USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 651 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 : X 6 SER OG : rot 180:sc= 0 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HE2:sc= -0.616 K(o=-0.62,f=-2!) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : X 16 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.03) USER MOD Single : X 17 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.59) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -5:sc= 0.582 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -0.644 USER MOD Single : X 33 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.406) USER MOD Single : X 39 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.257) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 84:sc= 1.05 USER MOD Single : X 64 GLN : amide:sc= -1.75 K(o=-1.7,f=-4.1!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -2.99! X(o=-3!,f=-3) USER MOD Single : X 69 THR OG1 : rot 91:sc= 1.29 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot -39:sc= 0.831 USER MOD Single : X 82 TYR OH : rot 80:sc= -2.2! USER MOD Single : X 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 87 LYS NZ :NH3+ -165:sc= 0.147 (180deg=0.111) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.162 0.273 -10.394 1.00 1.00 N ATOM 79 CA SER X 6 68.688 1.589 -10.050 1.00 1.00 C ATOM 80 C SER X 6 70.103 1.756 -10.593 1.00 1.00 C ATOM 81 O SER X 6 70.861 0.790 -10.691 1.00 1.00 O ATOM 82 CB SER X 6 68.689 1.767 -8.532 1.00 1.00 C ATOM 83 OG SER X 6 69.211 3.050 -8.210 1.00 1.00 O ATOM 0 HA SER X 6 68.050 2.349 -10.501 1.00 1.00 H new ATOM 0 HB2 SER X 6 67.676 1.665 -8.142 1.00 1.00 H new ATOM 0 HB3 SER X 6 69.291 0.989 -8.063 1.00 1.00 H new ATOM 0 HG SER X 6 69.211 3.168 -7.237 1.00 1.00 H new ATOM 89 N GLN X 7 70.449 2.987 -10.951 1.00 1.00 N ATOM 90 CA GLN X 7 71.772 3.275 -11.492 1.00 1.00 C ATOM 91 C GLN X 7 72.852 2.945 -10.466 1.00 1.00 C ATOM 92 O GLN X 7 73.983 2.615 -10.821 1.00 1.00 O ATOM 93 CB GLN X 7 71.866 4.755 -11.868 1.00 1.00 C ATOM 94 CG GLN X 7 70.868 5.062 -12.985 1.00 1.00 C ATOM 95 CD GLN X 7 70.912 6.546 -13.331 1.00 1.00 C ATOM 96 OE1 GLN X 7 70.577 7.390 -12.500 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.309 6.918 -14.517 1.00 1.00 N ATOM 0 H GLN X 7 69.835 3.798 -10.877 1.00 1.00 H new ATOM 0 HA GLN X 7 71.925 2.660 -12.379 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.656 5.376 -10.997 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.878 4.995 -12.194 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.103 4.467 -13.868 1.00 1.00 H new ATOM 0 HG3 GLN X 7 69.862 4.783 -12.672 1.00 1.00 H new ATOM 0 HE21 GLN X 7 71.586 6.218 -15.205 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.342 7.909 -14.756 1.00 1.00 H new ATOM 106 N HIS X 8 72.490 3.034 -9.190 1.00 1.00 N ATOM 107 CA HIS X 8 73.433 2.742 -8.114 1.00 1.00 C ATOM 108 C HIS X 8 73.847 1.277 -8.160 1.00 1.00 C ATOM 109 O HIS X 8 75.004 0.940 -7.907 1.00 1.00 O ATOM 110 CB HIS X 8 72.802 3.061 -6.757 1.00 1.00 C ATOM 111 CG HIS X 8 73.823 2.851 -5.671 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.165 1.587 -5.216 1.00 1.00 N ATOM 113 CD2 HIS X 8 74.584 3.731 -4.943 1.00 1.00 C ATOM 114 CE1 HIS X 8 75.093 1.740 -4.254 1.00 1.00 C ATOM 115 NE2 HIS X 8 75.386 3.027 -4.048 1.00 1.00 N ATOM 0 H HIS X 8 71.558 3.304 -8.876 1.00 1.00 H new ATOM 0 HA HIS X 8 74.318 3.365 -8.249 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.445 4.091 -6.742 1.00 1.00 H new ATOM 0 HB3 HIS X 8 71.936 2.421 -6.586 1.00 1.00 H new ATOM 0 HD1 HIS X 8 73.783 0.702 -5.550 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.564 4.806 -5.048 1.00 1.00 H new ATOM 0 HE1 HIS X 8 75.546 0.922 -3.714 1.00 1.00 H new ATOM 123 N GLU X 9 72.896 0.410 -8.489 1.00 1.00 N ATOM 124 CA GLU X 9 73.177 -1.015 -8.573 1.00 1.00 C ATOM 125 C GLU X 9 74.244 -1.288 -9.631 1.00 1.00 C ATOM 126 O GLU X 9 75.119 -2.128 -9.441 1.00 1.00 O ATOM 127 CB GLU X 9 71.899 -1.779 -8.916 1.00 1.00 C ATOM 128 CG GLU X 9 70.960 -1.771 -7.708 1.00 1.00 C ATOM 129 CD GLU X 9 69.657 -2.482 -8.056 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.486 -2.827 -9.214 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.862 -2.695 -7.156 1.00 1.00 O ATOM 0 H GLU X 9 71.932 0.668 -8.700 1.00 1.00 H new ATOM 0 HA GLU X 9 73.549 -1.353 -7.606 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.408 -1.321 -9.775 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.140 -2.805 -9.196 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.438 -2.264 -6.862 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.754 -0.745 -7.404 1.00 1.00 H new ATOM 138 N ARG X 10 74.166 -0.574 -10.746 1.00 1.00 N ATOM 139 CA ARG X 10 75.134 -0.752 -11.816 1.00 1.00 C ATOM 140 C ARG X 10 76.527 -0.310 -11.367 1.00 1.00 C ATOM 141 O ARG X 10 77.531 -0.919 -11.735 1.00 1.00 O ATOM 142 CB ARG X 10 74.705 0.058 -13.038 1.00 1.00 C ATOM 143 CG ARG X 10 73.430 -0.552 -13.616 1.00 1.00 C ATOM 144 CD ARG X 10 73.004 0.231 -14.858 1.00 1.00 C ATOM 145 NE ARG X 10 71.822 -0.377 -15.457 1.00 1.00 N ATOM 146 CZ ARG X 10 71.142 0.244 -16.417 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.524 1.421 -16.830 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.093 -0.325 -16.944 1.00 1.00 N ATOM 0 H ARG X 10 73.449 0.127 -10.931 1.00 1.00 H new ATOM 0 HA ARG X 10 75.174 -1.810 -12.074 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.532 1.097 -12.759 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.496 0.057 -13.787 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.599 -1.598 -13.873 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.635 -0.532 -12.871 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.793 1.266 -14.589 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.819 0.250 -15.582 1.00 1.00 H new ATOM 0 HE ARG X 10 71.511 -1.294 -15.135 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.344 1.865 -16.417 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.003 1.897 -17.566 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.795 -1.245 -16.620 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.571 0.150 -17.680 1.00 1.00 H new ATOM 162 N TYR X 11 76.580 0.761 -10.578 1.00 1.00 N ATOM 163 CA TYR X 11 77.856 1.288 -10.095 1.00 1.00 C ATOM 164 C TYR X 11 78.617 0.252 -9.272 1.00 1.00 C ATOM 165 O TYR X 11 79.796 -0.010 -9.519 1.00 1.00 O ATOM 166 CB TYR X 11 77.600 2.516 -9.221 1.00 1.00 C ATOM 167 CG TYR X 11 78.879 2.909 -8.527 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.215 2.321 -7.302 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.729 3.859 -9.105 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.402 2.685 -6.653 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.916 4.223 -8.457 1.00 1.00 C ATOM 172 CZ TYR X 11 81.253 3.635 -7.231 1.00 1.00 C ATOM 173 OH TYR X 11 82.421 3.995 -6.591 1.00 1.00 O ATOM 0 H TYR X 11 75.760 1.279 -10.261 1.00 1.00 H new ATOM 0 HA TYR X 11 78.459 1.551 -10.964 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.236 3.342 -9.832 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.826 2.298 -8.485 1.00 1.00 H new ATOM 0 HD1 TYR X 11 78.559 1.587 -6.857 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.469 4.311 -10.051 1.00 1.00 H new ATOM 0 HE1 TYR X 11 80.661 2.233 -5.707 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.571 4.957 -8.902 1.00 1.00 H new ATOM 0 HH TYR X 11 82.895 4.664 -7.128 1.00 1.00 H new ATOM 183 N VAL X 12 77.938 -0.329 -8.293 1.00 1.00 N ATOM 184 CA VAL X 12 78.562 -1.326 -7.438 1.00 1.00 C ATOM 185 C VAL X 12 78.915 -2.576 -8.236 1.00 1.00 C ATOM 186 O VAL X 12 79.926 -3.228 -7.973 1.00 1.00 O ATOM 187 CB VAL X 12 77.629 -1.679 -6.280 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.295 -2.176 -6.826 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.275 -2.770 -5.435 1.00 1.00 C ATOM 0 H VAL X 12 76.962 -0.129 -8.073 1.00 1.00 H new ATOM 0 HA VAL X 12 79.484 -0.909 -7.034 1.00 1.00 H new ATOM 0 HB VAL X 12 77.455 -0.794 -5.668 1.00 1.00 H new ATOM 0 HG11 VAL X 12 75.633 -2.426 -5.997 1.00 1.00 H new ATOM 0 HG12 VAL X 12 75.837 -1.395 -7.433 1.00 1.00 H new ATOM 0 HG13 VAL X 12 76.460 -3.062 -7.439 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.615 -3.027 -4.607 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.446 -3.653 -6.050 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.227 -2.411 -5.043 1.00 1.00 H new ATOM 199 N GLU X 13 78.083 -2.898 -9.221 1.00 1.00 N ATOM 200 CA GLU X 13 78.322 -4.063 -10.062 1.00 1.00 C ATOM 201 C GLU X 13 79.583 -3.873 -10.894 1.00 1.00 C ATOM 202 O GLU X 13 80.354 -4.813 -11.094 1.00 1.00 O ATOM 203 CB GLU X 13 77.128 -4.299 -10.985 1.00 1.00 C ATOM 204 CG GLU X 13 75.994 -4.953 -10.195 1.00 1.00 C ATOM 205 CD GLU X 13 74.748 -5.058 -11.067 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.823 -4.671 -12.221 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.734 -5.516 -10.567 1.00 1.00 O ATOM 0 H GLU X 13 77.242 -2.371 -9.455 1.00 1.00 H new ATOM 0 HA GLU X 13 78.455 -4.931 -9.416 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.791 -3.354 -11.410 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.420 -4.937 -11.819 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.298 -5.944 -9.859 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.776 -4.367 -9.302 1.00 1.00 H new ATOM 214 N GLN X 14 79.798 -2.650 -11.368 1.00 1.00 N ATOM 215 CA GLN X 14 80.982 -2.364 -12.166 1.00 1.00 C ATOM 216 C GLN X 14 82.236 -2.608 -11.348 1.00 1.00 C ATOM 217 O GLN X 14 83.219 -3.151 -11.850 1.00 1.00 O ATOM 218 CB GLN X 14 80.961 -0.913 -12.650 1.00 1.00 C ATOM 219 CG GLN X 14 80.001 -0.780 -13.832 1.00 1.00 C ATOM 220 CD GLN X 14 79.927 0.675 -14.282 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.060 1.585 -13.464 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.716 0.951 -15.540 1.00 1.00 N ATOM 0 H GLN X 14 79.179 -1.854 -11.216 1.00 1.00 H new ATOM 0 HA GLN X 14 80.982 -3.027 -13.031 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.650 -0.253 -11.840 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.963 -0.603 -12.946 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.338 -1.408 -14.657 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.010 -1.132 -13.547 1.00 1.00 H new ATOM 0 HE21 GLN X 14 79.606 0.195 -16.216 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.661 1.922 -15.847 1.00 1.00 H new ATOM 231 N LEU X 15 82.198 -2.215 -10.082 1.00 1.00 N ATOM 232 CA LEU X 15 83.348 -2.417 -9.218 1.00 1.00 C ATOM 233 C LEU X 15 83.636 -3.897 -9.070 1.00 1.00 C ATOM 234 O LEU X 15 84.781 -4.312 -9.094 1.00 1.00 O ATOM 235 CB LEU X 15 83.095 -1.824 -7.834 1.00 1.00 C ATOM 236 CG LEU X 15 83.308 -0.306 -7.883 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.536 0.353 -6.746 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.796 0.021 -7.717 1.00 1.00 C ATOM 0 H LEU X 15 81.398 -1.763 -9.639 1.00 1.00 H new ATOM 0 HA LEU X 15 84.202 -1.917 -9.674 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.079 -2.049 -7.510 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.769 -2.273 -7.105 1.00 1.00 H new ATOM 0 HG LEU X 15 82.955 0.067 -8.844 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.687 1.432 -6.781 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.474 0.132 -6.851 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.894 -0.033 -5.792 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.937 1.101 -7.753 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.147 -0.359 -6.758 1.00 1.00 H new ATOM 0 HD23 LEU X 15 85.363 -0.446 -8.522 1.00 1.00 H new ATOM 250 N LYS X 16 82.590 -4.694 -8.906 1.00 1.00 N ATOM 251 CA LYS X 16 82.777 -6.123 -8.736 1.00 1.00 C ATOM 252 C LYS X 16 83.594 -6.699 -9.879 1.00 1.00 C ATOM 253 O LYS X 16 84.529 -7.449 -9.655 1.00 1.00 O ATOM 254 CB LYS X 16 81.419 -6.823 -8.700 1.00 1.00 C ATOM 255 CG LYS X 16 81.608 -8.306 -8.378 1.00 1.00 C ATOM 256 CD LYS X 16 80.245 -8.992 -8.390 1.00 1.00 C ATOM 257 CE LYS X 16 80.407 -10.466 -8.005 1.00 1.00 C ATOM 258 NZ LYS X 16 79.066 -11.115 -7.929 1.00 1.00 N ATOM 0 H LYS X 16 81.620 -4.380 -8.887 1.00 1.00 H new ATOM 0 HA LYS X 16 83.308 -6.286 -7.798 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.780 -6.357 -7.950 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.917 -6.711 -9.661 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.270 -8.769 -9.110 1.00 1.00 H new ATOM 0 HG3 LYS X 16 82.080 -8.423 -7.403 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.571 -8.496 -7.692 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.795 -8.912 -9.380 1.00 1.00 H new ATOM 0 HE2 LYS X 16 81.028 -10.978 -8.740 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.916 -10.547 -7.045 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.055 -11.799 -7.146 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.338 -10.390 -7.765 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.868 -11.609 -8.823 1.00 1.00 H new ATOM 272 N GLN X 17 83.235 -6.363 -11.105 1.00 1.00 N ATOM 273 CA GLN X 17 83.955 -6.896 -12.254 1.00 1.00 C ATOM 274 C GLN X 17 85.436 -6.516 -12.217 1.00 1.00 C ATOM 275 O GLN X 17 86.309 -7.377 -12.348 1.00 1.00 O ATOM 276 CB GLN X 17 83.320 -6.370 -13.536 1.00 1.00 C ATOM 277 CG GLN X 17 81.870 -6.851 -13.611 1.00 1.00 C ATOM 278 CD GLN X 17 81.824 -8.358 -13.840 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.561 -8.887 -14.672 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.986 -9.084 -13.152 1.00 1.00 N ATOM 0 H GLN X 17 82.464 -5.735 -11.332 1.00 1.00 H new ATOM 0 HA GLN X 17 83.890 -7.984 -12.222 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.356 -5.281 -13.554 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.878 -6.722 -14.404 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.348 -6.600 -12.687 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.351 -6.337 -14.420 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.376 -8.644 -12.463 1.00 1.00 H new ATOM 0 HE22 GLN X 17 80.941 -10.092 -13.303 1.00 1.00 H new ATOM 289 N ALA X 18 85.712 -5.225 -12.059 1.00 1.00 N ATOM 290 CA ALA X 18 87.091 -4.741 -12.030 1.00 1.00 C ATOM 291 C ALA X 18 87.861 -5.286 -10.828 1.00 1.00 C ATOM 292 O ALA X 18 88.956 -5.833 -10.978 1.00 1.00 O ATOM 293 CB ALA X 18 87.091 -3.212 -11.990 1.00 1.00 C ATOM 0 H ALA X 18 85.005 -4.498 -11.950 1.00 1.00 H new ATOM 0 HA ALA X 18 87.591 -5.096 -12.932 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.118 -2.849 -11.968 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.588 -2.825 -12.876 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.567 -2.871 -11.097 1.00 1.00 H new ATOM 299 N LEU X 19 87.289 -5.134 -9.639 1.00 1.00 N ATOM 300 CA LEU X 19 87.928 -5.615 -8.423 1.00 1.00 C ATOM 301 C LEU X 19 88.076 -7.132 -8.451 1.00 1.00 C ATOM 302 O LEU X 19 89.073 -7.675 -7.975 1.00 1.00 O ATOM 303 CB LEU X 19 87.113 -5.169 -7.205 1.00 1.00 C ATOM 304 CG LEU X 19 87.504 -3.733 -6.812 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.527 -2.818 -8.040 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.483 -3.176 -5.826 1.00 1.00 C ATOM 0 H LEU X 19 86.386 -4.682 -9.493 1.00 1.00 H new ATOM 0 HA LEU X 19 88.928 -5.187 -8.356 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.048 -5.216 -7.432 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.291 -5.846 -6.369 1.00 1.00 H new ATOM 0 HG LEU X 19 88.497 -3.766 -6.363 1.00 1.00 H new ATOM 0 HD11 LEU X 19 87.806 -1.809 -7.737 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.253 -3.194 -8.760 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.538 -2.799 -8.498 1.00 1.00 H new ATOM 0 HD21 LEU X 19 86.762 -2.159 -5.549 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.496 -3.168 -6.289 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.460 -3.802 -4.934 1.00 1.00 H new ATOM 318 N LYS X 20 87.089 -7.814 -9.012 1.00 1.00 N ATOM 319 CA LYS X 20 87.139 -9.266 -9.097 1.00 1.00 C ATOM 320 C LYS X 20 88.364 -9.716 -9.881 1.00 1.00 C ATOM 321 O LYS X 20 88.984 -10.727 -9.551 1.00 1.00 O ATOM 322 CB LYS X 20 85.860 -9.808 -9.746 1.00 1.00 C ATOM 323 CG LYS X 20 85.940 -11.326 -9.893 1.00 1.00 C ATOM 324 CD LYS X 20 84.620 -11.842 -10.458 1.00 1.00 C ATOM 325 CE LYS X 20 84.691 -13.360 -10.591 1.00 1.00 C ATOM 326 NZ LYS X 20 83.404 -13.869 -11.139 1.00 1.00 N ATOM 0 H LYS X 20 86.251 -7.391 -9.412 1.00 1.00 H new ATOM 0 HA LYS X 20 87.212 -9.667 -8.086 1.00 1.00 H new ATOM 0 HB2 LYS X 20 84.995 -9.540 -9.139 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.718 -9.348 -10.724 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.764 -11.597 -10.554 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.142 -11.788 -8.926 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.795 -11.560 -9.803 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.424 -11.389 -11.430 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.515 -13.640 -11.247 1.00 1.00 H new ATOM 0 HE3 LYS X 20 84.890 -13.812 -9.619 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.451 -14.904 -11.230 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 82.628 -13.613 -10.496 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.233 -13.446 -12.074 1.00 1.00 H new ATOM 340 N THR X 21 88.713 -8.966 -10.915 1.00 1.00 N ATOM 341 CA THR X 21 89.872 -9.310 -11.726 1.00 1.00 C ATOM 342 C THR X 21 91.167 -8.996 -10.979 1.00 1.00 C ATOM 343 O THR X 21 92.247 -9.431 -11.380 1.00 1.00 O ATOM 344 CB THR X 21 89.826 -8.544 -13.046 1.00 1.00 C ATOM 345 OG1 THR X 21 89.772 -7.149 -12.783 1.00 1.00 O ATOM 346 CG2 THR X 21 88.585 -8.969 -13.829 1.00 1.00 C ATOM 0 H THR X 21 88.218 -8.125 -11.211 1.00 1.00 H new ATOM 0 HA THR X 21 89.848 -10.380 -11.932 1.00 1.00 H new ATOM 0 HB THR X 21 90.719 -8.764 -13.631 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.691 -7.001 -11.818 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.546 -8.425 -14.773 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.630 -10.040 -14.028 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.692 -8.746 -13.245 1.00 1.00 H new ATOM 354 N ARG X 22 91.054 -8.239 -9.889 1.00 1.00 N ATOM 355 CA ARG X 22 92.221 -7.880 -9.098 1.00 1.00 C ATOM 356 C ARG X 22 92.493 -8.908 -8.003 1.00 1.00 C ATOM 357 O ARG X 22 93.495 -8.811 -7.298 1.00 1.00 O ATOM 358 CB ARG X 22 92.019 -6.502 -8.464 1.00 1.00 C ATOM 359 CG ARG X 22 92.555 -5.414 -9.399 1.00 1.00 C ATOM 360 CD ARG X 22 94.061 -5.239 -9.179 1.00 1.00 C ATOM 361 NE ARG X 22 94.565 -4.144 -9.998 1.00 1.00 N ATOM 362 CZ ARG X 22 94.990 -4.348 -11.241 1.00 1.00 C ATOM 363 NH1 ARG X 22 94.950 -5.547 -11.754 1.00 1.00 N ATOM 364 NH2 ARG X 22 95.445 -3.350 -11.948 1.00 1.00 N ATOM 0 H ARG X 22 90.171 -7.867 -9.538 1.00 1.00 H new ATOM 0 HA ARG X 22 93.081 -7.858 -9.767 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.960 -6.335 -8.267 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.534 -6.455 -7.504 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.358 -5.684 -10.437 1.00 1.00 H new ATOM 0 HG3 ARG X 22 92.039 -4.473 -9.211 1.00 1.00 H new ATOM 0 HD2 ARG X 22 94.261 -5.038 -8.127 1.00 1.00 H new ATOM 0 HD3 ARG X 22 94.583 -6.162 -9.432 1.00 1.00 H new ATOM 0 HE ARG X 22 94.592 -3.201 -9.609 1.00 1.00 H new ATOM 0 HH11 ARG X 22 94.593 -6.326 -11.201 1.00 1.00 H new ATOM 0 HH12 ARG X 22 95.276 -5.705 -12.708 1.00 1.00 H new ATOM 0 HH21 ARG X 22 95.475 -2.413 -11.547 1.00 1.00 H new ATOM 0 HH22 ARG X 22 95.771 -3.507 -12.902 1.00 1.00 H new ATOM 378 N GLY X 23 91.606 -9.892 -7.869 1.00 1.00 N ATOM 379 CA GLY X 23 91.775 -10.927 -6.850 1.00 1.00 C ATOM 380 C GLY X 23 90.738 -10.798 -5.742 1.00 1.00 C ATOM 381 O GLY X 23 90.955 -11.259 -4.620 1.00 1.00 O ATOM 0 H GLY X 23 90.771 -9.995 -8.446 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.693 -11.911 -7.313 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.775 -10.858 -6.423 1.00 1.00 H new ATOM 385 N VAL X 24 89.613 -10.169 -6.057 1.00 1.00 N ATOM 386 CA VAL X 24 88.552 -9.984 -5.073 1.00 1.00 C ATOM 387 C VAL X 24 87.430 -10.991 -5.302 1.00 1.00 C ATOM 388 O VAL X 24 86.973 -11.183 -6.424 1.00 1.00 O ATOM 389 CB VAL X 24 87.995 -8.565 -5.180 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.784 -8.414 -4.259 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.080 -7.576 -4.769 1.00 1.00 C ATOM 0 H VAL X 24 89.411 -9.781 -6.978 1.00 1.00 H new ATOM 0 HA VAL X 24 88.967 -10.141 -4.077 1.00 1.00 H new ATOM 0 HB VAL X 24 87.685 -8.368 -6.206 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.390 -7.401 -4.339 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.013 -9.127 -4.552 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.084 -8.607 -3.229 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.693 -6.560 -4.842 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.384 -7.776 -3.741 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.940 -7.684 -5.429 1.00 1.00 H new ATOM 401 N LYS X 25 86.994 -11.638 -4.225 1.00 1.00 N ATOM 402 CA LYS X 25 85.926 -12.627 -4.325 1.00 1.00 C ATOM 403 C LYS X 25 84.794 -12.287 -3.362 1.00 1.00 C ATOM 404 O LYS X 25 84.659 -12.903 -2.305 1.00 1.00 O ATOM 405 CB LYS X 25 86.475 -14.016 -4.001 1.00 1.00 C ATOM 406 CG LYS X 25 85.412 -15.069 -4.314 1.00 1.00 C ATOM 407 CD LYS X 25 85.983 -16.463 -4.050 1.00 1.00 C ATOM 408 CE LYS X 25 84.927 -17.518 -4.383 1.00 1.00 C ATOM 409 NZ LYS X 25 85.475 -18.875 -4.101 1.00 1.00 N ATOM 0 H LYS X 25 87.359 -11.498 -3.283 1.00 1.00 H new ATOM 0 HA LYS X 25 85.537 -12.618 -5.343 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.376 -14.208 -4.584 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.758 -14.071 -2.950 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.528 -14.904 -3.698 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.096 -14.985 -5.354 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.875 -16.623 -4.655 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.285 -16.552 -3.007 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.028 -17.347 -3.792 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.639 -17.441 -5.431 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.757 -19.593 -4.327 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.321 -19.036 -4.684 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.729 -18.945 -3.095 1.00 1.00 H new ATOM 423 N VAL X 26 83.980 -11.303 -3.738 1.00 1.00 N ATOM 424 CA VAL X 26 82.857 -10.888 -2.904 1.00 1.00 C ATOM 425 C VAL X 26 81.602 -10.705 -3.753 1.00 1.00 C ATOM 426 O VAL X 26 81.653 -10.106 -4.828 1.00 1.00 O ATOM 427 CB VAL X 26 83.193 -9.579 -2.187 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.393 -9.799 -1.263 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.534 -8.501 -3.219 1.00 1.00 C ATOM 0 H VAL X 26 84.077 -10.782 -4.609 1.00 1.00 H new ATOM 0 HA VAL X 26 82.669 -11.665 -2.163 1.00 1.00 H new ATOM 0 HB VAL X 26 82.334 -9.257 -1.599 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.634 -8.867 -0.751 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.150 -10.565 -0.527 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.251 -10.122 -1.852 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.773 -7.569 -2.706 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.393 -8.821 -3.809 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.679 -8.344 -3.877 1.00 1.00 H new ATOM 439 N LYS X 27 80.478 -11.225 -3.270 1.00 1.00 N ATOM 440 CA LYS X 27 79.221 -11.110 -3.998 1.00 1.00 C ATOM 441 C LYS X 27 78.865 -9.641 -4.212 1.00 1.00 C ATOM 442 O LYS X 27 79.285 -8.774 -3.447 1.00 1.00 O ATOM 443 CB LYS X 27 78.116 -11.787 -3.191 1.00 1.00 C ATOM 444 CG LYS X 27 78.482 -13.252 -2.966 1.00 1.00 C ATOM 445 CD LYS X 27 77.434 -13.901 -2.067 1.00 1.00 C ATOM 446 CE LYS X 27 77.860 -15.334 -1.744 1.00 1.00 C ATOM 447 NZ LYS X 27 76.852 -15.963 -0.845 1.00 1.00 N ATOM 0 H LYS X 27 80.412 -11.726 -2.384 1.00 1.00 H new ATOM 0 HA LYS X 27 79.324 -11.592 -4.970 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.987 -11.281 -2.234 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.166 -11.715 -3.721 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.534 -13.776 -3.920 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.468 -13.326 -2.507 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.322 -13.327 -1.147 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.463 -13.901 -2.563 1.00 1.00 H new ATOM 0 HE2 LYS X 27 77.954 -15.912 -2.663 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.839 -15.334 -1.266 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.142 -16.937 -0.626 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.783 -15.416 0.037 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 75.926 -15.976 -1.317 1.00 1.00 H new ATOM 461 N TYR X 28 78.085 -9.369 -5.253 1.00 1.00 N ATOM 462 CA TYR X 28 77.673 -8.002 -5.555 1.00 1.00 C ATOM 463 C TYR X 28 76.896 -7.400 -4.392 1.00 1.00 C ATOM 464 O TYR X 28 77.145 -6.267 -3.983 1.00 1.00 O ATOM 465 CB TYR X 28 76.799 -7.999 -6.807 1.00 1.00 C ATOM 466 CG TYR X 28 75.483 -7.322 -6.508 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.400 -5.927 -6.430 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.339 -8.104 -6.306 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.173 -5.313 -6.149 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.113 -7.490 -6.026 1.00 1.00 C ATOM 471 CZ TYR X 28 73.030 -6.095 -5.947 1.00 1.00 C ATOM 472 OH TYR X 28 71.820 -5.491 -5.672 1.00 1.00 O ATOM 0 H TYR X 28 77.727 -10.072 -5.899 1.00 1.00 H new ATOM 0 HA TYR X 28 78.566 -7.400 -5.723 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.310 -7.480 -7.618 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.625 -9.021 -7.143 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.282 -5.324 -6.587 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.403 -9.180 -6.366 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.109 -4.237 -6.088 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.230 -8.093 -5.871 1.00 1.00 H new ATOM 0 HH TYR X 28 71.130 -6.177 -5.560 1.00 1.00 H new ATOM 482 N ALA X 29 75.954 -8.165 -3.870 1.00 1.00 N ATOM 483 CA ALA X 29 75.138 -7.704 -2.756 1.00 1.00 C ATOM 484 C ALA X 29 76.019 -7.267 -1.590 1.00 1.00 C ATOM 485 O ALA X 29 75.683 -6.334 -0.872 1.00 1.00 O ATOM 486 CB ALA X 29 74.205 -8.823 -2.288 1.00 1.00 C ATOM 0 H ALA X 29 75.734 -9.106 -4.197 1.00 1.00 H new ATOM 0 HA ALA X 29 74.548 -6.853 -3.097 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.599 -8.467 -1.454 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.553 -9.120 -3.109 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.797 -9.680 -1.966 1.00 1.00 H new ATOM 492 N ASP X 30 77.141 -7.948 -1.400 1.00 1.00 N ATOM 493 CA ASP X 30 78.042 -7.611 -0.302 1.00 1.00 C ATOM 494 C ASP X 30 78.477 -6.150 -0.384 1.00 1.00 C ATOM 495 O ASP X 30 78.364 -5.403 0.586 1.00 1.00 O ATOM 496 CB ASP X 30 79.277 -8.510 -0.359 1.00 1.00 C ATOM 497 CG ASP X 30 80.120 -8.330 0.899 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.918 -7.347 1.592 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.954 -9.184 1.151 1.00 1.00 O ATOM 0 H ASP X 30 77.448 -8.727 -1.982 1.00 1.00 H new ATOM 0 HA ASP X 30 77.512 -7.765 0.638 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.973 -9.552 -0.455 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.871 -8.269 -1.241 1.00 1.00 H new ATOM 504 N LEU X 31 78.974 -5.755 -1.548 1.00 1.00 N ATOM 505 CA LEU X 31 79.425 -4.385 -1.758 1.00 1.00 C ATOM 506 C LEU X 31 78.253 -3.415 -1.657 1.00 1.00 C ATOM 507 O LEU X 31 78.383 -2.335 -1.085 1.00 1.00 O ATOM 508 CB LEU X 31 80.080 -4.243 -3.139 1.00 1.00 C ATOM 509 CG LEU X 31 81.352 -5.096 -3.215 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.943 -5.012 -4.624 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.387 -4.593 -2.200 1.00 1.00 C ATOM 0 H LEU X 31 79.075 -6.363 -2.361 1.00 1.00 H new ATOM 0 HA LEU X 31 80.156 -4.148 -0.985 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.380 -4.552 -3.915 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.323 -3.197 -3.328 1.00 1.00 H new ATOM 0 HG LEU X 31 81.097 -6.130 -2.984 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.847 -5.619 -4.676 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.215 -5.382 -5.346 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.188 -3.975 -4.854 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.286 -5.206 -2.263 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.639 -3.556 -2.421 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.972 -4.659 -1.194 1.00 1.00 H new ATOM 523 N LEU X 32 77.113 -3.803 -2.222 1.00 1.00 N ATOM 524 CA LEU X 32 75.933 -2.946 -2.187 1.00 1.00 C ATOM 525 C LEU X 32 75.512 -2.704 -0.747 1.00 1.00 C ATOM 526 O LEU X 32 75.249 -1.569 -0.348 1.00 1.00 O ATOM 527 CB LEU X 32 74.786 -3.614 -2.960 1.00 1.00 C ATOM 528 CG LEU X 32 73.515 -2.754 -2.876 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.787 -1.369 -3.465 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.393 -3.429 -3.668 1.00 1.00 C ATOM 0 H LEU X 32 76.982 -4.693 -2.703 1.00 1.00 H new ATOM 0 HA LEU X 32 76.171 -1.990 -2.653 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.072 -3.751 -4.003 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.591 -4.605 -2.550 1.00 1.00 H new ATOM 0 HG LEU X 32 73.219 -2.650 -1.832 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.883 -0.763 -3.403 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.587 -0.886 -2.904 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.086 -1.470 -4.508 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.490 -2.821 -3.610 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.695 -3.532 -4.710 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.194 -4.415 -3.248 1.00 1.00 H new ATOM 542 N LYS X 33 75.463 -3.773 0.030 1.00 1.00 N ATOM 543 CA LYS X 33 75.087 -3.666 1.429 1.00 1.00 C ATOM 544 C LYS X 33 76.125 -2.858 2.187 1.00 1.00 C ATOM 545 O LYS X 33 75.782 -2.015 3.016 1.00 1.00 O ATOM 546 CB LYS X 33 74.970 -5.055 2.049 1.00 1.00 C ATOM 547 CG LYS X 33 73.760 -5.773 1.452 1.00 1.00 C ATOM 548 CD LYS X 33 73.711 -7.210 1.970 1.00 1.00 C ATOM 549 CE LYS X 33 72.638 -7.988 1.206 1.00 1.00 C ATOM 550 NZ LYS X 33 71.314 -7.328 1.387 1.00 1.00 N ATOM 0 H LYS X 33 75.678 -4.720 -0.282 1.00 1.00 H new ATOM 0 HA LYS X 33 74.122 -3.163 1.493 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.878 -5.628 1.860 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.863 -4.975 3.131 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.844 -5.247 1.720 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.823 -5.770 0.364 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.682 -7.688 1.843 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.490 -7.216 3.037 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.892 -8.032 0.147 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.595 -9.016 1.566 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.558 -7.979 1.091 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.184 -7.079 2.388 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.274 -6.465 0.808 1.00 1.00 H new ATOM 564 N PHE X 34 77.405 -3.119 1.910 1.00 1.00 N ATOM 565 CA PHE X 34 78.454 -2.399 2.596 1.00 1.00 C ATOM 566 C PHE X 34 78.374 -0.904 2.296 1.00 1.00 C ATOM 567 O PHE X 34 78.516 -0.068 3.190 1.00 1.00 O ATOM 568 CB PHE X 34 79.839 -2.932 2.200 1.00 1.00 C ATOM 569 CG PHE X 34 80.946 -2.106 2.863 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.731 -1.445 4.079 1.00 1.00 C ATOM 571 CD2 PHE X 34 82.184 -2.003 2.220 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.755 -0.683 4.651 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.209 -1.241 2.792 1.00 1.00 C ATOM 574 CZ PHE X 34 82.994 -0.580 4.008 1.00 1.00 C ATOM 0 H PHE X 34 77.725 -3.809 1.230 1.00 1.00 H new ATOM 0 HA PHE X 34 78.312 -2.553 3.666 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.931 -3.977 2.497 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.952 -2.897 1.116 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.775 -1.524 4.575 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.349 -2.512 1.282 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.590 -0.174 5.589 1.00 1.00 H new ATOM 0 HE2 PHE X 34 84.165 -1.163 2.296 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.784 0.009 4.449 1.00 1.00 H new ATOM 584 N PHE X 35 78.149 -0.575 1.028 1.00 1.00 N ATOM 585 CA PHE X 35 78.055 0.819 0.612 1.00 1.00 C ATOM 586 C PHE X 35 76.901 1.504 1.323 1.00 1.00 C ATOM 587 O PHE X 35 77.007 2.655 1.738 1.00 1.00 O ATOM 588 CB PHE X 35 77.865 0.909 -0.908 1.00 1.00 C ATOM 589 CG PHE X 35 79.205 1.095 -1.585 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.959 2.247 -1.324 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.691 0.127 -2.471 1.00 1.00 C ATOM 592 CE1 PHE X 35 81.197 2.430 -1.950 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.930 0.311 -3.097 1.00 1.00 C ATOM 594 CZ PHE X 35 81.683 1.462 -2.837 1.00 1.00 C ATOM 0 H PHE X 35 78.029 -1.251 0.274 1.00 1.00 H new ATOM 0 HA PHE X 35 78.983 1.325 0.880 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.384 0.003 -1.277 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.206 1.742 -1.152 1.00 1.00 H new ATOM 0 HD1 PHE X 35 79.585 2.994 -0.640 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.111 -0.762 -2.672 1.00 1.00 H new ATOM 0 HE1 PHE X 35 81.778 3.318 -1.749 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.305 -0.436 -3.781 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.638 1.603 -3.320 1.00 1.00 H new ATOM 604 N ASP X 36 75.798 0.792 1.463 1.00 1.00 N ATOM 605 CA ASP X 36 74.636 1.346 2.133 1.00 1.00 C ATOM 606 C ASP X 36 74.876 1.444 3.641 1.00 1.00 C ATOM 607 O ASP X 36 74.257 2.262 4.323 1.00 1.00 O ATOM 608 CB ASP X 36 73.417 0.472 1.855 1.00 1.00 C ATOM 609 CG ASP X 36 72.954 0.659 0.413 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.334 1.651 -0.187 1.00 1.00 O ATOM 611 OD2 ASP X 36 72.225 -0.193 -0.070 1.00 1.00 O ATOM 0 H ASP X 36 75.682 -0.163 1.125 1.00 1.00 H new ATOM 0 HA ASP X 36 74.457 2.350 1.748 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.663 -0.575 2.033 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.610 0.731 2.540 1.00 1.00 H new ATOM 616 N PHE X 37 75.766 0.598 4.157 1.00 1.00 N ATOM 617 CA PHE X 37 76.065 0.594 5.588 1.00 1.00 C ATOM 618 C PHE X 37 76.677 1.922 6.031 1.00 1.00 C ATOM 619 O PHE X 37 76.193 2.560 6.973 1.00 1.00 O ATOM 620 CB PHE X 37 77.052 -0.532 5.896 1.00 1.00 C ATOM 621 CG PHE X 37 77.194 -0.687 7.388 1.00 1.00 C ATOM 622 CD1 PHE X 37 78.071 0.137 8.102 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.441 -1.657 8.060 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.197 -0.009 9.488 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.567 -1.804 9.447 1.00 1.00 C ATOM 626 CZ PHE X 37 77.446 -0.980 10.161 1.00 1.00 C ATOM 0 H PHE X 37 76.288 -0.088 3.612 1.00 1.00 H new ATOM 0 HA PHE X 37 75.131 0.444 6.129 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.703 -1.466 5.455 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.022 -0.311 5.449 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.651 0.886 7.583 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.763 -2.292 7.509 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.874 0.628 10.039 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.987 -2.553 9.966 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.544 -1.094 11.230 1.00 1.00 H new ATOM 636 N VAL X 38 77.742 2.337 5.345 1.00 1.00 N ATOM 637 CA VAL X 38 78.403 3.595 5.685 1.00 1.00 C ATOM 638 C VAL X 38 77.499 4.768 5.358 1.00 1.00 C ATOM 639 O VAL X 38 77.472 5.756 6.073 1.00 1.00 O ATOM 640 CB VAL X 38 79.731 3.750 4.927 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.460 3.849 3.429 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.446 5.030 5.384 1.00 1.00 C ATOM 0 H VAL X 38 78.159 1.830 4.564 1.00 1.00 H new ATOM 0 HA VAL X 38 78.612 3.580 6.755 1.00 1.00 H new ATOM 0 HB VAL X 38 80.358 2.883 5.135 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.404 3.959 2.895 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.954 2.945 3.090 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.828 4.714 3.230 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.387 5.134 4.843 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.813 5.893 5.180 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.647 4.972 6.454 1.00 1.00 H new ATOM 652 N LYS X 39 76.772 4.664 4.258 1.00 1.00 N ATOM 653 CA LYS X 39 75.884 5.747 3.855 1.00 1.00 C ATOM 654 C LYS X 39 74.781 5.956 4.885 1.00 1.00 C ATOM 655 O LYS X 39 74.370 7.087 5.146 1.00 1.00 O ATOM 656 CB LYS X 39 75.275 5.460 2.486 1.00 1.00 C ATOM 657 CG LYS X 39 76.349 5.619 1.410 1.00 1.00 C ATOM 658 CD LYS X 39 75.769 5.226 0.049 1.00 1.00 C ATOM 659 CE LYS X 39 76.859 5.321 -1.019 1.00 1.00 C ATOM 660 NZ LYS X 39 77.229 6.750 -1.226 1.00 1.00 N ATOM 0 H LYS X 39 76.776 3.856 3.636 1.00 1.00 H new ATOM 0 HA LYS X 39 76.475 6.661 3.791 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.867 4.450 2.462 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.447 6.143 2.293 1.00 1.00 H new ATOM 0 HG2 LYS X 39 76.702 6.650 1.383 1.00 1.00 H new ATOM 0 HG3 LYS X 39 77.210 4.993 1.645 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.373 4.211 0.090 1.00 1.00 H new ATOM 0 HD3 LYS X 39 74.937 5.882 -0.206 1.00 1.00 H new ATOM 0 HE2 LYS X 39 77.734 4.748 -0.712 1.00 1.00 H new ATOM 0 HE3 LYS X 39 76.506 4.887 -1.954 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 77.770 6.844 -2.109 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.366 7.327 -1.286 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 77.810 7.077 -0.428 1.00 1.00 H new ATOM 674 N ASP X 40 74.291 4.861 5.454 1.00 1.00 N ATOM 675 CA ASP X 40 73.224 4.937 6.443 1.00 1.00 C ATOM 676 C ASP X 40 73.663 5.715 7.684 1.00 1.00 C ATOM 677 O ASP X 40 72.949 6.604 8.152 1.00 1.00 O ATOM 678 CB ASP X 40 72.805 3.525 6.857 1.00 1.00 C ATOM 679 CG ASP X 40 72.074 2.841 5.706 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.790 3.510 4.728 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.829 1.650 5.812 1.00 1.00 O ATOM 0 H ASP X 40 74.614 3.915 5.249 1.00 1.00 H new ATOM 0 HA ASP X 40 72.384 5.462 5.989 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.683 2.944 7.138 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.159 3.570 7.734 1.00 1.00 H new ATOM 836 N ILE X 51 94.970 7.185 -2.354 1.00 1.00 N ATOM 837 CA ILE X 51 94.150 6.339 -1.491 1.00 1.00 C ATOM 838 C ILE X 51 93.506 7.176 -0.389 1.00 1.00 C ATOM 839 O ILE X 51 94.185 7.645 0.526 1.00 1.00 O ATOM 840 CB ILE X 51 95.019 5.232 -0.858 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.875 4.526 -1.925 1.00 1.00 C ATOM 842 CG2 ILE X 51 94.119 4.192 -0.194 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.844 3.559 -1.241 1.00 1.00 C ATOM 0 HA ILE X 51 93.366 5.881 -2.095 1.00 1.00 H new ATOM 0 HB ILE X 51 95.675 5.697 -0.122 1.00 1.00 H new ATOM 0 HG12 ILE X 51 95.234 3.985 -2.621 1.00 1.00 H new ATOM 0 HG13 ILE X 51 96.429 5.262 -2.508 1.00 1.00 H new ATOM 0 HG21 ILE X 51 94.734 3.411 0.253 1.00 1.00 H new ATOM 0 HG22 ILE X 51 93.521 4.671 0.581 1.00 1.00 H new ATOM 0 HG23 ILE X 51 93.459 3.751 -0.941 1.00 1.00 H new ATOM 0 HD11 ILE X 51 97.451 3.058 -1.995 1.00 1.00 H new ATOM 0 HD12 ILE X 51 97.493 4.113 -0.562 1.00 1.00 H new ATOM 0 HD13 ILE X 51 96.279 2.816 -0.678 1.00 1.00 H new ATOM 855 N ASP X 52 92.187 7.363 -0.487 1.00 1.00 N ATOM 856 CA ASP X 52 91.461 8.151 0.507 1.00 1.00 C ATOM 857 C ASP X 52 90.253 7.382 1.027 1.00 1.00 C ATOM 858 O ASP X 52 89.613 7.786 1.999 1.00 1.00 O ATOM 859 CB ASP X 52 91.012 9.460 -0.133 1.00 1.00 C ATOM 860 CG ASP X 52 90.420 10.377 0.929 1.00 1.00 C ATOM 861 OD1 ASP X 52 90.420 9.976 2.082 1.00 1.00 O ATOM 862 OD2 ASP X 52 89.975 11.459 0.583 1.00 1.00 O ATOM 0 H ASP X 52 91.608 6.984 -1.236 1.00 1.00 H new ATOM 0 HA ASP X 52 92.119 8.357 1.351 1.00 1.00 H new ATOM 0 HB2 ASP X 52 91.858 9.948 -0.617 1.00 1.00 H new ATOM 0 HB3 ASP X 52 90.272 9.261 -0.908 1.00 1.00 H new ATOM 867 N ILE X 53 89.958 6.270 0.384 1.00 1.00 N ATOM 868 CA ILE X 53 88.837 5.437 0.785 1.00 1.00 C ATOM 869 C ILE X 53 89.100 4.803 2.145 1.00 1.00 C ATOM 870 O ILE X 53 88.185 4.300 2.798 1.00 1.00 O ATOM 871 CB ILE X 53 88.605 4.374 -0.269 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.203 5.051 -1.548 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.447 3.487 0.154 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.321 4.067 -2.709 1.00 1.00 C ATOM 0 H ILE X 53 90.479 5.920 -0.420 1.00 1.00 H new ATOM 0 HA ILE X 53 87.942 6.053 0.874 1.00 1.00 H new ATOM 0 HB ILE X 53 89.513 3.785 -0.396 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.179 5.417 -1.471 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.839 5.918 -1.727 1.00 1.00 H new ATOM 0 HG21 ILE X 53 87.279 2.722 -0.604 1.00 1.00 H new ATOM 0 HG22 ILE X 53 87.683 3.010 1.105 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.547 4.092 0.264 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.029 4.561 -3.636 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.352 3.723 -2.791 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.667 3.214 -2.531 1.00 1.00 H new ATOM 886 N LYS X 54 90.352 4.834 2.568 1.00 1.00 N ATOM 887 CA LYS X 54 90.730 4.253 3.840 1.00 1.00 C ATOM 888 C LYS X 54 89.750 4.687 4.921 1.00 1.00 C ATOM 889 O LYS X 54 89.474 3.935 5.856 1.00 1.00 O ATOM 890 CB LYS X 54 92.130 4.725 4.219 1.00 1.00 C ATOM 891 CG LYS X 54 93.026 4.753 2.982 1.00 1.00 C ATOM 892 CD LYS X 54 94.492 4.877 3.410 1.00 1.00 C ATOM 893 CE LYS X 54 94.726 6.228 4.093 1.00 1.00 C ATOM 894 NZ LYS X 54 96.190 6.484 4.192 1.00 1.00 N ATOM 0 H LYS X 54 91.122 5.255 2.048 1.00 1.00 H new ATOM 0 HA LYS X 54 90.716 3.167 3.752 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.079 5.719 4.664 1.00 1.00 H new ATOM 0 HB3 LYS X 54 92.555 4.060 4.971 1.00 1.00 H new ATOM 0 HG2 LYS X 54 92.883 3.844 2.397 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.752 5.591 2.341 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.750 4.066 4.091 1.00 1.00 H new ATOM 0 HD3 LYS X 54 95.143 4.782 2.541 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.244 7.024 3.525 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.277 6.229 5.086 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.352 7.401 4.655 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.637 5.730 4.751 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.605 6.500 3.238 1.00 1.00 H new ATOM 908 N ARG X 55 89.212 5.894 4.788 1.00 1.00 N ATOM 909 CA ARG X 55 88.250 6.384 5.764 1.00 1.00 C ATOM 910 C ARG X 55 86.978 5.545 5.732 1.00 1.00 C ATOM 911 O ARG X 55 86.395 5.251 6.779 1.00 1.00 O ATOM 912 CB ARG X 55 87.892 7.850 5.500 1.00 1.00 C ATOM 913 CG ARG X 55 89.078 8.756 5.853 1.00 1.00 C ATOM 914 CD ARG X 55 88.594 10.204 5.953 1.00 1.00 C ATOM 915 NE ARG X 55 88.125 10.680 4.658 1.00 1.00 N ATOM 916 CZ ARG X 55 88.953 11.250 3.790 1.00 1.00 C ATOM 917 NH1 ARG X 55 90.217 11.388 4.088 1.00 1.00 N ATOM 918 NH2 ARG X 55 88.506 11.670 2.639 1.00 1.00 N ATOM 0 H ARG X 55 89.422 6.541 4.027 1.00 1.00 H new ATOM 0 HA ARG X 55 88.714 6.305 6.747 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.622 7.983 4.452 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.021 8.132 6.092 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.522 8.442 6.798 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.854 8.671 5.093 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.790 10.274 6.685 1.00 1.00 H new ATOM 0 HD3 ARG X 55 89.405 10.840 6.308 1.00 1.00 H new ATOM 0 HE ARG X 55 87.141 10.573 4.413 1.00 1.00 H new ATOM 0 HH11 ARG X 55 90.568 11.058 4.987 1.00 1.00 H new ATOM 0 HH12 ARG X 55 90.853 11.826 3.422 1.00 1.00 H new ATOM 0 HH21 ARG X 55 87.519 11.561 2.404 1.00 1.00 H new ATOM 0 HH22 ARG X 55 89.143 12.108 1.973 1.00 1.00 H new ATOM 932 N TRP X 56 86.540 5.164 4.531 1.00 1.00 N ATOM 933 CA TRP X 56 85.320 4.368 4.422 1.00 1.00 C ATOM 934 C TRP X 56 85.494 3.030 5.134 1.00 1.00 C ATOM 935 O TRP X 56 84.668 2.633 5.959 1.00 1.00 O ATOM 936 CB TRP X 56 84.965 4.128 2.950 1.00 1.00 C ATOM 937 CG TRP X 56 83.825 3.151 2.841 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.889 2.933 3.792 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.483 2.284 1.722 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.993 1.985 3.329 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.317 1.554 2.058 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.065 2.060 0.461 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.749 0.636 1.174 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.495 1.136 -0.430 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.339 0.427 -0.074 1.00 1.00 C ATOM 0 H TRP X 56 86.996 5.386 3.646 1.00 1.00 H new ATOM 0 HA TRP X 56 84.509 4.921 4.896 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.692 5.071 2.476 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.835 3.744 2.417 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.847 3.419 4.756 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.192 1.646 3.861 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.955 2.602 0.176 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.859 0.091 1.453 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.950 0.971 -1.395 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.905 -0.281 -0.765 1.00 1.00 H new ATOM 956 N ARG X 57 86.577 2.342 4.813 1.00 1.00 N ATOM 957 CA ARG X 57 86.847 1.043 5.429 1.00 1.00 C ATOM 958 C ARG X 57 87.044 1.181 6.931 1.00 1.00 C ATOM 959 O ARG X 57 86.631 0.318 7.697 1.00 1.00 O ATOM 960 CB ARG X 57 88.096 0.429 4.824 1.00 1.00 C ATOM 961 CG ARG X 57 87.882 0.250 3.332 1.00 1.00 C ATOM 962 CD ARG X 57 88.977 1.006 2.598 1.00 1.00 C ATOM 963 NE ARG X 57 88.821 0.846 1.167 1.00 1.00 N ATOM 964 CZ ARG X 57 89.649 1.446 0.317 1.00 1.00 C ATOM 965 NH1 ARG X 57 90.628 2.180 0.769 1.00 1.00 N ATOM 966 NH2 ARG X 57 89.480 1.302 -0.968 1.00 1.00 N ATOM 0 H ARG X 57 87.278 2.651 4.140 1.00 1.00 H new ATOM 0 HA ARG X 57 85.987 0.400 5.241 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.958 1.070 5.007 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.309 -0.532 5.292 1.00 1.00 H new ATOM 0 HG2 ARG X 57 87.909 -0.807 3.069 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.901 0.626 3.041 1.00 1.00 H new ATOM 0 HD2 ARG X 57 88.937 2.063 2.860 1.00 1.00 H new ATOM 0 HD3 ARG X 57 89.955 0.637 2.908 1.00 1.00 H new ATOM 0 HE ARG X 57 88.065 0.264 0.806 1.00 1.00 H new ATOM 0 HH11 ARG X 57 90.758 2.294 1.774 1.00 1.00 H new ATOM 0 HH12 ARG X 57 91.263 2.640 0.117 1.00 1.00 H new ATOM 0 HH21 ARG X 57 88.713 0.729 -1.321 1.00 1.00 H new ATOM 0 HH22 ARG X 57 90.115 1.762 -1.621 1.00 1.00 H new ATOM 980 N ARG X 58 87.683 2.267 7.349 1.00 1.00 N ATOM 981 CA ARG X 58 87.928 2.491 8.770 1.00 1.00 C ATOM 982 C ARG X 58 86.622 2.414 9.552 1.00 1.00 C ATOM 983 O ARG X 58 86.570 1.824 10.630 1.00 1.00 O ATOM 984 CB ARG X 58 88.571 3.863 8.988 1.00 1.00 C ATOM 985 CG ARG X 58 90.096 3.738 8.935 1.00 1.00 C ATOM 986 CD ARG X 58 90.727 5.118 9.139 1.00 1.00 C ATOM 987 NE ARG X 58 92.181 5.004 9.195 1.00 1.00 N ATOM 988 CZ ARG X 58 92.950 6.068 9.409 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.406 7.245 9.560 1.00 1.00 N ATOM 990 NH2 ARG X 58 94.246 5.935 9.468 1.00 1.00 N ATOM 0 H ARG X 58 88.038 2.999 6.733 1.00 1.00 H new ATOM 0 HA ARG X 58 88.606 1.715 9.127 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.228 4.561 8.224 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.264 4.269 9.952 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.442 3.050 9.706 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.405 3.323 7.976 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.438 5.782 8.324 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.354 5.564 10.061 1.00 1.00 H new ATOM 0 HE ARG X 58 92.616 4.090 9.068 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.392 7.348 9.514 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.995 8.062 9.724 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.670 5.015 9.350 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.835 6.751 9.632 1.00 1.00 H new ATOM 1004 N VAL X 59 85.569 3.002 9.000 1.00 1.00 N ATOM 1005 CA VAL X 59 84.265 2.979 9.656 1.00 1.00 C ATOM 1006 C VAL X 59 83.749 1.548 9.730 1.00 1.00 C ATOM 1007 O VAL X 59 83.227 1.120 10.758 1.00 1.00 O ATOM 1008 CB VAL X 59 83.271 3.848 8.873 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.901 3.826 9.554 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.782 5.289 8.817 1.00 1.00 C ATOM 0 H VAL X 59 85.589 3.497 8.108 1.00 1.00 H new ATOM 0 HA VAL X 59 84.368 3.376 10.666 1.00 1.00 H new ATOM 0 HB VAL X 59 83.176 3.450 7.863 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.204 4.446 8.990 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.529 2.802 9.590 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.993 4.214 10.568 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.075 5.904 8.261 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.884 5.679 9.830 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.752 5.312 8.320 1.00 1.00 H new ATOM 1020 N GLY X 60 83.894 0.812 8.631 1.00 1.00 N ATOM 1021 CA GLY X 60 83.429 -0.566 8.597 1.00 1.00 C ATOM 1022 C GLY X 60 84.227 -1.441 9.555 1.00 1.00 C ATOM 1023 O GLY X 60 83.662 -2.140 10.369 1.00 1.00 O ATOM 0 H GLY X 60 84.323 1.142 7.767 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.372 -0.602 8.862 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.517 -0.957 7.584 1.00 1.00 H new ATOM 1027 N ASP X 61 85.540 -1.392 9.475 1.00 1.00 N ATOM 1028 CA ASP X 61 86.358 -2.197 10.364 1.00 1.00 C ATOM 1029 C ASP X 61 85.918 -2.004 11.813 1.00 1.00 C ATOM 1030 O ASP X 61 85.841 -2.963 12.582 1.00 1.00 O ATOM 1031 CB ASP X 61 87.824 -1.795 10.208 1.00 1.00 C ATOM 1032 CG ASP X 61 88.319 -2.173 8.817 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.702 -3.025 8.200 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.303 -1.596 8.382 1.00 1.00 O ATOM 0 H ASP X 61 86.060 -0.813 8.815 1.00 1.00 H new ATOM 0 HA ASP X 61 86.238 -3.248 10.103 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.935 -0.722 10.364 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.429 -2.291 10.967 1.00 1.00 H new ATOM 1039 N CYS X 62 85.628 -0.759 12.182 1.00 1.00 N ATOM 1040 CA CYS X 62 85.200 -0.464 13.552 1.00 1.00 C ATOM 1041 C CYS X 62 83.779 -0.965 13.821 1.00 1.00 C ATOM 1042 O CYS X 62 83.539 -1.748 14.753 1.00 1.00 O ATOM 1043 CB CYS X 62 85.258 1.043 13.798 1.00 1.00 C ATOM 1044 SG CYS X 62 86.962 1.619 13.604 1.00 1.00 S ATOM 0 H CYS X 62 85.679 0.052 11.565 1.00 1.00 H new ATOM 0 HA CYS X 62 85.878 -0.982 14.230 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.605 1.562 13.097 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.897 1.273 14.800 1.00 1.00 H new ATOM 0 HG CYS X 62 87.206 1.837 12.346 1.00 1.00 H new ATOM 1050 N PHE X 63 82.837 -0.508 13.004 1.00 1.00 N ATOM 1051 CA PHE X 63 81.450 -0.907 13.175 1.00 1.00 C ATOM 1052 C PHE X 63 81.297 -2.415 13.042 1.00 1.00 C ATOM 1053 O PHE X 63 80.645 -3.051 13.861 1.00 1.00 O ATOM 1054 CB PHE X 63 80.570 -0.209 12.143 1.00 1.00 C ATOM 1055 CG PHE X 63 79.993 1.048 12.746 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.838 0.976 13.533 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.609 2.285 12.518 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.297 2.142 14.090 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.069 3.450 13.076 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.913 3.378 13.861 1.00 1.00 C ATOM 0 H PHE X 63 83.007 0.131 12.227 1.00 1.00 H new ATOM 0 HA PHE X 63 81.136 -0.613 14.176 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.154 0.035 11.256 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.768 -0.874 11.823 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.364 0.022 13.711 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.501 2.340 11.912 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.405 2.087 14.696 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.544 4.404 12.901 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.496 4.277 14.291 1.00 1.00 H new ATOM 1070 N GLN X 64 81.911 -2.976 12.010 1.00 1.00 N ATOM 1071 CA GLN X 64 81.849 -4.413 11.767 1.00 1.00 C ATOM 1072 C GLN X 64 82.374 -5.182 12.967 1.00 1.00 C ATOM 1073 O GLN X 64 81.900 -6.270 13.261 1.00 1.00 O ATOM 1074 CB GLN X 64 82.669 -4.785 10.535 1.00 1.00 C ATOM 1075 CG GLN X 64 82.014 -4.195 9.286 1.00 1.00 C ATOM 1076 CD GLN X 64 82.891 -4.452 8.064 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.885 -5.173 8.155 1.00 1.00 O ATOM 1078 NE2 GLN X 64 82.584 -3.900 6.922 1.00 1.00 N ATOM 0 H GLN X 64 82.460 -2.457 11.325 1.00 1.00 H new ATOM 0 HA GLN X 64 80.805 -4.678 11.599 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.687 -4.409 10.636 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.737 -5.869 10.445 1.00 1.00 H new ATOM 0 HG2 GLN X 64 81.030 -4.640 9.137 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.863 -3.123 9.416 1.00 1.00 H new ATOM 0 HE21 GLN X 64 81.760 -3.303 6.849 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.168 -4.065 6.102 1.00 1.00 H new ATOM 1087 N ASP X 65 83.360 -4.622 13.655 1.00 1.00 N ATOM 1088 CA ASP X 65 83.917 -5.301 14.816 1.00 1.00 C ATOM 1089 C ASP X 65 82.819 -5.569 15.840 1.00 1.00 C ATOM 1090 O ASP X 65 82.666 -6.695 16.319 1.00 1.00 O ATOM 1091 CB ASP X 65 85.005 -4.434 15.451 1.00 1.00 C ATOM 1092 CG ASP X 65 85.730 -5.208 16.548 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.211 -6.224 16.980 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.800 -4.769 16.938 1.00 1.00 O ATOM 0 H ASP X 65 83.783 -3.720 13.436 1.00 1.00 H new ATOM 0 HA ASP X 65 84.349 -6.249 14.496 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.717 -4.117 14.689 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.561 -3.530 15.868 1.00 1.00 H new ATOM 1099 N TYR X 66 82.046 -4.534 16.164 1.00 1.00 N ATOM 1100 CA TYR X 66 80.958 -4.691 17.132 1.00 1.00 C ATOM 1101 C TYR X 66 79.751 -5.392 16.510 1.00 1.00 C ATOM 1102 O TYR X 66 79.149 -6.270 17.126 1.00 1.00 O ATOM 1103 CB TYR X 66 80.538 -3.325 17.678 1.00 1.00 C ATOM 1104 CG TYR X 66 81.647 -2.764 18.536 1.00 1.00 C ATOM 1105 CD1 TYR X 66 81.705 -3.084 19.898 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.614 -1.924 17.972 1.00 1.00 C ATOM 1107 CE1 TYR X 66 82.732 -2.563 20.696 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.639 -1.403 18.770 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.699 -1.723 20.131 1.00 1.00 C ATOM 1110 OH TYR X 66 84.710 -1.210 20.918 1.00 1.00 O ATOM 0 H TYR X 66 82.148 -3.594 15.780 1.00 1.00 H new ATOM 0 HA TYR X 66 81.327 -5.312 17.948 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.320 -2.644 16.855 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.624 -3.421 18.263 1.00 1.00 H new ATOM 0 HD1 TYR X 66 80.959 -3.732 20.333 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.569 -1.678 16.921 1.00 1.00 H new ATOM 0 HE1 TYR X 66 82.778 -2.809 21.747 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.384 -0.753 18.335 1.00 1.00 H new ATOM 0 HH TYR X 66 85.297 -0.647 20.371 1.00 1.00 H new ATOM 1120 N TYR X 67 79.404 -5.000 15.290 1.00 1.00 N ATOM 1121 CA TYR X 67 78.267 -5.590 14.589 1.00 1.00 C ATOM 1122 C TYR X 67 78.456 -7.094 14.410 1.00 1.00 C ATOM 1123 O TYR X 67 77.537 -7.875 14.649 1.00 1.00 O ATOM 1124 CB TYR X 67 78.112 -4.918 13.223 1.00 1.00 C ATOM 1125 CG TYR X 67 77.037 -3.860 13.293 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.029 -2.936 14.343 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.046 -3.806 12.305 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.030 -1.956 14.406 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.048 -2.827 12.367 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.040 -1.902 13.418 1.00 1.00 C ATOM 1131 OH TYR X 67 74.056 -0.937 13.480 1.00 1.00 O ATOM 0 H TYR X 67 79.893 -4.276 14.764 1.00 1.00 H new ATOM 0 HA TYR X 67 77.368 -5.430 15.184 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.058 -4.469 12.919 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.855 -5.662 12.469 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.793 -2.978 15.105 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.052 -4.520 11.495 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.024 -1.242 15.217 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.284 -2.785 11.604 1.00 1.00 H new ATOM 0 HH TYR X 67 73.449 -1.039 12.717 1.00 1.00 H new ATOM 1141 N ASN X 68 79.650 -7.494 13.996 1.00 1.00 N ATOM 1142 CA ASN X 68 79.942 -8.904 13.796 1.00 1.00 C ATOM 1143 C ASN X 68 79.848 -9.651 15.120 1.00 1.00 C ATOM 1144 O ASN X 68 79.298 -10.751 15.185 1.00 1.00 O ATOM 1145 CB ASN X 68 81.344 -9.061 13.210 1.00 1.00 C ATOM 1146 CG ASN X 68 81.384 -8.521 11.781 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.461 -8.267 11.243 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.266 -8.330 11.133 1.00 1.00 N ATOM 0 H ASN X 68 80.427 -6.865 13.793 1.00 1.00 H new ATOM 0 HA ASN X 68 79.213 -9.323 13.103 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.066 -8.527 13.828 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.633 -10.112 13.217 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.285 -7.970 10.179 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.374 -8.541 11.581 1.00 1.00 H new ATOM 1155 N THR X 69 80.378 -9.044 16.179 1.00 1.00 N ATOM 1156 CA THR X 69 80.336 -9.668 17.496 1.00 1.00 C ATOM 1157 C THR X 69 78.892 -9.808 17.970 1.00 1.00 C ATOM 1158 O THR X 69 78.487 -10.867 18.452 1.00 1.00 O ATOM 1159 CB THR X 69 81.125 -8.829 18.500 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.482 -8.748 18.082 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.054 -9.487 19.880 1.00 1.00 C ATOM 0 H THR X 69 80.836 -8.133 16.152 1.00 1.00 H new ATOM 0 HA THR X 69 80.785 -10.659 17.424 1.00 1.00 H new ATOM 0 HB THR X 69 80.700 -7.827 18.554 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.603 -7.957 17.516 1.00 1.00 H new ATOM 0 HG21 THR X 69 81.617 -8.889 20.597 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.014 -9.552 20.199 1.00 1.00 H new ATOM 0 HG23 THR X 69 81.481 -10.488 19.828 1.00 1.00 H new ATOM 1169 N PHE X 70 78.122 -8.736 17.825 1.00 1.00 N ATOM 1170 CA PHE X 70 76.722 -8.750 18.238 1.00 1.00 C ATOM 1171 C PHE X 70 75.928 -9.791 17.450 1.00 1.00 C ATOM 1172 O PHE X 70 75.085 -10.493 18.009 1.00 1.00 O ATOM 1173 CB PHE X 70 76.088 -7.367 18.031 1.00 1.00 C ATOM 1174 CG PHE X 70 76.271 -6.528 19.276 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.647 -6.913 20.468 1.00 1.00 C ATOM 1176 CD2 PHE X 70 77.061 -5.372 19.240 1.00 1.00 C ATOM 1177 CE1 PHE X 70 75.813 -6.141 21.625 1.00 1.00 C ATOM 1178 CE2 PHE X 70 77.226 -4.601 20.397 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.601 -4.986 21.589 1.00 1.00 C ATOM 0 H PHE X 70 78.439 -7.852 17.428 1.00 1.00 H new ATOM 0 HA PHE X 70 76.692 -9.010 19.296 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.547 -6.871 17.176 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.027 -7.473 17.806 1.00 1.00 H new ATOM 0 HD1 PHE X 70 75.038 -7.804 20.496 1.00 1.00 H new ATOM 0 HD2 PHE X 70 77.543 -5.075 18.320 1.00 1.00 H new ATOM 0 HE1 PHE X 70 75.332 -6.438 22.545 1.00 1.00 H new ATOM 0 HE2 PHE X 70 77.835 -3.710 20.370 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.727 -4.391 22.481 1.00 1.00 H new ATOM 1189 N GLY X 71 76.187 -9.872 16.149 1.00 1.00 N ATOM 1190 CA GLY X 71 75.476 -10.811 15.295 1.00 1.00 C ATOM 1191 C GLY X 71 75.370 -10.272 13.867 1.00 1.00 C ATOM 1192 O GLY X 71 75.692 -10.976 12.911 1.00 1.00 O ATOM 0 H GLY X 71 76.881 -9.301 15.667 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.995 -11.770 15.289 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.478 -10.991 15.696 1.00 1.00 H new ATOM 1196 N PRO X 72 74.926 -9.044 13.705 1.00 1.00 N ATOM 1197 CA PRO X 72 74.783 -8.419 12.358 1.00 1.00 C ATOM 1198 C PRO X 72 75.987 -8.684 11.458 1.00 1.00 C ATOM 1199 O PRO X 72 77.000 -7.987 11.528 1.00 1.00 O ATOM 1200 CB PRO X 72 74.649 -6.930 12.666 1.00 1.00 C ATOM 1201 CG PRO X 72 74.068 -6.855 14.038 1.00 1.00 C ATOM 1202 CD PRO X 72 74.505 -8.120 14.779 1.00 1.00 C ATOM 0 HA PRO X 72 73.934 -8.827 11.809 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.618 -6.432 12.623 1.00 1.00 H new ATOM 0 HB3 PRO X 72 74.004 -6.436 11.940 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.419 -5.963 14.557 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.981 -6.790 13.993 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.322 -7.914 15.470 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.688 -8.539 15.367 1.00 1.00 H new ATOM 1210 N GLU X 73 75.860 -9.698 10.613 1.00 1.00 N ATOM 1211 CA GLU X 73 76.927 -10.066 9.688 1.00 1.00 C ATOM 1212 C GLU X 73 76.768 -9.336 8.353 1.00 1.00 C ATOM 1213 O GLU X 73 77.514 -9.589 7.410 1.00 1.00 O ATOM 1214 CB GLU X 73 76.918 -11.579 9.463 1.00 1.00 C ATOM 1215 CG GLU X 73 75.643 -11.986 8.720 1.00 1.00 C ATOM 1216 CD GLU X 73 75.547 -13.506 8.642 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.426 -14.164 9.174 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.594 -13.990 8.053 1.00 1.00 O ATOM 0 H GLU X 73 75.027 -10.283 10.548 1.00 1.00 H new ATOM 0 HA GLU X 73 77.881 -9.771 10.126 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.795 -11.875 8.888 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.974 -12.098 10.420 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.769 -11.584 9.233 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.646 -11.562 7.716 1.00 1.00 H new ATOM 1225 N LYS X 74 75.782 -8.443 8.280 1.00 1.00 N ATOM 1226 CA LYS X 74 75.520 -7.696 7.053 1.00 1.00 C ATOM 1227 C LYS X 74 76.823 -7.291 6.382 1.00 1.00 C ATOM 1228 O LYS X 74 76.980 -7.466 5.173 1.00 1.00 O ATOM 1229 CB LYS X 74 74.681 -6.451 7.373 1.00 1.00 C ATOM 1230 CG LYS X 74 74.523 -5.583 6.118 1.00 1.00 C ATOM 1231 CD LYS X 74 73.646 -4.376 6.434 1.00 1.00 C ATOM 1232 CE LYS X 74 73.584 -3.471 5.205 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.774 -2.261 5.515 1.00 1.00 N ATOM 0 H LYS X 74 75.155 -8.221 9.053 1.00 1.00 H new ATOM 0 HA LYS X 74 74.966 -8.336 6.366 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.700 -6.750 7.744 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.159 -5.875 8.165 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.501 -5.252 5.768 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.077 -6.168 5.314 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.644 -4.701 6.713 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.051 -3.828 7.285 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.590 -3.180 4.904 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.144 -4.010 4.366 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.733 -1.646 4.677 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.810 -2.547 5.782 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.212 -1.743 6.303 1.00 1.00 H new ATOM 1247 N VAL X 75 77.752 -6.758 7.168 1.00 1.00 N ATOM 1248 CA VAL X 75 79.040 -6.348 6.638 1.00 1.00 C ATOM 1249 C VAL X 75 80.159 -7.175 7.278 1.00 1.00 C ATOM 1250 O VAL X 75 80.722 -6.788 8.299 1.00 1.00 O ATOM 1251 CB VAL X 75 79.276 -4.865 6.906 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.708 -4.052 5.746 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.596 -4.444 8.211 1.00 1.00 C ATOM 0 H VAL X 75 77.635 -6.602 8.169 1.00 1.00 H new ATOM 0 HA VAL X 75 79.042 -6.516 5.561 1.00 1.00 H new ATOM 0 HB VAL X 75 80.347 -4.684 6.998 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.873 -2.990 5.931 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.206 -4.341 4.821 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.639 -4.243 5.657 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.774 -3.383 8.388 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.524 -4.625 8.137 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.006 -5.024 9.038 1.00 1.00 H new ATOM 1263 N PRO X 76 80.487 -8.305 6.702 1.00 1.00 N ATOM 1264 CA PRO X 76 81.559 -9.199 7.237 1.00 1.00 C ATOM 1265 C PRO X 76 82.902 -8.485 7.389 1.00 1.00 C ATOM 1266 O PRO X 76 83.230 -7.582 6.619 1.00 1.00 O ATOM 1267 CB PRO X 76 81.664 -10.315 6.194 1.00 1.00 C ATOM 1268 CG PRO X 76 80.360 -10.308 5.469 1.00 1.00 C ATOM 1269 CD PRO X 76 79.864 -8.869 5.492 1.00 1.00 C ATOM 0 HA PRO X 76 81.314 -9.557 8.237 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.494 -10.136 5.510 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.844 -11.280 6.668 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.483 -10.660 4.445 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.644 -10.974 5.951 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.166 -8.327 4.596 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.776 -8.821 5.542 1.00 1.00 H new ATOM 1277 N VAL X 77 83.668 -8.896 8.399 1.00 1.00 N ATOM 1278 CA VAL X 77 84.971 -8.292 8.659 1.00 1.00 C ATOM 1279 C VAL X 77 85.937 -8.588 7.514 1.00 1.00 C ATOM 1280 O VAL X 77 86.872 -7.828 7.265 1.00 1.00 O ATOM 1281 CB VAL X 77 85.551 -8.824 9.971 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.972 -10.284 9.792 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.765 -7.982 10.372 1.00 1.00 C ATOM 0 H VAL X 77 83.409 -9.641 9.046 1.00 1.00 H new ATOM 0 HA VAL X 77 84.837 -7.213 8.739 1.00 1.00 H new ATOM 0 HB VAL X 77 84.795 -8.762 10.753 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.385 -10.661 10.728 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.104 -10.881 9.512 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.727 -10.352 9.009 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.178 -8.361 11.307 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.523 -8.040 9.590 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.460 -6.944 10.505 1.00 1.00 H new ATOM 1293 N THR X 78 85.703 -9.699 6.819 1.00 1.00 N ATOM 1294 CA THR X 78 86.559 -10.090 5.700 1.00 1.00 C ATOM 1295 C THR X 78 86.768 -8.917 4.742 1.00 1.00 C ATOM 1296 O THR X 78 87.595 -8.984 3.828 1.00 1.00 O ATOM 1297 CB THR X 78 85.926 -11.265 4.947 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.697 -10.849 4.370 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.670 -12.418 5.920 1.00 1.00 C ATOM 0 H THR X 78 84.933 -10.341 7.009 1.00 1.00 H new ATOM 0 HA THR X 78 87.528 -10.391 6.097 1.00 1.00 H new ATOM 0 HB THR X 78 86.602 -11.599 4.160 1.00 1.00 H new ATOM 0 HG1 THR X 78 84.292 -11.599 3.887 1.00 1.00 H new ATOM 0 HG21 THR X 78 85.220 -13.253 5.384 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.614 -12.737 6.362 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.994 -12.086 6.708 1.00 1.00 H new ATOM 1307 N ALA X 79 86.015 -7.844 4.957 1.00 1.00 N ATOM 1308 CA ALA X 79 86.119 -6.665 4.114 1.00 1.00 C ATOM 1309 C ALA X 79 87.544 -6.116 4.134 1.00 1.00 C ATOM 1310 O ALA X 79 87.978 -5.459 3.188 1.00 1.00 O ATOM 1311 CB ALA X 79 85.141 -5.595 4.604 1.00 1.00 C ATOM 0 H ALA X 79 85.328 -7.769 5.707 1.00 1.00 H new ATOM 0 HA ALA X 79 85.870 -6.942 3.090 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.221 -4.712 3.970 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.124 -5.984 4.558 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.381 -5.326 5.633 1.00 1.00 H new ATOM 1317 N PHE X 80 88.264 -6.385 5.218 1.00 1.00 N ATOM 1318 CA PHE X 80 89.636 -5.910 5.347 1.00 1.00 C ATOM 1319 C PHE X 80 90.514 -6.471 4.228 1.00 1.00 C ATOM 1320 O PHE X 80 91.255 -5.736 3.579 1.00 1.00 O ATOM 1321 CB PHE X 80 90.196 -6.331 6.707 1.00 1.00 C ATOM 1322 CG PHE X 80 91.574 -5.743 6.887 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.681 -6.317 6.251 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.739 -4.611 7.696 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.954 -5.759 6.424 1.00 1.00 C ATOM 1326 CE2 PHE X 80 93.012 -4.053 7.867 1.00 1.00 C ATOM 1327 CZ PHE X 80 94.120 -4.628 7.231 1.00 1.00 C ATOM 0 H PHE X 80 87.924 -6.925 6.014 1.00 1.00 H new ATOM 0 HA PHE X 80 89.637 -4.823 5.270 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.536 -5.990 7.505 1.00 1.00 H new ATOM 0 HB3 PHE X 80 90.241 -7.418 6.773 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.554 -7.189 5.627 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.885 -4.169 8.187 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.808 -6.202 5.934 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.140 -3.179 8.489 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.102 -4.198 7.364 1.00 1.00 H new ATOM 1337 N SER X 81 90.425 -7.776 4.005 1.00 1.00 N ATOM 1338 CA SER X 81 91.218 -8.413 2.952 1.00 1.00 C ATOM 1339 C SER X 81 90.813 -7.874 1.579 1.00 1.00 C ATOM 1340 O SER X 81 91.662 -7.559 0.731 1.00 1.00 O ATOM 1341 CB SER X 81 91.014 -9.927 3.000 1.00 1.00 C ATOM 1342 OG SER X 81 89.631 -10.220 2.845 1.00 1.00 O ATOM 0 H SER X 81 89.822 -8.410 4.529 1.00 1.00 H new ATOM 0 HA SER X 81 92.271 -8.185 3.117 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.590 -10.408 2.210 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.378 -10.325 3.947 1.00 1.00 H new ATOM 0 HG SER X 81 89.099 -9.556 3.331 1.00 1.00 H new ATOM 1348 N TYR X 82 89.506 -7.741 1.379 1.00 1.00 N ATOM 1349 CA TYR X 82 88.986 -7.217 0.124 1.00 1.00 C ATOM 1350 C TYR X 82 89.575 -5.832 -0.132 1.00 1.00 C ATOM 1351 O TYR X 82 89.919 -5.475 -1.268 1.00 1.00 O ATOM 1352 CB TYR X 82 87.451 -7.159 0.193 1.00 1.00 C ATOM 1353 CG TYR X 82 86.938 -6.055 -0.698 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.346 -5.997 -2.036 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.074 -5.077 -0.187 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.891 -4.964 -2.863 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.618 -4.045 -1.015 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.026 -3.988 -2.352 1.00 1.00 C ATOM 1359 OH TYR X 82 85.567 -2.971 -3.163 1.00 1.00 O ATOM 0 H TYR X 82 88.793 -7.987 2.065 1.00 1.00 H new ATOM 0 HA TYR X 82 89.271 -7.870 -0.701 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.028 -8.115 -0.117 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.131 -6.987 1.221 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.012 -6.750 -2.430 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.760 -5.120 0.846 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.207 -4.919 -3.895 1.00 1.00 H new ATOM 0 HE2 TYR X 82 84.951 -3.292 -0.622 1.00 1.00 H new ATOM 0 HH TYR X 82 84.827 -3.301 -3.714 1.00 1.00 H new ATOM 1369 N TRP X 83 89.703 -5.060 0.934 1.00 1.00 N ATOM 1370 CA TRP X 83 90.260 -3.723 0.821 1.00 1.00 C ATOM 1371 C TRP X 83 91.710 -3.770 0.344 1.00 1.00 C ATOM 1372 O TRP X 83 92.154 -2.902 -0.406 1.00 1.00 O ATOM 1373 CB TRP X 83 90.184 -2.998 2.153 1.00 1.00 C ATOM 1374 CG TRP X 83 90.999 -1.754 2.069 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.995 -0.893 1.025 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.923 -1.203 3.052 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.859 0.151 1.306 1.00 1.00 N ATOM 1378 CE2 TRP X 83 92.455 0.004 2.543 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.348 -1.631 4.323 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 93.375 0.763 3.268 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 93.274 -0.871 5.056 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.787 0.324 4.529 1.00 1.00 C ATOM 0 H TRP X 83 89.432 -5.332 1.879 1.00 1.00 H new ATOM 0 HA TRP X 83 89.668 -3.180 0.084 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.149 -2.756 2.392 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.554 -3.639 2.953 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.413 -1.002 0.122 1.00 1.00 H new ATOM 0 HE1 TRP X 83 92.034 0.934 0.676 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.960 -2.550 4.738 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.765 1.683 2.858 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.593 -1.208 6.031 1.00 1.00 H new ATOM 0 HH2 TRP X 83 94.499 0.904 5.097 1.00 1.00 H new ATOM 1393 N ASN X 84 92.452 -4.774 0.790 1.00 1.00 N ATOM 1394 CA ASN X 84 93.849 -4.893 0.399 1.00 1.00 C ATOM 1395 C ASN X 84 93.961 -4.885 -1.116 1.00 1.00 C ATOM 1396 O ASN X 84 94.848 -4.240 -1.685 1.00 1.00 O ATOM 1397 CB ASN X 84 94.425 -6.203 0.925 1.00 1.00 C ATOM 1398 CG ASN X 84 95.931 -6.078 1.115 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.701 -6.446 0.227 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.403 -5.581 2.226 1.00 1.00 N ATOM 0 H ASN X 84 92.116 -5.508 1.414 1.00 1.00 H new ATOM 0 HA ASN X 84 94.403 -4.052 0.817 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.952 -6.462 1.872 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.205 -7.011 0.227 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.411 -5.497 2.360 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.764 -5.277 2.961 1.00 1.00 H new ATOM 1407 N LEU X 85 93.054 -5.597 -1.770 1.00 1.00 N ATOM 1408 CA LEU X 85 93.078 -5.648 -3.223 1.00 1.00 C ATOM 1409 C LEU X 85 92.847 -4.258 -3.806 1.00 1.00 C ATOM 1410 O LEU X 85 93.475 -3.883 -4.797 1.00 1.00 O ATOM 1411 CB LEU X 85 92.017 -6.615 -3.745 1.00 1.00 C ATOM 1412 CG LEU X 85 92.516 -8.060 -3.633 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.707 -8.293 -4.568 1.00 1.00 C ATOM 1414 CD2 LEU X 85 92.951 -8.329 -2.195 1.00 1.00 C ATOM 0 H LEU X 85 92.309 -6.136 -1.329 1.00 1.00 H new ATOM 0 HA LEU X 85 94.059 -6.005 -3.536 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.095 -6.496 -3.176 1.00 1.00 H new ATOM 0 HB3 LEU X 85 91.783 -6.383 -4.784 1.00 1.00 H new ATOM 0 HG LEU X 85 91.708 -8.734 -3.917 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.047 -9.324 -4.474 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.404 -8.103 -5.598 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.519 -7.617 -4.298 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.307 -9.356 -2.109 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.753 -7.643 -1.923 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.104 -8.181 -1.525 1.00 1.00 H new ATOM 1426 N ILE X 86 91.947 -3.492 -3.192 1.00 1.00 N ATOM 1427 CA ILE X 86 91.664 -2.146 -3.685 1.00 1.00 C ATOM 1428 C ILE X 86 92.904 -1.266 -3.617 1.00 1.00 C ATOM 1429 O ILE X 86 93.191 -0.521 -4.554 1.00 1.00 O ATOM 1430 CB ILE X 86 90.580 -1.520 -2.846 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.265 -2.243 -3.082 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.428 -0.044 -3.211 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.254 -1.802 -2.025 1.00 1.00 C ATOM 0 H ILE X 86 91.412 -3.772 -2.370 1.00 1.00 H new ATOM 0 HA ILE X 86 91.344 -2.226 -4.724 1.00 1.00 H new ATOM 0 HB ILE X 86 90.852 -1.603 -1.794 1.00 1.00 H new ATOM 0 HG12 ILE X 86 88.887 -2.020 -4.080 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.415 -3.321 -3.032 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.643 0.403 -2.601 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.369 0.475 -3.028 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.164 0.045 -4.265 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.308 -2.318 -2.189 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.634 -2.048 -1.033 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.098 -0.726 -2.097 1.00 1.00 H new ATOM 1445 N LYS X 87 93.640 -1.348 -2.511 1.00 1.00 N ATOM 1446 CA LYS X 87 94.842 -0.537 -2.368 1.00 1.00 C ATOM 1447 C LYS X 87 95.757 -0.748 -3.557 1.00 1.00 C ATOM 1448 O LYS X 87 96.287 0.206 -4.124 1.00 1.00 O ATOM 1449 CB LYS X 87 95.591 -0.920 -1.090 1.00 1.00 C ATOM 1450 CG LYS X 87 95.025 -0.147 0.098 1.00 1.00 C ATOM 1451 CD LYS X 87 95.890 -0.397 1.340 1.00 1.00 C ATOM 1452 CE LYS X 87 95.659 -1.815 1.873 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.213 -1.919 3.252 1.00 1.00 N ATOM 0 H LYS X 87 93.430 -1.954 -1.718 1.00 1.00 H new ATOM 0 HA LYS X 87 94.545 0.510 -2.315 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.501 -1.992 -0.913 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.653 -0.704 -1.202 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.998 0.919 -0.129 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.998 -0.458 0.290 1.00 1.00 H new ATOM 0 HD2 LYS X 87 96.943 -0.262 1.092 1.00 1.00 H new ATOM 0 HD3 LYS X 87 95.648 0.333 2.113 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.593 -2.045 1.879 1.00 1.00 H new ATOM 0 HE3 LYS X 87 96.139 -2.544 1.220 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 96.291 -2.921 3.520 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 97.154 -1.478 3.282 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 95.581 -1.431 3.918 1.00 1.00 H new ATOM 1467 N GLU X 88 95.924 -1.997 -3.937 1.00 1.00 N ATOM 1468 CA GLU X 88 96.766 -2.320 -5.074 1.00 1.00 C ATOM 1469 C GLU X 88 96.166 -1.754 -6.356 1.00 1.00 C ATOM 1470 O GLU X 88 96.896 -1.401 -7.280 1.00 1.00 O ATOM 1471 CB GLU X 88 96.940 -3.837 -5.193 1.00 1.00 C ATOM 1472 CG GLU X 88 97.892 -4.327 -4.101 1.00 1.00 C ATOM 1473 CD GLU X 88 97.994 -5.848 -4.145 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.382 -6.437 -5.022 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.670 -6.402 -3.296 1.00 1.00 O ATOM 0 H GLU X 88 95.493 -2.801 -3.481 1.00 1.00 H new ATOM 0 HA GLU X 88 97.746 -1.868 -4.920 1.00 1.00 H new ATOM 0 HB2 GLU X 88 95.974 -4.333 -5.098 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.335 -4.093 -6.176 1.00 1.00 H new ATOM 0 HG2 GLU X 88 98.878 -3.884 -4.240 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.533 -4.006 -3.123 1.00 1.00 H new ATOM 1482 N LEU X 89 94.836 -1.672 -6.416 1.00 1.00 N ATOM 1483 CA LEU X 89 94.178 -1.145 -7.610 1.00 1.00 C ATOM 1484 C LEU X 89 94.354 0.369 -7.727 1.00 1.00 C ATOM 1485 O LEU X 89 94.752 0.874 -8.778 1.00 1.00 O ATOM 1486 CB LEU X 89 92.682 -1.481 -7.557 1.00 1.00 C ATOM 1487 CG LEU X 89 91.951 -0.880 -8.767 1.00 1.00 C ATOM 1488 CD1 LEU X 89 92.573 -1.395 -10.066 1.00 1.00 C ATOM 1489 CD2 LEU X 89 90.483 -1.293 -8.710 1.00 1.00 C ATOM 0 H LEU X 89 94.205 -1.958 -5.667 1.00 1.00 H new ATOM 0 HA LEU X 89 94.639 -1.608 -8.482 1.00 1.00 H new ATOM 0 HB2 LEU X 89 92.547 -2.562 -7.544 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.249 -1.094 -6.634 1.00 1.00 H new ATOM 0 HG LEU X 89 92.037 0.206 -8.741 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.047 -0.963 -10.917 1.00 1.00 H new ATOM 0 HD12 LEU X 89 93.624 -1.108 -10.105 1.00 1.00 H new ATOM 0 HD13 LEU X 89 92.492 -2.481 -10.103 1.00 1.00 H new ATOM 0 HD21 LEU X 89 89.953 -0.872 -9.564 1.00 1.00 H new ATOM 0 HD22 LEU X 89 90.410 -2.380 -8.737 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.036 -0.922 -7.788 1.00 1.00 H new ATOM 1501 N ILE X 90 94.040 1.092 -6.654 1.00 1.00 N ATOM 1502 CA ILE X 90 94.153 2.545 -6.664 1.00 1.00 C ATOM 1503 C ILE X 90 95.613 2.974 -6.756 1.00 1.00 C ATOM 1504 O ILE X 90 95.959 3.895 -7.496 1.00 1.00 O ATOM 1505 CB ILE X 90 93.519 3.123 -5.398 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.083 2.611 -5.281 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.488 4.650 -5.497 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.532 2.912 -3.890 1.00 1.00 C ATOM 0 H ILE X 90 93.708 0.697 -5.774 1.00 1.00 H new ATOM 0 HA ILE X 90 93.627 2.927 -7.539 1.00 1.00 H new ATOM 0 HB ILE X 90 94.100 2.819 -4.527 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.457 3.083 -6.039 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.055 1.537 -5.468 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.036 5.064 -4.595 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.505 5.029 -5.600 1.00 1.00 H new ATOM 0 HG23 ILE X 90 92.901 4.946 -6.366 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.509 2.544 -3.816 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.150 2.419 -3.139 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.543 3.988 -3.719 1.00 1.00 H new ATOM 1520 N ASP X 91 96.462 2.298 -5.993 1.00 1.00 N ATOM 1521 CA ASP X 91 97.887 2.611 -5.981 1.00 1.00 C ATOM 1522 C ASP X 91 98.394 2.879 -7.394 1.00 1.00 C ATOM 1523 O ASP X 91 99.334 3.647 -7.595 1.00 1.00 O ATOM 1524 CB ASP X 91 98.672 1.447 -5.377 1.00 1.00 C ATOM 1525 CG ASP X 91 100.166 1.751 -5.416 1.00 1.00 C ATOM 1526 OD1 ASP X 91 100.509 2.893 -5.677 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.945 0.841 -5.186 1.00 1.00 O ATOM 0 H ASP X 91 96.191 1.532 -5.376 1.00 1.00 H new ATOM 0 HA ASP X 91 98.033 3.507 -5.377 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.354 1.277 -4.348 1.00 1.00 H new ATOM 0 HB3 ASP X 91 98.464 0.531 -5.930 1.00 1.00 H new