USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 163:sc= 0.872 (180deg=0.23!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0587 USER MOD Single : A 7 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.45) USER MOD Single : A 8 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.88) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.402! C(o=-4.8!,f=-0.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0839 USER MOD Single : A 23 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.8!) USER MOD Single : A 28 SER OG : rot 116:sc= 1.43 USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.0819 (180deg=-0.726) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 40 THR OG1 : rot -91:sc= 1.13 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.52 K(o=-1.5,f=-4.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 14.088 10.804 -15.959 1.00 17.34 N ATOM 2 CA TYR A 1 14.681 11.155 -14.636 1.00 15.90 C ATOM 3 C TYR A 1 13.730 12.094 -13.885 1.00 16.02 C ATOM 4 O TYR A 1 13.028 12.882 -14.487 1.00 17.18 O ATOM 5 CB TYR A 1 16.031 11.847 -14.816 1.00 15.75 C ATOM 6 CG TYR A 1 16.148 12.365 -16.251 1.00 16.90 C ATOM 7 CD1 TYR A 1 16.371 11.489 -17.295 1.00 16.95 C ATOM 8 CD2 TYR A 1 16.032 13.713 -16.521 1.00 18.02 C ATOM 9 CE1 TYR A 1 16.476 11.957 -18.590 1.00 18.04 C ATOM 10 CE2 TYR A 1 16.138 14.180 -17.816 1.00 19.06 C ATOM 11 CZ TYR A 1 16.360 13.306 -18.860 1.00 19.05 C ATOM 12 OH TYR A 1 16.465 13.772 -20.154 1.00 20.13 O ATOM 0 H1 TYR A 1 14.828 10.418 -16.579 1.00 17.34 H new ATOM 0 H2 TYR A 1 13.341 10.093 -15.827 1.00 17.34 H new ATOM 0 H3 TYR A 1 13.682 11.657 -16.394 1.00 17.34 H new ATOM 0 HA TYR A 1 14.829 10.237 -14.067 1.00 15.90 H new ATOM 0 HB2 TYR A 1 16.126 12.673 -14.111 1.00 15.75 H new ATOM 0 HB3 TYR A 1 16.841 11.150 -14.602 1.00 15.75 H new ATOM 0 HD1 TYR A 1 16.464 10.431 -17.097 1.00 16.95 H new ATOM 0 HD2 TYR A 1 15.857 14.408 -15.713 1.00 18.02 H new ATOM 0 HE1 TYR A 1 16.650 11.262 -19.398 1.00 18.04 H new ATOM 0 HE2 TYR A 1 16.046 15.238 -18.013 1.00 19.06 H new ATOM 0 HH TYR A 1 16.357 14.746 -20.161 1.00 20.13 H new ATOM 24 N ALA A 2 13.729 11.988 -12.585 1.00 14.88 N ATOM 25 CA ALA A 2 12.830 12.866 -11.779 1.00 15.05 C ATOM 26 C ALA A 2 13.019 14.331 -12.187 1.00 15.88 C ATOM 27 O ALA A 2 13.783 14.637 -13.081 1.00 16.30 O ATOM 28 CB ALA A 2 13.167 12.701 -10.299 1.00 13.75 C ATOM 0 H ALA A 2 14.305 11.339 -12.049 1.00 14.88 H new ATOM 0 HA ALA A 2 11.793 12.581 -11.958 1.00 15.05 H new ATOM 0 HB1 ALA A 2 12.514 13.340 -9.704 1.00 13.75 H new ATOM 0 HB2 ALA A 2 13.022 11.661 -10.007 1.00 13.75 H new ATOM 0 HB3 ALA A 2 14.206 12.985 -10.129 1.00 13.75 H new ATOM 34 N SER A 3 12.318 15.206 -11.519 1.00 16.20 N ATOM 35 CA SER A 3 12.444 16.655 -11.854 1.00 17.13 C ATOM 36 C SER A 3 13.487 17.317 -10.948 1.00 16.23 C ATOM 37 O SER A 3 13.744 16.858 -9.854 1.00 15.02 O ATOM 38 CB SER A 3 11.090 17.333 -11.653 1.00 18.40 C ATOM 39 OG SER A 3 10.190 16.256 -11.433 1.00 18.38 O ATOM 0 H SER A 3 11.670 14.985 -10.763 1.00 16.20 H new ATOM 0 HA SER A 3 12.762 16.759 -12.892 1.00 17.13 H new ATOM 0 HB2 SER A 3 11.109 18.016 -10.804 1.00 18.40 H new ATOM 0 HB3 SER A 3 10.804 17.919 -12.527 1.00 18.40 H new ATOM 0 HG SER A 3 9.287 16.608 -11.291 1.00 18.38 H new ATOM 45 N LEU A 4 14.064 18.386 -11.426 1.00 16.96 N ATOM 46 CA LEU A 4 15.091 19.090 -10.604 1.00 16.46 C ATOM 47 C LEU A 4 14.598 19.244 -9.161 1.00 15.96 C ATOM 48 O LEU A 4 15.142 18.653 -8.250 1.00 14.74 O ATOM 49 CB LEU A 4 15.348 20.472 -11.204 1.00 17.80 C ATOM 50 CG LEU A 4 15.515 20.339 -12.720 1.00 18.36 C ATOM 51 CD1 LEU A 4 14.246 20.840 -13.411 1.00 19.48 C ATOM 52 CD2 LEU A 4 16.704 21.190 -13.172 1.00 18.95 C ATOM 0 H LEU A 4 13.872 18.799 -12.339 1.00 16.96 H new ATOM 0 HA LEU A 4 16.012 18.507 -10.602 1.00 16.46 H new ATOM 0 HB2 LEU A 4 14.519 21.141 -10.975 1.00 17.80 H new ATOM 0 HB3 LEU A 4 16.243 20.912 -10.765 1.00 17.80 H new ATOM 0 HG LEU A 4 15.689 19.295 -12.981 1.00 18.36 H new ATOM 0 HD11 LEU A 4 14.359 20.748 -14.491 1.00 19.48 H new ATOM 0 HD12 LEU A 4 13.394 20.244 -13.083 1.00 19.48 H new ATOM 0 HD13 LEU A 4 14.079 21.885 -13.152 1.00 19.48 H new ATOM 0 HD21 LEU A 4 16.827 21.099 -14.251 1.00 18.95 H new ATOM 0 HD22 LEU A 4 16.523 22.234 -12.914 1.00 18.95 H new ATOM 0 HD23 LEU A 4 17.609 20.845 -12.673 1.00 18.95 H new ATOM 64 N GLU A 5 13.575 20.036 -8.986 1.00 16.99 N ATOM 65 CA GLU A 5 13.032 20.242 -7.610 1.00 16.67 C ATOM 66 C GLU A 5 12.142 19.059 -7.209 1.00 15.79 C ATOM 67 O GLU A 5 11.479 18.469 -8.039 1.00 15.89 O ATOM 68 CB GLU A 5 12.209 21.529 -7.585 1.00 18.19 C ATOM 69 CG GLU A 5 11.256 21.540 -8.783 1.00 18.74 C ATOM 70 CD GLU A 5 9.873 22.009 -8.327 1.00 19.54 C ATOM 71 OE1 GLU A 5 9.842 23.027 -7.654 1.00 20.23 O ATOM 72 OE2 GLU A 5 8.927 21.324 -8.676 1.00 19.50 O ATOM 0 H GLU A 5 13.095 20.546 -9.728 1.00 16.99 H new ATOM 0 HA GLU A 5 13.860 20.315 -6.905 1.00 16.67 H new ATOM 0 HB2 GLU A 5 11.644 21.596 -6.655 1.00 18.19 H new ATOM 0 HB3 GLU A 5 12.868 22.397 -7.621 1.00 18.19 H new ATOM 0 HG2 GLU A 5 11.639 22.202 -9.560 1.00 18.74 H new ATOM 0 HG3 GLU A 5 11.189 20.543 -9.218 1.00 18.74 H new ATOM 79 N GLU A 6 12.147 18.740 -5.943 1.00 15.03 N ATOM 80 CA GLU A 6 11.307 17.598 -5.473 1.00 14.18 C ATOM 81 C GLU A 6 10.780 17.873 -4.061 1.00 13.81 C ATOM 82 O GLU A 6 10.940 17.063 -3.171 1.00 12.78 O ATOM 83 CB GLU A 6 12.153 16.326 -5.458 1.00 12.92 C ATOM 84 CG GLU A 6 12.409 15.870 -6.896 1.00 13.06 C ATOM 85 CD GLU A 6 13.116 14.513 -6.875 1.00 11.74 C ATOM 86 OE1 GLU A 6 14.294 14.522 -6.558 1.00 11.06 O ATOM 87 OE2 GLU A 6 12.438 13.546 -7.178 1.00 11.57 O ATOM 0 H GLU A 6 12.689 19.213 -5.220 1.00 15.03 H new ATOM 0 HA GLU A 6 10.461 17.476 -6.149 1.00 14.18 H new ATOM 0 HB2 GLU A 6 13.099 16.511 -4.949 1.00 12.92 H new ATOM 0 HB3 GLU A 6 11.640 15.541 -4.902 1.00 12.92 H new ATOM 0 HG2 GLU A 6 11.467 15.794 -7.439 1.00 13.06 H new ATOM 0 HG3 GLU A 6 13.021 16.604 -7.420 1.00 13.06 H new ATOM 94 N GLN A 7 10.163 19.010 -3.887 1.00 14.71 N ATOM 95 CA GLN A 7 9.616 19.347 -2.537 1.00 14.52 C ATOM 96 C GLN A 7 8.800 18.173 -1.992 1.00 13.53 C ATOM 97 O GLN A 7 9.342 17.234 -1.446 1.00 12.43 O ATOM 98 CB GLN A 7 8.721 20.581 -2.654 1.00 15.72 C ATOM 99 CG GLN A 7 8.031 20.835 -1.309 1.00 16.29 C ATOM 100 CD GLN A 7 8.067 22.330 -0.994 1.00 17.53 C ATOM 101 OE1 GLN A 7 9.083 22.982 -1.133 1.00 17.68 O ATOM 102 NE2 GLN A 7 6.981 22.912 -0.566 1.00 18.53 N ATOM 0 H GLN A 7 10.014 19.714 -4.610 1.00 14.71 H new ATOM 0 HA GLN A 7 10.441 19.550 -1.854 1.00 14.52 H new ATOM 0 HB2 GLN A 7 9.314 21.449 -2.941 1.00 15.72 H new ATOM 0 HB3 GLN A 7 7.976 20.432 -3.436 1.00 15.72 H new ATOM 0 HG2 GLN A 7 7.000 20.485 -1.345 1.00 16.29 H new ATOM 0 HG3 GLN A 7 8.531 20.274 -0.520 1.00 16.29 H new ATOM 0 HE21 GLN A 7 6.125 22.370 -0.447 1.00 18.53 H new ATOM 0 HE22 GLN A 7 6.988 23.909 -0.350 1.00 18.53 H new ATOM 111 N ASN A 8 7.514 18.260 -2.146 1.00 14.01 N ATOM 112 CA ASN A 8 6.639 17.161 -1.646 1.00 13.15 C ATOM 113 C ASN A 8 6.967 15.853 -2.375 1.00 11.86 C ATOM 114 O ASN A 8 6.257 15.441 -3.271 1.00 12.06 O ATOM 115 CB ASN A 8 5.179 17.532 -1.896 1.00 14.15 C ATOM 116 CG ASN A 8 4.298 16.299 -1.682 1.00 13.62 C ATOM 117 OD1 ASN A 8 3.712 15.772 -2.607 1.00 13.76 O ATOM 118 ND2 ASN A 8 4.179 15.809 -0.479 1.00 13.23 N ATOM 0 H ASN A 8 7.029 19.038 -2.593 1.00 14.01 H new ATOM 0 HA ASN A 8 6.809 17.022 -0.578 1.00 13.15 H new ATOM 0 HB2 ASN A 8 4.875 18.332 -1.221 1.00 14.15 H new ATOM 0 HB3 ASN A 8 5.057 17.908 -2.912 1.00 14.15 H new ATOM 0 HD21 ASN A 8 3.596 14.987 -0.318 1.00 13.23 H new ATOM 0 HD22 ASN A 8 4.669 16.247 0.301 1.00 13.23 H new ATOM 125 N ASN A 9 8.041 15.229 -1.974 1.00 10.72 N ATOM 126 CA ASN A 9 8.435 13.949 -2.632 1.00 9.67 C ATOM 127 C ASN A 9 7.565 12.801 -2.113 1.00 8.64 C ATOM 128 O ASN A 9 7.968 12.059 -1.239 1.00 7.73 O ATOM 129 CB ASN A 9 9.901 13.657 -2.318 1.00 8.98 C ATOM 130 CG ASN A 9 10.230 14.163 -0.912 1.00 9.01 C ATOM 131 OD1 ASN A 9 9.271 14.251 -0.031 1.00 9.18 O flip ATOM 132 ND2 ASN A 9 11.360 14.484 -0.603 1.00 9.09 N flip ATOM 0 H ASN A 9 8.658 15.546 -1.226 1.00 10.72 H new ATOM 0 HA ASN A 9 8.296 14.040 -3.709 1.00 9.67 H new ATOM 0 HB2 ASN A 9 10.092 12.586 -2.385 1.00 8.98 H new ATOM 0 HB3 ASN A 9 10.545 14.142 -3.051 1.00 8.98 H new ATOM 0 HD21 ASN A 9 12.114 14.418 -1.287 1.00 9.09 H new ATOM 0 HD22 ASN A 9 11.555 14.820 0.340 1.00 9.09 H new ATOM 139 N ASP A 10 6.390 12.678 -2.667 1.00 8.88 N ATOM 140 CA ASP A 10 5.478 11.586 -2.218 1.00 7.97 C ATOM 141 C ASP A 10 4.688 11.035 -3.406 1.00 8.20 C ATOM 142 O ASP A 10 4.154 11.783 -4.202 1.00 9.47 O ATOM 143 CB ASP A 10 4.508 12.140 -1.176 1.00 8.39 C ATOM 144 CG ASP A 10 4.461 11.193 0.025 1.00 7.42 C ATOM 145 OD1 ASP A 10 4.426 10.000 -0.228 1.00 6.55 O ATOM 146 OD2 ASP A 10 4.462 11.716 1.128 1.00 7.84 O ATOM 0 H ASP A 10 6.024 13.280 -3.404 1.00 8.88 H new ATOM 0 HA ASP A 10 6.071 10.781 -1.784 1.00 7.97 H new ATOM 0 HB2 ASP A 10 4.826 13.133 -0.858 1.00 8.39 H new ATOM 0 HB3 ASP A 10 3.513 12.247 -1.609 1.00 8.39 H new ATOM 151 N ALA A 11 4.631 9.735 -3.503 1.00 7.06 N ATOM 152 CA ALA A 11 3.879 9.118 -4.631 1.00 7.45 C ATOM 153 C ALA A 11 3.458 7.689 -4.273 1.00 6.47 C ATOM 154 O ALA A 11 4.182 6.973 -3.610 1.00 6.07 O ATOM 155 CB ALA A 11 4.773 9.088 -5.870 1.00 7.65 C ATOM 0 H ALA A 11 5.068 9.079 -2.856 1.00 7.06 H new ATOM 0 HA ALA A 11 2.984 9.709 -4.829 1.00 7.45 H new ATOM 0 HB1 ALA A 11 4.229 8.637 -6.700 1.00 7.65 H new ATOM 0 HB2 ALA A 11 5.062 10.105 -6.135 1.00 7.65 H new ATOM 0 HB3 ALA A 11 5.666 8.500 -5.660 1.00 7.65 H new ATOM 161 N LEU A 12 2.296 7.308 -4.721 1.00 6.20 N ATOM 162 CA LEU A 12 1.810 5.930 -4.423 1.00 5.27 C ATOM 163 C LEU A 12 2.921 4.914 -4.707 1.00 4.79 C ATOM 164 O LEU A 12 3.946 5.256 -5.263 1.00 5.24 O ATOM 165 CB LEU A 12 0.601 5.627 -5.308 1.00 5.11 C ATOM 166 CG LEU A 12 -0.516 6.634 -5.001 1.00 5.62 C ATOM 167 CD1 LEU A 12 -1.322 6.899 -6.276 1.00 6.03 C ATOM 168 CD2 LEU A 12 -1.444 6.056 -3.929 1.00 5.23 C ATOM 0 H LEU A 12 1.664 7.885 -5.277 1.00 6.20 H new ATOM 0 HA LEU A 12 1.527 5.862 -3.373 1.00 5.27 H new ATOM 0 HB2 LEU A 12 0.881 5.687 -6.360 1.00 5.11 H new ATOM 0 HB3 LEU A 12 0.250 4.611 -5.129 1.00 5.11 H new ATOM 0 HG LEU A 12 -0.078 7.565 -4.641 1.00 5.62 H new ATOM 0 HD11 LEU A 12 -2.117 7.614 -6.062 1.00 6.03 H new ATOM 0 HD12 LEU A 12 -0.664 7.306 -7.044 1.00 6.03 H new ATOM 0 HD13 LEU A 12 -1.759 5.966 -6.630 1.00 6.03 H new ATOM 0 HD21 LEU A 12 -2.237 6.771 -3.711 1.00 5.23 H new ATOM 0 HD22 LEU A 12 -1.883 5.126 -4.291 1.00 5.23 H new ATOM 0 HD23 LEU A 12 -0.873 5.859 -3.021 1.00 5.23 H new ATOM 180 N SER A 13 2.700 3.687 -4.319 1.00 3.93 N ATOM 181 CA SER A 13 3.745 2.652 -4.569 1.00 3.50 C ATOM 182 C SER A 13 3.477 1.951 -5.928 1.00 3.00 C ATOM 183 O SER A 13 2.342 1.855 -6.352 1.00 2.89 O ATOM 184 CB SER A 13 3.695 1.615 -3.446 1.00 3.16 C ATOM 185 OG SER A 13 3.848 0.371 -4.114 1.00 3.07 O ATOM 0 H SER A 13 1.857 3.360 -3.848 1.00 3.93 H new ATOM 0 HA SER A 13 4.727 3.124 -4.598 1.00 3.50 H new ATOM 0 HB2 SER A 13 4.490 1.777 -2.719 1.00 3.16 H new ATOM 0 HB3 SER A 13 2.751 1.662 -2.902 1.00 3.16 H new ATOM 0 HG SER A 13 3.828 -0.357 -3.458 1.00 3.07 H new ATOM 191 N PRO A 14 4.530 1.472 -6.593 1.00 2.75 N ATOM 192 CA PRO A 14 4.366 0.782 -7.885 1.00 2.30 C ATOM 193 C PRO A 14 3.557 -0.511 -7.720 1.00 1.74 C ATOM 194 O PRO A 14 2.779 -0.875 -8.579 1.00 1.57 O ATOM 195 CB PRO A 14 5.789 0.445 -8.346 1.00 2.17 C ATOM 196 CG PRO A 14 6.754 0.822 -7.183 1.00 2.50 C ATOM 197 CD PRO A 14 5.929 1.584 -6.133 1.00 2.95 C ATOM 0 HA PRO A 14 3.830 1.405 -8.601 1.00 2.30 H new ATOM 0 HB2 PRO A 14 5.874 -0.614 -8.588 1.00 2.17 H new ATOM 0 HB3 PRO A 14 6.042 0.999 -9.250 1.00 2.17 H new ATOM 0 HG2 PRO A 14 7.198 -0.073 -6.747 1.00 2.50 H new ATOM 0 HG3 PRO A 14 7.574 1.439 -7.549 1.00 2.50 H new ATOM 0 HD2 PRO A 14 6.054 1.150 -5.141 1.00 2.95 H new ATOM 0 HD3 PRO A 14 6.241 2.626 -6.066 1.00 2.95 H new ATOM 205 N ALA A 15 3.760 -1.178 -6.615 1.00 1.59 N ATOM 206 CA ALA A 15 3.028 -2.459 -6.384 1.00 1.12 C ATOM 207 C ALA A 15 1.632 -2.197 -5.805 1.00 0.81 C ATOM 208 O ALA A 15 1.026 -3.078 -5.230 1.00 0.69 O ATOM 209 CB ALA A 15 3.828 -3.318 -5.407 1.00 1.41 C ATOM 0 H ALA A 15 4.395 -0.895 -5.868 1.00 1.59 H new ATOM 0 HA ALA A 15 2.913 -2.974 -7.338 1.00 1.12 H new ATOM 0 HB1 ALA A 15 3.301 -4.256 -5.232 1.00 1.41 H new ATOM 0 HB2 ALA A 15 4.812 -3.527 -5.828 1.00 1.41 H new ATOM 0 HB3 ALA A 15 3.943 -2.785 -4.463 1.00 1.41 H new ATOM 215 N ILE A 16 1.151 -0.997 -5.968 1.00 1.38 N ATOM 216 CA ILE A 16 -0.208 -0.681 -5.432 1.00 1.19 C ATOM 217 C ILE A 16 -1.275 -1.037 -6.470 1.00 1.04 C ATOM 218 O ILE A 16 -2.364 -1.450 -6.128 1.00 0.89 O ATOM 219 CB ILE A 16 -0.291 0.809 -5.104 1.00 1.61 C ATOM 220 CG1 ILE A 16 -1.509 1.054 -4.208 1.00 1.41 C ATOM 221 CG2 ILE A 16 -0.449 1.602 -6.401 1.00 1.98 C ATOM 222 CD1 ILE A 16 -1.589 2.543 -3.860 1.00 1.78 C ATOM 0 H ILE A 16 1.629 -0.230 -6.441 1.00 1.38 H new ATOM 0 HA ILE A 16 -0.381 -1.265 -4.528 1.00 1.19 H new ATOM 0 HB ILE A 16 0.616 1.127 -4.590 1.00 1.61 H new ATOM 0 HG12 ILE A 16 -2.419 0.738 -4.718 1.00 1.41 H new ATOM 0 HG13 ILE A 16 -1.431 0.460 -3.298 1.00 1.41 H new ATOM 0 HG21 ILE A 16 -0.509 2.666 -6.172 1.00 1.98 H new ATOM 0 HG22 ILE A 16 0.409 1.417 -7.047 1.00 1.98 H new ATOM 0 HG23 ILE A 16 -1.360 1.289 -6.910 1.00 1.98 H new ATOM 0 HD11 ILE A 16 -2.455 2.722 -3.222 1.00 1.78 H new ATOM 0 HD12 ILE A 16 -0.683 2.843 -3.334 1.00 1.78 H new ATOM 0 HD13 ILE A 16 -1.687 3.126 -4.776 1.00 1.78 H new ATOM 234 N ARG A 17 -0.938 -0.865 -7.719 1.00 1.29 N ATOM 235 CA ARG A 17 -1.919 -1.190 -8.793 1.00 1.32 C ATOM 236 C ARG A 17 -2.077 -2.708 -8.912 1.00 0.90 C ATOM 237 O ARG A 17 -3.155 -3.206 -9.169 1.00 1.03 O ATOM 238 CB ARG A 17 -1.416 -0.620 -10.118 1.00 1.72 C ATOM 239 CG ARG A 17 -1.200 0.888 -9.963 1.00 1.92 C ATOM 240 CD ARG A 17 -1.463 1.573 -11.305 1.00 2.64 C ATOM 241 NE ARG A 17 -2.903 1.415 -11.655 1.00 4.03 N ATOM 242 CZ ARG A 17 -3.408 2.129 -12.623 1.00 4.72 C ATOM 243 NH1 ARG A 17 -3.135 3.405 -12.674 1.00 4.42 N ATOM 244 NH2 ARG A 17 -4.170 1.545 -13.507 1.00 5.92 N ATOM 0 H ARG A 17 -0.035 -0.517 -8.040 1.00 1.29 H new ATOM 0 HA ARG A 17 -2.886 -0.752 -8.547 1.00 1.32 H new ATOM 0 HB2 ARG A 17 -0.484 -1.106 -10.407 1.00 1.72 H new ATOM 0 HB3 ARG A 17 -2.138 -0.817 -10.911 1.00 1.72 H new ATOM 0 HG2 ARG A 17 -1.868 1.287 -9.200 1.00 1.92 H new ATOM 0 HG3 ARG A 17 -0.181 1.090 -9.631 1.00 1.92 H new ATOM 0 HD2 ARG A 17 -1.204 2.630 -11.246 1.00 2.64 H new ATOM 0 HD3 ARG A 17 -0.836 1.134 -12.081 1.00 2.64 H new ATOM 0 HE ARG A 17 -3.488 0.755 -11.143 1.00 4.03 H new ATOM 0 HH11 ARG A 17 -2.536 3.827 -11.964 1.00 4.42 H new ATOM 0 HH12 ARG A 17 -3.521 3.979 -13.423 1.00 4.42 H new ATOM 0 HH21 ARG A 17 -4.362 0.546 -13.434 1.00 5.92 H new ATOM 0 HH22 ARG A 17 -4.573 2.088 -14.271 1.00 5.92 H new ATOM 258 N ARG A 18 -0.994 -3.413 -8.722 1.00 0.53 N ATOM 259 CA ARG A 18 -1.061 -4.901 -8.813 1.00 0.21 C ATOM 260 C ARG A 18 -1.778 -5.467 -7.584 1.00 0.12 C ATOM 261 O ARG A 18 -2.191 -6.610 -7.571 1.00 0.22 O ATOM 262 CB ARG A 18 0.358 -5.464 -8.882 1.00 0.31 C ATOM 263 CG ARG A 18 1.121 -4.768 -10.011 1.00 0.46 C ATOM 264 CD ARG A 18 1.724 -5.829 -10.935 1.00 0.56 C ATOM 265 NE ARG A 18 2.674 -6.671 -10.151 1.00 1.88 N ATOM 266 CZ ARG A 18 3.940 -6.352 -10.114 1.00 2.44 C ATOM 267 NH1 ARG A 18 4.519 -5.931 -11.205 1.00 2.15 N ATOM 268 NH2 ARG A 18 4.586 -6.468 -8.986 1.00 3.78 N ATOM 0 H ARG A 18 -0.074 -3.028 -8.510 1.00 0.53 H new ATOM 0 HA ARG A 18 -1.614 -5.185 -9.709 1.00 0.21 H new ATOM 0 HB2 ARG A 18 0.870 -5.310 -7.932 1.00 0.31 H new ATOM 0 HB3 ARG A 18 0.327 -6.539 -9.057 1.00 0.31 H new ATOM 0 HG2 ARG A 18 0.451 -4.117 -10.573 1.00 0.46 H new ATOM 0 HG3 ARG A 18 1.908 -4.136 -9.599 1.00 0.46 H new ATOM 0 HD2 ARG A 18 0.936 -6.449 -11.362 1.00 0.56 H new ATOM 0 HD3 ARG A 18 2.242 -5.353 -11.768 1.00 0.56 H new ATOM 0 HE ARG A 18 2.337 -7.491 -9.647 1.00 1.88 H new ATOM 0 HH11 ARG A 18 3.984 -5.855 -12.070 1.00 2.15 H new ATOM 0 HH12 ARG A 18 5.507 -5.678 -11.193 1.00 2.15 H new ATOM 0 HH21 ARG A 18 4.102 -6.803 -8.153 1.00 3.78 H new ATOM 0 HH22 ARG A 18 5.575 -6.224 -8.937 1.00 3.78 H new ATOM 282 N LEU A 19 -1.908 -4.649 -6.575 1.00 0.08 N ATOM 283 CA LEU A 19 -2.597 -5.112 -5.335 1.00 0.16 C ATOM 284 C LEU A 19 -4.077 -5.381 -5.624 1.00 0.09 C ATOM 285 O LEU A 19 -4.572 -6.465 -5.388 1.00 0.29 O ATOM 286 CB LEU A 19 -2.471 -4.025 -4.265 1.00 0.42 C ATOM 287 CG LEU A 19 -2.914 -4.589 -2.911 1.00 0.62 C ATOM 288 CD1 LEU A 19 -1.685 -5.079 -2.145 1.00 0.87 C ATOM 289 CD2 LEU A 19 -3.601 -3.484 -2.107 1.00 0.86 C ATOM 0 H LEU A 19 -1.570 -3.687 -6.554 1.00 0.08 H new ATOM 0 HA LEU A 19 -2.136 -6.035 -4.985 1.00 0.16 H new ATOM 0 HB2 LEU A 19 -1.440 -3.675 -4.206 1.00 0.42 H new ATOM 0 HB3 LEU A 19 -3.085 -3.164 -4.531 1.00 0.42 H new ATOM 0 HG LEU A 19 -3.606 -5.417 -3.065 1.00 0.62 H new ATOM 0 HD11 LEU A 19 -1.994 -5.482 -1.180 1.00 0.87 H new ATOM 0 HD12 LEU A 19 -1.185 -5.858 -2.720 1.00 0.87 H new ATOM 0 HD13 LEU A 19 -0.999 -4.247 -1.988 1.00 0.87 H new ATOM 0 HD21 LEU A 19 -3.918 -3.880 -1.142 1.00 0.86 H new ATOM 0 HD22 LEU A 19 -2.904 -2.661 -1.950 1.00 0.86 H new ATOM 0 HD23 LEU A 19 -4.471 -3.123 -2.655 1.00 0.86 H new ATOM 301 N LEU A 20 -4.752 -4.384 -6.130 1.00 0.27 N ATOM 302 CA LEU A 20 -6.200 -4.567 -6.443 1.00 0.37 C ATOM 303 C LEU A 20 -6.381 -5.708 -7.448 1.00 0.43 C ATOM 304 O LEU A 20 -7.356 -6.433 -7.401 1.00 0.62 O ATOM 305 CB LEU A 20 -6.751 -3.271 -7.036 1.00 0.53 C ATOM 306 CG LEU A 20 -6.668 -2.163 -5.982 1.00 0.42 C ATOM 307 CD1 LEU A 20 -6.433 -0.821 -6.679 1.00 0.55 C ATOM 308 CD2 LEU A 20 -7.985 -2.104 -5.207 1.00 0.43 C ATOM 0 H LEU A 20 -4.370 -3.461 -6.338 1.00 0.27 H new ATOM 0 HA LEU A 20 -6.738 -4.814 -5.528 1.00 0.37 H new ATOM 0 HB2 LEU A 20 -6.181 -2.991 -7.922 1.00 0.53 H new ATOM 0 HB3 LEU A 20 -7.784 -3.412 -7.353 1.00 0.53 H new ATOM 0 HG LEU A 20 -5.847 -2.370 -5.296 1.00 0.42 H new ATOM 0 HD11 LEU A 20 -6.373 -0.029 -5.933 1.00 0.55 H new ATOM 0 HD12 LEU A 20 -5.500 -0.861 -7.241 1.00 0.55 H new ATOM 0 HD13 LEU A 20 -7.258 -0.616 -7.361 1.00 0.55 H new ATOM 0 HD21 LEU A 20 -7.930 -1.316 -4.456 1.00 0.43 H new ATOM 0 HD22 LEU A 20 -8.803 -1.892 -5.895 1.00 0.43 H new ATOM 0 HD23 LEU A 20 -8.162 -3.061 -4.717 1.00 0.43 H new ATOM 320 N ALA A 21 -5.436 -5.845 -8.338 1.00 0.30 N ATOM 321 CA ALA A 21 -5.534 -6.934 -9.352 1.00 0.43 C ATOM 322 C ALA A 21 -5.331 -8.297 -8.681 1.00 0.48 C ATOM 323 O ALA A 21 -5.841 -9.299 -9.140 1.00 0.57 O ATOM 324 CB ALA A 21 -4.457 -6.725 -10.417 1.00 0.59 C ATOM 0 H ALA A 21 -4.607 -5.255 -8.407 1.00 0.30 H new ATOM 0 HA ALA A 21 -6.521 -6.910 -9.813 1.00 0.43 H new ATOM 0 HB1 ALA A 21 -4.523 -7.518 -11.162 1.00 0.59 H new ATOM 0 HB2 ALA A 21 -4.606 -5.760 -10.901 1.00 0.59 H new ATOM 0 HB3 ALA A 21 -3.473 -6.748 -9.949 1.00 0.59 H new ATOM 330 N GLU A 22 -4.590 -8.301 -7.607 1.00 0.48 N ATOM 331 CA GLU A 22 -4.346 -9.587 -6.892 1.00 0.58 C ATOM 332 C GLU A 22 -5.616 -10.031 -6.158 1.00 0.52 C ATOM 333 O GLU A 22 -5.974 -11.191 -6.178 1.00 0.50 O ATOM 334 CB GLU A 22 -3.213 -9.389 -5.884 1.00 0.63 C ATOM 335 CG GLU A 22 -2.533 -10.736 -5.618 1.00 0.63 C ATOM 336 CD GLU A 22 -3.564 -11.726 -5.073 1.00 2.05 C ATOM 337 OE1 GLU A 22 -4.326 -11.300 -4.220 1.00 3.21 O ATOM 338 OE2 GLU A 22 -3.532 -12.853 -5.539 1.00 2.78 O ATOM 0 H GLU A 22 -4.147 -7.479 -7.196 1.00 0.48 H new ATOM 0 HA GLU A 22 -4.071 -10.356 -7.614 1.00 0.58 H new ATOM 0 HB2 GLU A 22 -2.488 -8.672 -6.270 1.00 0.63 H new ATOM 0 HB3 GLU A 22 -3.605 -8.976 -4.954 1.00 0.63 H new ATOM 0 HG2 GLU A 22 -2.093 -11.122 -6.538 1.00 0.63 H new ATOM 0 HG3 GLU A 22 -1.720 -10.611 -4.903 1.00 0.63 H new ATOM 345 N HIS A 23 -6.269 -9.092 -5.526 1.00 0.49 N ATOM 346 CA HIS A 23 -7.518 -9.437 -4.785 1.00 0.44 C ATOM 347 C HIS A 23 -8.748 -9.123 -5.645 1.00 0.32 C ATOM 348 O HIS A 23 -9.862 -9.433 -5.275 1.00 0.28 O ATOM 349 CB HIS A 23 -7.574 -8.621 -3.496 1.00 0.41 C ATOM 350 CG HIS A 23 -6.246 -8.764 -2.749 1.00 0.58 C ATOM 351 ND1 HIS A 23 -5.732 -9.854 -2.404 1.00 0.71 N ATOM 352 CD2 HIS A 23 -5.366 -7.791 -2.316 1.00 0.63 C ATOM 353 CE1 HIS A 23 -4.626 -9.671 -1.802 1.00 0.83 C ATOM 354 NE2 HIS A 23 -4.312 -8.382 -1.699 1.00 0.79 N ATOM 0 H HIS A 23 -5.995 -8.110 -5.490 1.00 0.49 H new ATOM 0 HA HIS A 23 -7.516 -10.502 -4.551 1.00 0.44 H new ATOM 0 HB2 HIS A 23 -7.765 -7.572 -3.724 1.00 0.41 H new ATOM 0 HB3 HIS A 23 -8.396 -8.966 -2.869 1.00 0.41 H new ATOM 0 HD2 HIS A 23 -5.497 -6.727 -2.448 1.00 0.63 H new ATOM 0 HE1 HIS A 23 -4.011 -10.472 -1.418 1.00 0.83 H new ATOM 0 HE2 HIS A 23 -3.494 -7.951 -1.269 1.00 0.79 H new ATOM 362 N ASN A 24 -8.517 -8.512 -6.774 1.00 0.34 N ATOM 363 CA ASN A 24 -9.661 -8.169 -7.672 1.00 0.40 C ATOM 364 C ASN A 24 -10.728 -7.384 -6.900 1.00 0.31 C ATOM 365 O ASN A 24 -11.765 -7.917 -6.555 1.00 0.40 O ATOM 366 CB ASN A 24 -10.273 -9.460 -8.215 1.00 0.54 C ATOM 367 CG ASN A 24 -9.192 -10.269 -8.934 1.00 1.69 C ATOM 368 OD1 ASN A 24 -8.163 -9.750 -9.318 1.00 2.56 O ATOM 369 ND2 ASN A 24 -9.386 -11.544 -9.136 1.00 2.47 N ATOM 0 H ASN A 24 -7.595 -8.237 -7.113 1.00 0.34 H new ATOM 0 HA ASN A 24 -9.298 -7.552 -8.494 1.00 0.40 H new ATOM 0 HB2 ASN A 24 -10.699 -10.045 -7.400 1.00 0.54 H new ATOM 0 HB3 ASN A 24 -11.088 -9.229 -8.902 1.00 0.54 H new ATOM 0 HD21 ASN A 24 -8.676 -12.099 -9.614 1.00 2.47 H new ATOM 0 HD22 ASN A 24 -10.248 -11.986 -8.816 1.00 2.47 H new ATOM 376 N LEU A 25 -10.449 -6.133 -6.650 1.00 0.36 N ATOM 377 CA LEU A 25 -11.435 -5.291 -5.903 1.00 0.49 C ATOM 378 C LEU A 25 -11.473 -3.879 -6.496 1.00 0.53 C ATOM 379 O LEU A 25 -10.507 -3.419 -7.071 1.00 0.68 O ATOM 380 CB LEU A 25 -11.021 -5.215 -4.432 1.00 0.48 C ATOM 381 CG LEU A 25 -11.670 -6.369 -3.659 1.00 0.84 C ATOM 382 CD1 LEU A 25 -10.795 -6.719 -2.454 1.00 0.96 C ATOM 383 CD2 LEU A 25 -13.053 -5.935 -3.166 1.00 1.04 C ATOM 0 H LEU A 25 -9.590 -5.658 -6.927 1.00 0.36 H new ATOM 0 HA LEU A 25 -12.426 -5.738 -5.985 1.00 0.49 H new ATOM 0 HB2 LEU A 25 -9.936 -5.270 -4.345 1.00 0.48 H new ATOM 0 HB3 LEU A 25 -11.327 -4.260 -4.006 1.00 0.48 H new ATOM 0 HG LEU A 25 -11.769 -7.237 -4.310 1.00 0.84 H new ATOM 0 HD11 LEU A 25 -11.251 -7.539 -1.899 1.00 0.96 H new ATOM 0 HD12 LEU A 25 -9.805 -7.019 -2.798 1.00 0.96 H new ATOM 0 HD13 LEU A 25 -10.705 -5.848 -1.805 1.00 0.96 H new ATOM 0 HD21 LEU A 25 -13.517 -6.754 -2.616 1.00 1.04 H new ATOM 0 HD22 LEU A 25 -12.951 -5.070 -2.511 1.00 1.04 H new ATOM 0 HD23 LEU A 25 -13.678 -5.672 -4.020 1.00 1.04 H new ATOM 395 N ASP A 26 -12.589 -3.220 -6.341 1.00 0.53 N ATOM 396 CA ASP A 26 -12.705 -1.837 -6.889 1.00 0.69 C ATOM 397 C ASP A 26 -12.313 -0.810 -5.822 1.00 0.76 C ATOM 398 O ASP A 26 -12.975 -0.678 -4.812 1.00 0.75 O ATOM 399 CB ASP A 26 -14.147 -1.592 -7.326 1.00 0.85 C ATOM 400 CG ASP A 26 -14.169 -0.524 -8.421 1.00 2.31 C ATOM 401 OD1 ASP A 26 -13.700 -0.846 -9.501 1.00 2.82 O ATOM 402 OD2 ASP A 26 -14.652 0.554 -8.116 1.00 3.21 O ATOM 0 H ASP A 26 -13.418 -3.574 -5.864 1.00 0.53 H new ATOM 0 HA ASP A 26 -12.035 -1.732 -7.742 1.00 0.69 H new ATOM 0 HB2 ASP A 26 -14.589 -2.517 -7.695 1.00 0.85 H new ATOM 0 HB3 ASP A 26 -14.747 -1.269 -6.475 1.00 0.85 H new ATOM 407 N ALA A 27 -11.243 -0.106 -6.070 1.00 0.84 N ATOM 408 CA ALA A 27 -10.793 0.917 -5.082 1.00 0.96 C ATOM 409 C ALA A 27 -11.916 1.926 -4.817 1.00 0.97 C ATOM 410 O ALA A 27 -12.054 2.431 -3.720 1.00 0.92 O ATOM 411 CB ALA A 27 -9.571 1.647 -5.639 1.00 1.01 C ATOM 0 H ALA A 27 -10.665 -0.193 -6.906 1.00 0.84 H new ATOM 0 HA ALA A 27 -10.535 0.423 -4.145 1.00 0.96 H new ATOM 0 HB1 ALA A 27 -9.237 2.397 -4.922 1.00 1.01 H new ATOM 0 HB2 ALA A 27 -8.769 0.931 -5.816 1.00 1.01 H new ATOM 0 HB3 ALA A 27 -9.835 2.135 -6.577 1.00 1.01 H new ATOM 417 N SER A 28 -12.693 2.200 -5.829 1.00 1.16 N ATOM 418 CA SER A 28 -13.810 3.174 -5.652 1.00 1.23 C ATOM 419 C SER A 28 -14.766 2.690 -4.557 1.00 0.99 C ATOM 420 O SER A 28 -15.526 3.462 -4.007 1.00 0.83 O ATOM 421 CB SER A 28 -14.571 3.305 -6.971 1.00 1.61 C ATOM 422 OG SER A 28 -13.635 2.890 -7.955 1.00 2.43 O ATOM 0 H SER A 28 -12.606 1.797 -6.762 1.00 1.16 H new ATOM 0 HA SER A 28 -13.401 4.141 -5.360 1.00 1.23 H new ATOM 0 HB2 SER A 28 -15.463 2.679 -6.980 1.00 1.61 H new ATOM 0 HB3 SER A 28 -14.900 4.330 -7.141 1.00 1.61 H new ATOM 0 HG SER A 28 -13.958 2.073 -8.390 1.00 2.43 H new ATOM 428 N ALA A 29 -14.705 1.420 -4.262 1.00 1.05 N ATOM 429 CA ALA A 29 -15.603 0.870 -3.204 1.00 1.03 C ATOM 430 C ALA A 29 -14.955 1.034 -1.826 1.00 0.85 C ATOM 431 O ALA A 29 -15.620 0.961 -0.811 1.00 1.02 O ATOM 432 CB ALA A 29 -15.851 -0.613 -3.479 1.00 1.34 C ATOM 0 H ALA A 29 -14.080 0.745 -4.702 1.00 1.05 H new ATOM 0 HA ALA A 29 -16.548 1.412 -3.216 1.00 1.03 H new ATOM 0 HB1 ALA A 29 -16.506 -1.021 -2.710 1.00 1.34 H new ATOM 0 HB2 ALA A 29 -16.322 -0.728 -4.455 1.00 1.34 H new ATOM 0 HB3 ALA A 29 -14.902 -1.149 -3.468 1.00 1.34 H new ATOM 438 N ILE A 30 -13.668 1.252 -1.819 1.00 0.69 N ATOM 439 CA ILE A 30 -12.961 1.423 -0.516 1.00 0.60 C ATOM 440 C ILE A 30 -12.920 2.906 -0.136 1.00 0.54 C ATOM 441 O ILE A 30 -12.830 3.766 -0.989 1.00 0.39 O ATOM 442 CB ILE A 30 -11.527 0.891 -0.649 1.00 0.56 C ATOM 443 CG1 ILE A 30 -11.553 -0.504 -1.314 1.00 0.85 C ATOM 444 CG2 ILE A 30 -10.865 0.817 0.745 1.00 0.68 C ATOM 445 CD1 ILE A 30 -12.615 -1.392 -0.650 1.00 1.19 C ATOM 0 H ILE A 30 -13.080 1.319 -2.650 1.00 0.69 H new ATOM 0 HA ILE A 30 -13.492 0.870 0.259 1.00 0.60 H new ATOM 0 HB ILE A 30 -10.943 1.566 -1.274 1.00 0.56 H new ATOM 0 HG12 ILE A 30 -11.767 -0.403 -2.378 1.00 0.85 H new ATOM 0 HG13 ILE A 30 -10.573 -0.973 -1.229 1.00 0.85 H new ATOM 0 HG21 ILE A 30 -9.848 0.439 0.645 1.00 0.68 H new ATOM 0 HG22 ILE A 30 -10.840 1.812 1.189 1.00 0.68 H new ATOM 0 HG23 ILE A 30 -11.439 0.148 1.386 1.00 0.68 H new ATOM 0 HD11 ILE A 30 -12.622 -2.371 -1.129 1.00 1.19 H new ATOM 0 HD12 ILE A 30 -12.383 -1.507 0.409 1.00 1.19 H new ATOM 0 HD13 ILE A 30 -13.596 -0.929 -0.758 1.00 1.19 H new ATOM 457 N LYS A 31 -12.988 3.174 1.140 1.00 0.87 N ATOM 458 CA LYS A 31 -12.955 4.596 1.592 1.00 1.09 C ATOM 459 C LYS A 31 -11.508 5.099 1.638 1.00 0.96 C ATOM 460 O LYS A 31 -10.733 4.693 2.481 1.00 1.07 O ATOM 461 CB LYS A 31 -13.573 4.690 2.990 1.00 1.55 C ATOM 462 CG LYS A 31 -15.023 4.176 2.944 1.00 1.88 C ATOM 463 CD LYS A 31 -15.943 5.226 2.297 1.00 1.35 C ATOM 464 CE LYS A 31 -16.629 4.605 1.077 1.00 2.71 C ATOM 465 NZ LYS A 31 -17.405 3.397 1.473 1.00 3.73 N ATOM 0 H LYS A 31 -13.064 2.479 1.883 1.00 0.87 H new ATOM 0 HA LYS A 31 -13.521 5.211 0.893 1.00 1.09 H new ATOM 0 HB2 LYS A 31 -12.989 4.102 3.698 1.00 1.55 H new ATOM 0 HB3 LYS A 31 -13.552 5.722 3.340 1.00 1.55 H new ATOM 0 HG2 LYS A 31 -15.068 3.245 2.378 1.00 1.88 H new ATOM 0 HG3 LYS A 31 -15.369 3.953 3.953 1.00 1.88 H new ATOM 0 HD2 LYS A 31 -16.689 5.567 3.015 1.00 1.35 H new ATOM 0 HD3 LYS A 31 -15.365 6.101 1.999 1.00 1.35 H new ATOM 0 HE2 LYS A 31 -17.293 5.336 0.615 1.00 2.71 H new ATOM 0 HE3 LYS A 31 -15.882 4.336 0.330 1.00 2.71 H new ATOM 0 HZ1 LYS A 31 -18.275 3.341 0.905 1.00 3.73 H new ATOM 0 HZ2 LYS A 31 -16.830 2.546 1.310 1.00 3.73 H new ATOM 0 HZ3 LYS A 31 -17.653 3.459 2.481 1.00 3.73 H new ATOM 479 N GLY A 32 -11.175 5.973 0.728 1.00 0.76 N ATOM 480 CA GLY A 32 -9.786 6.511 0.703 1.00 0.62 C ATOM 481 C GLY A 32 -9.697 7.796 1.530 1.00 0.60 C ATOM 482 O GLY A 32 -9.790 8.886 1.001 1.00 0.40 O ATOM 0 H GLY A 32 -11.799 6.335 0.007 1.00 0.76 H new ATOM 0 HA2 GLY A 32 -9.094 5.768 1.099 1.00 0.62 H new ATOM 0 HA3 GLY A 32 -9.485 6.711 -0.325 1.00 0.62 H new ATOM 486 N THR A 33 -9.518 7.641 2.813 1.00 0.97 N ATOM 487 CA THR A 33 -9.418 8.845 3.691 1.00 1.00 C ATOM 488 C THR A 33 -7.950 9.241 3.879 1.00 1.20 C ATOM 489 O THR A 33 -7.521 9.548 4.974 1.00 1.91 O ATOM 490 CB THR A 33 -10.041 8.523 5.052 1.00 1.14 C ATOM 491 OG1 THR A 33 -9.667 7.174 5.314 1.00 1.48 O ATOM 492 CG2 THR A 33 -11.566 8.513 4.982 1.00 1.00 C ATOM 0 H THR A 33 -9.437 6.743 3.289 1.00 0.97 H new ATOM 0 HA THR A 33 -9.949 9.676 3.226 1.00 1.00 H new ATOM 0 HB THR A 33 -9.717 9.255 5.791 1.00 1.14 H new ATOM 0 HG1 THR A 33 -10.033 6.895 6.179 1.00 1.48 H new ATOM 0 HG21 THR A 33 -11.974 8.281 5.966 1.00 1.00 H new ATOM 0 HG22 THR A 33 -11.922 9.493 4.663 1.00 1.00 H new ATOM 0 HG23 THR A 33 -11.892 7.758 4.267 1.00 1.00 H new ATOM 500 N GLY A 34 -7.210 9.226 2.804 1.00 0.68 N ATOM 501 CA GLY A 34 -5.769 9.596 2.898 1.00 0.81 C ATOM 502 C GLY A 34 -5.569 11.067 2.531 1.00 0.60 C ATOM 503 O GLY A 34 -6.521 11.796 2.330 1.00 0.53 O ATOM 0 H GLY A 34 -7.538 8.976 1.871 1.00 0.68 H new ATOM 0 HA2 GLY A 34 -5.406 9.415 3.910 1.00 0.81 H new ATOM 0 HA3 GLY A 34 -5.181 8.965 2.231 1.00 0.81 H new ATOM 507 N VAL A 35 -4.332 11.474 2.450 1.00 0.73 N ATOM 508 CA VAL A 35 -4.048 12.895 2.096 1.00 0.79 C ATOM 509 C VAL A 35 -4.817 13.286 0.831 1.00 1.00 C ATOM 510 O VAL A 35 -4.589 12.740 -0.231 1.00 2.04 O ATOM 511 CB VAL A 35 -2.549 13.060 1.854 1.00 1.10 C ATOM 512 CG1 VAL A 35 -2.302 14.369 1.102 1.00 1.72 C ATOM 513 CG2 VAL A 35 -1.825 13.109 3.201 1.00 0.56 C ATOM 0 H VAL A 35 -3.511 10.890 2.612 1.00 0.73 H new ATOM 0 HA VAL A 35 -4.365 13.541 2.915 1.00 0.79 H new ATOM 0 HB VAL A 35 -2.176 12.222 1.266 1.00 1.10 H new ATOM 0 HG11 VAL A 35 -1.233 14.492 0.927 1.00 1.72 H new ATOM 0 HG12 VAL A 35 -2.826 14.344 0.147 1.00 1.72 H new ATOM 0 HG13 VAL A 35 -2.671 15.205 1.696 1.00 1.72 H new ATOM 0 HG21 VAL A 35 -0.754 13.227 3.034 1.00 0.56 H new ATOM 0 HG22 VAL A 35 -2.197 13.952 3.783 1.00 0.56 H new ATOM 0 HG23 VAL A 35 -2.008 12.183 3.746 1.00 0.56 H new ATOM 523 N GLY A 36 -5.712 14.224 0.970 1.00 0.12 N ATOM 524 CA GLY A 36 -6.504 14.662 -0.214 1.00 0.19 C ATOM 525 C GLY A 36 -7.572 13.621 -0.554 1.00 0.44 C ATOM 526 O GLY A 36 -8.042 13.551 -1.672 1.00 0.62 O ATOM 0 H GLY A 36 -5.929 14.703 1.844 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -6.976 15.623 -0.009 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -5.843 14.807 -1.069 1.00 0.19 H new ATOM 530 N GLY A 37 -7.935 12.833 0.421 1.00 0.89 N ATOM 531 CA GLY A 37 -8.970 11.790 0.171 1.00 1.24 C ATOM 532 C GLY A 37 -8.453 10.756 -0.830 1.00 1.15 C ATOM 533 O GLY A 37 -9.211 10.197 -1.597 1.00 1.39 O ATOM 0 H GLY A 37 -7.564 12.865 1.371 1.00 0.89 H new ATOM 0 HA2 GLY A 37 -9.234 11.299 1.107 1.00 1.24 H new ATOM 0 HA3 GLY A 37 -9.878 12.254 -0.213 1.00 1.24 H new ATOM 537 N ARG A 38 -7.169 10.521 -0.801 1.00 0.85 N ATOM 538 CA ARG A 38 -6.583 9.526 -1.747 1.00 0.83 C ATOM 539 C ARG A 38 -6.486 8.151 -1.076 1.00 0.67 C ATOM 540 O ARG A 38 -6.582 8.039 0.130 1.00 0.72 O ATOM 541 CB ARG A 38 -5.190 9.992 -2.164 1.00 0.74 C ATOM 542 CG ARG A 38 -5.308 11.332 -2.895 1.00 1.48 C ATOM 543 CD ARG A 38 -3.908 11.849 -3.230 1.00 1.19 C ATOM 544 NE ARG A 38 -4.006 13.278 -3.640 1.00 2.74 N ATOM 545 CZ ARG A 38 -3.874 13.594 -4.900 1.00 3.32 C ATOM 546 NH1 ARG A 38 -4.881 13.404 -5.707 1.00 4.25 N ATOM 547 NH2 ARG A 38 -2.738 14.091 -5.309 1.00 3.36 N ATOM 0 H ARG A 38 -6.505 10.970 -0.170 1.00 0.85 H new ATOM 0 HA ARG A 38 -7.224 9.444 -2.625 1.00 0.83 H new ATOM 0 HB2 ARG A 38 -4.551 10.097 -1.288 1.00 0.74 H new ATOM 0 HB3 ARG A 38 -4.724 9.250 -2.812 1.00 0.74 H new ATOM 0 HG2 ARG A 38 -5.892 11.212 -3.808 1.00 1.48 H new ATOM 0 HG3 ARG A 38 -5.836 12.054 -2.272 1.00 1.48 H new ATOM 0 HD2 ARG A 38 -3.252 11.749 -2.365 1.00 1.19 H new ATOM 0 HD3 ARG A 38 -3.469 11.256 -4.032 1.00 1.19 H new ATOM 0 HE ARG A 38 -4.175 14.003 -2.943 1.00 2.74 H new ATOM 0 HH11 ARG A 38 -5.754 13.014 -5.351 1.00 4.25 H new ATOM 0 HH12 ARG A 38 -4.796 13.645 -6.694 1.00 4.25 H new ATOM 0 HH21 ARG A 38 -1.973 14.226 -4.648 1.00 3.36 H new ATOM 0 HH22 ARG A 38 -2.616 14.344 -6.290 1.00 3.36 H new ATOM 561 N LEU A 39 -6.298 7.136 -1.873 1.00 0.55 N ATOM 562 CA LEU A 39 -6.195 5.762 -1.299 1.00 0.58 C ATOM 563 C LEU A 39 -4.777 5.514 -0.770 1.00 0.54 C ATOM 564 O LEU A 39 -3.805 5.832 -1.428 1.00 0.66 O ATOM 565 CB LEU A 39 -6.523 4.740 -2.393 1.00 0.73 C ATOM 566 CG LEU A 39 -6.560 3.324 -1.791 1.00 0.90 C ATOM 567 CD1 LEU A 39 -7.706 3.218 -0.777 1.00 0.96 C ATOM 568 CD2 LEU A 39 -6.794 2.309 -2.914 1.00 1.01 C ATOM 0 H LEU A 39 -6.212 7.195 -2.888 1.00 0.55 H new ATOM 0 HA LEU A 39 -6.899 5.661 -0.473 1.00 0.58 H new ATOM 0 HB2 LEU A 39 -7.485 4.977 -2.848 1.00 0.73 H new ATOM 0 HB3 LEU A 39 -5.775 4.789 -3.185 1.00 0.73 H new ATOM 0 HG LEU A 39 -5.613 3.121 -1.290 1.00 0.90 H new ATOM 0 HD11 LEU A 39 -7.726 2.213 -0.355 1.00 0.96 H new ATOM 0 HD12 LEU A 39 -7.554 3.944 0.021 1.00 0.96 H new ATOM 0 HD13 LEU A 39 -8.653 3.421 -1.276 1.00 0.96 H new ATOM 0 HD21 LEU A 39 -6.821 1.303 -2.495 1.00 1.01 H new ATOM 0 HD22 LEU A 39 -7.743 2.523 -3.406 1.00 1.01 H new ATOM 0 HD23 LEU A 39 -5.985 2.377 -3.641 1.00 1.01 H new ATOM 580 N THR A 40 -4.697 4.951 0.412 1.00 0.61 N ATOM 581 CA THR A 40 -3.355 4.669 1.015 1.00 0.63 C ATOM 582 C THR A 40 -3.150 3.157 1.159 1.00 0.73 C ATOM 583 O THR A 40 -3.775 2.375 0.470 1.00 0.86 O ATOM 584 CB THR A 40 -3.283 5.324 2.397 1.00 0.68 C ATOM 585 OG1 THR A 40 -4.125 4.525 3.223 1.00 0.79 O ATOM 586 CG2 THR A 40 -3.920 6.710 2.393 1.00 0.88 C ATOM 0 H THR A 40 -5.497 4.676 0.982 1.00 0.61 H new ATOM 0 HA THR A 40 -2.576 5.073 0.368 1.00 0.63 H new ATOM 0 HB THR A 40 -2.244 5.403 2.717 1.00 0.68 H new ATOM 0 HG1 THR A 40 -5.035 4.888 3.211 1.00 0.79 H new ATOM 0 HG21 THR A 40 -3.851 7.145 3.390 1.00 0.88 H new ATOM 0 HG22 THR A 40 -3.397 7.349 1.681 1.00 0.88 H new ATOM 0 HG23 THR A 40 -4.968 6.628 2.105 1.00 0.88 H new ATOM 594 N ARG A 41 -2.275 2.780 2.055 1.00 0.87 N ATOM 595 CA ARG A 41 -2.011 1.323 2.259 1.00 1.00 C ATOM 596 C ARG A 41 -2.779 0.814 3.485 1.00 0.88 C ATOM 597 O ARG A 41 -3.075 -0.360 3.590 1.00 1.01 O ATOM 598 CB ARG A 41 -0.513 1.115 2.474 1.00 1.23 C ATOM 599 CG ARG A 41 -0.145 -0.320 2.092 1.00 1.38 C ATOM 600 CD ARG A 41 1.155 -0.713 2.800 1.00 1.69 C ATOM 601 NE ARG A 41 2.205 0.293 2.476 1.00 2.99 N ATOM 602 CZ ARG A 41 2.987 0.730 3.426 1.00 3.82 C ATOM 603 NH1 ARG A 41 3.238 -0.048 4.444 1.00 3.72 N ATOM 604 NH2 ARG A 41 3.491 1.929 3.326 1.00 4.96 N ATOM 0 H ARG A 41 -1.736 3.410 2.649 1.00 0.87 H new ATOM 0 HA ARG A 41 -2.342 0.769 1.381 1.00 1.00 H new ATOM 0 HB2 ARG A 41 0.055 1.822 1.869 1.00 1.23 H new ATOM 0 HB3 ARG A 41 -0.253 1.305 3.515 1.00 1.23 H new ATOM 0 HG2 ARG A 41 -0.947 -1.001 2.375 1.00 1.38 H new ATOM 0 HG3 ARG A 41 -0.024 -0.402 1.012 1.00 1.38 H new ATOM 0 HD2 ARG A 41 0.998 -0.760 3.878 1.00 1.69 H new ATOM 0 HD3 ARG A 41 1.473 -1.706 2.481 1.00 1.69 H new ATOM 0 HE ARG A 41 2.312 0.637 1.522 1.00 2.99 H new ATOM 0 HH11 ARG A 41 2.826 -0.980 4.488 1.00 3.72 H new ATOM 0 HH12 ARG A 41 3.847 0.276 5.196 1.00 3.72 H new ATOM 0 HH21 ARG A 41 3.272 2.508 2.515 1.00 4.96 H new ATOM 0 HH22 ARG A 41 4.104 2.287 4.058 1.00 4.96 H new ATOM 618 N GLU A 42 -3.083 1.709 4.385 1.00 0.73 N ATOM 619 CA GLU A 42 -3.830 1.294 5.609 1.00 0.71 C ATOM 620 C GLU A 42 -5.338 1.441 5.383 1.00 0.58 C ATOM 621 O GLU A 42 -6.072 1.781 6.292 1.00 0.47 O ATOM 622 CB GLU A 42 -3.402 2.178 6.778 1.00 1.02 C ATOM 623 CG GLU A 42 -1.881 2.336 6.759 1.00 1.00 C ATOM 624 CD GLU A 42 -1.437 3.116 7.998 1.00 1.31 C ATOM 625 OE1 GLU A 42 -2.312 3.406 8.797 1.00 1.44 O ATOM 626 OE2 GLU A 42 -0.248 3.379 8.074 1.00 2.12 O ATOM 0 H GLU A 42 -2.850 2.700 4.328 1.00 0.73 H new ATOM 0 HA GLU A 42 -3.607 0.250 5.830 1.00 0.71 H new ATOM 0 HB2 GLU A 42 -3.882 3.154 6.706 1.00 1.02 H new ATOM 0 HB3 GLU A 42 -3.722 1.734 7.721 1.00 1.02 H new ATOM 0 HG2 GLU A 42 -1.403 1.357 6.741 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -1.570 2.859 5.855 1.00 1.00 H new ATOM 633 N ASP A 43 -5.764 1.181 4.172 1.00 0.84 N ATOM 634 CA ASP A 43 -7.222 1.294 3.850 1.00 0.74 C ATOM 635 C ASP A 43 -7.762 -0.059 3.377 1.00 0.78 C ATOM 636 O ASP A 43 -8.625 -0.641 4.004 1.00 1.02 O ATOM 637 CB ASP A 43 -7.408 2.329 2.742 1.00 0.85 C ATOM 638 CG ASP A 43 -7.595 3.713 3.368 1.00 0.63 C ATOM 639 OD1 ASP A 43 -8.733 4.013 3.687 1.00 1.50 O ATOM 640 OD2 ASP A 43 -6.587 4.391 3.491 1.00 1.40 O ATOM 0 H ASP A 43 -5.169 0.896 3.394 1.00 0.84 H new ATOM 0 HA ASP A 43 -7.766 1.601 4.743 1.00 0.74 H new ATOM 0 HB2 ASP A 43 -6.541 2.330 2.081 1.00 0.85 H new ATOM 0 HB3 ASP A 43 -8.274 2.073 2.132 1.00 0.85 H new ATOM 645 N VAL A 44 -7.240 -0.532 2.279 1.00 0.61 N ATOM 646 CA VAL A 44 -7.709 -1.846 1.749 1.00 0.65 C ATOM 647 C VAL A 44 -7.727 -2.890 2.873 1.00 0.74 C ATOM 648 O VAL A 44 -8.346 -3.927 2.751 1.00 0.71 O ATOM 649 CB VAL A 44 -6.759 -2.304 0.642 1.00 1.03 C ATOM 650 CG1 VAL A 44 -7.410 -3.444 -0.147 1.00 0.90 C ATOM 651 CG2 VAL A 44 -6.484 -1.132 -0.304 1.00 1.25 C ATOM 0 H VAL A 44 -6.515 -0.071 1.729 1.00 0.61 H new ATOM 0 HA VAL A 44 -8.718 -1.737 1.352 1.00 0.65 H new ATOM 0 HB VAL A 44 -5.824 -2.650 1.083 1.00 1.03 H new ATOM 0 HG11 VAL A 44 -6.734 -3.772 -0.937 1.00 0.90 H new ATOM 0 HG12 VAL A 44 -7.617 -4.278 0.523 1.00 0.90 H new ATOM 0 HG13 VAL A 44 -8.343 -3.094 -0.590 1.00 0.90 H new ATOM 0 HG21 VAL A 44 -5.807 -1.454 -1.095 1.00 1.25 H new ATOM 0 HG22 VAL A 44 -7.421 -0.792 -0.745 1.00 1.25 H new ATOM 0 HG23 VAL A 44 -6.028 -0.314 0.253 1.00 1.25 H new ATOM 661 N GLU A 45 -7.046 -2.588 3.945 1.00 1.01 N ATOM 662 CA GLU A 45 -7.008 -3.551 5.085 1.00 1.37 C ATOM 663 C GLU A 45 -8.373 -3.609 5.781 1.00 1.41 C ATOM 664 O GLU A 45 -9.045 -4.620 5.748 1.00 1.71 O ATOM 665 CB GLU A 45 -5.946 -3.099 6.084 1.00 1.57 C ATOM 666 CG GLU A 45 -4.566 -3.234 5.439 1.00 0.45 C ATOM 667 CD GLU A 45 -3.780 -4.332 6.158 1.00 0.83 C ATOM 668 OE1 GLU A 45 -4.335 -5.413 6.265 1.00 1.96 O ATOM 669 OE2 GLU A 45 -2.668 -4.028 6.558 1.00 0.92 O ATOM 0 H GLU A 45 -6.519 -1.725 4.081 1.00 1.01 H new ATOM 0 HA GLU A 45 -6.766 -4.544 4.706 1.00 1.37 H new ATOM 0 HB2 GLU A 45 -6.124 -2.065 6.380 1.00 1.57 H new ATOM 0 HB3 GLU A 45 -5.999 -3.704 6.989 1.00 1.57 H new ATOM 0 HG2 GLU A 45 -4.668 -3.476 4.381 1.00 0.45 H new ATOM 0 HG3 GLU A 45 -4.029 -2.287 5.499 1.00 0.45 H new ATOM 676 N LYS A 46 -8.748 -2.522 6.399 1.00 1.24 N ATOM 677 CA LYS A 46 -10.067 -2.496 7.102 1.00 1.39 C ATOM 678 C LYS A 46 -11.147 -3.134 6.222 1.00 1.27 C ATOM 679 O LYS A 46 -12.090 -3.718 6.717 1.00 1.17 O ATOM 680 CB LYS A 46 -10.446 -1.047 7.402 1.00 1.33 C ATOM 681 CG LYS A 46 -11.576 -1.027 8.435 1.00 2.47 C ATOM 682 CD LYS A 46 -12.491 0.169 8.162 1.00 3.24 C ATOM 683 CE LYS A 46 -13.612 0.193 9.201 1.00 4.12 C ATOM 684 NZ LYS A 46 -14.499 1.370 8.981 1.00 5.38 N ATOM 0 H LYS A 46 -8.207 -1.659 6.449 1.00 1.24 H new ATOM 0 HA LYS A 46 -9.990 -3.060 8.031 1.00 1.39 H new ATOM 0 HB2 LYS A 46 -9.581 -0.503 7.781 1.00 1.33 H new ATOM 0 HB3 LYS A 46 -10.763 -0.545 6.488 1.00 1.33 H new ATOM 0 HG2 LYS A 46 -12.146 -1.955 8.385 1.00 2.47 H new ATOM 0 HG3 LYS A 46 -11.163 -0.961 9.441 1.00 2.47 H new ATOM 0 HD2 LYS A 46 -11.920 1.096 8.205 1.00 3.24 H new ATOM 0 HD3 LYS A 46 -12.911 0.099 7.158 1.00 3.24 H new ATOM 0 HE2 LYS A 46 -14.194 -0.726 9.138 1.00 4.12 H new ATOM 0 HE3 LYS A 46 -13.186 0.233 10.204 1.00 4.12 H new ATOM 0 HZ1 LYS A 46 -15.256 1.373 9.694 1.00 5.38 H new ATOM 0 HZ2 LYS A 46 -13.942 2.245 9.064 1.00 5.38 H new ATOM 0 HZ3 LYS A 46 -14.919 1.315 8.031 1.00 5.38 H new ATOM 698 N HIS A 47 -10.983 -3.007 4.934 1.00 1.40 N ATOM 699 CA HIS A 47 -11.988 -3.604 4.005 1.00 1.31 C ATOM 700 C HIS A 47 -11.720 -5.102 3.834 1.00 1.33 C ATOM 701 O HIS A 47 -12.619 -5.913 3.942 1.00 1.42 O ATOM 702 CB HIS A 47 -11.888 -2.912 2.647 1.00 1.06 C ATOM 703 CG HIS A 47 -12.427 -3.850 1.565 1.00 0.40 C ATOM 704 ND1 HIS A 47 -13.639 -3.996 1.278 1.00 1.21 N ATOM 705 CD2 HIS A 47 -11.746 -4.703 0.715 1.00 1.04 C ATOM 706 CE1 HIS A 47 -13.794 -4.844 0.346 1.00 1.78 C ATOM 707 NE2 HIS A 47 -12.638 -5.349 -0.077 1.00 1.79 N ATOM 0 H HIS A 47 -10.206 -2.521 4.487 1.00 1.40 H new ATOM 0 HA HIS A 47 -12.987 -3.467 4.419 1.00 1.31 H new ATOM 0 HB2 HIS A 47 -12.457 -1.982 2.656 1.00 1.06 H new ATOM 0 HB3 HIS A 47 -10.852 -2.649 2.434 1.00 1.06 H new ATOM 0 HD1 HIS A 47 -14.403 -3.497 1.735 1.00 1.21 H new ATOM 0 HD2 HIS A 47 -10.674 -4.834 0.686 1.00 1.04 H new ATOM 0 HE1 HIS A 47 -14.756 -5.124 -0.058 1.00 1.78 H new ATOM 715 N LEU A 48 -10.486 -5.437 3.568 1.00 1.28 N ATOM 716 CA LEU A 48 -10.138 -6.879 3.387 1.00 1.29 C ATOM 717 C LEU A 48 -10.641 -7.697 4.580 1.00 1.52 C ATOM 718 O LEU A 48 -11.076 -8.821 4.427 1.00 1.68 O ATOM 719 CB LEU A 48 -8.618 -7.016 3.277 1.00 1.26 C ATOM 720 CG LEU A 48 -8.206 -6.902 1.807 1.00 0.93 C ATOM 721 CD1 LEU A 48 -6.747 -6.448 1.728 1.00 0.88 C ATOM 722 CD2 LEU A 48 -8.342 -8.271 1.137 1.00 0.94 C ATOM 0 H LEU A 48 -9.710 -4.783 3.469 1.00 1.28 H new ATOM 0 HA LEU A 48 -10.612 -7.253 2.479 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -8.128 -6.240 3.865 1.00 1.26 H new ATOM 0 HB3 LEU A 48 -8.297 -7.975 3.683 1.00 1.26 H new ATOM 0 HG LEU A 48 -8.846 -6.179 1.301 1.00 0.93 H new ATOM 0 HD11 LEU A 48 -6.448 -6.365 0.683 1.00 0.88 H new ATOM 0 HD12 LEU A 48 -6.641 -5.478 2.214 1.00 0.88 H new ATOM 0 HD13 LEU A 48 -6.111 -7.177 2.231 1.00 0.88 H new ATOM 0 HD21 LEU A 48 -8.050 -8.194 0.090 1.00 0.94 H new ATOM 0 HD22 LEU A 48 -7.696 -8.989 1.642 1.00 0.94 H new ATOM 0 HD23 LEU A 48 -9.377 -8.606 1.201 1.00 0.94 H new ATOM 734 N ALA A 49 -10.571 -7.113 5.745 1.00 2.13 N ATOM 735 CA ALA A 49 -11.042 -7.840 6.960 1.00 2.36 C ATOM 736 C ALA A 49 -12.504 -7.491 7.249 1.00 3.77 C ATOM 737 O ALA A 49 -13.039 -6.548 6.699 1.00 4.65 O ATOM 738 CB ALA A 49 -10.175 -7.435 8.152 1.00 3.00 C ATOM 0 H ALA A 49 -10.212 -6.173 5.909 1.00 2.13 H new ATOM 0 HA ALA A 49 -10.963 -8.914 6.791 1.00 2.36 H new ATOM 0 HB1 ALA A 49 -10.513 -7.962 9.044 1.00 3.00 H new ATOM 0 HB2 ALA A 49 -9.135 -7.693 7.950 1.00 3.00 H new ATOM 0 HB3 ALA A 49 -10.257 -6.360 8.313 1.00 3.00 H new ATOM 744 N LYS A 50 -13.118 -8.258 8.108 1.00 4.12 N ATOM 745 CA LYS A 50 -14.548 -7.986 8.445 1.00 5.60 C ATOM 746 C LYS A 50 -14.644 -7.185 9.747 1.00 6.49 C ATOM 747 O LYS A 50 -15.450 -6.282 9.865 1.00 7.63 O ATOM 748 CB LYS A 50 -15.281 -9.316 8.609 1.00 5.73 C ATOM 749 CG LYS A 50 -16.345 -9.439 7.518 1.00 6.78 C ATOM 750 CD LYS A 50 -17.086 -10.766 7.686 1.00 7.40 C ATOM 751 CE LYS A 50 -17.857 -11.077 6.403 1.00 8.47 C ATOM 752 NZ LYS A 50 -18.863 -12.147 6.648 1.00 9.40 N ATOM 0 H LYS A 50 -12.698 -9.054 8.588 1.00 4.12 H new ATOM 0 HA LYS A 50 -15.003 -7.405 7.642 1.00 5.60 H new ATOM 0 HB2 LYS A 50 -14.576 -10.145 8.542 1.00 5.73 H new ATOM 0 HB3 LYS A 50 -15.744 -9.371 9.594 1.00 5.73 H new ATOM 0 HG2 LYS A 50 -17.046 -8.607 7.581 1.00 6.78 H new ATOM 0 HG3 LYS A 50 -15.881 -9.390 6.533 1.00 6.78 H new ATOM 0 HD2 LYS A 50 -16.379 -11.566 7.902 1.00 7.40 H new ATOM 0 HD3 LYS A 50 -17.771 -10.709 8.532 1.00 7.40 H new ATOM 0 HE2 LYS A 50 -18.355 -10.177 6.043 1.00 8.47 H new ATOM 0 HE3 LYS A 50 -17.165 -11.392 5.622 1.00 8.47 H new ATOM 0 HZ1 LYS A 50 -19.379 -12.347 5.767 1.00 9.40 H new ATOM 0 HZ2 LYS A 50 -18.380 -13.010 6.970 1.00 9.40 H new ATOM 0 HZ3 LYS A 50 -19.534 -11.832 7.378 1.00 9.40 H new ATOM 766 N ALA A 51 -13.820 -7.532 10.697 1.00 6.18 N ATOM 767 CA ALA A 51 -13.850 -6.801 11.999 1.00 7.31 C ATOM 768 C ALA A 51 -12.433 -6.675 12.566 1.00 6.99 C ATOM 769 O ALA A 51 -12.075 -5.552 12.883 1.00 7.58 O ATOM 770 CB ALA A 51 -14.727 -7.572 12.983 1.00 8.07 C ATOM 771 OXT ALA A 51 -11.790 -7.708 12.651 1.00 6.35 O ATOM 0 H ALA A 51 -13.133 -8.283 10.631 1.00 6.18 H new ATOM 0 HA ALA A 51 -14.256 -5.802 11.843 1.00 7.31 H new ATOM 0 HB1 ALA A 51 -14.754 -7.045 13.937 1.00 8.07 H new ATOM 0 HB2 ALA A 51 -15.738 -7.652 12.584 1.00 8.07 H new ATOM 0 HB3 ALA A 51 -14.316 -8.570 13.132 1.00 8.07 H new TER 777 ALA A 51