USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=18 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 55:sc= 0.411 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.23) USER MOD Single : X 16 LYS NZ :NH3+ -132:sc= -0.0173 (180deg=-0.473) USER MOD Single : X 17 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.33) USER MOD Single : X 20 LYS NZ :NH3+ 142:sc= -1.76 (180deg=-3.97!) USER MOD Single : X 21 THR OG1 : rot -71:sc= 0.688 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -166:sc=-0.00641 (180deg=-0.308) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.168) USER MOD Single : X 39 LYS NZ :NH3+ -162:sc= -0.0561 (180deg=-0.503) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 79:sc= 0.9 USER MOD Single : X 64 GLN : amide:sc= -9.1! C(o=-9.1!,f=-4.4!) 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= -3.82! K(o=-3.8!,f=-3.3) USER MOD Single : X 69 THR OG1 : rot 85:sc= 0.752 USER MOD Single : X 74 LYS NZ :NH3+ 144:sc= 0.203 (180deg=-2.46!) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot -60:sc= 0.433 USER MOD Single : X 82 TYR OH : rot -77:sc= 0.0855 USER MOD Single : X 84 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.83) USER MOD Single : X 87 LYS NZ :NH3+ -153:sc= 0.0546 (180deg=0.00423) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.239 0.736 -9.361 1.00 1.00 N ATOM 79 CA SER X 6 68.753 2.060 -9.689 1.00 1.00 C ATOM 80 C SER X 6 70.196 1.971 -10.180 1.00 1.00 C ATOM 81 O SER X 6 70.809 0.904 -10.151 1.00 1.00 O ATOM 82 CB SER X 6 68.672 2.979 -8.466 1.00 1.00 C ATOM 83 OG SER X 6 69.174 2.298 -7.326 1.00 1.00 O ATOM 0 HA SER X 6 68.139 2.477 -10.487 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.248 3.888 -8.642 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.640 3.284 -8.295 1.00 1.00 H new ATOM 0 HG SER X 6 70.079 1.972 -7.512 1.00 1.00 H new ATOM 89 N GLN X 7 70.730 3.098 -10.635 1.00 1.00 N ATOM 90 CA GLN X 7 72.100 3.143 -11.135 1.00 1.00 C ATOM 91 C GLN X 7 73.085 2.699 -10.058 1.00 1.00 C ATOM 92 O GLN X 7 74.174 2.212 -10.361 1.00 1.00 O ATOM 93 CB GLN X 7 72.448 4.562 -11.587 1.00 1.00 C ATOM 94 CG GLN X 7 71.653 4.906 -12.847 1.00 1.00 C ATOM 95 CD GLN X 7 71.959 6.335 -13.284 1.00 1.00 C ATOM 96 OE1 GLN X 7 71.665 7.284 -12.556 1.00 1.00 O ATOM 97 NE2 GLN X 7 72.533 6.548 -14.436 1.00 1.00 N ATOM 0 H GLN X 7 70.238 3.991 -10.668 1.00 1.00 H new ATOM 0 HA GLN X 7 72.174 2.461 -11.982 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.219 5.274 -10.794 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.517 4.640 -11.786 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.906 4.210 -13.647 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.586 4.797 -12.655 1.00 1.00 H new ATOM 0 HE21 GLN X 7 72.776 5.761 -15.038 1.00 1.00 H new ATOM 0 HE22 GLN X 7 72.739 7.501 -14.735 1.00 1.00 H new ATOM 106 N HIS X 8 72.697 2.879 -8.801 1.00 1.00 N ATOM 107 CA HIS X 8 73.558 2.502 -7.683 1.00 1.00 C ATOM 108 C HIS X 8 73.871 1.013 -7.733 1.00 1.00 C ATOM 109 O HIS X 8 75.012 0.600 -7.522 1.00 1.00 O ATOM 110 CB HIS X 8 72.876 2.839 -6.357 1.00 1.00 C ATOM 111 CG HIS X 8 72.916 4.326 -6.134 1.00 1.00 C ATOM 112 ND1 HIS X 8 72.026 5.191 -6.752 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.731 5.115 -5.362 1.00 1.00 C ATOM 114 CE1 HIS X 8 72.325 6.438 -6.344 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.356 6.449 -5.496 1.00 1.00 N ATOM 0 H HIS X 8 71.799 3.280 -8.530 1.00 1.00 H new ATOM 0 HA HIS X 8 74.490 3.063 -7.761 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.843 2.490 -6.368 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.377 2.324 -5.537 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.541 4.756 -4.744 1.00 1.00 H new ATOM 0 HE1 HIS X 8 71.795 7.323 -6.664 1.00 1.00 H new ATOM 0 HE2 HIS X 8 73.778 7.260 -5.044 1.00 1.00 H new ATOM 123 N GLU X 9 72.853 0.213 -8.022 1.00 1.00 N ATOM 124 CA GLU X 9 73.036 -1.227 -8.107 1.00 1.00 C ATOM 125 C GLU X 9 73.997 -1.568 -9.241 1.00 1.00 C ATOM 126 O GLU X 9 74.878 -2.405 -9.086 1.00 1.00 O ATOM 127 CB GLU X 9 71.684 -1.902 -8.352 1.00 1.00 C ATOM 128 CG GLU X 9 70.798 -1.790 -7.104 1.00 1.00 C ATOM 129 CD GLU X 9 70.124 -0.423 -7.058 1.00 1.00 C ATOM 130 OE1 GLU X 9 70.452 0.405 -7.891 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.279 -0.229 -6.199 1.00 1.00 O ATOM 0 H GLU X 9 71.901 0.534 -8.200 1.00 1.00 H new ATOM 0 HA GLU X 9 73.457 -1.589 -7.169 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.186 -1.436 -9.202 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.835 -2.951 -8.606 1.00 1.00 H new ATOM 0 HG2 GLU X 9 70.043 -2.576 -7.114 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.400 -1.937 -6.207 1.00 1.00 H new ATOM 138 N ARG X 10 73.828 -0.916 -10.381 1.00 1.00 N ATOM 139 CA ARG X 10 74.698 -1.165 -11.519 1.00 1.00 C ATOM 140 C ARG X 10 76.131 -0.733 -11.211 1.00 1.00 C ATOM 141 O ARG X 10 77.089 -1.348 -11.678 1.00 1.00 O ATOM 142 CB ARG X 10 74.180 -0.414 -12.743 1.00 1.00 C ATOM 143 CG ARG X 10 72.859 -1.040 -13.185 1.00 1.00 C ATOM 144 CD ARG X 10 72.340 -0.313 -14.425 1.00 1.00 C ATOM 145 NE ARG X 10 71.073 -0.893 -14.857 1.00 1.00 N ATOM 146 CZ ARG X 10 70.409 -0.388 -15.891 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.894 0.633 -16.543 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.272 -0.915 -16.255 1.00 1.00 N ATOM 0 H ARG X 10 73.103 -0.217 -10.542 1.00 1.00 H new ATOM 0 HA ARG X 10 74.698 -2.235 -11.725 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.037 0.640 -12.506 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.909 -0.463 -13.552 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.001 -2.098 -13.404 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.127 -0.976 -12.380 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.207 0.746 -14.205 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.073 -0.382 -15.229 1.00 1.00 H new ATOM 0 HE ARG X 10 70.692 -1.697 -14.358 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.783 1.044 -16.259 1.00 1.00 H new ATOM 0 HH12 ARG X 10 70.384 1.020 -17.337 1.00 1.00 H new ATOM 0 HH21 ARG X 10 68.894 -1.714 -15.746 1.00 1.00 H new ATOM 0 HH22 ARG X 10 68.761 -0.528 -17.049 1.00 1.00 H new ATOM 162 N TYR X 11 76.268 0.339 -10.439 1.00 1.00 N ATOM 163 CA TYR X 11 77.586 0.862 -10.090 1.00 1.00 C ATOM 164 C TYR X 11 78.421 -0.185 -9.351 1.00 1.00 C ATOM 165 O TYR X 11 79.592 -0.406 -9.676 1.00 1.00 O ATOM 166 CB TYR X 11 77.428 2.096 -9.195 1.00 1.00 C ATOM 167 CG TYR X 11 78.791 2.587 -8.769 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.574 3.318 -9.671 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.272 2.316 -7.484 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.839 3.778 -9.287 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.538 2.776 -7.099 1.00 1.00 C ATOM 172 CZ TYR X 11 81.321 3.506 -8.001 1.00 1.00 C ATOM 173 OH TYR X 11 82.568 3.961 -7.621 1.00 1.00 O ATOM 0 H TYR X 11 75.487 0.862 -10.044 1.00 1.00 H new ATOM 0 HA TYR X 11 78.099 1.127 -11.014 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.898 2.883 -9.732 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.829 1.849 -8.319 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.202 3.527 -10.663 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.668 1.752 -6.789 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.443 4.342 -9.982 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.910 2.568 -6.107 1.00 1.00 H new ATOM 0 HH TYR X 11 82.749 3.687 -6.698 1.00 1.00 H new ATOM 183 N VAL X 12 77.819 -0.818 -8.348 1.00 1.00 N ATOM 184 CA VAL X 12 78.530 -1.825 -7.567 1.00 1.00 C ATOM 185 C VAL X 12 78.889 -3.017 -8.444 1.00 1.00 C ATOM 186 O VAL X 12 79.946 -3.627 -8.278 1.00 1.00 O ATOM 187 CB VAL X 12 77.684 -2.279 -6.367 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.819 -3.486 -6.736 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.612 -2.668 -5.224 1.00 1.00 C ATOM 0 H VAL X 12 76.854 -0.655 -8.060 1.00 1.00 H new ATOM 0 HA VAL X 12 79.450 -1.380 -7.188 1.00 1.00 H new ATOM 0 HB VAL X 12 77.032 -1.458 -6.069 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.229 -3.789 -5.871 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.151 -3.218 -7.555 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.460 -4.312 -7.046 1.00 1.00 H new ATOM 0 HG21 VAL X 12 78.019 -2.991 -4.368 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.262 -3.482 -5.544 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.220 -1.809 -4.940 1.00 1.00 H new ATOM 199 N GLU X 13 78.010 -3.337 -9.385 1.00 1.00 N ATOM 200 CA GLU X 13 78.253 -4.451 -10.290 1.00 1.00 C ATOM 201 C GLU X 13 79.522 -4.213 -11.101 1.00 1.00 C ATOM 202 O GLU X 13 80.268 -5.149 -11.389 1.00 1.00 O ATOM 203 CB GLU X 13 77.064 -4.635 -11.235 1.00 1.00 C ATOM 204 CG GLU X 13 75.884 -5.221 -10.461 1.00 1.00 C ATOM 205 CD GLU X 13 74.680 -5.374 -11.384 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.795 -5.004 -12.541 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.669 -5.882 -10.928 1.00 1.00 O ATOM 0 H GLU X 13 77.130 -2.845 -9.540 1.00 1.00 H new ATOM 0 HA GLU X 13 78.379 -5.355 -9.694 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.784 -3.678 -11.676 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.338 -5.296 -12.057 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.158 -6.190 -10.043 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.630 -4.572 -9.623 1.00 1.00 H new ATOM 214 N GLN X 14 79.769 -2.958 -11.461 1.00 1.00 N ATOM 215 CA GLN X 14 80.963 -2.623 -12.232 1.00 1.00 C ATOM 216 C GLN X 14 82.214 -2.868 -11.404 1.00 1.00 C ATOM 217 O GLN X 14 83.206 -3.398 -11.904 1.00 1.00 O ATOM 218 CB GLN X 14 80.915 -1.156 -12.663 1.00 1.00 C ATOM 219 CG GLN X 14 79.768 -0.954 -13.652 1.00 1.00 C ATOM 220 CD GLN X 14 80.074 -1.671 -14.962 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.963 -1.252 -15.705 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.391 -2.732 -15.292 1.00 1.00 N ATOM 0 H GLN X 14 79.168 -2.165 -11.236 1.00 1.00 H new ATOM 0 HA GLN X 14 80.992 -3.259 -13.117 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.777 -0.514 -11.793 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.861 -0.870 -13.123 1.00 1.00 H new ATOM 0 HG2 GLN X 14 78.840 -1.336 -13.227 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.620 0.110 -13.837 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.655 -3.077 -14.675 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.592 -3.217 -16.167 1.00 1.00 H new ATOM 231 N LEU X 15 82.162 -2.485 -10.136 1.00 1.00 N ATOM 232 CA LEU X 15 83.305 -2.680 -9.256 1.00 1.00 C ATOM 233 C LEU X 15 83.601 -4.165 -9.111 1.00 1.00 C ATOM 234 O LEU X 15 84.754 -4.574 -9.105 1.00 1.00 O ATOM 235 CB LEU X 15 83.030 -2.085 -7.878 1.00 1.00 C ATOM 236 CG LEU X 15 82.955 -0.554 -7.984 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.383 0.020 -6.690 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.353 0.035 -8.209 1.00 1.00 C ATOM 0 H LEU X 15 81.353 -2.044 -9.698 1.00 1.00 H new ATOM 0 HA LEU X 15 84.165 -2.175 -9.696 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.094 -2.479 -7.481 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.818 -2.373 -7.182 1.00 1.00 H new ATOM 0 HG LEU X 15 82.314 -0.295 -8.827 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.330 1.106 -6.766 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.383 -0.381 -6.525 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.027 -0.254 -5.854 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.283 1.120 -8.282 1.00 1.00 H new ATOM 0 HD22 LEU X 15 84.999 -0.232 -7.373 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.772 -0.365 -9.133 1.00 1.00 H new ATOM 250 N LYS X 16 82.555 -4.971 -8.990 1.00 1.00 N ATOM 251 CA LYS X 16 82.740 -6.402 -8.837 1.00 1.00 C ATOM 252 C LYS X 16 83.549 -6.977 -9.994 1.00 1.00 C ATOM 253 O LYS X 16 84.494 -7.735 -9.777 1.00 1.00 O ATOM 254 CB LYS X 16 81.373 -7.089 -8.782 1.00 1.00 C ATOM 255 CG LYS X 16 81.557 -8.596 -8.616 1.00 1.00 C ATOM 256 CD LYS X 16 80.190 -9.258 -8.498 1.00 1.00 C ATOM 257 CE LYS X 16 80.376 -10.766 -8.312 1.00 1.00 C ATOM 258 NZ LYS X 16 79.046 -11.416 -8.141 1.00 1.00 N ATOM 0 H LYS X 16 81.583 -4.661 -8.995 1.00 1.00 H new ATOM 0 HA LYS X 16 83.287 -6.581 -7.911 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.789 -6.691 -7.952 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.814 -6.880 -9.694 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.100 -9.004 -9.469 1.00 1.00 H new ATOM 0 HG3 LYS X 16 82.154 -8.806 -7.728 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.642 -8.840 -7.654 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.598 -9.060 -9.392 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.890 -11.188 -9.175 1.00 1.00 H new ATOM 0 HE3 LYS X 16 81.002 -10.961 -7.441 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.075 -12.057 -7.322 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.321 -10.687 -7.984 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.812 -11.958 -8.997 1.00 1.00 H new ATOM 272 N GLN X 17 83.174 -6.630 -11.216 1.00 1.00 N ATOM 273 CA GLN X 17 83.876 -7.149 -12.386 1.00 1.00 C ATOM 274 C GLN X 17 85.316 -6.643 -12.450 1.00 1.00 C ATOM 275 O GLN X 17 86.252 -7.429 -12.612 1.00 1.00 O ATOM 276 CB GLN X 17 83.126 -6.741 -13.653 1.00 1.00 C ATOM 277 CG GLN X 17 81.752 -7.415 -13.668 1.00 1.00 C ATOM 278 CD GLN X 17 81.905 -8.922 -13.847 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.573 -9.376 -14.776 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.321 -9.730 -13.005 1.00 1.00 N ATOM 0 H GLN X 17 82.399 -6.000 -11.425 1.00 1.00 H new ATOM 0 HA GLN X 17 83.909 -8.236 -12.307 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.012 -5.658 -13.689 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.696 -7.031 -14.536 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.225 -7.204 -12.737 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.147 -7.005 -14.477 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.768 -9.352 -12.236 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.418 -10.739 -13.116 1.00 1.00 H new ATOM 289 N ALA X 18 85.486 -5.333 -12.335 1.00 1.00 N ATOM 290 CA ALA X 18 86.817 -4.734 -12.397 1.00 1.00 C ATOM 291 C ALA X 18 87.706 -5.234 -11.259 1.00 1.00 C ATOM 292 O ALA X 18 88.842 -5.654 -11.485 1.00 1.00 O ATOM 293 CB ALA X 18 86.696 -3.212 -12.321 1.00 1.00 C ATOM 0 H ALA X 18 84.726 -4.666 -12.199 1.00 1.00 H new ATOM 0 HA ALA X 18 87.278 -5.025 -13.341 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.689 -2.765 -12.367 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.097 -2.852 -13.158 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.215 -2.932 -11.384 1.00 1.00 H new ATOM 299 N LEU X 19 87.183 -5.179 -10.044 1.00 1.00 N ATOM 300 CA LEU X 19 87.927 -5.618 -8.872 1.00 1.00 C ATOM 301 C LEU X 19 88.201 -7.124 -8.935 1.00 1.00 C ATOM 302 O LEU X 19 89.258 -7.583 -8.506 1.00 1.00 O ATOM 303 CB LEU X 19 87.153 -5.252 -7.591 1.00 1.00 C ATOM 304 CG LEU X 19 87.020 -3.723 -7.447 1.00 1.00 C ATOM 305 CD1 LEU X 19 86.144 -3.423 -6.231 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.384 -3.051 -7.239 1.00 1.00 C ATOM 0 H LEU X 19 86.244 -4.834 -9.843 1.00 1.00 H new ATOM 0 HA LEU X 19 88.889 -5.106 -8.855 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.163 -5.706 -7.617 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.668 -5.660 -6.721 1.00 1.00 H new ATOM 0 HG LEU X 19 86.580 -3.331 -8.364 1.00 1.00 H new ATOM 0 HD11 LEU X 19 86.040 -2.344 -6.115 1.00 1.00 H new ATOM 0 HD12 LEU X 19 85.160 -3.869 -6.373 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.607 -3.841 -5.337 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.248 -1.974 -7.142 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.848 -3.441 -6.333 1.00 1.00 H new ATOM 0 HD23 LEU X 19 89.027 -3.260 -8.094 1.00 1.00 H new ATOM 318 N LYS X 20 87.250 -7.884 -9.469 1.00 1.00 N ATOM 319 CA LYS X 20 87.410 -9.337 -9.578 1.00 1.00 C ATOM 320 C LYS X 20 88.644 -9.692 -10.395 1.00 1.00 C ATOM 321 O LYS X 20 89.379 -10.619 -10.050 1.00 1.00 O ATOM 322 CB LYS X 20 86.180 -9.953 -10.252 1.00 1.00 C ATOM 323 CG LYS X 20 85.079 -10.208 -9.220 1.00 1.00 C ATOM 324 CD LYS X 20 85.182 -11.645 -8.702 1.00 1.00 C ATOM 325 CE LYS X 20 84.039 -11.922 -7.724 1.00 1.00 C ATOM 326 NZ LYS X 20 84.097 -13.347 -7.290 1.00 1.00 N ATOM 0 H LYS X 20 86.366 -7.526 -9.831 1.00 1.00 H new ATOM 0 HA LYS X 20 87.523 -9.735 -8.569 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.811 -9.285 -11.030 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.455 -10.889 -10.739 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.173 -9.505 -8.392 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.100 -10.042 -9.670 1.00 1.00 H new ATOM 0 HD2 LYS X 20 85.139 -12.346 -9.535 1.00 1.00 H new ATOM 0 HD3 LYS X 20 86.142 -11.796 -8.208 1.00 1.00 H new ATOM 0 HE2 LYS X 20 84.117 -11.263 -6.859 1.00 1.00 H new ATOM 0 HE3 LYS X 20 83.080 -11.713 -8.199 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.846 -13.414 -6.283 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 83.426 -13.909 -7.852 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 85.060 -13.714 -7.431 1.00 1.00 H new ATOM 340 N THR X 21 88.864 -8.966 -11.479 1.00 1.00 N ATOM 341 CA THR X 21 90.010 -9.234 -12.337 1.00 1.00 C ATOM 342 C THR X 21 91.314 -8.985 -11.585 1.00 1.00 C ATOM 343 O THR X 21 92.387 -9.386 -12.037 1.00 1.00 O ATOM 344 CB THR X 21 89.949 -8.348 -13.583 1.00 1.00 C ATOM 345 OG1 THR X 21 89.928 -6.981 -13.192 1.00 1.00 O ATOM 346 CG2 THR X 21 88.684 -8.676 -14.375 1.00 1.00 C ATOM 0 H THR X 21 88.272 -8.194 -11.785 1.00 1.00 H new ATOM 0 HA THR X 21 89.978 -10.281 -12.639 1.00 1.00 H new ATOM 0 HB THR X 21 90.825 -8.531 -14.206 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.062 -6.771 -12.784 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.638 -8.046 -15.264 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.703 -9.724 -14.674 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.808 -8.492 -13.754 1.00 1.00 H new ATOM 354 N ARG X 22 91.219 -8.315 -10.440 1.00 1.00 N ATOM 355 CA ARG X 22 92.403 -8.015 -9.644 1.00 1.00 C ATOM 356 C ARG X 22 92.596 -9.016 -8.507 1.00 1.00 C ATOM 357 O ARG X 22 93.610 -8.977 -7.812 1.00 1.00 O ATOM 358 CB ARG X 22 92.299 -6.604 -9.071 1.00 1.00 C ATOM 359 CG ARG X 22 92.358 -5.572 -10.208 1.00 1.00 C ATOM 360 CD ARG X 22 93.812 -5.295 -10.607 1.00 1.00 C ATOM 361 NE ARG X 22 93.880 -4.160 -11.517 1.00 1.00 N ATOM 362 CZ ARG X 22 95.036 -3.800 -12.066 1.00 1.00 C ATOM 363 NH1 ARG X 22 96.123 -4.469 -11.794 1.00 1.00 N ATOM 364 NH2 ARG X 22 95.085 -2.776 -12.874 1.00 1.00 N ATOM 0 H ARG X 22 90.343 -7.973 -10.046 1.00 1.00 H new ATOM 0 HA ARG X 22 93.268 -8.087 -10.303 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.367 -6.495 -8.517 1.00 1.00 H new ATOM 0 HB3 ARG X 22 93.111 -6.428 -8.366 1.00 1.00 H new ATOM 0 HG2 ARG X 22 91.802 -5.940 -11.070 1.00 1.00 H new ATOM 0 HG3 ARG X 22 91.879 -4.646 -9.891 1.00 1.00 H new ATOM 0 HD2 ARG X 22 94.408 -5.092 -9.717 1.00 1.00 H new ATOM 0 HD3 ARG X 22 94.240 -6.177 -11.083 1.00 1.00 H new ATOM 0 HE ARG X 22 93.032 -3.636 -11.735 1.00 1.00 H new ATOM 0 HH11 ARG X 22 96.085 -5.268 -11.161 1.00 1.00 H new ATOM 0 HH12 ARG X 22 97.010 -4.193 -12.215 1.00 1.00 H new ATOM 0 HH21 ARG X 22 94.236 -2.251 -13.085 1.00 1.00 H new ATOM 0 HH22 ARG X 22 95.972 -2.500 -13.295 1.00 1.00 H new ATOM 378 N GLY X 23 91.633 -9.910 -8.330 1.00 1.00 N ATOM 379 CA GLY X 23 91.722 -10.919 -7.278 1.00 1.00 C ATOM 380 C GLY X 23 90.728 -10.656 -6.157 1.00 1.00 C ATOM 381 O GLY X 23 90.893 -11.153 -5.043 1.00 1.00 O ATOM 0 H GLY X 23 90.786 -9.959 -8.896 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.537 -11.905 -7.704 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.733 -10.932 -6.871 1.00 1.00 H new ATOM 385 N VAL X 24 89.688 -9.888 -6.458 1.00 1.00 N ATOM 386 CA VAL X 24 88.672 -9.590 -5.460 1.00 1.00 C ATOM 387 C VAL X 24 87.463 -10.498 -5.644 1.00 1.00 C ATOM 388 O VAL X 24 86.616 -10.254 -6.501 1.00 1.00 O ATOM 389 CB VAL X 24 88.237 -8.133 -5.587 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.198 -7.808 -4.514 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.460 -7.233 -5.414 1.00 1.00 C ATOM 0 H VAL X 24 89.528 -9.466 -7.373 1.00 1.00 H new ATOM 0 HA VAL X 24 89.095 -9.761 -4.470 1.00 1.00 H new ATOM 0 HB VAL X 24 87.794 -7.965 -6.569 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.891 -6.767 -4.609 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.330 -8.455 -4.640 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.631 -7.970 -3.527 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.159 -6.189 -5.503 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.899 -7.401 -4.431 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.195 -7.466 -6.185 1.00 1.00 H new ATOM 401 N LYS X 25 87.379 -11.541 -4.826 1.00 1.00 N ATOM 402 CA LYS X 25 86.262 -12.472 -4.913 1.00 1.00 C ATOM 403 C LYS X 25 85.140 -12.035 -3.977 1.00 1.00 C ATOM 404 O LYS X 25 84.959 -12.608 -2.902 1.00 1.00 O ATOM 405 CB LYS X 25 86.727 -13.882 -4.540 1.00 1.00 C ATOM 406 CG LYS X 25 85.581 -14.876 -4.747 1.00 1.00 C ATOM 407 CD LYS X 25 86.062 -16.286 -4.400 1.00 1.00 C ATOM 408 CE LYS X 25 84.922 -17.281 -4.620 1.00 1.00 C ATOM 409 NZ LYS X 25 85.384 -18.653 -4.266 1.00 1.00 N ATOM 0 H LYS X 25 88.063 -11.761 -4.103 1.00 1.00 H new ATOM 0 HA LYS X 25 85.888 -12.477 -5.937 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.583 -14.167 -5.152 1.00 1.00 H new ATOM 0 HB3 LYS X 25 87.057 -13.904 -3.501 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.732 -14.605 -4.119 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.237 -14.841 -5.781 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.917 -16.553 -5.021 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.397 -16.323 -3.363 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.062 -17.006 -4.009 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.596 -17.253 -5.660 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.609 -19.330 -4.416 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.192 -18.913 -4.867 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.675 -18.675 -3.268 1.00 1.00 H new ATOM 423 N VAL X 26 84.399 -11.013 -4.393 1.00 1.00 N ATOM 424 CA VAL X 26 83.302 -10.494 -3.587 1.00 1.00 C ATOM 425 C VAL X 26 82.024 -10.384 -4.415 1.00 1.00 C ATOM 426 O VAL X 26 82.053 -9.943 -5.564 1.00 1.00 O ATOM 427 CB VAL X 26 83.669 -9.120 -3.034 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.431 -8.488 -2.409 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.756 -9.268 -1.970 1.00 1.00 C ATOM 0 H VAL X 26 84.538 -10.530 -5.280 1.00 1.00 H new ATOM 0 HA VAL X 26 83.126 -11.186 -2.764 1.00 1.00 H new ATOM 0 HB VAL X 26 84.040 -8.488 -3.841 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.685 -7.505 -2.011 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.654 -8.383 -3.166 1.00 1.00 H new ATOM 0 HG13 VAL X 26 82.067 -9.123 -1.601 1.00 1.00 H new ATOM 0 HG21 VAL X 26 85.016 -8.285 -1.577 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.389 -9.898 -1.160 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.640 -9.727 -2.414 1.00 1.00 H new ATOM 439 N LYS X 27 80.905 -10.788 -3.823 1.00 1.00 N ATOM 440 CA LYS X 27 79.619 -10.730 -4.509 1.00 1.00 C ATOM 441 C LYS X 27 79.154 -9.283 -4.656 1.00 1.00 C ATOM 442 O LYS X 27 79.558 -8.411 -3.886 1.00 1.00 O ATOM 443 CB LYS X 27 78.588 -11.516 -3.705 1.00 1.00 C ATOM 444 CG LYS X 27 79.035 -12.974 -3.603 1.00 1.00 C ATOM 445 CD LYS X 27 78.087 -13.722 -2.670 1.00 1.00 C ATOM 446 CE LYS X 27 78.611 -15.140 -2.434 1.00 1.00 C ATOM 447 NZ LYS X 27 78.637 -15.885 -3.725 1.00 1.00 N ATOM 0 H LYS X 27 80.862 -11.158 -2.873 1.00 1.00 H new ATOM 0 HA LYS X 27 79.728 -11.163 -5.503 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.481 -11.086 -2.709 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.611 -11.455 -4.185 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.035 -13.437 -4.590 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.056 -13.029 -3.225 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.002 -13.192 -1.721 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.088 -13.760 -3.105 1.00 1.00 H new ATOM 0 HE2 LYS X 27 79.612 -15.102 -2.004 1.00 1.00 H new ATOM 0 HE3 LYS X 27 77.976 -15.659 -1.716 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.761 -16.900 -3.537 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.741 -15.734 -4.231 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 79.427 -15.541 -4.308 1.00 1.00 H new ATOM 461 N TYR X 28 78.308 -9.032 -5.650 1.00 1.00 N ATOM 462 CA TYR X 28 77.802 -7.683 -5.885 1.00 1.00 C ATOM 463 C TYR X 28 76.990 -7.193 -4.688 1.00 1.00 C ATOM 464 O TYR X 28 77.134 -6.051 -4.253 1.00 1.00 O ATOM 465 CB TYR X 28 76.922 -7.662 -7.137 1.00 1.00 C ATOM 466 CG TYR X 28 75.585 -8.288 -6.823 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.403 -9.667 -6.973 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.523 -7.484 -6.388 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.159 -10.245 -6.686 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.281 -8.061 -6.102 1.00 1.00 C ATOM 471 CZ TYR X 28 73.099 -9.442 -6.251 1.00 1.00 C ATOM 472 OH TYR X 28 71.874 -10.011 -5.968 1.00 1.00 O ATOM 0 H TYR X 28 77.961 -9.737 -6.300 1.00 1.00 H new ATOM 0 HA TYR X 28 78.656 -7.021 -6.027 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.784 -6.637 -7.480 1.00 1.00 H new ATOM 0 HB3 TYR X 28 77.409 -8.206 -7.946 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.221 -10.286 -7.310 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.663 -6.419 -6.274 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.019 -11.310 -6.801 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.462 -7.442 -5.766 1.00 1.00 H new ATOM 0 HH TYR X 28 71.249 -9.314 -5.677 1.00 1.00 H new ATOM 482 N ALA X 29 76.129 -8.063 -4.169 1.00 1.00 N ATOM 483 CA ALA X 29 75.287 -7.713 -3.033 1.00 1.00 C ATOM 484 C ALA X 29 76.133 -7.367 -1.813 1.00 1.00 C ATOM 485 O ALA X 29 75.789 -6.472 -1.046 1.00 1.00 O ATOM 486 CB ALA X 29 74.363 -8.884 -2.690 1.00 1.00 C ATOM 0 H ALA X 29 75.997 -9.013 -4.517 1.00 1.00 H new ATOM 0 HA ALA X 29 74.694 -6.841 -3.307 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.736 -8.616 -1.840 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.732 -9.113 -3.549 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.962 -9.759 -2.437 1.00 1.00 H new ATOM 492 N ASP X 30 77.237 -8.083 -1.634 1.00 1.00 N ATOM 493 CA ASP X 30 78.108 -7.839 -0.491 1.00 1.00 C ATOM 494 C ASP X 30 78.590 -6.391 -0.489 1.00 1.00 C ATOM 495 O ASP X 30 78.494 -5.701 0.524 1.00 1.00 O ATOM 496 CB ASP X 30 79.310 -8.784 -0.557 1.00 1.00 C ATOM 497 CG ASP X 30 78.967 -10.150 0.041 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.024 -10.225 0.810 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.651 -11.102 -0.296 1.00 1.00 O ATOM 0 H ASP X 30 77.548 -8.828 -2.257 1.00 1.00 H new ATOM 0 HA ASP X 30 77.548 -8.021 0.427 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.625 -8.905 -1.593 1.00 1.00 H new ATOM 0 HB3 ASP X 30 80.150 -8.347 -0.017 1.00 1.00 H new ATOM 504 N LEU X 31 79.089 -5.928 -1.630 1.00 1.00 N ATOM 505 CA LEU X 31 79.554 -4.548 -1.742 1.00 1.00 C ATOM 506 C LEU X 31 78.386 -3.585 -1.601 1.00 1.00 C ATOM 507 O LEU X 31 78.523 -2.510 -1.018 1.00 1.00 O ATOM 508 CB LEU X 31 80.247 -4.317 -3.086 1.00 1.00 C ATOM 509 CG LEU X 31 81.684 -4.836 -3.021 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.271 -4.880 -4.431 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.542 -3.912 -2.143 1.00 1.00 C ATOM 0 H LEU X 31 79.182 -6.480 -2.483 1.00 1.00 H new ATOM 0 HA LEU X 31 80.270 -4.367 -0.940 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.701 -4.827 -3.880 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.245 -3.255 -3.330 1.00 1.00 H new ATOM 0 HG LEU X 31 81.681 -5.837 -2.589 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.295 -5.250 -4.387 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.672 -5.544 -5.054 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.265 -3.878 -4.859 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.563 -4.292 -2.104 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.544 -2.907 -2.566 1.00 1.00 H new ATOM 0 HD23 LEU X 31 82.128 -3.880 -1.135 1.00 1.00 H new ATOM 523 N LEU X 32 77.236 -3.974 -2.146 1.00 1.00 N ATOM 524 CA LEU X 32 76.054 -3.129 -2.079 1.00 1.00 C ATOM 525 C LEU X 32 75.683 -2.877 -0.620 1.00 1.00 C ATOM 526 O LEU X 32 75.379 -1.747 -0.234 1.00 1.00 O ATOM 527 CB LEU X 32 74.889 -3.811 -2.811 1.00 1.00 C ATOM 528 CG LEU X 32 73.652 -2.899 -2.798 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.929 -1.631 -3.611 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.467 -3.642 -3.415 1.00 1.00 C ATOM 0 H LEU X 32 77.101 -4.860 -2.633 1.00 1.00 H new ATOM 0 HA LEU X 32 76.264 -2.174 -2.560 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.176 -4.034 -3.839 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.655 -4.762 -2.332 1.00 1.00 H new ATOM 0 HG LEU X 32 73.422 -2.624 -1.769 1.00 1.00 H new ATOM 0 HD11 LEU X 32 73.048 -0.990 -3.597 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.773 -1.097 -3.175 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.164 -1.903 -4.640 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.589 -2.997 -3.407 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.705 -3.917 -4.442 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.261 -4.543 -2.836 1.00 1.00 H new ATOM 542 N LYS X 33 75.723 -3.929 0.192 1.00 1.00 N ATOM 543 CA LYS X 33 75.403 -3.793 1.608 1.00 1.00 C ATOM 544 C LYS X 33 76.423 -2.888 2.299 1.00 1.00 C ATOM 545 O LYS X 33 76.065 -2.040 3.111 1.00 1.00 O ATOM 546 CB LYS X 33 75.389 -5.167 2.274 1.00 1.00 C ATOM 547 CG LYS X 33 74.212 -5.977 1.727 1.00 1.00 C ATOM 548 CD LYS X 33 74.250 -7.389 2.310 1.00 1.00 C ATOM 549 CE LYS X 33 73.162 -8.240 1.654 1.00 1.00 C ATOM 550 NZ LYS X 33 71.819 -7.752 2.079 1.00 1.00 N ATOM 0 H LYS X 33 75.971 -4.874 -0.102 1.00 1.00 H new ATOM 0 HA LYS X 33 74.415 -3.342 1.701 1.00 1.00 H new ATOM 0 HB2 LYS X 33 76.326 -5.688 2.080 1.00 1.00 H new ATOM 0 HB3 LYS X 33 75.301 -5.060 3.355 1.00 1.00 H new ATOM 0 HG2 LYS X 33 73.271 -5.491 1.985 1.00 1.00 H new ATOM 0 HG3 LYS X 33 74.261 -6.020 0.639 1.00 1.00 H new ATOM 0 HD2 LYS X 33 75.229 -7.838 2.141 1.00 1.00 H new ATOM 0 HD3 LYS X 33 74.098 -7.353 3.389 1.00 1.00 H new ATOM 0 HE2 LYS X 33 73.252 -8.189 0.569 1.00 1.00 H new ATOM 0 HE3 LYS X 33 73.286 -9.286 1.935 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 71.093 -8.437 1.787 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.800 -7.646 3.113 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.627 -6.832 1.633 1.00 1.00 H new ATOM 564 N PHE X 34 77.698 -3.082 1.971 1.00 1.00 N ATOM 565 CA PHE X 34 78.763 -2.284 2.568 1.00 1.00 C ATOM 566 C PHE X 34 78.579 -0.801 2.216 1.00 1.00 C ATOM 567 O PHE X 34 78.732 0.074 3.067 1.00 1.00 O ATOM 568 CB PHE X 34 80.121 -2.780 2.061 1.00 1.00 C ATOM 569 CG PHE X 34 81.180 -2.521 3.109 1.00 1.00 C ATOM 570 CD1 PHE X 34 81.540 -1.210 3.439 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.791 -3.600 3.759 1.00 1.00 C ATOM 572 CE1 PHE X 34 82.511 -0.976 4.420 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.761 -3.367 4.740 1.00 1.00 C ATOM 574 CZ PHE X 34 83.122 -2.055 5.070 1.00 1.00 C ATOM 0 H PHE X 34 78.016 -3.780 1.299 1.00 1.00 H new ATOM 0 HA PHE X 34 78.722 -2.390 3.652 1.00 1.00 H new ATOM 0 HB2 PHE X 34 80.070 -3.846 1.837 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.382 -2.271 1.133 1.00 1.00 H new ATOM 0 HD1 PHE X 34 81.069 -0.378 2.937 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.514 -4.612 3.503 1.00 1.00 H new ATOM 0 HE1 PHE X 34 82.789 0.036 4.675 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.231 -4.199 5.243 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.872 -1.875 5.826 1.00 1.00 H new ATOM 584 N PHE X 35 78.260 -0.526 0.951 1.00 1.00 N ATOM 585 CA PHE X 35 78.070 0.856 0.502 1.00 1.00 C ATOM 586 C PHE X 35 76.982 1.562 1.311 1.00 1.00 C ATOM 587 O PHE X 35 77.156 2.704 1.745 1.00 1.00 O ATOM 588 CB PHE X 35 77.682 0.877 -0.980 1.00 1.00 C ATOM 589 CG PHE X 35 78.912 1.097 -1.829 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.565 2.335 -1.797 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.395 0.072 -2.651 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.701 2.547 -2.586 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.532 0.284 -3.441 1.00 1.00 C ATOM 594 CZ PHE X 35 81.184 1.522 -3.409 1.00 1.00 C ATOM 0 H PHE X 35 78.129 -1.231 0.226 1.00 1.00 H new ATOM 0 HA PHE X 35 79.012 1.383 0.651 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.204 -0.064 -1.253 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.956 1.669 -1.164 1.00 1.00 H new ATOM 0 HD1 PHE X 35 79.192 3.126 -1.164 1.00 1.00 H new ATOM 0 HD2 PHE X 35 78.891 -0.883 -2.676 1.00 1.00 H new ATOM 0 HE1 PHE X 35 81.206 3.502 -2.560 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.905 -0.507 -4.074 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.060 1.687 -4.019 1.00 1.00 H new ATOM 604 N ASP X 36 75.859 0.892 1.516 1.00 1.00 N ATOM 605 CA ASP X 36 74.778 1.496 2.276 1.00 1.00 C ATOM 606 C ASP X 36 75.148 1.562 3.759 1.00 1.00 C ATOM 607 O ASP X 36 74.615 2.383 4.509 1.00 1.00 O ATOM 608 CB ASP X 36 73.471 0.710 2.070 1.00 1.00 C ATOM 609 CG ASP X 36 73.557 -0.672 2.715 1.00 1.00 C ATOM 610 OD1 ASP X 36 74.202 -0.779 3.743 1.00 1.00 O ATOM 611 OD2 ASP X 36 73.000 -1.604 2.157 1.00 1.00 O ATOM 0 H ASP X 36 75.674 -0.051 1.174 1.00 1.00 H new ATOM 0 HA ASP X 36 74.621 2.513 1.916 1.00 1.00 H new ATOM 0 HB2 ASP X 36 72.637 1.265 2.500 1.00 1.00 H new ATOM 0 HB3 ASP X 36 73.269 0.606 1.004 1.00 1.00 H new ATOM 616 N PHE X 37 76.046 0.668 4.175 1.00 1.00 N ATOM 617 CA PHE X 37 76.463 0.596 5.573 1.00 1.00 C ATOM 618 C PHE X 37 77.101 1.907 6.030 1.00 1.00 C ATOM 619 O PHE X 37 76.698 2.478 7.045 1.00 1.00 O ATOM 620 CB PHE X 37 77.476 -0.538 5.745 1.00 1.00 C ATOM 621 CG PHE X 37 77.640 -0.846 7.208 1.00 1.00 C ATOM 622 CD1 PHE X 37 76.784 -1.770 7.820 1.00 1.00 C ATOM 623 CD2 PHE X 37 78.637 -0.212 7.958 1.00 1.00 C ATOM 624 CE1 PHE X 37 76.927 -2.060 9.182 1.00 1.00 C ATOM 625 CE2 PHE X 37 78.781 -0.503 9.320 1.00 1.00 C ATOM 626 CZ PHE X 37 77.925 -1.428 9.932 1.00 1.00 C ATOM 0 H PHE X 37 76.497 -0.014 3.565 1.00 1.00 H new ATOM 0 HA PHE X 37 75.578 0.411 6.181 1.00 1.00 H new ATOM 0 HB2 PHE X 37 77.138 -1.426 5.211 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.435 -0.252 5.313 1.00 1.00 H new ATOM 0 HD1 PHE X 37 76.014 -2.259 7.242 1.00 1.00 H new ATOM 0 HD2 PHE X 37 79.296 0.502 7.486 1.00 1.00 H new ATOM 0 HE1 PHE X 37 76.267 -2.772 9.654 1.00 1.00 H new ATOM 0 HE2 PHE X 37 79.551 -0.015 9.898 1.00 1.00 H new ATOM 0 HZ PHE X 37 78.035 -1.653 10.982 1.00 1.00 H new ATOM 636 N VAL X 38 78.090 2.385 5.279 1.00 1.00 N ATOM 637 CA VAL X 38 78.752 3.639 5.636 1.00 1.00 C ATOM 638 C VAL X 38 77.782 4.797 5.478 1.00 1.00 C ATOM 639 O VAL X 38 77.778 5.722 6.280 1.00 1.00 O ATOM 640 CB VAL X 38 79.996 3.868 4.766 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.589 3.969 3.302 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.697 5.172 5.173 1.00 1.00 C ATOM 0 H VAL X 38 78.446 1.935 4.436 1.00 1.00 H new ATOM 0 HA VAL X 38 79.072 3.578 6.676 1.00 1.00 H new ATOM 0 HB VAL X 38 80.676 3.028 4.908 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.475 4.132 2.688 1.00 1.00 H new ATOM 0 HG12 VAL X 38 79.100 3.044 2.996 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.900 4.804 3.173 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.577 5.322 4.548 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.012 6.010 5.042 1.00 1.00 H new ATOM 0 HG23 VAL X 38 81.000 5.111 6.218 1.00 1.00 H new ATOM 652 N LYS X 39 76.955 4.743 4.441 1.00 1.00 N ATOM 653 CA LYS X 39 75.986 5.811 4.209 1.00 1.00 C ATOM 654 C LYS X 39 74.962 5.873 5.339 1.00 1.00 C ATOM 655 O LYS X 39 74.365 6.920 5.589 1.00 1.00 O ATOM 656 CB LYS X 39 75.267 5.599 2.878 1.00 1.00 C ATOM 657 CG LYS X 39 76.268 5.768 1.737 1.00 1.00 C ATOM 658 CD LYS X 39 75.564 5.541 0.400 1.00 1.00 C ATOM 659 CE LYS X 39 76.587 5.627 -0.735 1.00 1.00 C ATOM 660 NZ LYS X 39 77.196 6.987 -0.753 1.00 1.00 N ATOM 0 H LYS X 39 76.933 3.986 3.757 1.00 1.00 H new ATOM 0 HA LYS X 39 76.530 6.755 4.177 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.823 4.604 2.845 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.452 6.315 2.773 1.00 1.00 H new ATOM 0 HG2 LYS X 39 76.702 6.767 1.766 1.00 1.00 H new ATOM 0 HG3 LYS X 39 77.089 5.060 1.852 1.00 1.00 H new ATOM 0 HD2 LYS X 39 75.078 4.565 0.393 1.00 1.00 H new ATOM 0 HD3 LYS X 39 74.782 6.287 0.257 1.00 1.00 H new ATOM 0 HE2 LYS X 39 77.361 4.872 -0.599 1.00 1.00 H new ATOM 0 HE3 LYS X 39 76.104 5.420 -1.690 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 77.647 7.153 -1.675 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 76.456 7.701 -0.596 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 77.911 7.057 -0.001 1.00 1.00 H new ATOM 674 N ASP X 40 74.750 4.745 6.008 1.00 1.00 N ATOM 675 CA ASP X 40 73.776 4.689 7.099 1.00 1.00 C ATOM 676 C ASP X 40 74.291 5.401 8.348 1.00 1.00 C ATOM 677 O ASP X 40 73.609 6.258 8.907 1.00 1.00 O ATOM 678 CB ASP X 40 73.463 3.233 7.444 1.00 1.00 C ATOM 679 CG ASP X 40 72.654 2.590 6.324 1.00 1.00 C ATOM 680 OD1 ASP X 40 72.186 3.315 5.462 1.00 1.00 O ATOM 681 OD2 ASP X 40 72.513 1.378 6.346 1.00 1.00 O ATOM 0 H ASP X 40 75.231 3.866 5.820 1.00 1.00 H new ATOM 0 HA ASP X 40 72.872 5.196 6.761 1.00 1.00 H new ATOM 0 HB2 ASP X 40 74.390 2.680 7.597 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.905 3.185 8.379 1.00 1.00 H new ATOM 836 N ILE X 51 94.688 7.485 -0.420 1.00 1.00 N ATOM 837 CA ILE X 51 93.561 6.557 -0.495 1.00 1.00 C ATOM 838 C ILE X 51 92.393 7.055 0.352 1.00 1.00 C ATOM 839 O ILE X 51 92.463 7.059 1.578 1.00 1.00 O ATOM 840 CB ILE X 51 93.992 5.169 0.009 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.049 4.559 -0.921 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.776 4.244 0.050 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.835 3.486 -0.170 1.00 1.00 C ATOM 0 HA ILE X 51 93.243 6.492 -1.535 1.00 1.00 H new ATOM 0 HB ILE X 51 94.418 5.279 1.006 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.569 4.125 -1.798 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.725 5.336 -1.279 1.00 1.00 H new ATOM 0 HG21 ILE X 51 93.079 3.260 0.407 1.00 1.00 H new ATOM 0 HG22 ILE X 51 92.026 4.659 0.723 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.354 4.153 -0.951 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.585 3.054 -0.832 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.328 3.933 0.693 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.154 2.704 0.166 1.00 1.00 H new ATOM 855 N ASP X 52 91.322 7.471 -0.314 1.00 1.00 N ATOM 856 CA ASP X 52 90.137 7.958 0.383 1.00 1.00 C ATOM 857 C ASP X 52 89.364 6.801 1.004 1.00 1.00 C ATOM 858 O ASP X 52 88.792 6.930 2.086 1.00 1.00 O ATOM 859 CB ASP X 52 89.234 8.706 -0.592 1.00 1.00 C ATOM 860 CG ASP X 52 87.856 8.915 0.027 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.759 8.905 1.243 1.00 1.00 O ATOM 862 OD2 ASP X 52 86.914 9.074 -0.732 1.00 1.00 O ATOM 0 H ASP X 52 91.249 7.481 -1.331 1.00 1.00 H new ATOM 0 HA ASP X 52 90.458 8.632 1.177 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.678 9.669 -0.845 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.143 8.143 -1.521 1.00 1.00 H new ATOM 867 N ILE X 53 89.340 5.677 0.298 1.00 1.00 N ATOM 868 CA ILE X 53 88.622 4.507 0.772 1.00 1.00 C ATOM 869 C ILE X 53 89.071 4.120 2.173 1.00 1.00 C ATOM 870 O ILE X 53 88.326 3.491 2.914 1.00 1.00 O ATOM 871 CB ILE X 53 88.847 3.337 -0.186 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.141 3.649 -1.502 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.286 2.050 0.416 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.487 2.597 -2.555 1.00 1.00 C ATOM 0 H ILE X 53 89.808 5.554 -0.600 1.00 1.00 H new ATOM 0 HA ILE X 53 87.560 4.750 0.808 1.00 1.00 H new ATOM 0 HB ILE X 53 89.914 3.198 -0.359 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.063 3.676 -1.346 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.436 4.637 -1.855 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.452 1.223 -0.274 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.789 1.841 1.360 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.217 2.167 0.592 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.975 2.834 -3.488 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.564 2.591 -2.723 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.169 1.615 -2.206 1.00 1.00 H new ATOM 886 N LYS X 54 90.282 4.510 2.542 1.00 1.00 N ATOM 887 CA LYS X 54 90.793 4.173 3.857 1.00 1.00 C ATOM 888 C LYS X 54 89.775 4.522 4.930 1.00 1.00 C ATOM 889 O LYS X 54 89.518 3.725 5.830 1.00 1.00 O ATOM 890 CB LYS X 54 92.083 4.946 4.126 1.00 1.00 C ATOM 891 CG LYS X 54 93.294 4.045 3.894 1.00 1.00 C ATOM 892 CD LYS X 54 94.577 4.860 4.064 1.00 1.00 C ATOM 893 CE LYS X 54 95.789 3.945 3.876 1.00 1.00 C ATOM 894 NZ LYS X 54 97.043 4.728 4.064 1.00 1.00 N ATOM 0 H LYS X 54 90.919 5.052 1.958 1.00 1.00 H new ATOM 0 HA LYS X 54 90.990 3.101 3.884 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.137 5.816 3.472 1.00 1.00 H new ATOM 0 HB3 LYS X 54 92.087 5.316 5.151 1.00 1.00 H new ATOM 0 HG2 LYS X 54 93.283 3.214 4.599 1.00 1.00 H new ATOM 0 HG3 LYS X 54 93.254 3.615 2.893 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.604 5.672 3.337 1.00 1.00 H new ATOM 0 HD3 LYS X 54 94.602 5.317 5.053 1.00 1.00 H new ATOM 0 HE2 LYS X 54 95.751 3.123 4.591 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.771 3.502 2.880 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 97.865 4.104 3.936 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 97.080 5.497 3.365 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 97.061 5.130 5.023 1.00 1.00 H new ATOM 908 N ARG X 55 89.194 5.707 4.831 1.00 1.00 N ATOM 909 CA ARG X 55 88.201 6.134 5.804 1.00 1.00 C ATOM 910 C ARG X 55 86.922 5.307 5.682 1.00 1.00 C ATOM 911 O ARG X 55 86.253 5.035 6.681 1.00 1.00 O ATOM 912 CB ARG X 55 87.881 7.619 5.623 1.00 1.00 C ATOM 913 CG ARG X 55 86.910 8.065 6.719 1.00 1.00 C ATOM 914 CD ARG X 55 86.675 9.570 6.610 1.00 1.00 C ATOM 915 NE ARG X 55 87.905 10.290 6.912 1.00 1.00 N ATOM 916 CZ ARG X 55 88.253 10.554 8.167 1.00 1.00 C ATOM 917 NH1 ARG X 55 87.487 10.171 9.152 1.00 1.00 N ATOM 918 NH2 ARG X 55 89.362 11.196 8.417 1.00 1.00 N ATOM 0 H ARG X 55 89.390 6.385 4.094 1.00 1.00 H new ATOM 0 HA ARG X 55 88.618 5.978 6.799 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.797 8.208 5.671 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.442 7.791 4.640 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.965 7.531 6.622 1.00 1.00 H new ATOM 0 HG3 ARG X 55 87.315 7.820 7.701 1.00 1.00 H new ATOM 0 HD2 ARG X 55 86.334 9.821 5.606 1.00 1.00 H new ATOM 0 HD3 ARG X 55 85.887 9.874 7.299 1.00 1.00 H new ATOM 0 HE ARG X 55 88.508 10.596 6.149 1.00 1.00 H new ATOM 0 HH11 ARG X 55 86.621 9.669 8.959 1.00 1.00 H new ATOM 0 HH12 ARG X 55 87.755 10.374 10.115 1.00 1.00 H new ATOM 0 HH21 ARG X 55 89.962 11.495 7.649 1.00 1.00 H new ATOM 0 HH22 ARG X 55 89.628 11.398 9.381 1.00 1.00 H new ATOM 932 N TRP X 56 86.569 4.934 4.452 1.00 1.00 N ATOM 933 CA TRP X 56 85.350 4.168 4.225 1.00 1.00 C ATOM 934 C TRP X 56 85.419 2.816 4.940 1.00 1.00 C ATOM 935 O TRP X 56 84.536 2.468 5.730 1.00 1.00 O ATOM 936 CB TRP X 56 85.146 3.954 2.713 1.00 1.00 C ATOM 937 CG TRP X 56 83.975 3.045 2.464 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.965 2.836 3.339 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.673 2.237 1.289 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.062 1.952 2.777 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.455 1.554 1.514 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.331 2.034 0.063 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.909 0.698 0.556 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.785 1.173 -0.903 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.575 0.507 -0.657 1.00 1.00 C ATOM 0 H TRP X 56 87.103 5.147 3.610 1.00 1.00 H new ATOM 0 HA TRP X 56 84.506 4.727 4.629 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.980 4.913 2.223 1.00 1.00 H new ATOM 0 HB3 TRP X 56 86.047 3.524 2.276 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.878 3.286 4.317 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.210 1.633 3.239 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.262 2.543 -0.137 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.978 0.187 0.751 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.300 1.023 -1.841 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.159 -0.152 -1.404 1.00 1.00 H new ATOM 956 N ARG X 57 86.477 2.062 4.669 1.00 1.00 N ATOM 957 CA ARG X 57 86.644 0.758 5.301 1.00 1.00 C ATOM 958 C ARG X 57 86.875 0.920 6.800 1.00 1.00 C ATOM 959 O ARG X 57 86.523 0.048 7.584 1.00 1.00 O ATOM 960 CB ARG X 57 87.811 -0.009 4.680 1.00 1.00 C ATOM 961 CG ARG X 57 87.899 0.285 3.180 1.00 1.00 C ATOM 962 CD ARG X 57 86.536 0.085 2.508 1.00 1.00 C ATOM 963 NE ARG X 57 86.695 -0.220 1.091 1.00 1.00 N ATOM 964 CZ ARG X 57 85.665 -0.629 0.357 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.487 -0.759 0.903 1.00 1.00 N ATOM 966 NH2 ARG X 57 85.831 -0.900 -0.908 1.00 1.00 N ATOM 0 H ARG X 57 87.223 2.325 4.025 1.00 1.00 H new ATOM 0 HA ARG X 57 85.729 0.189 5.137 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.743 0.275 5.169 1.00 1.00 H new ATOM 0 HB3 ARG X 57 87.679 -1.079 4.841 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.240 1.308 3.024 1.00 1.00 H new ATOM 0 HG3 ARG X 57 88.637 -0.371 2.718 1.00 1.00 H new ATOM 0 HD2 ARG X 57 85.998 -0.725 3.001 1.00 1.00 H new ATOM 0 HD3 ARG X 57 85.933 0.985 2.625 1.00 1.00 H new ATOM 0 HE ARG X 57 87.612 -0.118 0.656 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.357 -0.547 1.892 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.696 -1.073 0.341 1.00 1.00 H new ATOM 0 HH21 ARG X 57 86.752 -0.798 -1.335 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.040 -1.214 -1.470 1.00 1.00 H new ATOM 980 N ARG X 58 87.478 2.038 7.190 1.00 1.00 N ATOM 981 CA ARG X 58 87.753 2.295 8.598 1.00 1.00 C ATOM 982 C ARG X 58 86.461 2.330 9.410 1.00 1.00 C ATOM 983 O ARG X 58 86.384 1.752 10.494 1.00 1.00 O ATOM 984 CB ARG X 58 88.481 3.628 8.731 1.00 1.00 C ATOM 985 CG ARG X 58 88.811 3.901 10.194 1.00 1.00 C ATOM 986 CD ARG X 58 89.636 5.179 10.274 1.00 1.00 C ATOM 987 NE ARG X 58 90.979 4.944 9.758 1.00 1.00 N ATOM 988 CZ ARG X 58 91.914 4.357 10.498 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.639 3.976 11.715 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.107 4.162 10.007 1.00 1.00 N ATOM 0 H ARG X 58 87.784 2.776 6.555 1.00 1.00 H new ATOM 0 HA ARG X 58 88.376 1.489 8.986 1.00 1.00 H new ATOM 0 HB2 ARG X 58 89.397 3.611 8.140 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.860 4.431 8.334 1.00 1.00 H new ATOM 0 HG2 ARG X 58 87.895 4.005 10.776 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.366 3.065 10.619 1.00 1.00 H new ATOM 0 HD2 ARG X 58 89.152 5.970 9.701 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.690 5.521 11.307 1.00 1.00 H new ATOM 0 HE ARG X 58 91.206 5.237 8.808 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.706 4.129 12.099 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.357 3.525 12.283 1.00 1.00 H new ATOM 0 HH21 ARG X 58 93.322 4.460 9.055 1.00 1.00 H new ATOM 0 HH22 ARG X 58 93.825 3.712 10.575 1.00 1.00 H new ATOM 1004 N VAL X 59 85.451 3.006 8.879 1.00 1.00 N ATOM 1005 CA VAL X 59 84.165 3.102 9.563 1.00 1.00 C ATOM 1006 C VAL X 59 83.533 1.726 9.673 1.00 1.00 C ATOM 1007 O VAL X 59 83.006 1.360 10.721 1.00 1.00 O ATOM 1008 CB VAL X 59 83.230 4.041 8.791 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.858 4.087 9.467 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.828 5.449 8.766 1.00 1.00 C ATOM 0 H VAL X 59 85.494 3.493 7.984 1.00 1.00 H new ATOM 0 HA VAL X 59 84.326 3.502 10.564 1.00 1.00 H new ATOM 0 HB VAL X 59 83.116 3.670 7.772 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.201 4.756 8.912 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.427 3.086 9.483 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.968 4.451 10.488 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.164 6.117 8.217 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.946 5.812 9.787 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.801 5.422 8.276 1.00 1.00 H new ATOM 1020 N GLY X 60 83.589 0.966 8.587 1.00 1.00 N ATOM 1021 CA GLY X 60 83.014 -0.366 8.586 1.00 1.00 C ATOM 1022 C GLY X 60 83.783 -1.289 9.519 1.00 1.00 C ATOM 1023 O GLY X 60 83.186 -2.028 10.283 1.00 1.00 O ATOM 0 H GLY X 60 84.022 1.247 7.707 1.00 1.00 H new ATOM 0 HA2 GLY X 60 81.970 -0.316 8.896 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.027 -0.772 7.574 1.00 1.00 H new ATOM 1027 N ASP X 61 85.108 -1.240 9.458 1.00 1.00 N ATOM 1028 CA ASP X 61 85.932 -2.084 10.312 1.00 1.00 C ATOM 1029 C ASP X 61 85.616 -1.833 11.783 1.00 1.00 C ATOM 1030 O ASP X 61 85.501 -2.772 12.573 1.00 1.00 O ATOM 1031 CB ASP X 61 87.411 -1.788 10.059 1.00 1.00 C ATOM 1032 CG ASP X 61 88.282 -2.620 10.994 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.736 -3.452 11.700 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.483 -2.410 10.993 1.00 1.00 O ATOM 0 H ASP X 61 85.631 -0.629 8.831 1.00 1.00 H new ATOM 0 HA ASP X 61 85.716 -3.126 10.076 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.662 -2.011 9.022 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.609 -0.727 10.214 1.00 1.00 H new ATOM 1039 N CYS X 62 85.479 -0.564 12.150 1.00 1.00 N ATOM 1040 CA CYS X 62 85.180 -0.216 13.539 1.00 1.00 C ATOM 1041 C CYS X 62 83.776 -0.683 13.919 1.00 1.00 C ATOM 1042 O CYS X 62 83.588 -1.486 14.848 1.00 1.00 O ATOM 1043 CB CYS X 62 85.278 1.298 13.725 1.00 1.00 C ATOM 1044 SG CYS X 62 86.924 1.859 13.225 1.00 1.00 S ATOM 0 H CYS X 62 85.568 0.232 11.518 1.00 1.00 H new ATOM 0 HA CYS X 62 85.904 -0.714 14.184 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.515 1.799 13.130 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.093 1.560 14.767 1.00 1.00 H new ATOM 0 HG CYS X 62 86.982 1.933 11.928 1.00 1.00 H new ATOM 1050 N PHE X 63 82.791 -0.190 13.182 1.00 1.00 N ATOM 1051 CA PHE X 63 81.414 -0.563 13.437 1.00 1.00 C ATOM 1052 C PHE X 63 81.246 -2.072 13.296 1.00 1.00 C ATOM 1053 O PHE X 63 80.388 -2.672 13.937 1.00 1.00 O ATOM 1054 CB PHE X 63 80.481 0.163 12.474 1.00 1.00 C ATOM 1055 CG PHE X 63 79.938 1.401 13.146 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.944 1.286 14.125 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.428 2.663 12.790 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.440 2.434 14.748 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.924 3.810 13.412 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.929 3.696 14.392 1.00 1.00 C ATOM 0 H PHE X 63 82.921 0.464 12.410 1.00 1.00 H new ATOM 0 HA PHE X 63 81.156 -0.273 14.456 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.017 0.434 11.565 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.662 -0.493 12.178 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.566 0.312 14.400 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.195 2.751 12.035 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.673 2.346 15.504 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.302 4.784 13.137 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.540 4.582 14.872 1.00 1.00 H new ATOM 1070 N GLN X 64 82.080 -2.676 12.454 1.00 1.00 N ATOM 1071 CA GLN X 64 82.035 -4.117 12.233 1.00 1.00 C ATOM 1072 C GLN X 64 82.376 -4.846 13.518 1.00 1.00 C ATOM 1073 O GLN X 64 81.805 -5.889 13.814 1.00 1.00 O ATOM 1074 CB GLN X 64 83.028 -4.518 11.133 1.00 1.00 C ATOM 1075 CG GLN X 64 83.255 -6.036 11.135 1.00 1.00 C ATOM 1076 CD GLN X 64 84.220 -6.418 10.030 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.002 -6.104 8.860 1.00 1.00 O ATOM 1078 NE2 GLN X 64 85.289 -7.102 10.336 1.00 1.00 N ATOM 0 H GLN X 64 82.795 -2.189 11.914 1.00 1.00 H new ATOM 0 HA GLN X 64 81.028 -4.391 11.918 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.648 -4.203 10.161 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.976 -4.003 11.287 1.00 1.00 H new ATOM 0 HG2 GLN X 64 83.651 -6.351 12.100 1.00 1.00 H new ATOM 0 HG3 GLN X 64 82.306 -6.554 10.995 1.00 1.00 H new ATOM 0 HE21 GLN X 64 85.468 -7.361 11.306 1.00 1.00 H new ATOM 0 HE22 GLN X 64 85.945 -7.377 9.605 1.00 1.00 H new ATOM 1087 N ASP X 65 83.324 -4.313 14.273 1.00 1.00 N ATOM 1088 CA ASP X 65 83.718 -4.965 15.510 1.00 1.00 C ATOM 1089 C ASP X 65 82.516 -5.066 16.438 1.00 1.00 C ATOM 1090 O ASP X 65 82.268 -6.114 17.032 1.00 1.00 O ATOM 1091 CB ASP X 65 84.839 -4.179 16.190 1.00 1.00 C ATOM 1092 CG ASP X 65 86.138 -4.348 15.408 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.155 -5.159 14.498 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.096 -3.665 15.732 1.00 1.00 O ATOM 0 H ASP X 65 83.824 -3.451 14.058 1.00 1.00 H new ATOM 0 HA ASP X 65 84.084 -5.966 15.283 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.573 -3.124 16.247 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.972 -4.529 17.214 1.00 1.00 H new ATOM 1099 N TYR X 66 81.765 -3.975 16.552 1.00 1.00 N ATOM 1100 CA TYR X 66 80.577 -3.979 17.415 1.00 1.00 C ATOM 1101 C TYR X 66 79.430 -4.771 16.786 1.00 1.00 C ATOM 1102 O TYR X 66 78.776 -5.569 17.455 1.00 1.00 O ATOM 1103 CB TYR X 66 80.130 -2.544 17.687 1.00 1.00 C ATOM 1104 CG TYR X 66 81.238 -1.801 18.393 1.00 1.00 C ATOM 1105 CD1 TYR X 66 81.337 -1.844 19.789 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.168 -1.068 17.647 1.00 1.00 C ATOM 1107 CE1 TYR X 66 82.367 -1.155 20.439 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.199 -0.377 18.298 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.299 -0.421 19.694 1.00 1.00 C ATOM 1110 OH TYR X 66 84.315 0.256 20.335 1.00 1.00 O ATOM 0 H TYR X 66 81.947 -3.093 16.072 1.00 1.00 H new ATOM 0 HA TYR X 66 80.844 -4.464 18.354 1.00 1.00 H new ATOM 0 HB2 TYR X 66 79.881 -2.045 16.750 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.228 -2.542 18.299 1.00 1.00 H new ATOM 0 HD1 TYR X 66 80.618 -2.409 20.364 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.091 -1.035 16.570 1.00 1.00 H new ATOM 0 HE1 TYR X 66 82.443 -1.189 21.516 1.00 1.00 H new ATOM 0 HE2 TYR X 66 83.916 0.189 17.723 1.00 1.00 H new ATOM 0 HH TYR X 66 84.873 0.713 19.672 1.00 1.00 H new ATOM 1120 N TYR X 67 79.195 -4.546 15.499 1.00 1.00 N ATOM 1121 CA TYR X 67 78.126 -5.238 14.783 1.00 1.00 C ATOM 1122 C TYR X 67 78.368 -6.746 14.771 1.00 1.00 C ATOM 1123 O TYR X 67 77.440 -7.533 14.944 1.00 1.00 O ATOM 1124 CB TYR X 67 78.049 -4.707 13.351 1.00 1.00 C ATOM 1125 CG TYR X 67 77.087 -3.544 13.286 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.108 -2.554 14.276 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.169 -3.461 12.233 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.211 -1.482 14.213 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.271 -2.389 12.169 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.292 -1.399 13.159 1.00 1.00 C ATOM 1131 OH TYR X 67 74.408 -0.342 13.096 1.00 1.00 O ATOM 0 H TYR X 67 79.729 -3.890 14.928 1.00 1.00 H new ATOM 0 HA TYR X 67 77.181 -5.051 15.294 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.038 -4.392 13.017 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.722 -5.499 12.677 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.817 -2.618 15.088 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.153 -4.224 11.469 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.227 -0.719 14.977 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.562 -2.326 11.356 1.00 1.00 H new ATOM 0 HH TYR X 67 73.841 -0.436 12.302 1.00 1.00 H new ATOM 1141 N ASN X 68 79.616 -7.145 14.566 1.00 1.00 N ATOM 1142 CA ASN X 68 79.956 -8.558 14.538 1.00 1.00 C ATOM 1143 C ASN X 68 79.678 -9.192 15.894 1.00 1.00 C ATOM 1144 O ASN X 68 79.118 -10.285 15.976 1.00 1.00 O ATOM 1145 CB ASN X 68 81.433 -8.729 14.188 1.00 1.00 C ATOM 1146 CG ASN X 68 81.646 -8.503 12.694 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.759 -8.655 12.193 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.636 -8.144 11.949 1.00 1.00 N ATOM 0 H ASN X 68 80.404 -6.514 14.418 1.00 1.00 H new ATOM 0 HA ASN X 68 79.345 -9.051 13.782 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.035 -8.023 14.760 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.767 -9.729 14.464 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.769 -7.989 10.950 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.714 -8.018 12.366 1.00 1.00 H new ATOM 1155 N THR X 69 80.061 -8.492 16.959 1.00 1.00 N ATOM 1156 CA THR X 69 79.832 -8.997 18.307 1.00 1.00 C ATOM 1157 C THR X 69 78.338 -9.095 18.579 1.00 1.00 C ATOM 1158 O THR X 69 77.851 -10.110 19.078 1.00 1.00 O ATOM 1159 CB THR X 69 80.487 -8.073 19.335 1.00 1.00 C ATOM 1160 OG1 THR X 69 81.893 -8.065 19.132 1.00 1.00 O ATOM 1161 CG2 THR X 69 80.173 -8.577 20.746 1.00 1.00 C ATOM 0 H THR X 69 80.525 -7.585 16.915 1.00 1.00 H new ATOM 0 HA THR X 69 80.276 -9.989 18.390 1.00 1.00 H new ATOM 0 HB THR X 69 80.098 -7.061 19.219 1.00 1.00 H new ATOM 0 HG1 THR X 69 82.119 -7.413 18.437 1.00 1.00 H new ATOM 0 HG21 THR X 69 80.639 -7.919 21.479 1.00 1.00 H new ATOM 0 HG22 THR X 69 79.094 -8.583 20.898 1.00 1.00 H new ATOM 0 HG23 THR X 69 80.562 -9.588 20.866 1.00 1.00 H new ATOM 1169 N PHE X 70 77.611 -8.034 18.240 1.00 1.00 N ATOM 1170 CA PHE X 70 76.165 -8.021 18.447 1.00 1.00 C ATOM 1171 C PHE X 70 75.483 -9.114 17.626 1.00 1.00 C ATOM 1172 O PHE X 70 74.533 -9.746 18.091 1.00 1.00 O ATOM 1173 CB PHE X 70 75.583 -6.656 18.064 1.00 1.00 C ATOM 1174 CG PHE X 70 75.561 -5.755 19.276 1.00 1.00 C ATOM 1175 CD1 PHE X 70 74.713 -6.056 20.349 1.00 1.00 C ATOM 1176 CD2 PHE X 70 76.381 -4.620 19.329 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.685 -5.224 21.474 1.00 1.00 C ATOM 1178 CE2 PHE X 70 76.352 -3.788 20.454 1.00 1.00 C ATOM 1179 CZ PHE X 70 75.505 -4.090 21.527 1.00 1.00 C ATOM 0 H PHE X 70 77.992 -7.183 17.826 1.00 1.00 H new ATOM 0 HA PHE X 70 75.979 -8.210 19.504 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.181 -6.204 17.273 1.00 1.00 H new ATOM 0 HB3 PHE X 70 74.574 -6.777 17.670 1.00 1.00 H new ATOM 0 HD1 PHE X 70 74.080 -6.930 20.308 1.00 1.00 H new ATOM 0 HD2 PHE X 70 77.035 -4.387 18.502 1.00 1.00 H new ATOM 0 HE1 PHE X 70 74.031 -5.457 22.301 1.00 1.00 H new ATOM 0 HE2 PHE X 70 76.983 -2.913 20.494 1.00 1.00 H new ATOM 0 HZ PHE X 70 75.484 -3.448 22.396 1.00 1.00 H new ATOM 1189 N GLY X 71 75.957 -9.321 16.399 1.00 1.00 N ATOM 1190 CA GLY X 71 75.367 -10.326 15.524 1.00 1.00 C ATOM 1191 C GLY X 71 75.312 -9.834 14.076 1.00 1.00 C ATOM 1192 O GLY X 71 75.679 -10.563 13.155 1.00 1.00 O ATOM 0 H GLY X 71 76.741 -8.810 15.993 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.950 -11.246 15.577 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.361 -10.566 15.868 1.00 1.00 H new ATOM 1196 N PRO X 72 74.860 -8.619 13.855 1.00 1.00 N ATOM 1197 CA PRO X 72 74.757 -8.038 12.480 1.00 1.00 C ATOM 1198 C PRO X 72 76.031 -8.231 11.662 1.00 1.00 C ATOM 1199 O PRO X 72 76.979 -7.460 11.769 1.00 1.00 O ATOM 1200 CB PRO X 72 74.491 -6.553 12.736 1.00 1.00 C ATOM 1201 CG PRO X 72 73.857 -6.483 14.083 1.00 1.00 C ATOM 1202 CD PRO X 72 74.388 -7.670 14.882 1.00 1.00 C ATOM 0 HA PRO X 72 73.978 -8.524 11.893 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.417 -5.979 12.709 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.835 -6.135 11.972 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.102 -5.543 14.578 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.771 -6.526 14.002 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.197 -7.371 15.549 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.609 -8.112 15.504 1.00 1.00 H new ATOM 1210 N GLU X 73 76.035 -9.267 10.834 1.00 1.00 N ATOM 1211 CA GLU X 73 77.182 -9.558 9.985 1.00 1.00 C ATOM 1212 C GLU X 73 77.040 -8.881 8.623 1.00 1.00 C ATOM 1213 O GLU X 73 77.875 -9.082 7.741 1.00 1.00 O ATOM 1214 CB GLU X 73 77.330 -11.072 9.814 1.00 1.00 C ATOM 1215 CG GLU X 73 76.098 -11.633 9.100 1.00 1.00 C ATOM 1216 CD GLU X 73 76.201 -13.151 9.005 1.00 1.00 C ATOM 1217 OE1 GLU X 73 77.285 -13.635 8.724 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.195 -13.808 9.216 1.00 1.00 O ATOM 0 H GLU X 73 75.257 -9.919 10.732 1.00 1.00 H new ATOM 0 HA GLU X 73 78.077 -9.163 10.465 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.229 -11.297 9.240 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.446 -11.548 10.788 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.194 -11.354 9.642 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.017 -11.202 8.102 1.00 1.00 H new ATOM 1225 N LYS X 74 75.966 -8.099 8.456 1.00 1.00 N ATOM 1226 CA LYS X 74 75.702 -7.407 7.191 1.00 1.00 C ATOM 1227 C LYS X 74 76.999 -7.050 6.477 1.00 1.00 C ATOM 1228 O LYS X 74 77.082 -7.147 5.253 1.00 1.00 O ATOM 1229 CB LYS X 74 74.872 -6.140 7.450 1.00 1.00 C ATOM 1230 CG LYS X 74 74.743 -5.327 6.158 1.00 1.00 C ATOM 1231 CD LYS X 74 73.820 -4.137 6.390 1.00 1.00 C ATOM 1232 CE LYS X 74 73.878 -3.225 5.170 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.024 -2.029 5.410 1.00 1.00 N ATOM 0 H LYS X 74 75.268 -7.931 9.180 1.00 1.00 H new ATOM 0 HA LYS X 74 75.138 -8.080 6.545 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.883 -6.412 7.819 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.346 -5.536 8.224 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.725 -4.981 5.835 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.348 -5.955 5.359 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.799 -4.479 6.558 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.124 -3.592 7.283 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.907 -2.919 4.978 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.534 -3.760 4.285 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.467 -1.194 4.977 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.086 -2.182 4.987 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.922 -1.875 6.433 1.00 1.00 H new ATOM 1247 N VAL X 75 78.006 -6.648 7.245 1.00 1.00 N ATOM 1248 CA VAL X 75 79.299 -6.296 6.678 1.00 1.00 C ATOM 1249 C VAL X 75 80.392 -7.232 7.221 1.00 1.00 C ATOM 1250 O VAL X 75 81.065 -6.907 8.201 1.00 1.00 O ATOM 1251 CB VAL X 75 79.635 -4.849 7.028 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.952 -3.917 6.028 1.00 1.00 C ATOM 1253 CG2 VAL X 75 79.150 -4.530 8.441 1.00 1.00 C ATOM 0 H VAL X 75 77.950 -6.559 8.260 1.00 1.00 H new ATOM 0 HA VAL X 75 79.252 -6.405 5.594 1.00 1.00 H new ATOM 0 HB VAL X 75 80.715 -4.707 6.983 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.189 -2.882 6.274 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.306 -4.141 5.022 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.873 -4.062 6.074 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.393 -3.496 8.684 1.00 1.00 H new ATOM 0 HG22 VAL X 75 78.071 -4.672 8.496 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.640 -5.195 9.153 1.00 1.00 H new ATOM 1263 N PRO X 76 80.578 -8.382 6.607 1.00 1.00 N ATOM 1264 CA PRO X 76 81.608 -9.377 7.042 1.00 1.00 C ATOM 1265 C PRO X 76 83.027 -8.814 6.989 1.00 1.00 C ATOM 1266 O PRO X 76 83.320 -7.914 6.203 1.00 1.00 O ATOM 1267 CB PRO X 76 81.459 -10.536 6.049 1.00 1.00 C ATOM 1268 CG PRO X 76 80.120 -10.360 5.416 1.00 1.00 C ATOM 1269 CD PRO X 76 79.824 -8.868 5.440 1.00 1.00 C ATOM 0 HA PRO X 76 81.455 -9.673 8.080 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.251 -10.514 5.301 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.528 -11.498 6.557 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.121 -10.739 4.394 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.357 -10.916 5.961 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.150 -8.380 4.521 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.757 -8.673 5.543 1.00 1.00 H new ATOM 1277 N VAL X 77 83.898 -9.349 7.840 1.00 1.00 N ATOM 1278 CA VAL X 77 85.284 -8.896 7.893 1.00 1.00 C ATOM 1279 C VAL X 77 86.005 -9.188 6.585 1.00 1.00 C ATOM 1280 O VAL X 77 86.913 -8.457 6.190 1.00 1.00 O ATOM 1281 CB VAL X 77 86.019 -9.586 9.047 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.159 -11.079 8.743 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.411 -8.967 9.214 1.00 1.00 C ATOM 0 H VAL X 77 83.670 -10.093 8.499 1.00 1.00 H new ATOM 0 HA VAL X 77 85.280 -7.818 8.054 1.00 1.00 H new ATOM 0 HB VAL X 77 85.451 -9.453 9.968 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.682 -11.570 9.564 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.169 -11.521 8.627 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.726 -11.211 7.821 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.932 -9.459 10.035 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.980 -9.097 8.293 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.313 -7.904 9.432 1.00 1.00 H new ATOM 1293 N THR X 78 85.602 -10.260 5.921 1.00 1.00 N ATOM 1294 CA THR X 78 86.227 -10.636 4.661 1.00 1.00 C ATOM 1295 C THR X 78 86.422 -9.406 3.777 1.00 1.00 C ATOM 1296 O THR X 78 87.241 -9.416 2.858 1.00 1.00 O ATOM 1297 CB THR X 78 85.351 -11.658 3.934 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.276 -10.986 3.291 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.792 -12.664 4.941 1.00 1.00 C ATOM 0 H THR X 78 84.853 -10.880 6.229 1.00 1.00 H new ATOM 0 HA THR X 78 87.201 -11.077 4.871 1.00 1.00 H new ATOM 0 HB THR X 78 85.950 -12.185 3.191 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.715 -11.639 2.823 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.168 -13.391 4.421 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.615 -13.180 5.435 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.193 -12.139 5.686 1.00 1.00 H new ATOM 1307 N ALA X 79 85.667 -8.349 4.064 1.00 1.00 N ATOM 1308 CA ALA X 79 85.764 -7.115 3.290 1.00 1.00 C ATOM 1309 C ALA X 79 87.160 -6.512 3.404 1.00 1.00 C ATOM 1310 O ALA X 79 87.682 -5.943 2.446 1.00 1.00 O ATOM 1311 CB ALA X 79 84.726 -6.103 3.785 1.00 1.00 C ATOM 0 H ALA X 79 84.985 -8.322 4.822 1.00 1.00 H new ATOM 0 HA ALA X 79 85.571 -7.353 2.244 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.806 -5.185 3.202 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.726 -6.521 3.669 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.907 -5.881 4.837 1.00 1.00 H new ATOM 1317 N PHE X 80 87.757 -6.635 4.581 1.00 1.00 N ATOM 1318 CA PHE X 80 89.092 -6.091 4.813 1.00 1.00 C ATOM 1319 C PHE X 80 90.116 -6.714 3.859 1.00 1.00 C ATOM 1320 O PHE X 80 90.956 -6.018 3.292 1.00 1.00 O ATOM 1321 CB PHE X 80 89.502 -6.349 6.265 1.00 1.00 C ATOM 1322 CG PHE X 80 90.891 -5.805 6.495 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.014 -6.520 6.064 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.051 -4.573 7.142 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.298 -6.005 6.280 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.335 -4.058 7.358 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.458 -4.775 6.927 1.00 1.00 C ATOM 0 H PHE X 80 87.343 -7.103 5.387 1.00 1.00 H new ATOM 0 HA PHE X 80 89.067 -5.018 4.624 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.795 -5.873 6.945 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.478 -7.418 6.477 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.890 -7.470 5.565 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.184 -4.021 7.474 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.165 -6.557 5.947 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.459 -3.108 7.857 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.448 -4.378 7.094 1.00 1.00 H new ATOM 1337 N SER X 81 90.055 -8.026 3.697 1.00 1.00 N ATOM 1338 CA SER X 81 90.995 -8.719 2.811 1.00 1.00 C ATOM 1339 C SER X 81 90.847 -8.229 1.364 1.00 1.00 C ATOM 1340 O SER X 81 91.821 -7.816 0.703 1.00 1.00 O ATOM 1341 CB SER X 81 90.717 -10.221 2.865 1.00 1.00 C ATOM 1342 OG SER X 81 89.374 -10.462 2.461 1.00 1.00 O ATOM 0 H SER X 81 89.376 -8.632 4.158 1.00 1.00 H new ATOM 0 HA SER X 81 92.011 -8.508 3.146 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.407 -10.755 2.212 1.00 1.00 H new ATOM 0 HB3 SER X 81 90.879 -10.597 3.875 1.00 1.00 H new ATOM 0 HG SER X 81 88.761 -9.999 3.070 1.00 1.00 H new ATOM 1348 N TYR X 82 89.613 -8.251 0.879 1.00 1.00 N ATOM 1349 CA TYR X 82 89.337 -7.803 -0.473 1.00 1.00 C ATOM 1350 C TYR X 82 89.740 -6.338 -0.617 1.00 1.00 C ATOM 1351 O TYR X 82 90.229 -5.906 -1.667 1.00 1.00 O ATOM 1352 CB TYR X 82 87.848 -7.982 -0.786 1.00 1.00 C ATOM 1353 CG TYR X 82 87.472 -9.451 -0.690 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.088 -10.389 -1.526 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.504 -9.865 0.233 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.738 -11.742 -1.440 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.154 -11.218 0.320 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.771 -12.156 -0.517 1.00 1.00 C ATOM 1359 OH TYR X 82 86.427 -13.489 -0.427 1.00 1.00 O ATOM 0 H TYR X 82 88.796 -8.572 1.398 1.00 1.00 H new ATOM 0 HA TYR X 82 89.915 -8.399 -1.180 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.248 -7.398 -0.088 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.630 -7.606 -1.786 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.834 -10.069 -2.238 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.028 -9.141 0.878 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.214 -12.465 -2.085 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.408 -11.538 1.033 1.00 1.00 H new ATOM 0 HH TYR X 82 85.833 -13.724 -1.170 1.00 1.00 H new ATOM 1369 N TRP X 83 89.562 -5.583 0.458 1.00 1.00 N ATOM 1370 CA TRP X 83 89.935 -4.182 0.450 1.00 1.00 C ATOM 1371 C TRP X 83 91.428 -4.047 0.188 1.00 1.00 C ATOM 1372 O TRP X 83 91.878 -3.078 -0.419 1.00 1.00 O ATOM 1373 CB TRP X 83 89.568 -3.527 1.772 1.00 1.00 C ATOM 1374 CG TRP X 83 90.226 -2.197 1.846 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.206 -1.268 0.863 1.00 1.00 C ATOM 1376 CD2 TRP X 83 90.984 -1.613 2.945 1.00 1.00 C ATOM 1377 NE1 TRP X 83 90.904 -0.152 1.288 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.403 -0.316 2.565 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.347 -2.080 4.223 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.153 0.490 3.421 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.102 -1.270 5.086 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.504 0.012 4.686 1.00 1.00 C ATOM 0 H TRP X 83 89.165 -5.916 1.337 1.00 1.00 H new ATOM 0 HA TRP X 83 89.389 -3.676 -0.346 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.486 -3.418 1.852 1.00 1.00 H new ATOM 0 HB3 TRP X 83 89.888 -4.153 2.605 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.724 -1.379 -0.097 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.034 0.690 0.727 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.043 -3.066 4.541 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.460 1.477 3.108 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.375 -1.637 6.064 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.085 0.630 5.355 1.00 1.00 H new ATOM 1393 N ASN X 84 92.200 -5.033 0.641 1.00 1.00 N ATOM 1394 CA ASN X 84 93.639 -4.997 0.423 1.00 1.00 C ATOM 1395 C ASN X 84 93.909 -4.891 -1.067 1.00 1.00 C ATOM 1396 O ASN X 84 94.774 -4.124 -1.500 1.00 1.00 O ATOM 1397 CB ASN X 84 94.292 -6.272 0.942 1.00 1.00 C ATOM 1398 CG ASN X 84 95.737 -5.995 1.345 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.359 -5.060 0.843 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.309 -6.763 2.233 1.00 1.00 N ATOM 0 H ASN X 84 91.860 -5.849 1.150 1.00 1.00 H new ATOM 0 HA ASN X 84 94.052 -4.140 0.955 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.734 -6.653 1.798 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.262 -7.044 0.173 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.274 -6.588 2.512 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.790 -7.537 2.647 1.00 1.00 H new ATOM 1407 N LEU X 85 93.155 -5.647 -1.864 1.00 1.00 N ATOM 1408 CA LEU X 85 93.352 -5.585 -3.308 1.00 1.00 C ATOM 1409 C LEU X 85 93.078 -4.178 -3.824 1.00 1.00 C ATOM 1410 O LEU X 85 93.801 -3.679 -4.685 1.00 1.00 O ATOM 1411 CB LEU X 85 92.450 -6.580 -4.047 1.00 1.00 C ATOM 1412 CG LEU X 85 93.103 -7.967 -4.076 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.356 -7.960 -4.965 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.497 -8.373 -2.655 1.00 1.00 C ATOM 0 H LEU X 85 92.427 -6.288 -1.548 1.00 1.00 H new ATOM 0 HA LEU X 85 94.391 -5.852 -3.502 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.479 -6.637 -3.554 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.271 -6.233 -5.065 1.00 1.00 H new ATOM 0 HG LEU X 85 92.387 -8.679 -4.485 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.803 -8.954 -4.971 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.079 -7.680 -5.982 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.076 -7.241 -4.574 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.961 -9.359 -2.674 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.203 -7.647 -2.252 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.608 -8.403 -2.025 1.00 1.00 H new ATOM 1426 N ILE X 86 92.045 -3.528 -3.293 1.00 1.00 N ATOM 1427 CA ILE X 86 91.716 -2.176 -3.728 1.00 1.00 C ATOM 1428 C ILE X 86 92.860 -1.211 -3.445 1.00 1.00 C ATOM 1429 O ILE X 86 93.194 -0.375 -4.286 1.00 1.00 O ATOM 1430 CB ILE X 86 90.476 -1.706 -3.010 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.273 -2.504 -3.502 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.262 -0.217 -3.272 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.084 -2.241 -2.587 1.00 1.00 C ATOM 0 H ILE X 86 91.431 -3.909 -2.573 1.00 1.00 H new ATOM 0 HA ILE X 86 91.543 -2.196 -4.804 1.00 1.00 H new ATOM 0 HB ILE X 86 90.594 -1.861 -1.938 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.028 -2.220 -4.526 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.509 -3.568 -3.514 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.365 0.119 -2.752 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.123 0.344 -2.909 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.145 -0.049 -4.343 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.223 -2.810 -2.937 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.332 -2.546 -1.571 1.00 1.00 H new ATOM 0 HD13 ILE X 86 87.845 -1.178 -2.598 1.00 1.00 H new ATOM 1445 N LYS X 87 93.462 -1.325 -2.266 1.00 1.00 N ATOM 1446 CA LYS X 87 94.571 -0.445 -1.913 1.00 1.00 C ATOM 1447 C LYS X 87 95.656 -0.507 -2.969 1.00 1.00 C ATOM 1448 O LYS X 87 96.273 0.504 -3.302 1.00 1.00 O ATOM 1449 CB LYS X 87 95.167 -0.853 -0.562 1.00 1.00 C ATOM 1450 CG LYS X 87 94.330 -0.261 0.571 1.00 1.00 C ATOM 1451 CD LYS X 87 95.048 -0.459 1.913 1.00 1.00 C ATOM 1452 CE LYS X 87 94.946 -1.920 2.359 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.387 -2.033 3.777 1.00 1.00 N ATOM 0 H LYS X 87 93.207 -2.005 -1.550 1.00 1.00 H new ATOM 0 HA LYS X 87 94.185 0.573 -1.849 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.193 -1.939 -0.478 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.197 -0.503 -0.487 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.161 0.801 0.393 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.351 -0.739 0.599 1.00 1.00 H new ATOM 0 HD2 LYS X 87 96.095 -0.173 1.819 1.00 1.00 H new ATOM 0 HD3 LYS X 87 94.607 0.191 2.669 1.00 1.00 H new ATOM 0 HE2 LYS X 87 93.920 -2.273 2.256 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.566 -2.551 1.722 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 95.756 -2.990 3.951 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.134 -1.335 3.965 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 94.579 -1.854 4.407 1.00 1.00 H new ATOM 1467 N GLU X 88 95.878 -1.693 -3.495 1.00 1.00 N ATOM 1468 CA GLU X 88 96.884 -1.882 -4.523 1.00 1.00 C ATOM 1469 C GLU X 88 96.476 -1.174 -5.807 1.00 1.00 C ATOM 1470 O GLU X 88 97.324 -0.642 -6.525 1.00 1.00 O ATOM 1471 CB GLU X 88 97.092 -3.375 -4.791 1.00 1.00 C ATOM 1472 CG GLU X 88 97.921 -3.991 -3.663 1.00 1.00 C ATOM 1473 CD GLU X 88 98.056 -5.493 -3.884 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.469 -5.986 -4.834 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.733 -6.132 -3.096 1.00 1.00 O ATOM 0 H GLU X 88 95.377 -2.541 -3.229 1.00 1.00 H new ATOM 0 HA GLU X 88 97.821 -1.451 -4.171 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.128 -3.879 -4.864 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.598 -3.516 -5.746 1.00 1.00 H new ATOM 0 HG2 GLU X 88 98.908 -3.529 -3.630 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.445 -3.797 -2.702 1.00 1.00 H new ATOM 1482 N LEU X 89 95.176 -1.178 -6.107 1.00 1.00 N ATOM 1483 CA LEU X 89 94.706 -0.533 -7.324 1.00 1.00 C ATOM 1484 C LEU X 89 94.947 0.966 -7.299 1.00 1.00 C ATOM 1485 O LEU X 89 95.424 1.552 -8.270 1.00 1.00 O ATOM 1486 CB LEU X 89 93.209 -0.777 -7.512 1.00 1.00 C ATOM 1487 CG LEU X 89 92.985 -2.076 -8.280 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.259 -3.272 -7.375 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.537 -2.149 -8.773 1.00 1.00 C ATOM 0 H LEU X 89 94.449 -1.610 -5.537 1.00 1.00 H new ATOM 0 HA LEU X 89 95.269 -0.968 -8.150 1.00 1.00 H new ATOM 0 HB2 LEU X 89 92.716 -0.829 -6.541 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.761 0.057 -8.053 1.00 1.00 H new ATOM 0 HG LEU X 89 93.665 -2.097 -9.132 1.00 1.00 H new ATOM 0 HD11 LEU X 89 93.096 -4.195 -7.932 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.291 -3.236 -7.026 1.00 1.00 H new ATOM 0 HD13 LEU X 89 92.586 -3.242 -6.518 1.00 1.00 H new ATOM 0 HD21 LEU X 89 91.385 -3.079 -9.320 1.00 1.00 H new ATOM 0 HD22 LEU X 89 90.860 -2.116 -7.919 1.00 1.00 H new ATOM 0 HD23 LEU X 89 91.334 -1.304 -9.431 1.00 1.00 H new ATOM 1501 N ILE X 90 94.594 1.578 -6.190 1.00 1.00 N ATOM 1502 CA ILE X 90 94.751 3.021 -6.041 1.00 1.00 C ATOM 1503 C ILE X 90 96.223 3.370 -5.840 1.00 1.00 C ATOM 1504 O ILE X 90 96.659 4.479 -6.151 1.00 1.00 O ATOM 1505 CB ILE X 90 93.919 3.523 -4.853 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.503 2.954 -4.951 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.829 5.055 -4.901 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.724 3.267 -3.675 1.00 1.00 C ATOM 0 H ILE X 90 94.197 1.107 -5.377 1.00 1.00 H new ATOM 0 HA ILE X 90 94.396 3.510 -6.948 1.00 1.00 H new ATOM 0 HB ILE X 90 94.392 3.204 -3.924 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.990 3.380 -5.813 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.545 1.876 -5.106 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.238 5.411 -4.057 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.831 5.480 -4.847 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.354 5.363 -5.832 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.717 2.858 -3.754 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.231 2.820 -2.820 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.667 4.347 -3.539 1.00 1.00 H new ATOM 1520 N ASP X 91 96.979 2.413 -5.317 1.00 1.00 N ATOM 1521 CA ASP X 91 98.407 2.627 -5.076 1.00 1.00 C ATOM 1522 C ASP X 91 99.248 2.040 -6.205 1.00 1.00 C ATOM 1523 O ASP X 91 100.464 2.220 -6.241 1.00 1.00 O ATOM 1524 CB ASP X 91 98.825 1.979 -3.754 1.00 1.00 C ATOM 1525 CG ASP X 91 98.141 2.682 -2.589 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.498 3.691 -2.830 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.263 2.201 -1.474 1.00 1.00 O ATOM 0 H ASP X 91 96.636 1.490 -5.053 1.00 1.00 H new ATOM 0 HA ASP X 91 98.577 3.703 -5.030 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.559 0.922 -3.758 1.00 1.00 H new ATOM 0 HB3 ASP X 91 99.907 2.035 -3.638 1.00 1.00 H new