C ATOM 1018 C ALA A 66 13.356 -2.379 2.492 1.00 0.00 C ATOM 1019 O ALA A 66 14.063 -2.086 3.454 1.00 0.00 O ATOM 1020 CB ALA A 66 13.009 -4.694 1.499 1.00 0.00 C ATOM 0 H ALA A 66 10.739 -3.789 1.400 1.00 0.00 H new ATOM 0 HA ALA A 66 12.602 -4.097 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 66 14.047 -4.945 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.396 -5.593 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.937 -4.285 0.491 1.00 0.00 H new ATOM 1026 N ILE A 67 13.252 -1.653 1.388 1.00 0.00 N ATOM 1027 CA ILE A 67 13.995 -0.415 1.234 1.00 0.00 C ATOM 1028 C ILE A 67 13.491 0.608 2.255 1.00 0.00 C ATOM 1029 O ILE A 67 14.284 1.325 2.863 1.00 0.00 O ATOM 1030 CB ILE A 67 13.925 0.076 -0.214 1.00 0.00 C ATOM 1031 CG1 ILE A 67 14.549 -0.943 -1.169 1.00 0.00 C ATOM 1032 CG2 ILE A 67 14.563 1.460 -0.355 1.00 0.00 C ATOM 1033 CD1 ILE A 67 13.558 -1.351 -2.261 1.00 0.00 C ATOM 0 H ILE A 67 12.664 -1.899 0.592 1.00 0.00 H new ATOM 0 HA ILE A 67 15.053 -0.578 1.440 1.00 0.00 H new ATOM 0 HB ILE A 67 12.875 0.176 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 67 15.444 -0.519 -1.625 1.00 0.00 H new ATOM 0 HG13 ILE A 67 14.863 -1.825 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 67 14.500 1.786 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 67 14.035 2.171 0.281 1.00 0.00 H new ATOM 0 HG23 ILE A 67 15.609 1.411 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 67 14.027 -2.076 -2.926 1.00 0.00 H new ATOM 0 HD12 ILE A 67 12.675 -1.797 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 67 13.264 -0.471 -2.833 1.00 0.00 H new ATOM 1045 N VAL A 68 12.176 0.642 2.411 1.00 0.00 N ATOM 1046 CA VAL A 68 11.557 1.564 3.347 1.00 0.00 C ATOM 1047 C VAL A 68 12.074 1.275 4.758 1.00 0.00 C ATOM 1048 O VAL A 68 12.512 2.184 5.461 1.00 0.00 O ATOM 1049 CB VAL A 68 10.034 1.476 3.239 1.00 0.00 C ATOM 1050 CG1 VAL A 68 9.363 2.004 4.509 1.00 0.00 C ATOM 1051 CG2 VAL A 68 9.528 2.221 2.002 1.00 0.00 C ATOM 0 H VAL A 68 11.522 0.045 1.904 1.00 0.00 H new ATOM 0 HA VAL A 68 11.827 2.592 3.106 1.00 0.00 H new ATOM 0 HB VAL A 68 9.766 0.425 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.280 1.930 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.687 1.412 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.643 3.046 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.442 2.143 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.813 3.271 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.968 1.781 1.107 1.00 0.00 H new ATOM 1061 N PHE A 69 12.006 0.005 5.130 1.00 0.00 N ATOM 1062 CA PHE A 69 12.462 -0.415 6.444 1.00 0.00 C ATOM 1063 C PHE A 69 13.941 -0.805 6.413 1.00 0.00 C ATOM 1064 O PHE A 69 14.338 -1.796 7.024 1.00 0.00 O ATOM 1065 CB PHE A 69 11.632 -1.640 6.835 1.00 0.00 C ATOM 1066 CG PHE A 69 10.198 -1.312 7.255 1.00 0.00 C ATOM 1067 CD1 PHE A 69 9.300 -0.880 6.330 1.00 0.00 C ATOM 1068 CD2 PHE A 69 9.821 -1.452 8.555 1.00 0.00 C ATOM 1069 CE1 PHE A 69 7.969 -0.575 6.720 1.00 0.00 C ATOM 1070 CE2 PHE A 69 8.491 -1.147 8.945 1.00 0.00 C ATOM 1071 CZ PHE A 69 7.592 -0.715 8.020 1.00 0.00 C ATOM 0 H PHE A 69 11.642 -0.747 4.544 1.00 0.00 H new ATOM 0 HA PHE A 69 12.344 0.401 7.157 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.604 -2.331 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.130 -2.157 7.655 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.599 -0.769 5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.534 -1.795 9.290 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.256 -0.232 5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.192 -1.258 9.977 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.580 -0.483 8.317 1.00 0.00 H new ATOM 1081 N GLN A 70 14.716 -0.005 5.695 1.00 0.00 N ATOM 1082 CA GLN A 70 16.142 -0.254 5.576 1.00 0.00 C ATOM 1083 C GLN A 70 16.891 0.381 6.750 1.00 0.00 C ATOM 1084 O GLN A 70 16.273 0.903 7.676 1.00 0.00 O ATOM 1085 CB GLN A 70 16.679 0.262 4.240 1.00 0.00 C ATOM 1086 CG GLN A 70 16.931 1.770 4.295 1.00 0.00 C ATOM 1087 CD GLN A 70 17.456 2.288 2.954 1.00 0.00 C ATOM 1088 OE1 GLN A 70 18.598 2.694 2.821 1.00 0.00 O ATOM 1089 NE2 GLN A 70 16.560 2.250 1.972 1.00 0.00 N ATOM 0 H GLN A 70 14.383 0.816 5.190 1.00 0.00 H new ATOM 0 HA GLN A 70 16.307 -1.331 5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 70 17.605 -0.256 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.966 0.038 3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.007 2.288 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 70 17.651 1.993 5.082 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.620 1.897 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.813 2.573 1.038 1.00 0.00 H new ATOM 1098 N ASP A 71 18.212 0.316 6.672 1.00 0.00 N ATOM 1099 CA ASP A 71 19.052 0.878 7.716 1.00 0.00 C ATOM 1100 C ASP A 71 19.677 2.181 7.216 1.00 0.00 C ATOM 1101 O ASP A 71 20.089 2.273 6.060 1.00 0.00 O ATOM 1102 CB ASP A 71 20.187 -0.080 8.085 1.00 0.00 C ATOM 1103 CG ASP A 71 21.314 0.542 8.912 1.00 0.00 C ATOM 1104 OD1 ASP A 71 22.124 1.277 8.307 1.00 0.00 O ATOM 1105 OD2 ASP A 71 21.341 0.267 10.132 1.00 0.00 O ATOM 0 H ASP A 71 18.721 -0.117 5.902 1.00 0.00 H new ATOM 0 HA ASP A 71 18.428 1.053 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.768 -0.918 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 71 20.612 -0.487 7.167 1.00 0.00 H new ATOM 1110 N GLY A 72 19.728 3.157 8.110 1.00 0.00 N ATOM 1111 CA GLY A 72 20.296 4.452 7.774 1.00 0.00 C ATOM 1112 C GLY A 72 19.197 5.494 7.558 1.00 0.00 C ATOM 1113 O GLY A 72 18.035 5.251 7.880 1.00 0.00 O ATOM 0 H GLY A 72 19.385 3.077 9.067 1.00 0.00 H new ATOM 0 HA2 GLY A 72 20.961 4.780 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 20.901 4.364 6.872 1.00 0.00 H new ATOM 1117 N PRO A 73 19.613 6.662 7.000 1.00 0.00 N ATOM 1118 CA PRO A 73 18.677 7.742 6.738 1.00 0.00 C ATOM 1119 C PRO A 73 17.807 7.429 5.518 1.00 0.00 C ATOM 1120 O PRO A 73 16.910 8.198 5.178 1.00 0.00 O ATOM 1121 CB PRO A 73 19.543 8.976 6.549 1.00 0.00 C ATOM 1122 CG PRO A 73 20.942 8.462 6.251 1.00 0.00 C ATOM 1123 CD PRO A 73 20.981 6.985 6.606 1.00 0.00 C ATOM 0 HA PRO A 73 17.968 7.891 7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.171 9.593 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.538 9.598 7.444 1.00 0.00 H new ATOM 0 HG2 PRO A 73 21.186 8.608 5.199 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.683 9.014 6.830 1.00 0.00 H new ATOM 0 HD2 PRO A 73 21.301 6.382 5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 73 21.683 6.791 7.417 1.00 0.00 H new ATOM 1131 N GLY A 74 18.104 6.299 4.894 1.00 0.00 N ATOM 1132 CA GLY A 74 17.361 5.875 3.719 1.00 0.00 C ATOM 1133 C GLY A 74 15.965 5.380 4.103 1.00 0.00 C ATOM 1134 O GLY A 74 15.006 5.577 3.358 1.00 0.00 O ATOM 0 H GLY A 74 18.849 5.664 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.276 6.706 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.905 5.081 3.207 1.00 0.00 H new ATOM 1138 N SER A 75 15.895 4.747 5.265 1.00 0.00 N ATOM 1139 CA SER A 75 14.633 4.222 5.757 1.00 0.00 C ATOM 1140 C SER A 75 13.540 5.285 5.631 1.00 0.00 C ATOM 1141 O SER A 75 13.815 6.480 5.736 1.00 0.00 O ATOM 1142 CB SER A 75 14.757 3.759 7.210 1.00 0.00 C ATOM 1143 OG SER A 75 15.375 4.745 8.033 1.00 0.00 O ATOM 0 H SER A 75 16.693 4.586 5.880 1.00 0.00 H new ATOM 0 HA SER A 75 14.363 3.357 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.767 3.528 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 75 15.339 2.838 7.249 1.00 0.00 H new ATOM 0 HG SER A 75 16.337 4.770 7.847 1.00 0.00 H new ATOM 1149 N HIS A 76 12.322 4.813 5.407 1.00 0.00 N ATOM 1150 CA HIS A 76 11.186 5.708 5.266 1.00 0.00 C ATOM 1151 C HIS A 76 10.220 5.499 6.433 1.00 0.00 C ATOM 1152 O HIS A 76 9.363 4.618 6.384 1.00 0.00 O ATOM 1153 CB HIS A 76 10.517 5.525 3.902 1.00 0.00 C ATOM 1154 CG HIS A 76 11.400 5.886 2.731 1.00 0.00 C ATOM 1155 ND1 HIS A 76 11.780 7.187 2.454 1.00 0.00 N ATOM 1156 CD2 HIS A 76 11.972 5.104 1.772 1.00 0.00 C ATOM 1157 CE1 HIS A 76 12.547 7.177 1.373 1.00 0.00 C ATOM 1158 NE2 HIS A 76 12.664 5.885 0.951 1.00 0.00 N ATOM 0 H HIS A 76 12.097 3.822 5.320 1.00 0.00 H new ATOM 0 HA HIS A 76 11.527 6.743 5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.202 4.487 3.800 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.615 6.137 3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.878 4.031 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.000 8.040 0.908 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.195 5.571 0.139 1.00 0.00 H new ATOM 1166 N PRO A 77 10.395 6.346 7.483 1.00 0.00 N ATOM 1167 CA PRO A 77 9.548 6.263 8.661 1.00 0.00 C ATOM 1168 C PRO A 77 8.160 6.842 8.380 1.00 0.00 C ATOM 1169 O PRO A 77 7.228 6.633 9.155 1.00 0.00 O ATOM 1170 CB PRO A 77 10.301 7.022 9.741 1.00 0.00 C ATOM 1171 CG PRO A 77 11.311 7.893 9.011 1.00 0.00 C ATOM 1172 CD PRO A 77 11.399 7.401 7.575 1.00 0.00 C ATOM 0 HA PRO A 77 9.360 5.236 8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.621 7.629 10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.800 6.336 10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.004 8.938 9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 77 12.286 7.835 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.195 8.205 6.868 1.00 0.00 H new ATOM 0 HD3 PRO A 77 12.395 7.021 7.347 1.00 0.00 H new ATOM 1180 N ASP A 78 8.066 7.558 7.270 1.00 0.00 N ATOM 1181 CA ASP A 78 6.807 8.169 6.877 1.00 0.00 C ATOM 1182 C ASP A 78 6.014 7.184 6.016 1.00 0.00 C ATOM 1183 O ASP A 78 4.791 7.112 6.116 1.00 0.00 O ATOM 1184 CB ASP A 78 7.043 9.435 6.052 1.00 0.00 C ATOM 1185 CG ASP A 78 7.300 10.702 6.871 1.00 0.00 C ATOM 1186 OD1 ASP A 78 6.298 11.351 7.242 1.00 0.00 O ATOM 1187 OD2 ASP A 78 8.493 10.993 7.107 1.00 0.00 O ATOM 0 H ASP A 78 8.841 7.729 6.630 1.00 0.00 H new ATOM 0 HA ASP A 78 6.260 8.427 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.895 9.268 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.175 9.602 5.415 1.00 0.00 H new ATOM 1192 N GLN A 79 6.744 6.450 5.188 1.00 0.00 N ATOM 1193 CA GLN A 79 6.125 5.473 4.310 1.00 0.00 C ATOM 1194 C GLN A 79 5.999 4.124 5.021 1.00 0.00 C ATOM 1195 O GLN A 79 5.235 3.261 4.592 1.00 0.00 O ATOM 1196 CB GLN A 79 6.910 5.334 3.004 1.00 0.00 C ATOM 1197 CG GLN A 79 7.069 6.689 2.312 1.00 0.00 C ATOM 1198 CD GLN A 79 8.233 6.665 1.320 1.00 0.00 C ATOM 1199 OE1 GLN A 79 9.349 7.052 1.623 1.00 0.00 O ATOM 1200 NE2 GLN A 79 7.911 6.191 0.120 1.00 0.00 N ATOM 0 H GLN A 79 7.759 6.513 5.107 1.00 0.00 H new ATOM 0 HA GLN A 79 5.124 5.823 4.058 1.00 0.00 H new ATOM 0 HB2 GLN A 79 7.893 4.909 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 79 6.396 4.640 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.147 6.945 1.790 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.239 7.465 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.957 5.883 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.618 6.135 -0.613 1.00 0.00 H new ATOM 1209 N GLN A 80 6.762 3.984 6.095 1.00 0.00 N ATOM 1210 CA GLN A 80 6.746 2.755 6.870 1.00 0.00 C ATOM 1211 C GLN A 80 5.306 2.345 7.185 1.00 0.00 C ATOM 1212 O GLN A 80 4.928 1.191 6.988 1.00 0.00 O ATOM 1213 CB GLN A 80 7.567 2.904 8.152 1.00 0.00 C ATOM 1214 CG GLN A 80 8.965 2.307 7.981 1.00 0.00 C ATOM 1215 CD GLN A 80 9.949 2.921 8.978 1.00 0.00 C ATOM 1216 OE1 GLN A 80 9.721 2.953 10.176 1.00 0.00 O ATOM 1217 NE2 GLN A 80 11.054 3.406 8.418 1.00 0.00 N ATOM 0 H GLN A 80 7.396 4.702 6.447 1.00 0.00 H new ATOM 0 HA GLN A 80 7.205 1.967 6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.648 3.959 8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.054 2.408 8.976 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.923 1.227 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.316 2.480 6.964 1.00 0.00 H new ATOM 0 HE21 GLN A 80 11.182 3.347 7.408 1.00 0.00 H new ATOM 0 HE22 GLN A 80 11.773 3.837 8.999 1.00 0.00 H new ATOM 1226 N PRO A 81 4.521 3.338 7.682 1.00 0.00 N ATOM 1227 CA PRO A 81 3.131 3.093 8.026 1.00 0.00 C ATOM 1228 C PRO A 81 2.265 2.990 6.769 1.00 0.00 C ATOM 1229 O PRO A 81 1.193 2.386 6.797 1.00 0.00 O ATOM 1230 CB PRO A 81 2.737 4.253 8.925 1.00 0.00 C ATOM 1231 CG PRO A 81 3.769 5.342 8.677 1.00 0.00 C ATOM 1232 CD PRO A 81 4.935 4.717 7.928 1.00 0.00 C ATOM 0 HA PRO A 81 2.986 2.142 8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.733 4.606 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.732 3.951 9.972 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.334 6.155 8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.107 5.770 9.621 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.134 5.243 6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.851 4.756 8.517 1.00 0.00 H new ATOM 1240 N TYR A 82 2.761 3.588 5.696 1.00 0.00 N ATOM 1241 CA TYR A 82 2.046 3.572 4.431 1.00 0.00 C ATOM 1242 C TYR A 82 2.197 2.218 3.734 1.00 0.00 C ATOM 1243 O TYR A 82 1.208 1.621 3.310 1.00 0.00 O ATOM 1244 CB TYR A 82 2.695 4.653 3.566 1.00 0.00 C ATOM 1245 CG TYR A 82 2.302 6.080 3.953 1.00 0.00 C ATOM 1246 CD1 TYR A 82 2.495 6.523 5.246 1.00 0.00 C ATOM 1247 CD2 TYR A 82 1.753 6.924 3.009 1.00 0.00 C ATOM 1248 CE1 TYR A 82 2.125 7.865 5.610 1.00 0.00 C ATOM 1249 CE2 TYR A 82 1.383 8.267 3.374 1.00 0.00 C ATOM 1250 CZ TYR A 82 1.587 8.672 4.656 1.00 0.00 C ATOM 1251 OH TYR A 82 1.237 9.940 5.000 1.00 0.00 O ATOM 0 H TYR A 82 3.650 4.087 5.676 1.00 0.00 H new ATOM 0 HA TYR A 82 0.982 3.747 4.589 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.779 4.555 3.633 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.423 4.482 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.924 5.862 5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.601 6.578 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.271 8.224 6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.953 8.938 2.645 1.00 0.00 H new ATOM 0 HH TYR A 82 1.964 10.555 4.767 1.00 0.00 H new ATOM 1261 N ILE A 83 3.441 1.774 3.637 1.00 0.00 N ATOM 1262 CA ILE A 83 3.734 0.502 2.999 1.00 0.00 C ATOM 1263 C ILE A 83 3.189 -0.636 3.865 1.00 0.00 C ATOM 1264 O ILE A 83 2.820 -1.690 3.350 1.00 0.00 O ATOM 1265 CB ILE A 83 5.229 0.384 2.699 1.00 0.00 C ATOM 1266 CG1 ILE A 83 5.514 -0.813 1.790 1.00 0.00 C ATOM 1267 CG2 ILE A 83 6.045 0.328 3.992 1.00 0.00 C ATOM 1268 CD1 ILE A 83 4.927 -0.593 0.394 1.00 0.00 C ATOM 0 H ILE A 83 4.258 2.272 3.990 1.00 0.00 H new ATOM 0 HA ILE A 83 3.233 0.437 2.033 1.00 0.00 H new ATOM 0 HB ILE A 83 5.540 1.279 2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.590 -0.970 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.090 -1.716 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 83 7.105 0.244 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.875 1.237 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.737 -0.537 4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.144 -1.458 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.848 -0.461 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.371 0.297 -0.051 1.00 0.00 H new ATOM 1280 N THR A 84 3.156 -0.384 5.165 1.00 0.00 N ATOM 1281 CA THR A 84 2.662 -1.374 6.107 1.00 0.00 C ATOM 1282 C THR A 84 1.211 -1.737 5.787 1.00 0.00 C ATOM 1283 O THR A 84 0.879 -2.913 5.643 1.00 0.00 O ATOM 1284 CB THR A 84 2.852 -0.818 7.520 1.00 0.00 C ATOM 1285 OG1 THR A 84 4.247 -0.969 7.768 1.00 0.00 O ATOM 1286 CG2 THR A 84 2.187 -1.690 8.587 1.00 0.00 C ATOM 0 H THR A 84 3.463 0.492 5.588 1.00 0.00 H new ATOM 0 HA THR A 84 3.222 -2.306 6.031 1.00 0.00 H new ATOM 0 HB THR A 84 2.444 0.191 7.570 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.754 -0.426 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.352 -1.251 9.571 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.116 -1.751 8.392 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.618 -2.691 8.560 1.00 0.00 H new ATOM 1294 N VAL A 85 0.385 -0.706 5.686 1.00 0.00 N ATOM 1295 CA VAL A 85 -1.024 -0.902 5.387 1.00 0.00 C ATOM 1296 C VAL A 85 -1.158 -1.720 4.100 1.00 0.00 C ATOM 1297 O VAL A 85 -1.953 -2.655 4.036 1.00 0.00 O ATOM 1298 CB VAL A 85 -1.736 0.450 5.312 1.00 0.00 C ATOM 1299 CG1 VAL A 85 -3.158 0.292 4.770 1.00 0.00 C ATOM 1300 CG2 VAL A 85 -1.744 1.141 6.677 1.00 0.00 C ATOM 0 H VAL A 85 0.664 0.268 5.806 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.509 -1.466 6.184 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.182 1.082 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.642 1.268 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.120 -0.139 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.727 -0.366 5.427 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.256 2.100 6.596 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.263 0.512 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.718 1.304 7.008 1.00 0.00 H new ATOM 1310 N TRP A 86 -0.367 -1.336 3.108 1.00 0.00 N ATOM 1311 CA TRP A 86 -0.388 -2.022 1.828 1.00 0.00 C ATOM 1312 C TRP A 86 -0.181 -3.516 2.088 1.00 0.00 C ATOM 1313 O TRP A 86 -0.789 -4.355 1.425 1.00 0.00 O ATOM 1314 CB TRP A 86 0.652 -1.432 0.873 1.00 0.00 C ATOM 1315 CG TRP A 86 0.127 -0.277 0.018 1.00 0.00 C ATOM 1316 CD1 TRP A 86 0.067 1.024 0.336 1.00 0.00 C ATOM 1317 CD2 TRP A 86 -0.413 -0.371 -1.317 1.00 0.00 C ATOM 1318 NE1 TRP A 86 -0.470 1.771 -0.692 1.00 0.00 N ATOM 1319 CE2 TRP A 86 -0.771 0.896 -1.730 1.00 0.00 C ATOM 1320 CE3 TRP A 86 -0.592 -1.490 -2.149 1.00 0.00 C ATOM 1321 CZ2 TRP A 86 -1.330 1.164 -2.985 1.00 0.00 C ATOM 1322 CZ3 TRP A 86 -1.153 -1.205 -3.400 1.00 0.00 C ATOM 1323 CH2 TRP A 86 -1.518 0.065 -3.830 1.00 0.00 C ATOM 0 H TRP A 86 0.292 -0.559 3.165 1.00 0.00 H new ATOM 0 HA TRP A 86 -1.349 -1.885 1.333 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.506 -1.082 1.453 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.015 -2.221 0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.397 1.435 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.619 2.780 -0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.318 -2.490 -1.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.602 2.165 -3.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.313 -2.030 -4.078 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -1.945 0.203 -4.812 1.00 0.00 H new ATOM 1334 N GLN A 87 0.679 -3.802 3.054 1.00 0.00 N ATOM 1335 CA GLN A 87 0.974 -5.180 3.410 1.00 0.00 C ATOM 1336 C GLN A 87 -0.237 -5.823 4.088 1.00 0.00 C ATOM 1337 O GLN A 87 -0.566 -6.976 3.814 1.00 0.00 O ATOM 1338 CB GLN A 87 2.211 -5.262 4.306 1.00 0.00 C ATOM 1339 CG GLN A 87 2.770 -6.686 4.340 1.00 0.00 C ATOM 1340 CD GLN A 87 3.411 -6.991 5.695 1.00 0.00 C ATOM 1341 OE1 GLN A 87 4.039 -6.151 6.317 1.00 0.00 O ATOM 1342 NE2 GLN A 87 3.217 -8.238 6.116 1.00 0.00 N ATOM 0 H GLN A 87 1.181 -3.103 3.602 1.00 0.00 H new ATOM 0 HA GLN A 87 1.191 -5.733 2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.975 -4.576 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.954 -4.944 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.970 -7.399 4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 87 3.509 -6.810 3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.681 -8.891 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.605 -8.541 7.010 1.00 0.00 H new ATOM 1351 N ASP A 88 -0.868 -5.050 4.960 1.00 0.00 N ATOM 1352 CA ASP A 88 -2.036 -5.531 5.679 1.00 0.00 C ATOM 1353 C ASP A 88 -3.165 -5.806 4.683 1.00 0.00 C ATOM 1354 O ASP A 88 -3.919 -6.764 4.844 1.00 0.00 O ATOM 1355 CB ASP A 88 -2.533 -4.487 6.681 1.00 0.00 C ATOM 1356 CG ASP A 88 -3.039 -5.056 8.008 1.00 0.00 C ATOM 1357 OD1 ASP A 88 -2.176 -5.385 8.850 1.00 0.00 O ATOM 1358 OD2 ASP A 88 -4.278 -5.148 8.151 1.00 0.00 O ATOM 0 H ASP A 88 -0.593 -4.094 5.185 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.754 -6.438 6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.722 -3.789 6.888 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.337 -3.914 6.218 1.00 0.00 H new ATOM 1363 N LEU A 89 -3.245 -4.948 3.676 1.00 0.00 N ATOM 1364 CA LEU A 89 -4.269 -5.087 2.655 1.00 0.00 C ATOM 1365 C LEU A 89 -4.166 -6.476 2.021 1.00 0.00 C ATOM 1366 O LEU A 89 -5.145 -7.219 1.984 1.00 0.00 O ATOM 1367 CB LEU A 89 -4.177 -3.942 1.645 1.00 0.00 C ATOM 1368 CG LEU A 89 -4.833 -2.624 2.064 1.00 0.00 C ATOM 1369 CD1 LEU A 89 -4.114 -1.429 1.435 1.00 0.00 C ATOM 1370 CD2 LEU A 89 -6.328 -2.629 1.739 1.00 0.00 C ATOM 0 H LEU A 89 -2.617 -4.154 3.546 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.262 -5.011 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.124 -3.751 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.632 -4.271 0.711 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.738 -2.524 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.600 -0.505 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.073 -1.419 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.156 -1.510 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.770 -1.681 2.047 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.467 -2.763 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.814 -3.446 2.272 1.00 0.00 H new ATOM 1382 N VAL A 90 -2.971 -6.783 1.538 1.00 0.00 N ATOM 1383 CA VAL A 90 -2.727 -8.069 0.907 1.00 0.00 C ATOM 1384 C VAL A 90 -3.223 -9.186 1.828 1.00 0.00 C ATOM 1385 O VAL A 90 -4.161 -9.905 1.488 1.00 0.00 O ATOM 1386 CB VAL A 90 -1.246 -8.204 0.548 1.00 0.00 C ATOM 1387 CG1 VAL A 90 -0.940 -9.598 -0.004 1.00 0.00 C ATOM 1388 CG2 VAL A 90 -0.821 -7.117 -0.441 1.00 0.00 C ATOM 0 H VAL A 90 -2.161 -6.163 1.571 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.282 -8.147 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.666 -8.071 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.119 -9.667 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.187 -10.349 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.534 -9.773 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.236 -7.235 -0.680 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.411 -7.204 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.985 -6.136 0.004 1.00 0.00 H new ATOM 1398 N GLN A 91 -2.570 -9.297 2.975 1.00 0.00 N ATOM 1399 CA GLN A 91 -2.933 -10.314 3.948 1.00 0.00 C ATOM 1400 C GLN A 91 -4.454 -10.453 4.028 1.00 0.00 C ATOM 1401 O GLN A 91 -5.010 -11.477 3.634 1.00 0.00 O ATOM 1402 CB GLN A 91 -2.338 -9.997 5.321 1.00 0.00 C ATOM 1403 CG GLN A 91 -0.890 -10.483 5.416 1.00 0.00 C ATOM 1404 CD GLN A 91 -0.357 -10.341 6.844 1.00 0.00 C ATOM 1405 OE1 GLN A 91 -1.085 -10.058 7.781 1.00 0.00 O ATOM 1406 NE2 GLN A 91 0.951 -10.552 6.956 1.00 0.00 N ATOM 0 H GLN A 91 -1.791 -8.700 3.253 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.518 -11.267 3.620 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.377 -8.922 5.499 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -2.936 -10.471 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -0.831 -11.526 5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.264 -9.910 4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.502 -10.786 6.130 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.403 -10.480 7.868 1.00 0.00 H new ATOM 1415 N ASN A 92 -5.085 -9.407 4.542 1.00 0.00 N ATOM 1416 CA ASN A 92 -6.532 -9.399 4.680 1.00 0.00 C ATOM 1417 C ASN A 92 -7.158 -8.820 3.409 1.00 0.00 C ATOM 1418 O ASN A 92 -7.672 -7.703 3.420 1.00 0.00 O ATOM 1419 CB ASN A 92 -6.968 -8.530 5.860 1.00 0.00 C ATOM 1420 CG ASN A 92 -6.935 -9.324 7.168 1.00 0.00 C ATOM 1421 OD1 ASN A 92 -7.792 -10.145 7.448 1.00 0.00 O ATOM 1422 ND2 ASN A 92 -5.899 -9.034 7.950 1.00 0.00 N ATOM 0 H ASN A 92 -4.621 -8.559 4.868 1.00 0.00 H new ATOM 0 HA ASN A 92 -6.860 -10.425 4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.312 -7.663 5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.975 -8.152 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.786 -9.510 8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.217 -8.335 7.655 1.00 0.00 H new ATOM 1429 N SER A 93 -7.093 -9.607 2.345 1.00 0.00 N ATOM 1430 CA SER A 93 -7.647 -9.186 1.069 1.00 0.00 C ATOM 1431 C SER A 93 -9.119 -8.804 1.238 1.00 0.00 C ATOM 1432 O SER A 93 -9.953 -9.654 1.548 1.00 0.00 O ATOM 1433 CB SER A 93 -7.501 -10.286 0.016 1.00 0.00 C ATOM 1434 OG SER A 93 -8.448 -11.334 0.204 1.00 0.00 O ATOM 0 H SER A 93 -6.666 -10.533 2.340 1.00 0.00 H new ATOM 0 HA SER A 93 -7.090 -8.315 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.629 -9.856 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.492 -10.697 0.058 1.00 0.00 H new ATOM 0 HG SER A 93 -9.009 -11.133 0.982 1.00 0.00 H new ATOM 1440 N PRO A 94 -9.401 -7.492 1.020 1.00 0.00 N ATOM 1441 CA PRO A 94 -10.758 -6.987 1.145 1.00 0.00 C ATOM 1442 C PRO A 94 -11.611 -7.406 -0.055 1.00 0.00 C ATOM 1443 O PRO A 94 -11.081 -7.826 -1.082 1.00 0.00 O ATOM 1444 CB PRO A 94 -10.607 -5.480 1.270 1.00 0.00 C ATOM 1445 CG PRO A 94 -9.218 -5.155 0.746 1.00 0.00 C ATOM 1446 CD PRO A 94 -8.440 -6.457 0.650 1.00 0.00 C ATOM 0 HA PRO A 94 -11.281 -7.394 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.373 -4.962 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.718 -5.161 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -9.281 -4.675 -0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -8.712 -4.456 1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.056 -6.615 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.581 -6.456 1.322 1.00 0.00 H new ATOM 1454 N PRO A 95 -12.953 -7.272 0.120 1.00 0.00 N ATOM 1455 CA PRO A 95 -13.885 -7.631 -0.936 1.00 0.00 C ATOM 1456 C PRO A 95 -13.889 -6.577 -2.045 1.00 0.00 C ATOM 1457 O PRO A 95 -14.251 -6.870 -3.183 1.00 0.00 O ATOM 1458 CB PRO A 95 -15.230 -7.770 -0.243 1.00 0.00 C ATOM 1459 CG PRO A 95 -15.095 -7.034 1.081 1.00 0.00 C ATOM 1460 CD PRO A 95 -13.617 -6.778 1.323 1.00 0.00 C ATOM 0 HA PRO A 95 -13.614 -8.559 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.028 -7.341 -0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.480 -8.819 -0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.646 -6.094 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.518 -7.627 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.419 -5.717 1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.265 -7.301 2.212 1.00 0.00 H new ATOM 1468 N TRP A 96 -13.483 -5.372 -1.674 1.00 0.00 N ATOM 1469 CA TRP A 96 -13.436 -4.273 -2.623 1.00 0.00 C ATOM 1470 C TRP A 96 -12.154 -4.415 -3.447 1.00 0.00 C ATOM 1471 O TRP A 96 -11.975 -3.720 -4.446 1.00 0.00 O ATOM 1472 CB TRP A 96 -13.540 -2.925 -1.907 1.00 0.00 C ATOM 1473 CG TRP A 96 -12.506 -2.729 -0.796 1.00 0.00 C ATOM 1474 CD1 TRP A 96 -12.632 -3.014 0.508 1.00 0.00 C ATOM 1475 CD2 TRP A 96 -11.175 -2.191 -0.944 1.00 0.00 C ATOM 1476 NE1 TRP A 96 -11.484 -2.700 1.207 1.00 0.00 N ATOM 1477 CE2 TRP A 96 -10.571 -2.183 0.296 1.00 0.00 C ATOM 1478 CE3 TRP A 96 -10.505 -1.725 -2.089 1.00 0.00 C ATOM 1479 CZ2 TRP A 96 -9.267 -1.721 0.510 1.00 0.00 C ATOM 1480 CZ3 TRP A 96 -9.203 -1.266 -1.858 1.00 0.00 C ATOM 1481 CH2 TRP A 96 -8.579 -1.252 -0.616 1.00 0.00 C ATOM 0 H TRP A 96 -13.183 -5.132 -0.729 1.00 0.00 H new ATOM 0 HA TRP A 96 -14.291 -4.310 -3.299 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -13.427 -2.126 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -14.539 -2.827 -1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -13.520 -3.436 0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -11.334 -2.825 2.208 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -10.959 -1.722 -3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.816 -1.726 1.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -8.644 -0.897 -2.705 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.569 -0.881 -0.520 1.00 0.00 H new ATOM 1492 N ILE A 97 -11.296 -5.319 -2.997 1.00 0.00 N ATOM 1493 CA ILE A 97 -10.037 -5.561 -3.681 1.00 0.00 C ATOM 1494 C ILE A 97 -10.161 -6.822 -4.537 1.00 0.00 C ATOM 1495 O ILE A 97 -10.021 -6.764 -5.758 1.00 0.00 O ATOM 1496 CB ILE A 97 -8.884 -5.609 -2.677 1.00 0.00 C ATOM 1497 CG1 ILE A 97 -8.326 -4.209 -2.414 1.00 0.00 C ATOM 1498 CG2 ILE A 97 -7.796 -6.582 -3.138 1.00 0.00 C ATOM 1499 CD1 ILE A 97 -7.065 -4.274 -1.551 1.00 0.00 C ATOM 0 H ILE A 97 -11.448 -5.893 -2.167 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.806 -4.738 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 97 -9.272 -5.984 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.098 -3.721 -3.361 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.081 -3.601 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.988 -6.597 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.219 -7.582 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.405 -6.260 -4.103 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.689 -3.265 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.302 -4.740 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.304 -4.863 -2.063 1.00 0.00 H new ATOM 1511 N LYS A 98 -10.421 -7.933 -3.863 1.00 0.00 N ATOM 1512 CA LYS A 98 -10.564 -9.207 -4.548 1.00 0.00 C ATOM 1513 C LYS A 98 -12.025 -9.658 -4.475 1.00 0.00 C ATOM 1514 O LYS A 98 -12.553 -9.891 -3.389 1.00 0.00 O ATOM 1515 CB LYS A 98 -9.576 -10.231 -3.986 1.00 0.00 C ATOM 1516 CG LYS A 98 -8.173 -10.008 -4.554 1.00 0.00 C ATOM 1517 CD LYS A 98 -7.823 -11.081 -5.588 1.00 0.00 C ATOM 1518 CE LYS A 98 -7.858 -10.507 -7.006 1.00 0.00 C ATOM 1519 NZ LYS A 98 -6.565 -10.734 -7.689 1.00 0.00 N ATOM 0 H LYS A 98 -10.536 -7.977 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 98 -10.314 -9.103 -5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.548 -10.156 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.914 -11.239 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.116 -9.022 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.442 -10.025 -3.745 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.832 -11.483 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.526 -11.910 -5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.663 -10.974 -7.574 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.073 -9.439 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.606 -10.338 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.804 -10.268 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.375 -11.755 -7.743 1.00 0.00 H new ATOM 1533 N SER A 99 -12.635 -9.768 -5.646 1.00 0.00 N ATOM 1534 CA SER A 99 -14.024 -10.186 -5.729 1.00 0.00 C ATOM 1535 C SER A 99 -14.111 -11.595 -6.319 1.00 0.00 C ATOM 1536 O SER A 99 -13.443 -11.901 -7.306 1.00 0.00 O ATOM 1537 CB SER A 99 -14.845 -9.207 -6.570 1.00 0.00 C ATOM 1538 OG SER A 99 -16.218 -9.582 -6.638 1.00 0.00 O ATOM 0 H SER A 99 -12.193 -9.575 -6.545 1.00 0.00 H new ATOM 0 HA SER A 99 -14.440 -10.194 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.763 -8.207 -6.145 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.432 -9.160 -7.578 1.00 0.00 H new ATOM 0 HG SER A 99 -16.708 -8.931 -7.182 1.00 0.00 H new ATOM 1544 N GLY A 100 -14.940 -12.416 -5.690 1.00 0.00 N ATOM 1545 CA GLY A 100 -15.123 -13.785 -6.141 1.00 0.00 C ATOM 1546 C GLY A 100 -16.345 -14.422 -5.475 1.00 0.00 C ATOM 1547 O GLY A 100 -16.827 -13.932 -4.455 1.00 0.00 O ATOM 0 H GLY A 100 -15.492 -12.159 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -15.244 -13.802 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.232 -14.370 -5.911 1.00 0.00 H new ATOM 1551 N PRO A 101 -16.823 -15.534 -6.096 1.00 0.00 N ATOM 1552 CA PRO A 101 -17.978 -16.244 -5.574 1.00 0.00 C ATOM 1553 C PRO A 101 -17.609 -17.055 -4.330 1.00 0.00 C ATOM 1554 O PRO A 101 -18.303 -16.995 -3.317 1.00 0.00 O ATOM 1555 CB PRO A 101 -18.461 -17.110 -6.726 1.00 0.00 C ATOM 1556 CG PRO A 101 -17.292 -17.206 -7.693 1.00 0.00 C ATOM 1557 CD PRO A 101 -16.277 -16.143 -7.305 1.00 0.00 C ATOM 0 HA PRO A 101 -18.768 -15.572 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.759 -18.098 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -19.332 -16.667 -7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.842 -18.198 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -17.631 -17.054 -8.718 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -15.296 -16.581 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -16.152 -15.406 -8.098 1.00 0.00 H new ATOM 1565 N SER A 102 -16.515 -17.794 -4.448 1.00 0.00 N ATOM 1566 CA SER A 102 -16.045 -18.615 -3.346 1.00 0.00 C ATOM 1567 C SER A 102 -17.080 -19.694 -3.019 1.00 0.00 C ATOM 1568 O SER A 102 -17.882 -19.531 -2.101 1.00 0.00 O ATOM 1569 CB SER A 102 -15.756 -17.764 -2.108 1.00 0.00 C ATOM 1570 OG SER A 102 -14.445 -17.206 -2.138 1.00 0.00 O ATOM 0 H SER A 102 -15.941 -17.841 -5.290 1.00 0.00 H new ATOM 0 HA SER A 102 -15.114 -19.093 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.490 -16.961 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 102 -15.869 -18.376 -1.213 1.00 0.00 H new ATOM 0 HG SER A 102 -14.300 -16.668 -1.332 1.00 0.00 H new ATOM 1576 N SER A 103 -17.027 -20.772 -3.787 1.00 0.00 N ATOM 1577 CA SER A 103 -17.949 -21.877 -3.590 1.00 0.00 C ATOM 1578 C SER A 103 -17.751 -22.484 -2.200 1.00 0.00 C ATOM 1579 O SER A 103 -16.733 -23.123 -1.937 1.00 0.00 O ATOM 1580 CB SER A 103 -17.765 -22.948 -4.668 1.00 0.00 C ATOM 1581 OG SER A 103 -16.546 -23.667 -4.502 1.00 0.00 O ATOM 0 H SER A 103 -16.360 -20.904 -4.547 1.00 0.00 H new ATOM 0 HA SER A 103 -18.965 -21.491 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 103 -18.604 -23.643 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 103 -17.778 -22.479 -5.652 1.00 0.00 H new ATOM 0 HG SER A 103 -16.199 -23.518 -3.598 1.00 0.00 H new ATOM 1587 N GLY A 104 -18.739 -22.262 -1.346 1.00 0.00 N ATOM 1588 CA GLY A 104 -18.685 -22.778 0.011 1.00 0.00 C ATOM 1589 C GLY A 104 -18.233 -21.695 0.993 1.00 0.00 C ATOM 1590 O GLY A 104 -19.041 -21.167 1.756 1.00 0.00 O ATOM 0 H GLY A 104 -19.582 -21.732 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -19.667 -23.150 0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -17.998 -23.623 0.055 1.00 0.00 H new TER 1594 GLY A 104