USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 GLN : amide:sc= -0.0139 X(o=-0.014,f=-0.19) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 158:sc= -1.17 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.0788 X(o=0.079,f=-0.024) USER MOD Single : A 28 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.7!) USER MOD Single : A 31 ASN : amide:sc= -0.88 K(o=-0.88,f=-2.9!) USER MOD Single : A 47 GLN : amide:sc= -0.134 K(o=-0.13,f=-2.3!) USER MOD Single : A 48 TYR OH : rot -7:sc= 0.0799 USER MOD Single : A 50 MET CE :methyl -109:sc= -5.25! (180deg=-9.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.727 K(o=0.73,f=-2.3!) USER MOD Single : A 65 TYR OH : rot 180:sc= -3.21! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 150:sc= -1.79! USER MOD Single : A 77 MET CE :methyl 143:sc= -3.86! (180deg=-4.87!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.27! C(o=-1.3!,f=-1.3!) USER MOD Single : A 87 TYR OH : rot 116:sc= -0.263! USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 94 N GLN A 7 -10.025 5.652 5.946 1.00 0.00 N ATOM 95 CA GLN A 7 -10.172 5.520 4.507 1.00 0.00 C ATOM 96 C GLN A 7 -9.509 6.701 3.795 1.00 0.00 C ATOM 97 O GLN A 7 -10.033 7.814 3.812 1.00 0.00 O ATOM 98 CB GLN A 7 -11.646 5.401 4.114 1.00 0.00 C ATOM 99 CG GLN A 7 -11.813 5.430 2.594 1.00 0.00 C ATOM 100 CD GLN A 7 -13.289 5.542 2.206 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.029 6.368 2.714 1.00 0.00 O ATOM 102 NE2 GLN A 7 -13.673 4.667 1.281 1.00 0.00 N ATOM 0 HA GLN A 7 -9.671 4.604 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.058 4.473 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.212 6.218 4.561 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.260 6.273 2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -11.387 4.525 2.161 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.001 4.002 0.898 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.639 4.661 0.955 1.00 0.00 H new ATOM 111 N PHE A 8 -8.366 6.418 3.187 1.00 0.00 N ATOM 112 CA PHE A 8 -7.626 7.444 2.471 1.00 0.00 C ATOM 113 C PHE A 8 -7.861 7.337 0.963 1.00 0.00 C ATOM 114 O PHE A 8 -7.895 6.237 0.412 1.00 0.00 O ATOM 115 CB PHE A 8 -6.142 7.210 2.762 1.00 0.00 C ATOM 116 CG PHE A 8 -5.595 5.900 2.191 1.00 0.00 C ATOM 117 CD1 PHE A 8 -5.464 5.746 0.846 1.00 0.00 C ATOM 118 CD2 PHE A 8 -5.241 4.889 3.028 1.00 0.00 C ATOM 119 CE1 PHE A 8 -4.956 4.531 0.316 1.00 0.00 C ATOM 120 CE2 PHE A 8 -4.733 3.673 2.499 1.00 0.00 C ATOM 121 CZ PHE A 8 -4.602 3.519 1.154 1.00 0.00 C ATOM 0 H PHE A 8 -7.934 5.494 3.175 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.953 8.433 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.567 8.041 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.988 7.216 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.747 6.549 0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.346 5.011 4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.851 4.410 -0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -4.451 2.871 3.165 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.217 2.594 0.751 1.00 0.00 H new ATOM 131 N ILE A 9 -8.018 8.494 0.337 1.00 0.00 N ATOM 132 CA ILE A 9 -8.249 8.545 -1.097 1.00 0.00 C ATOM 133 C ILE A 9 -6.903 8.557 -1.825 1.00 0.00 C ATOM 134 O ILE A 9 -6.174 9.547 -1.774 1.00 0.00 O ATOM 135 CB ILE A 9 -9.151 9.728 -1.452 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.589 9.478 -0.993 1.00 0.00 C ATOM 137 CG2 ILE A 9 -9.074 10.046 -2.947 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.386 8.732 -2.066 1.00 0.00 C ATOM 0 H ILE A 9 -7.990 9.404 0.797 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.784 7.655 -1.429 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.790 10.606 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.584 8.898 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.074 10.428 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.724 10.891 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.047 10.297 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.395 9.177 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.404 8.567 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.409 9.325 -2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.912 7.771 -2.269 1.00 0.00 H new ATOM 150 N PHE A 10 -6.615 7.446 -2.487 1.00 0.00 N ATOM 151 CA PHE A 10 -5.370 7.317 -3.225 1.00 0.00 C ATOM 152 C PHE A 10 -5.464 6.200 -4.266 1.00 0.00 C ATOM 153 O PHE A 10 -5.996 5.127 -3.985 1.00 0.00 O ATOM 154 CB PHE A 10 -4.282 6.961 -2.209 1.00 0.00 C ATOM 155 CG PHE A 10 -3.018 6.368 -2.834 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.161 7.168 -3.524 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.750 5.042 -2.698 1.00 0.00 C ATOM 158 CE1 PHE A 10 -0.987 6.618 -4.104 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.576 4.492 -3.277 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.719 5.291 -3.968 1.00 0.00 C ATOM 0 H PHE A 10 -7.222 6.627 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.149 8.247 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.013 7.858 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.689 6.249 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.373 8.222 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.430 4.407 -2.150 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.307 7.253 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.363 3.439 -3.169 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.174 4.872 -4.408 1.00 0.00 H new ATOM 170 N LYS A 11 -4.938 6.489 -5.447 1.00 0.00 N ATOM 171 CA LYS A 11 -4.955 5.523 -6.532 1.00 0.00 C ATOM 172 C LYS A 11 -3.552 4.941 -6.714 1.00 0.00 C ATOM 173 O LYS A 11 -2.576 5.684 -6.811 1.00 0.00 O ATOM 174 CB LYS A 11 -5.529 6.153 -7.802 1.00 0.00 C ATOM 175 CG LYS A 11 -6.983 6.583 -7.592 1.00 0.00 C ATOM 176 CD LYS A 11 -7.936 5.400 -7.771 1.00 0.00 C ATOM 177 CE LYS A 11 -9.376 5.803 -7.446 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.318 5.168 -8.394 1.00 0.00 N ATOM 0 H LYS A 11 -4.497 7.380 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.616 4.691 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.928 7.017 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.472 5.439 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.101 7.002 -6.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.239 7.371 -8.300 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.879 5.034 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.629 4.579 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.622 5.506 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.477 6.887 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.291 5.452 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.093 5.472 -9.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.234 4.134 -8.327 1.00 0.00 H new ATOM 192 N VAL A 12 -3.495 3.618 -6.755 1.00 0.00 N ATOM 193 CA VAL A 12 -2.227 2.929 -6.924 1.00 0.00 C ATOM 194 C VAL A 12 -2.318 1.990 -8.129 1.00 0.00 C ATOM 195 O VAL A 12 -3.321 1.303 -8.310 1.00 0.00 O ATOM 196 CB VAL A 12 -1.848 2.206 -5.630 1.00 0.00 C ATOM 197 CG1 VAL A 12 -2.381 0.771 -5.627 1.00 0.00 C ATOM 198 CG2 VAL A 12 -0.334 2.228 -5.412 1.00 0.00 C ATOM 0 H VAL A 12 -4.306 3.005 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.429 3.643 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.314 2.739 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.098 0.280 -4.696 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.467 0.786 -5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.958 0.224 -6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.092 1.707 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.161 1.732 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.009 3.261 -5.348 1.00 0.00 H new ATOM 208 N THR A 13 -1.256 1.992 -8.921 1.00 0.00 N ATOM 209 CA THR A 13 -1.204 1.149 -10.104 1.00 0.00 C ATOM 210 C THR A 13 -1.387 -0.320 -9.720 1.00 0.00 C ATOM 211 O THR A 13 -1.377 -0.663 -8.538 1.00 0.00 O ATOM 212 CB THR A 13 0.116 1.429 -10.825 1.00 0.00 C ATOM 213 OG1 THR A 13 1.077 1.501 -9.776 1.00 0.00 O ATOM 214 CG2 THR A 13 0.153 2.820 -11.461 1.00 0.00 C ATOM 0 H THR A 13 -0.425 2.563 -8.767 1.00 0.00 H new ATOM 0 HA THR A 13 -2.020 1.377 -10.789 1.00 0.00 H new ATOM 0 HB THR A 13 0.275 0.674 -11.595 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.971 1.326 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.111 2.967 -11.959 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.652 2.908 -12.190 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.027 3.577 -10.687 1.00 0.00 H new ATOM 222 N ASP A 14 -1.551 -1.149 -10.740 1.00 0.00 N ATOM 223 CA ASP A 14 -1.736 -2.574 -10.524 1.00 0.00 C ATOM 224 C ASP A 14 -0.398 -3.205 -10.132 1.00 0.00 C ATOM 225 O ASP A 14 -0.364 -4.191 -9.398 1.00 0.00 O ATOM 226 CB ASP A 14 -2.229 -3.265 -11.798 1.00 0.00 C ATOM 227 CG ASP A 14 -3.709 -3.049 -12.119 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.538 -3.467 -11.282 1.00 0.00 O ATOM 229 OD2 ASP A 14 -3.978 -2.472 -13.194 1.00 0.00 O ATOM 0 H ASP A 14 -1.560 -0.861 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.476 -2.701 -9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.634 -2.909 -12.640 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.045 -4.335 -11.707 1.00 0.00 H new ATOM 234 N LYS A 15 0.671 -2.609 -10.639 1.00 0.00 N ATOM 235 CA LYS A 15 2.008 -3.100 -10.350 1.00 0.00 C ATOM 236 C LYS A 15 2.301 -2.924 -8.859 1.00 0.00 C ATOM 237 O LYS A 15 2.950 -3.770 -8.246 1.00 0.00 O ATOM 238 CB LYS A 15 3.035 -2.425 -11.262 1.00 0.00 C ATOM 239 CG LYS A 15 4.018 -3.449 -11.834 1.00 0.00 C ATOM 240 CD LYS A 15 5.152 -2.756 -12.592 1.00 0.00 C ATOM 241 CE LYS A 15 5.898 -3.747 -13.487 1.00 0.00 C ATOM 242 NZ LYS A 15 5.586 -3.495 -14.912 1.00 0.00 N ATOM 0 H LYS A 15 0.639 -1.791 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 15 2.076 -4.166 -10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.522 -1.913 -12.077 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.580 -1.666 -10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.431 -4.052 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.491 -4.130 -12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.747 -1.946 -13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.847 -2.306 -11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.972 -3.658 -13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.619 -4.767 -13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.101 -4.176 -15.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.563 -3.603 -15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.875 -2.528 -15.165 1.00 0.00 H new ATOM 256 N ALA A 16 1.807 -1.820 -8.318 1.00 0.00 N ATOM 257 CA ALA A 16 2.007 -1.522 -6.910 1.00 0.00 C ATOM 258 C ALA A 16 1.325 -2.598 -6.063 1.00 0.00 C ATOM 259 O ALA A 16 1.962 -3.226 -5.219 1.00 0.00 O ATOM 260 CB ALA A 16 1.480 -0.119 -6.604 1.00 0.00 C ATOM 0 H ALA A 16 1.269 -1.121 -8.830 1.00 0.00 H new ATOM 0 HA ALA A 16 3.069 -1.532 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.630 0.104 -5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.017 0.611 -7.209 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.416 -0.071 -6.837 1.00 0.00 H new ATOM 266 N VAL A 17 0.037 -2.779 -6.319 1.00 0.00 N ATOM 267 CA VAL A 17 -0.739 -3.768 -5.591 1.00 0.00 C ATOM 268 C VAL A 17 -0.097 -5.146 -5.770 1.00 0.00 C ATOM 269 O VAL A 17 0.070 -5.887 -4.803 1.00 0.00 O ATOM 270 CB VAL A 17 -2.199 -3.725 -6.045 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.778 -5.136 -6.166 1.00 0.00 C ATOM 272 CG2 VAL A 17 -3.042 -2.867 -5.099 1.00 0.00 C ATOM 0 H VAL A 17 -0.488 -2.257 -7.021 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.738 -3.545 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.229 -3.265 -7.033 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.817 -5.076 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.202 -5.704 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.728 -5.634 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.076 -2.853 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.001 -3.286 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.651 -1.850 -5.084 1.00 0.00 H new ATOM 282 N GLU A 18 0.245 -5.446 -7.014 1.00 0.00 N ATOM 283 CA GLU A 18 0.864 -6.721 -7.333 1.00 0.00 C ATOM 284 C GLU A 18 2.224 -6.838 -6.643 1.00 0.00 C ATOM 285 O GLU A 18 2.651 -7.935 -6.285 1.00 0.00 O ATOM 286 CB GLU A 18 0.999 -6.902 -8.846 1.00 0.00 C ATOM 287 CG GLU A 18 1.031 -8.386 -9.220 1.00 0.00 C ATOM 288 CD GLU A 18 0.132 -8.667 -10.426 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.078 -8.377 -10.311 1.00 0.00 O ATOM 290 OE2 GLU A 18 0.676 -9.165 -11.435 1.00 0.00 O ATOM 0 H GLU A 18 0.105 -4.828 -7.813 1.00 0.00 H new ATOM 0 HA GLU A 18 0.220 -7.518 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.165 -6.414 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.910 -6.416 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.054 -8.686 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.704 -8.986 -8.371 1.00 0.00 H new ATOM 297 N GLU A 19 2.868 -5.692 -6.477 1.00 0.00 N ATOM 298 CA GLU A 19 4.171 -5.651 -5.836 1.00 0.00 C ATOM 299 C GLU A 19 4.058 -6.087 -4.374 1.00 0.00 C ATOM 300 O GLU A 19 5.019 -6.591 -3.796 1.00 0.00 O ATOM 301 CB GLU A 19 4.794 -4.258 -5.947 1.00 0.00 C ATOM 302 CG GLU A 19 6.072 -4.161 -5.112 1.00 0.00 C ATOM 303 CD GLU A 19 7.220 -4.925 -5.776 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.995 -6.108 -6.111 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.296 -4.309 -5.933 1.00 0.00 O ATOM 0 H GLU A 19 2.511 -4.784 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 19 4.830 -6.349 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.020 -4.039 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.078 -3.508 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.351 -3.115 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.891 -4.563 -4.115 1.00 0.00 H new ATOM 312 N ILE A 20 2.874 -5.876 -3.817 1.00 0.00 N ATOM 313 CA ILE A 20 2.622 -6.240 -2.433 1.00 0.00 C ATOM 314 C ILE A 20 2.485 -7.760 -2.328 1.00 0.00 C ATOM 315 O ILE A 20 2.873 -8.354 -1.323 1.00 0.00 O ATOM 316 CB ILE A 20 1.415 -5.474 -1.889 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.364 -4.055 -2.458 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.407 -5.479 -0.359 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.753 -3.414 -2.457 1.00 0.00 C ATOM 0 H ILE A 20 2.079 -5.457 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 20 3.463 -5.951 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 20 0.510 -5.985 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.972 -4.081 -3.475 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.678 -3.447 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.539 -4.928 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.360 -6.507 0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.317 -5.006 0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.689 -2.406 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.132 -3.368 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.430 -4.011 -3.068 1.00 0.00 H new ATOM 331 N LYS A 21 1.931 -8.347 -3.379 1.00 0.00 N ATOM 332 CA LYS A 21 1.737 -9.787 -3.417 1.00 0.00 C ATOM 333 C LYS A 21 3.088 -10.473 -3.626 1.00 0.00 C ATOM 334 O LYS A 21 3.302 -11.588 -3.152 1.00 0.00 O ATOM 335 CB LYS A 21 0.689 -10.159 -4.467 1.00 0.00 C ATOM 336 CG LYS A 21 -0.692 -9.631 -4.075 1.00 0.00 C ATOM 337 CD LYS A 21 -1.566 -9.409 -5.311 1.00 0.00 C ATOM 338 CE LYS A 21 -3.007 -9.855 -5.051 1.00 0.00 C ATOM 339 NZ LYS A 21 -3.320 -11.075 -5.827 1.00 0.00 N ATOM 0 H LYS A 21 1.610 -7.851 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 21 1.341 -10.144 -2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.978 -9.749 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.650 -11.243 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.179 -10.339 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.585 -8.694 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.552 -8.354 -5.586 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.156 -9.964 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.148 -10.047 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.696 -9.056 -5.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.301 -11.364 -5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.205 -10.880 -6.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.674 -11.840 -5.546 1.00 0.00 H new ATOM 353 N LYS A 22 3.965 -9.779 -4.336 1.00 0.00 N ATOM 354 CA LYS A 22 5.290 -10.308 -4.614 1.00 0.00 C ATOM 355 C LYS A 22 6.104 -10.336 -3.319 1.00 0.00 C ATOM 356 O LYS A 22 6.683 -11.363 -2.968 1.00 0.00 O ATOM 357 CB LYS A 22 5.956 -9.518 -5.742 1.00 0.00 C ATOM 358 CG LYS A 22 6.609 -10.458 -6.758 1.00 0.00 C ATOM 359 CD LYS A 22 7.862 -9.825 -7.364 1.00 0.00 C ATOM 360 CE LYS A 22 9.111 -10.638 -7.016 1.00 0.00 C ATOM 361 NZ LYS A 22 9.989 -10.771 -8.200 1.00 0.00 N ATOM 0 H LYS A 22 3.784 -8.855 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 22 5.223 -11.335 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.214 -8.895 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.708 -8.847 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.871 -11.398 -6.273 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.898 -10.695 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.755 -9.762 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.973 -8.805 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.654 -10.152 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.821 -11.626 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.832 -11.325 -7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.473 -11.255 -8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.280 -9.827 -8.524 1.00 0.00 H new ATOM 375 N VAL A 23 6.123 -9.197 -2.644 1.00 0.00 N ATOM 376 CA VAL A 23 6.857 -9.078 -1.395 1.00 0.00 C ATOM 377 C VAL A 23 6.290 -10.071 -0.379 1.00 0.00 C ATOM 378 O VAL A 23 7.039 -10.679 0.385 1.00 0.00 O ATOM 379 CB VAL A 23 6.820 -7.631 -0.902 1.00 0.00 C ATOM 380 CG1 VAL A 23 6.685 -7.574 0.621 1.00 0.00 C ATOM 381 CG2 VAL A 23 8.055 -6.859 -1.371 1.00 0.00 C ATOM 0 H VAL A 23 5.642 -8.347 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 23 7.907 -9.329 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 23 5.942 -7.153 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.661 -6.534 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.763 -8.070 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.535 -8.078 1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.003 -5.833 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.953 -7.338 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.090 -6.856 -2.460 1.00 0.00 H new ATOM 391 N ALA A 24 4.972 -10.205 -0.402 1.00 0.00 N ATOM 392 CA ALA A 24 4.296 -11.114 0.508 1.00 0.00 C ATOM 393 C ALA A 24 4.503 -12.553 0.032 1.00 0.00 C ATOM 394 O ALA A 24 4.546 -13.478 0.841 1.00 0.00 O ATOM 395 CB ALA A 24 2.816 -10.737 0.599 1.00 0.00 C ATOM 0 H ALA A 24 4.354 -9.699 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 24 4.715 -11.036 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.308 -11.419 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.723 -9.716 0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.361 -10.807 -0.389 1.00 0.00 H new ATOM 401 N GLN A 25 4.626 -12.697 -1.279 1.00 0.00 N ATOM 402 CA GLN A 25 4.828 -14.008 -1.873 1.00 0.00 C ATOM 403 C GLN A 25 6.048 -14.689 -1.251 1.00 0.00 C ATOM 404 O GLN A 25 6.043 -15.900 -1.031 1.00 0.00 O ATOM 405 CB GLN A 25 4.972 -13.905 -3.393 1.00 0.00 C ATOM 406 CG GLN A 25 3.809 -14.603 -4.101 1.00 0.00 C ATOM 407 CD GLN A 25 4.249 -15.949 -4.682 1.00 0.00 C ATOM 408 OE1 GLN A 25 4.312 -16.958 -3.999 1.00 0.00 O ATOM 409 NE2 GLN A 25 4.549 -15.907 -5.977 1.00 0.00 N ATOM 0 H GLN A 25 4.590 -11.927 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 25 3.950 -14.619 -1.665 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.006 -12.856 -3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.915 -14.355 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.990 -14.756 -3.398 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.429 -13.965 -4.899 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.474 -15.028 -6.490 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.854 -16.754 -6.458 1.00 0.00 H new ATOM 418 N GLU A 26 7.066 -13.883 -0.986 1.00 0.00 N ATOM 419 CA GLU A 26 8.291 -14.394 -0.394 1.00 0.00 C ATOM 420 C GLU A 26 8.117 -14.572 1.115 1.00 0.00 C ATOM 421 O GLU A 26 8.956 -15.186 1.772 1.00 0.00 O ATOM 422 CB GLU A 26 9.474 -13.475 -0.705 1.00 0.00 C ATOM 423 CG GLU A 26 10.777 -14.272 -0.801 1.00 0.00 C ATOM 424 CD GLU A 26 11.968 -13.434 -0.332 1.00 0.00 C ATOM 425 OE1 GLU A 26 12.098 -13.273 0.901 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.721 -12.973 -1.216 1.00 0.00 O ATOM 0 H GLU A 26 7.068 -12.880 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 26 8.505 -15.369 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.295 -12.950 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.564 -12.716 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.701 -15.174 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.936 -14.593 -1.830 1.00 0.00 H new ATOM 433 N ASN A 27 7.021 -14.026 1.621 1.00 0.00 N ATOM 434 CA ASN A 27 6.726 -14.117 3.041 1.00 0.00 C ATOM 435 C ASN A 27 5.471 -14.968 3.243 1.00 0.00 C ATOM 436 O ASN A 27 4.951 -15.060 4.354 1.00 0.00 O ATOM 437 CB ASN A 27 6.460 -12.734 3.639 1.00 0.00 C ATOM 438 CG ASN A 27 7.772 -12.009 3.948 1.00 0.00 C ATOM 439 OD1 ASN A 27 8.580 -12.449 4.749 1.00 0.00 O ATOM 440 ND2 ASN A 27 7.937 -10.876 3.271 1.00 0.00 N ATOM 0 H ASN A 27 6.326 -13.519 1.073 1.00 0.00 H new ATOM 0 HA ASN A 27 7.588 -14.564 3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.868 -12.141 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.873 -12.835 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.780 -10.318 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.221 -10.565 2.615 1.00 0.00 H new ATOM 447 N ASN A 28 5.020 -15.569 2.152 1.00 0.00 N ATOM 448 CA ASN A 28 3.836 -16.410 2.195 1.00 0.00 C ATOM 449 C ASN A 28 2.749 -15.711 3.013 1.00 0.00 C ATOM 450 O ASN A 28 2.046 -16.351 3.794 1.00 0.00 O ATOM 451 CB ASN A 28 4.138 -17.754 2.861 1.00 0.00 C ATOM 452 CG ASN A 28 3.428 -18.898 2.135 1.00 0.00 C ATOM 453 OD1 ASN A 28 2.992 -18.773 1.003 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.338 -20.017 2.848 1.00 0.00 N ATOM 0 H ASN A 28 5.454 -15.490 1.232 1.00 0.00 H new ATOM 0 HA ASN A 28 3.507 -16.582 1.170 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.214 -17.930 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.820 -17.727 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.882 -20.839 2.452 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.725 -20.053 3.791 1.00 0.00 H new ATOM 461 N ILE A 29 2.645 -14.406 2.807 1.00 0.00 N ATOM 462 CA ILE A 29 1.656 -13.613 3.517 1.00 0.00 C ATOM 463 C ILE A 29 0.449 -13.378 2.606 1.00 0.00 C ATOM 464 O ILE A 29 0.599 -12.909 1.479 1.00 0.00 O ATOM 465 CB ILE A 29 2.285 -12.323 4.049 1.00 0.00 C ATOM 466 CG1 ILE A 29 3.070 -12.587 5.335 1.00 0.00 C ATOM 467 CG2 ILE A 29 1.226 -11.234 4.237 1.00 0.00 C ATOM 468 CD1 ILE A 29 3.423 -11.276 6.041 1.00 0.00 C ATOM 0 H ILE A 29 3.229 -13.878 2.159 1.00 0.00 H new ATOM 0 HA ILE A 29 1.295 -14.150 4.394 1.00 0.00 H new ATOM 0 HB ILE A 29 2.995 -11.957 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.481 -13.216 6.002 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.982 -13.136 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.699 -10.328 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.749 -11.021 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.475 -11.576 4.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.981 -11.492 6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.032 -10.660 5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.508 -10.741 6.294 1.00 0.00 H new ATOM 480 N GLU A 30 -0.721 -13.714 3.129 1.00 0.00 N ATOM 481 CA GLU A 30 -1.953 -13.546 2.377 1.00 0.00 C ATOM 482 C GLU A 30 -2.664 -12.261 2.806 1.00 0.00 C ATOM 483 O GLU A 30 -3.792 -12.003 2.387 1.00 0.00 O ATOM 484 CB GLU A 30 -2.868 -14.761 2.544 1.00 0.00 C ATOM 485 CG GLU A 30 -3.091 -15.467 1.206 1.00 0.00 C ATOM 486 CD GLU A 30 -3.614 -16.889 1.417 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.774 -17.764 1.719 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.843 -17.069 1.272 1.00 0.00 O ATOM 0 H GLU A 30 -0.842 -14.102 4.065 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.702 -13.465 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.427 -15.457 3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.826 -14.445 2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.802 -14.900 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.156 -15.499 0.647 1.00 0.00 H new ATOM 495 N ASN A 31 -1.976 -11.489 3.634 1.00 0.00 N ATOM 496 CA ASN A 31 -2.528 -10.237 4.123 1.00 0.00 C ATOM 497 C ASN A 31 -1.387 -9.262 4.418 1.00 0.00 C ATOM 498 O ASN A 31 -1.155 -8.902 5.571 1.00 0.00 O ATOM 499 CB ASN A 31 -3.314 -10.451 5.418 1.00 0.00 C ATOM 500 CG ASN A 31 -4.438 -9.421 5.554 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.301 -8.263 5.196 1.00 0.00 O ATOM 502 ND2 ASN A 31 -5.555 -9.907 6.089 1.00 0.00 N ATOM 0 H ASN A 31 -1.041 -11.706 3.979 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.195 -9.840 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.734 -11.457 5.431 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.641 -10.376 6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.364 -9.299 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.603 -10.887 6.367 1.00 0.00 H new ATOM 509 N PRO A 32 -0.685 -8.851 3.328 1.00 0.00 N ATOM 510 CA PRO A 32 0.426 -7.925 3.458 1.00 0.00 C ATOM 511 C PRO A 32 -0.073 -6.502 3.716 1.00 0.00 C ATOM 512 O PRO A 32 -0.804 -5.940 2.901 1.00 0.00 O ATOM 513 CB PRO A 32 1.202 -8.056 2.158 1.00 0.00 C ATOM 514 CG PRO A 32 0.247 -8.698 1.165 1.00 0.00 C ATOM 515 CD PRO A 32 -0.931 -9.257 1.947 1.00 0.00 C ATOM 0 HA PRO A 32 1.065 -8.152 4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.537 -7.081 1.803 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.093 -8.669 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.093 -7.965 0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.749 -9.491 0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.876 -8.857 1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.987 -10.342 1.857 1.00 0.00 H new ATOM 523 N ILE A 33 0.341 -5.960 4.851 1.00 0.00 N ATOM 524 CA ILE A 33 -0.055 -4.613 5.226 1.00 0.00 C ATOM 525 C ILE A 33 1.092 -3.646 4.925 1.00 0.00 C ATOM 526 O ILE A 33 2.008 -3.494 5.731 1.00 0.00 O ATOM 527 CB ILE A 33 -0.522 -4.578 6.683 1.00 0.00 C ATOM 528 CG1 ILE A 33 -1.823 -5.363 6.860 1.00 0.00 C ATOM 529 CG2 ILE A 33 -0.649 -3.138 7.183 1.00 0.00 C ATOM 530 CD1 ILE A 33 -1.824 -6.129 8.185 1.00 0.00 C ATOM 0 H ILE A 33 0.947 -6.429 5.524 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.910 -4.289 4.633 1.00 0.00 H new ATOM 0 HB ILE A 33 0.235 -5.066 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.672 -4.679 6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.947 -6.061 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.982 -3.141 8.221 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.319 -2.642 7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.375 -2.603 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.760 -6.679 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.988 -6.829 8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.725 -5.426 9.012 1.00 0.00 H new ATOM 542 N LEU A 34 1.004 -3.018 3.761 1.00 0.00 N ATOM 543 CA LEU A 34 2.023 -2.070 3.343 1.00 0.00 C ATOM 544 C LEU A 34 1.578 -0.654 3.713 1.00 0.00 C ATOM 545 O LEU A 34 0.406 -0.309 3.568 1.00 0.00 O ATOM 546 CB LEU A 34 2.341 -2.246 1.857 1.00 0.00 C ATOM 547 CG LEU A 34 3.182 -3.471 1.492 1.00 0.00 C ATOM 548 CD1 LEU A 34 4.660 -3.237 1.814 1.00 0.00 C ATOM 549 CD2 LEU A 34 2.641 -4.731 2.170 1.00 0.00 C ATOM 0 H LEU A 34 0.243 -3.147 3.095 1.00 0.00 H new ATOM 0 HA LEU A 34 2.958 -2.259 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.401 -2.299 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.863 -1.355 1.509 1.00 0.00 H new ATOM 0 HG LEU A 34 3.107 -3.628 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.236 -4.123 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.025 -2.381 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.773 -3.040 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.257 -5.586 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.665 -4.601 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.614 -4.905 1.849 1.00 0.00 H new ATOM 561 N ARG A 35 2.537 0.129 4.185 1.00 0.00 N ATOM 562 CA ARG A 35 2.259 1.500 4.577 1.00 0.00 C ATOM 563 C ARG A 35 3.113 2.470 3.758 1.00 0.00 C ATOM 564 O ARG A 35 4.269 2.180 3.453 1.00 0.00 O ATOM 565 CB ARG A 35 2.541 1.715 6.065 1.00 0.00 C ATOM 566 CG ARG A 35 2.108 3.114 6.509 1.00 0.00 C ATOM 567 CD ARG A 35 3.318 4.038 6.666 1.00 0.00 C ATOM 568 NE ARG A 35 4.063 3.692 7.897 1.00 0.00 N ATOM 569 CZ ARG A 35 5.165 2.930 7.919 1.00 0.00 C ATOM 570 NH1 ARG A 35 5.656 2.429 6.777 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.775 2.667 9.082 1.00 0.00 N ATOM 0 H ARG A 35 3.508 -0.160 4.305 1.00 0.00 H new ATOM 0 HA ARG A 35 1.203 1.691 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.012 0.964 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.605 1.581 6.260 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.417 3.534 5.778 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.570 3.049 7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.971 3.946 5.798 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.990 5.076 6.710 1.00 0.00 H new ATOM 0 HE ARG A 35 3.716 4.056 8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.191 2.628 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.495 1.849 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.401 3.047 9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.614 2.087 9.098 1.00 0.00 H new ATOM 585 N ILE A 36 2.511 3.602 3.425 1.00 0.00 N ATOM 586 CA ILE A 36 3.202 4.617 2.647 1.00 0.00 C ATOM 587 C ILE A 36 3.933 5.570 3.595 1.00 0.00 C ATOM 588 O ILE A 36 3.386 5.969 4.622 1.00 0.00 O ATOM 589 CB ILE A 36 2.229 5.319 1.698 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.786 4.380 0.574 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.832 6.616 1.156 1.00 0.00 C ATOM 592 CD1 ILE A 36 2.995 3.780 -0.148 1.00 0.00 C ATOM 0 H ILE A 36 1.552 3.839 3.680 1.00 0.00 H new ATOM 0 HA ILE A 36 3.958 4.159 2.009 1.00 0.00 H new ATOM 0 HB ILE A 36 1.337 5.590 2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.170 3.580 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.167 4.926 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.120 7.095 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.057 7.287 1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.749 6.391 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.652 3.117 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.596 4.581 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.599 3.215 0.562 1.00 0.00 H new ATOM 604 N ARG A 37 5.156 5.908 3.216 1.00 0.00 N ATOM 605 CA ARG A 37 5.967 6.808 4.019 1.00 0.00 C ATOM 606 C ARG A 37 6.775 7.743 3.117 1.00 0.00 C ATOM 607 O ARG A 37 6.890 7.505 1.915 1.00 0.00 O ATOM 608 CB ARG A 37 6.925 6.028 4.921 1.00 0.00 C ATOM 609 CG ARG A 37 7.939 5.238 4.091 1.00 0.00 C ATOM 610 CD ARG A 37 8.997 4.591 4.988 1.00 0.00 C ATOM 611 NE ARG A 37 9.556 3.391 4.327 1.00 0.00 N ATOM 612 CZ ARG A 37 10.635 2.727 4.763 1.00 0.00 C ATOM 613 NH1 ARG A 37 11.278 3.142 5.863 1.00 0.00 N ATOM 614 NH2 ARG A 37 11.072 1.648 4.099 1.00 0.00 N ATOM 0 H ARG A 37 5.606 5.575 2.363 1.00 0.00 H new ATOM 0 HA ARG A 37 5.293 7.394 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.450 6.717 5.583 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.359 5.346 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.423 4.468 3.517 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.422 5.901 3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.794 5.305 5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.555 4.316 5.946 1.00 0.00 H new ATOM 0 HE ARG A 37 9.091 3.048 3.487 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.946 3.963 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.099 2.636 6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.583 1.332 3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.893 1.143 4.431 1.00 0.00 H new ATOM 628 N VAL A 38 7.312 8.787 3.731 1.00 0.00 N ATOM 629 CA VAL A 38 8.106 9.759 2.998 1.00 0.00 C ATOM 630 C VAL A 38 9.565 9.663 3.448 1.00 0.00 C ATOM 631 O VAL A 38 9.899 10.043 4.569 1.00 0.00 O ATOM 632 CB VAL A 38 7.515 11.159 3.178 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.987 12.100 2.068 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.987 11.106 3.240 1.00 0.00 C ATOM 0 H VAL A 38 7.213 8.981 4.727 1.00 0.00 H new ATOM 0 HA VAL A 38 8.081 9.545 1.929 1.00 0.00 H new ATOM 0 HB VAL A 38 7.875 11.555 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.553 13.088 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.074 12.174 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.671 11.709 1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.593 12.114 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.600 10.680 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.678 10.486 4.082 1.00 0.00 H new ATOM 644 N VAL A 39 10.395 9.153 2.550 1.00 0.00 N ATOM 645 CA VAL A 39 11.811 9.002 2.840 1.00 0.00 C ATOM 646 C VAL A 39 12.589 10.130 2.161 1.00 0.00 C ATOM 647 O VAL A 39 12.359 10.431 0.990 1.00 0.00 O ATOM 648 CB VAL A 39 12.286 7.610 2.420 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.526 6.519 3.177 1.00 0.00 C ATOM 650 CG2 VAL A 39 12.155 7.420 0.908 1.00 0.00 C ATOM 0 H VAL A 39 10.114 8.839 1.621 1.00 0.00 H new ATOM 0 HA VAL A 39 11.992 9.082 3.912 1.00 0.00 H new ATOM 0 HB VAL A 39 13.341 7.524 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.883 5.539 2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.692 6.636 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.460 6.603 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 39 12.499 6.422 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.111 7.536 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.761 8.166 0.394 1.00 0.00 H new ATOM 660 N PRO A 40 13.520 10.740 2.944 1.00 0.00 N ATOM 661 CA PRO A 40 14.334 11.828 2.429 1.00 0.00 C ATOM 662 C PRO A 40 15.419 11.303 1.488 1.00 0.00 C ATOM 663 O PRO A 40 16.564 11.115 1.898 1.00 0.00 O ATOM 664 CB PRO A 40 14.898 12.514 3.663 1.00 0.00 C ATOM 665 CG PRO A 40 14.759 11.512 4.797 1.00 0.00 C ATOM 666 CD PRO A 40 13.820 10.410 4.334 1.00 0.00 C ATOM 0 HA PRO A 40 13.762 12.532 1.824 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.941 12.792 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.352 13.432 3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.732 11.098 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 40 14.366 11.998 5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 40 14.289 9.429 4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.914 10.382 4.939 1.00 0.00 H new ATOM 737 N GLN A 47 10.865 9.485 -3.546 1.00 0.00 N ATOM 738 CA GLN A 47 9.562 8.868 -3.722 1.00 0.00 C ATOM 739 C GLN A 47 9.178 8.072 -2.473 1.00 0.00 C ATOM 740 O GLN A 47 10.036 7.738 -1.658 1.00 0.00 O ATOM 741 CB GLN A 47 9.539 7.980 -4.968 1.00 0.00 C ATOM 742 CG GLN A 47 9.436 8.822 -6.240 1.00 0.00 C ATOM 743 CD GLN A 47 10.822 9.234 -6.740 1.00 0.00 C ATOM 744 OE1 GLN A 47 11.845 8.843 -6.202 1.00 0.00 O ATOM 745 NE2 GLN A 47 10.799 10.043 -7.795 1.00 0.00 N ATOM 0 HA GLN A 47 8.825 9.658 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.443 7.372 -5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.695 7.293 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.920 8.255 -7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.837 9.711 -6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.907 10.332 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.673 10.374 -8.203 1.00 0.00 H new ATOM 754 N TYR A 48 7.888 7.791 -2.363 1.00 0.00 N ATOM 755 CA TYR A 48 7.380 7.040 -1.227 1.00 0.00 C ATOM 756 C TYR A 48 7.582 5.537 -1.429 1.00 0.00 C ATOM 757 O TYR A 48 7.171 4.983 -2.448 1.00 0.00 O ATOM 758 CB TYR A 48 5.881 7.337 -1.162 1.00 0.00 C ATOM 759 CG TYR A 48 5.540 8.828 -1.184 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.463 9.536 -0.001 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.311 9.466 -2.386 1.00 0.00 C ATOM 762 CE1 TYR A 48 5.142 10.939 -0.022 1.00 0.00 C ATOM 763 CE2 TYR A 48 4.990 10.870 -2.406 1.00 0.00 C ATOM 764 CZ TYR A 48 4.922 11.537 -1.223 1.00 0.00 C ATOM 765 OH TYR A 48 4.619 12.863 -1.243 1.00 0.00 O ATOM 0 H TYR A 48 7.179 8.070 -3.042 1.00 0.00 H new ATOM 0 HA TYR A 48 7.903 7.325 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.388 6.850 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.473 6.895 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.644 9.037 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.372 8.913 -3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.077 11.504 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.807 11.381 -3.340 1.00 0.00 H new ATOM 0 HH TYR A 48 4.497 13.185 -0.325 1.00 0.00 H new ATOM 775 N ALA A 49 8.214 4.919 -0.443 1.00 0.00 N ATOM 776 CA ALA A 49 8.475 3.491 -0.499 1.00 0.00 C ATOM 777 C ALA A 49 7.508 2.762 0.436 1.00 0.00 C ATOM 778 O ALA A 49 6.954 3.365 1.354 1.00 0.00 O ATOM 779 CB ALA A 49 9.940 3.225 -0.145 1.00 0.00 C ATOM 0 H ALA A 49 8.553 5.381 0.400 1.00 0.00 H new ATOM 0 HA ALA A 49 8.309 3.110 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.136 2.154 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.586 3.740 -0.856 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.144 3.592 0.861 1.00 0.00 H new ATOM 785 N MET A 50 7.334 1.476 0.171 1.00 0.00 N ATOM 786 CA MET A 50 6.444 0.659 0.977 1.00 0.00 C ATOM 787 C MET A 50 7.231 -0.179 1.986 1.00 0.00 C ATOM 788 O MET A 50 8.461 -0.193 1.962 1.00 0.00 O ATOM 789 CB MET A 50 5.635 -0.267 0.066 1.00 0.00 C ATOM 790 CG MET A 50 6.502 -1.412 -0.462 1.00 0.00 C ATOM 791 SD MET A 50 5.551 -2.436 -1.573 1.00 0.00 S ATOM 792 CE MET A 50 5.055 -1.212 -2.774 1.00 0.00 C ATOM 0 H MET A 50 7.795 0.979 -0.591 1.00 0.00 H new ATOM 0 HA MET A 50 5.774 1.320 1.526 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.786 -0.673 0.616 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.230 0.303 -0.770 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.373 -1.011 -0.980 1.00 0.00 H new ATOM 0 HG3 MET A 50 6.874 -2.011 0.369 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.988 -1.015 -2.673 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.612 -0.290 -2.605 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.262 -1.583 -3.778 1.00 0.00 H new ATOM 802 N GLY A 51 6.490 -0.858 2.850 1.00 0.00 N ATOM 803 CA GLY A 51 7.104 -1.696 3.866 1.00 0.00 C ATOM 804 C GLY A 51 6.041 -2.406 4.706 1.00 0.00 C ATOM 805 O GLY A 51 5.299 -1.763 5.447 1.00 0.00 O ATOM 0 H GLY A 51 5.470 -0.845 2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.751 -2.434 3.392 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.736 -1.087 4.512 1.00 0.00 H new ATOM 809 N PHE A 52 6.001 -3.723 4.563 1.00 0.00 N ATOM 810 CA PHE A 52 5.041 -4.527 5.300 1.00 0.00 C ATOM 811 C PHE A 52 5.369 -4.540 6.794 1.00 0.00 C ATOM 812 O PHE A 52 6.458 -4.953 7.191 1.00 0.00 O ATOM 813 CB PHE A 52 5.141 -5.953 4.756 1.00 0.00 C ATOM 814 CG PHE A 52 6.505 -6.610 4.978 1.00 0.00 C ATOM 815 CD1 PHE A 52 6.743 -7.316 6.116 1.00 0.00 C ATOM 816 CD2 PHE A 52 7.480 -6.487 4.038 1.00 0.00 C ATOM 817 CE1 PHE A 52 8.009 -7.926 6.322 1.00 0.00 C ATOM 818 CE2 PHE A 52 8.746 -7.097 4.244 1.00 0.00 C ATOM 819 CZ PHE A 52 8.984 -7.803 5.382 1.00 0.00 C ATOM 0 H PHE A 52 6.618 -4.253 3.948 1.00 0.00 H new ATOM 0 HA PHE A 52 4.039 -4.114 5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.373 -6.566 5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.925 -5.939 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.969 -7.413 6.863 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.292 -5.925 3.135 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.197 -8.488 7.225 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.520 -7.000 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.947 -8.266 5.539 1.00 0.00 H new ATOM 829 N ASP A 53 4.407 -4.083 7.583 1.00 0.00 N ATOM 830 CA ASP A 53 4.580 -4.036 9.025 1.00 0.00 C ATOM 831 C ASP A 53 4.065 -5.340 9.638 1.00 0.00 C ATOM 832 O ASP A 53 3.517 -6.187 8.934 1.00 0.00 O ATOM 833 CB ASP A 53 3.788 -2.880 9.637 1.00 0.00 C ATOM 834 CG ASP A 53 4.553 -2.047 10.668 1.00 0.00 C ATOM 835 OD1 ASP A 53 5.781 -2.255 10.767 1.00 0.00 O ATOM 836 OD2 ASP A 53 3.891 -1.221 11.334 1.00 0.00 O ATOM 0 H ASP A 53 3.505 -3.742 7.251 1.00 0.00 H new ATOM 0 HA ASP A 53 5.641 -3.896 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.456 -2.222 8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.892 -3.283 10.110 1.00 0.00 H new ATOM 841 N ASP A 54 4.259 -5.460 10.943 1.00 0.00 N ATOM 842 CA ASP A 54 3.821 -6.645 11.659 1.00 0.00 C ATOM 843 C ASP A 54 2.327 -6.526 11.969 1.00 0.00 C ATOM 844 O ASP A 54 1.668 -7.523 12.261 1.00 0.00 O ATOM 845 CB ASP A 54 4.568 -6.796 12.986 1.00 0.00 C ATOM 846 CG ASP A 54 5.586 -7.937 13.029 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.479 -7.934 12.155 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.447 -8.787 13.935 1.00 0.00 O ATOM 0 H ASP A 54 4.714 -4.755 11.523 1.00 0.00 H new ATOM 0 HA ASP A 54 4.024 -7.512 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.084 -5.861 13.204 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.838 -6.950 13.781 1.00 0.00 H new ATOM 853 N THR A 55 1.836 -5.297 11.895 1.00 0.00 N ATOM 854 CA THR A 55 0.433 -5.035 12.164 1.00 0.00 C ATOM 855 C THR A 55 0.082 -3.590 11.803 1.00 0.00 C ATOM 856 O THR A 55 0.951 -2.818 11.399 1.00 0.00 O ATOM 857 CB THR A 55 0.160 -5.379 13.629 1.00 0.00 C ATOM 858 OG1 THR A 55 -1.140 -5.962 13.613 1.00 0.00 O ATOM 859 CG2 THR A 55 -0.003 -4.133 14.503 1.00 0.00 C ATOM 0 H THR A 55 2.385 -4.472 11.653 1.00 0.00 H new ATOM 0 HA THR A 55 -0.212 -5.658 11.544 1.00 0.00 H new ATOM 0 HB THR A 55 0.976 -5.990 14.015 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.396 -6.217 14.524 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.195 -4.434 15.533 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.910 -3.538 14.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.840 -3.539 14.137 1.00 0.00 H new ATOM 867 N VAL A 56 -1.193 -3.266 11.963 1.00 0.00 N ATOM 868 CA VAL A 56 -1.669 -1.928 11.659 1.00 0.00 C ATOM 869 C VAL A 56 -1.691 -1.095 12.943 1.00 0.00 C ATOM 870 O VAL A 56 -1.794 -1.643 14.040 1.00 0.00 O ATOM 871 CB VAL A 56 -3.033 -2.001 10.971 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.163 -2.076 12.000 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.233 -0.818 10.022 1.00 0.00 C ATOM 0 H VAL A 56 -1.911 -3.908 12.299 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.994 -1.432 10.961 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.060 -2.915 10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.122 -2.127 11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.035 -2.966 12.617 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.138 -1.189 12.633 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.211 -0.895 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.175 0.114 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.456 -0.829 9.258 1.00 0.00 H new ATOM 883 N GLU A 57 -1.593 0.214 12.763 1.00 0.00 N ATOM 884 CA GLU A 57 -1.600 1.127 13.894 1.00 0.00 C ATOM 885 C GLU A 57 -3.016 1.260 14.459 1.00 0.00 C ATOM 886 O GLU A 57 -3.976 0.782 13.857 1.00 0.00 O ATOM 887 CB GLU A 57 -1.036 2.493 13.499 1.00 0.00 C ATOM 888 CG GLU A 57 0.220 2.339 12.639 1.00 0.00 C ATOM 889 CD GLU A 57 1.317 3.305 13.094 1.00 0.00 C ATOM 890 OE1 GLU A 57 1.091 4.526 12.956 1.00 0.00 O ATOM 891 OE2 GLU A 57 2.357 2.800 13.569 1.00 0.00 O ATOM 0 H GLU A 57 -1.508 0.664 11.852 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.956 0.717 14.672 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.790 3.057 12.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.799 3.066 14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.584 1.314 12.701 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.025 2.527 11.594 1.00 0.00 H new ATOM 898 N GLU A 58 -3.100 1.913 15.609 1.00 0.00 N ATOM 899 CA GLU A 58 -4.383 2.116 16.261 1.00 0.00 C ATOM 900 C GLU A 58 -5.076 3.357 15.696 1.00 0.00 C ATOM 901 O GLU A 58 -5.927 3.952 16.355 1.00 0.00 O ATOM 902 CB GLU A 58 -4.215 2.225 17.778 1.00 0.00 C ATOM 903 CG GLU A 58 -5.544 1.983 18.496 1.00 0.00 C ATOM 904 CD GLU A 58 -5.381 2.118 20.011 1.00 0.00 C ATOM 905 OE1 GLU A 58 -4.837 3.161 20.433 1.00 0.00 O ATOM 906 OE2 GLU A 58 -5.805 1.175 20.714 1.00 0.00 O ATOM 0 H GLU A 58 -2.301 2.308 16.106 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.012 1.249 16.059 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.476 1.499 18.119 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.833 3.213 18.035 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.288 2.696 18.142 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.916 0.988 18.254 1.00 0.00 H new ATOM 913 N GLY A 59 -4.686 3.711 14.480 1.00 0.00 N ATOM 914 CA GLY A 59 -5.259 4.871 13.818 1.00 0.00 C ATOM 915 C GLY A 59 -4.570 5.133 12.477 1.00 0.00 C ATOM 916 O GLY A 59 -3.970 6.188 12.280 1.00 0.00 O ATOM 0 H GLY A 59 -3.980 3.215 13.936 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.326 4.713 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.159 5.747 14.459 1.00 0.00 H new ATOM 920 N ASP A 60 -4.680 4.155 11.591 1.00 0.00 N ATOM 921 CA ASP A 60 -4.076 4.266 10.274 1.00 0.00 C ATOM 922 C ASP A 60 -5.133 3.979 9.206 1.00 0.00 C ATOM 923 O ASP A 60 -5.891 3.016 9.321 1.00 0.00 O ATOM 924 CB ASP A 60 -2.942 3.254 10.101 1.00 0.00 C ATOM 925 CG ASP A 60 -1.639 3.832 9.544 1.00 0.00 C ATOM 926 OD1 ASP A 60 -1.598 5.068 9.363 1.00 0.00 O ATOM 927 OD2 ASP A 60 -0.714 3.024 9.312 1.00 0.00 O ATOM 0 H ASP A 60 -5.179 3.281 11.759 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.678 5.275 10.170 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.734 2.795 11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.282 2.459 9.437 1.00 0.00 H new ATOM 932 N HIS A 61 -5.150 4.831 8.192 1.00 0.00 N ATOM 933 CA HIS A 61 -6.102 4.680 7.104 1.00 0.00 C ATOM 934 C HIS A 61 -5.825 3.374 6.357 1.00 0.00 C ATOM 935 O HIS A 61 -5.007 3.341 5.439 1.00 0.00 O ATOM 936 CB HIS A 61 -6.077 5.904 6.187 1.00 0.00 C ATOM 937 CG HIS A 61 -6.504 7.186 6.862 1.00 0.00 C ATOM 938 ND1 HIS A 61 -7.830 7.504 7.097 1.00 0.00 N ATOM 939 CD2 HIS A 61 -5.766 8.224 7.350 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.877 8.683 7.699 1.00 0.00 C ATOM 941 NE2 HIS A 61 -6.597 9.128 7.855 1.00 0.00 N ATOM 0 H HIS A 61 -4.520 5.628 8.100 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.113 4.620 7.507 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.068 6.031 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.730 5.720 5.334 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -8.635 6.928 6.849 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.689 8.298 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -8.772 9.201 8.011 1.00 0.00 H new ATOM 949 N VAL A 62 -6.522 2.329 6.778 1.00 0.00 N ATOM 950 CA VAL A 62 -6.361 1.024 6.160 1.00 0.00 C ATOM 951 C VAL A 62 -7.200 0.963 4.882 1.00 0.00 C ATOM 952 O VAL A 62 -8.362 1.366 4.878 1.00 0.00 O ATOM 953 CB VAL A 62 -6.717 -0.077 7.162 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.149 -0.571 6.948 1.00 0.00 C ATOM 955 CG2 VAL A 62 -5.720 -1.234 7.082 1.00 0.00 C ATOM 0 H VAL A 62 -7.200 2.360 7.540 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.322 0.862 5.875 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.656 0.349 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.376 -1.353 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.844 0.259 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.249 -0.971 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.996 -2.003 7.804 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.734 -1.658 6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.718 -0.867 7.307 1.00 0.00 H new ATOM 965 N PHE A 63 -6.578 0.455 3.828 1.00 0.00 N ATOM 966 CA PHE A 63 -7.253 0.336 2.547 1.00 0.00 C ATOM 967 C PHE A 63 -7.386 -1.131 2.131 1.00 0.00 C ATOM 968 O PHE A 63 -6.425 -1.893 2.216 1.00 0.00 O ATOM 969 CB PHE A 63 -6.391 1.069 1.517 1.00 0.00 C ATOM 970 CG PHE A 63 -7.147 2.129 0.714 1.00 0.00 C ATOM 971 CD1 PHE A 63 -8.099 2.889 1.318 1.00 0.00 C ATOM 972 CD2 PHE A 63 -6.868 2.311 -0.605 1.00 0.00 C ATOM 973 CE1 PHE A 63 -8.801 3.873 0.573 1.00 0.00 C ATOM 974 CE2 PHE A 63 -7.569 3.294 -1.350 1.00 0.00 C ATOM 975 CZ PHE A 63 -8.521 4.055 -0.746 1.00 0.00 C ATOM 0 H PHE A 63 -5.614 0.121 3.835 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.255 0.759 2.614 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.555 1.544 2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.968 0.339 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.321 2.744 2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.112 1.707 -1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.557 4.477 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.347 3.438 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.054 4.803 -1.313 1.00 0.00 H new ATOM 985 N GLU A 64 -8.586 -1.481 1.691 1.00 0.00 N ATOM 986 CA GLU A 64 -8.857 -2.843 1.263 1.00 0.00 C ATOM 987 C GLU A 64 -8.572 -2.995 -0.233 1.00 0.00 C ATOM 988 O GLU A 64 -9.146 -2.281 -1.054 1.00 0.00 O ATOM 989 CB GLU A 64 -10.296 -3.244 1.590 1.00 0.00 C ATOM 990 CG GLU A 64 -10.601 -3.032 3.075 1.00 0.00 C ATOM 991 CD GLU A 64 -12.079 -3.287 3.373 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.405 -4.457 3.668 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.851 -2.306 3.300 1.00 0.00 O ATOM 0 H GLU A 64 -9.381 -0.846 1.622 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.195 -3.514 1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.987 -2.656 0.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.454 -4.290 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.985 -3.701 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.339 -2.014 3.362 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.686 -3.930 -0.542 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.318 -4.185 -1.924 1.00 0.00 C ATOM 1002 C TYR A 65 -7.734 -5.594 -2.351 1.00 0.00 C ATOM 1003 O TYR A 65 -8.508 -6.254 -1.659 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.793 -4.078 -1.981 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.281 -2.698 -2.399 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.404 -2.284 -3.710 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.696 -1.867 -1.465 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -4.922 -0.985 -4.103 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.215 -0.568 -1.858 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.352 -0.192 -3.158 1.00 0.00 C ATOM 1011 OH TYR A 65 -3.897 1.035 -3.529 1.00 0.00 O ATOM 0 H TYR A 65 -7.212 -4.520 0.141 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.812 -3.477 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.385 -4.324 -1.001 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.413 -4.822 -2.680 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.862 -2.934 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.599 -2.191 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.012 -0.649 -5.125 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.756 0.093 -1.137 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.515 1.492 -2.750 1.00 0.00 H new ATOM 1021 N ASP A 66 -7.203 -6.014 -3.490 1.00 0.00 N ATOM 1022 CA ASP A 66 -7.510 -7.332 -4.018 1.00 0.00 C ATOM 1023 C ASP A 66 -6.943 -8.398 -3.078 1.00 0.00 C ATOM 1024 O ASP A 66 -5.956 -9.056 -3.404 1.00 0.00 O ATOM 1025 CB ASP A 66 -6.880 -7.534 -5.397 1.00 0.00 C ATOM 1026 CG ASP A 66 -7.481 -8.673 -6.223 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -8.132 -9.541 -5.603 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -7.278 -8.648 -7.456 1.00 0.00 O ATOM 0 H ASP A 66 -6.562 -5.464 -4.062 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.593 -7.418 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.974 -6.607 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.814 -7.722 -5.269 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.591 -8.535 -1.931 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.163 -9.510 -0.942 1.00 0.00 C ATOM 1035 C GLY A 67 -5.867 -9.067 -0.261 1.00 0.00 C ATOM 1036 O GLY A 67 -5.136 -9.892 0.286 1.00 0.00 O ATOM 0 H GLY A 67 -8.409 -7.987 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.945 -9.642 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.014 -10.478 -1.421 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.620 -7.767 -0.317 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.424 -7.205 0.287 1.00 0.00 C ATOM 1042 C VAL A 68 -4.810 -5.996 1.141 1.00 0.00 C ATOM 1043 O VAL A 68 -5.839 -5.366 0.904 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.399 -6.868 -0.798 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.202 -6.119 -0.207 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.946 -8.130 -1.535 1.00 0.00 C ATOM 0 H VAL A 68 -6.228 -7.086 -0.772 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.951 -7.932 0.947 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.881 -6.212 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.488 -5.891 -0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.544 -5.191 0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.720 -6.741 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.218 -7.863 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.490 -8.821 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.807 -8.606 -2.004 1.00 0.00 H new ATOM 1056 N LYS A 69 -3.962 -5.707 2.118 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.201 -4.584 3.009 1.00 0.00 C ATOM 1058 C LYS A 69 -3.109 -3.533 2.802 1.00 0.00 C ATOM 1059 O LYS A 69 -1.953 -3.874 2.554 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.325 -5.066 4.456 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.464 -4.343 5.178 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.612 -4.850 6.614 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.078 -5.130 6.949 1.00 0.00 C ATOM 1064 NZ LYS A 69 -7.257 -5.277 8.411 1.00 0.00 N ATOM 0 H LYS A 69 -3.109 -6.231 2.312 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.152 -4.106 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.504 -6.141 4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.387 -4.892 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.272 -3.270 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.398 -4.496 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.026 -5.759 6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.212 -4.110 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.703 -4.317 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.406 -6.038 6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.258 -5.467 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.675 -6.068 8.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.964 -4.400 8.887 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.513 -2.276 2.912 1.00 0.00 N ATOM 1079 CA VAL A 70 -2.583 -1.173 2.740 1.00 0.00 C ATOM 1080 C VAL A 70 -2.978 -0.029 3.675 1.00 0.00 C ATOM 1081 O VAL A 70 -4.136 0.079 4.075 1.00 0.00 O ATOM 1082 CB VAL A 70 -2.534 -0.754 1.269 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -1.833 0.596 1.107 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -1.860 -1.829 0.415 1.00 0.00 C ATOM 0 H VAL A 70 -4.472 -1.997 3.118 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.572 -1.479 3.010 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.560 -0.643 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.812 0.871 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.374 1.357 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.813 0.524 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.838 -1.506 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.841 -1.987 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.420 -2.761 0.494 1.00 0.00 H new ATOM 1094 N VAL A 71 -1.993 0.797 3.996 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.223 1.930 4.877 1.00 0.00 C ATOM 1096 C VAL A 71 -1.352 3.105 4.427 1.00 0.00 C ATOM 1097 O VAL A 71 -0.419 2.927 3.646 1.00 0.00 O ATOM 1098 CB VAL A 71 -1.972 1.522 6.330 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -2.411 0.077 6.577 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -0.504 1.722 6.711 1.00 0.00 C ATOM 0 H VAL A 71 -1.034 0.704 3.662 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.262 2.254 4.819 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.574 2.169 6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.222 -0.188 7.617 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.476 -0.021 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.849 -0.591 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.354 1.424 7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.126 1.112 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.237 2.772 6.593 1.00 0.00 H new ATOM 1110 N ILE A 72 -1.688 4.279 4.940 1.00 0.00 N ATOM 1111 CA ILE A 72 -0.949 5.483 4.601 1.00 0.00 C ATOM 1112 C ILE A 72 -0.930 6.422 5.810 1.00 0.00 C ATOM 1113 O ILE A 72 -1.978 6.889 6.253 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.519 6.123 3.334 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.508 5.133 2.167 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.779 7.419 2.994 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.133 5.753 0.916 1.00 0.00 C ATOM 0 H ILE A 72 -2.462 4.422 5.588 1.00 0.00 H new ATOM 0 HA ILE A 72 0.088 5.241 4.369 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.560 6.387 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.483 4.829 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.057 4.233 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.204 7.854 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.883 8.124 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.277 7.203 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.113 5.029 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.165 6.034 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.567 6.639 0.628 1.00 0.00 H new ATOM 1129 N ASP A 73 0.273 6.670 6.307 1.00 0.00 N ATOM 1130 CA ASP A 73 0.441 7.544 7.455 1.00 0.00 C ATOM 1131 C ASP A 73 -0.525 8.725 7.338 1.00 0.00 C ATOM 1132 O ASP A 73 -0.935 9.089 6.237 1.00 0.00 O ATOM 1133 CB ASP A 73 1.865 8.103 7.518 1.00 0.00 C ATOM 1134 CG ASP A 73 2.815 7.347 8.449 1.00 0.00 C ATOM 1135 OD1 ASP A 73 2.487 7.267 9.652 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.848 6.866 7.935 1.00 0.00 O ATOM 0 H ASP A 73 1.140 6.281 5.936 1.00 0.00 H new ATOM 0 HA ASP A 73 0.242 6.961 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.286 8.099 6.513 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.817 9.144 7.839 1.00 0.00 H new ATOM 1141 N PRO A 74 -0.869 9.305 8.519 1.00 0.00 N ATOM 1142 CA PRO A 74 -1.780 10.437 8.559 1.00 0.00 C ATOM 1143 C PRO A 74 -1.083 11.717 8.094 1.00 0.00 C ATOM 1144 O PRO A 74 -1.741 12.668 7.673 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.254 10.510 10.001 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.244 9.714 10.813 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.403 8.900 9.842 1.00 0.00 C ATOM 0 HA PRO A 74 -2.626 10.321 7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.303 11.543 10.344 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.255 10.092 10.105 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.612 10.383 11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.754 9.058 11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.660 9.107 9.968 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.540 7.830 10.000 1.00 0.00 H new ATOM 1155 N PHE A 75 0.238 11.701 8.185 1.00 0.00 N ATOM 1156 CA PHE A 75 1.031 12.849 7.779 1.00 0.00 C ATOM 1157 C PHE A 75 1.378 12.776 6.290 1.00 0.00 C ATOM 1158 O PHE A 75 1.572 13.805 5.644 1.00 0.00 O ATOM 1159 CB PHE A 75 2.325 12.810 8.594 1.00 0.00 C ATOM 1160 CG PHE A 75 2.514 14.014 9.519 1.00 0.00 C ATOM 1161 CD1 PHE A 75 1.729 14.155 10.620 1.00 0.00 C ATOM 1162 CD2 PHE A 75 3.467 14.943 9.240 1.00 0.00 C ATOM 1163 CE1 PHE A 75 1.904 15.272 11.479 1.00 0.00 C ATOM 1164 CE2 PHE A 75 3.642 16.060 10.099 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.857 16.201 11.201 1.00 0.00 C ATOM 0 H PHE A 75 0.780 10.911 8.534 1.00 0.00 H new ATOM 0 HA PHE A 75 0.470 13.768 7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.338 11.899 9.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.172 12.754 7.910 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.972 13.417 10.841 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.091 14.831 8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.280 15.384 12.353 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.399 16.798 9.877 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.991 17.050 11.855 1.00 0.00 H new ATOM 1175 N SER A 76 1.444 11.551 5.790 1.00 0.00 N ATOM 1176 CA SER A 76 1.764 11.331 4.389 1.00 0.00 C ATOM 1177 C SER A 76 0.483 11.341 3.552 1.00 0.00 C ATOM 1178 O SER A 76 0.533 11.520 2.337 1.00 0.00 O ATOM 1179 CB SER A 76 2.514 10.012 4.196 1.00 0.00 C ATOM 1180 OG SER A 76 3.774 10.012 4.863 1.00 0.00 O ATOM 0 H SER A 76 1.282 10.701 6.329 1.00 0.00 H new ATOM 0 HA SER A 76 2.415 12.140 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.905 9.190 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.667 9.834 3.132 1.00 0.00 H new ATOM 0 HG SER A 76 3.999 9.098 5.137 1.00 0.00 H new ATOM 1186 N MET A 77 -0.635 11.146 4.237 1.00 0.00 N ATOM 1187 CA MET A 77 -1.926 11.130 3.572 1.00 0.00 C ATOM 1188 C MET A 77 -2.167 12.434 2.810 1.00 0.00 C ATOM 1189 O MET A 77 -2.509 12.413 1.629 1.00 0.00 O ATOM 1190 CB MET A 77 -3.033 10.933 4.610 1.00 0.00 C ATOM 1191 CG MET A 77 -3.994 9.822 4.182 1.00 0.00 C ATOM 1192 SD MET A 77 -5.266 10.490 3.123 1.00 0.00 S ATOM 1193 CE MET A 77 -4.591 10.069 1.525 1.00 0.00 C ATOM 0 H MET A 77 -0.673 10.998 5.245 1.00 0.00 H new ATOM 0 HA MET A 77 -1.935 10.307 2.857 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.592 10.685 5.575 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.584 11.865 4.741 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.447 9.039 3.658 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.446 9.362 5.061 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.400 9.788 0.851 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.060 10.929 1.116 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.900 9.233 1.631 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.975 13.568 3.536 1.00 0.00 N ATOM 1204 CA PRO A 78 -2.167 14.880 2.941 1.00 0.00 C ATOM 1205 C PRO A 78 -1.005 15.236 2.012 1.00 0.00 C ATOM 1206 O PRO A 78 -0.974 16.325 1.441 1.00 0.00 O ATOM 1207 CB PRO A 78 -2.299 15.830 4.120 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.714 15.096 5.315 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.570 13.631 4.938 1.00 0.00 C ATOM 0 HA PRO A 78 -3.052 14.929 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.764 16.761 3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.342 16.092 4.295 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.746 15.517 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.363 15.204 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.544 13.287 5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.201 12.998 5.561 1.00 0.00 H new ATOM 1217 N TYR A 79 -0.078 14.298 1.889 1.00 0.00 N ATOM 1218 CA TYR A 79 1.082 14.499 1.039 1.00 0.00 C ATOM 1219 C TYR A 79 0.885 13.836 -0.326 1.00 0.00 C ATOM 1220 O TYR A 79 1.480 14.256 -1.316 1.00 0.00 O ATOM 1221 CB TYR A 79 2.253 13.824 1.756 1.00 0.00 C ATOM 1222 CG TYR A 79 3.521 14.678 1.820 1.00 0.00 C ATOM 1223 CD1 TYR A 79 3.888 15.449 0.735 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.296 14.679 2.961 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.081 16.253 0.795 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.489 15.483 3.021 1.00 0.00 C ATOM 1227 CZ TYR A 79 5.823 16.231 1.935 1.00 0.00 C ATOM 1228 OH TYR A 79 6.949 16.990 1.991 1.00 0.00 O ATOM 0 H TYR A 79 -0.107 13.396 2.364 1.00 0.00 H new ATOM 0 HA TYR A 79 1.252 15.562 0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.947 13.571 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.484 12.887 1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.281 15.449 -0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.008 14.076 3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.380 16.860 -0.047 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.105 15.492 3.908 1.00 0.00 H new ATOM 0 HH TYR A 79 7.377 16.876 2.865 1.00 0.00 H new ATOM 1238 N VAL A 80 0.046 12.810 -0.333 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.238 12.084 -1.559 1.00 0.00 C ATOM 1240 C VAL A 80 -1.730 11.753 -1.617 1.00 0.00 C ATOM 1241 O VAL A 80 -2.113 10.670 -2.056 1.00 0.00 O ATOM 1242 CB VAL A 80 0.654 10.844 -1.652 1.00 0.00 C ATOM 1243 CG1 VAL A 80 2.131 11.235 -1.724 1.00 0.00 C ATOM 1244 CG2 VAL A 80 0.394 9.894 -0.481 1.00 0.00 C ATOM 0 H VAL A 80 -0.446 12.465 0.491 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.008 12.699 -2.429 1.00 0.00 H new ATOM 0 HB VAL A 80 0.402 10.318 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.743 10.335 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.301 11.854 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.403 11.795 -0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.040 9.021 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.605 10.407 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.649 9.577 -0.495 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.533 12.706 -1.168 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.975 12.530 -1.163 1.00 0.00 C ATOM 1256 C ASN A 81 -4.519 12.768 -2.573 1.00 0.00 C ATOM 1257 O ASN A 81 -4.346 13.849 -3.134 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.650 13.529 -0.221 1.00 0.00 C ATOM 1259 CG ASN A 81 -4.805 14.896 -0.891 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -5.850 15.244 -1.416 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -3.709 15.648 -0.846 1.00 0.00 N ATOM 0 H ASN A 81 -2.212 13.603 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.189 11.516 -0.825 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.629 13.152 0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.060 13.631 0.690 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.710 16.577 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.867 15.296 -0.390 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.164 11.741 -3.106 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.734 11.825 -4.440 1.00 0.00 C ATOM 1270 C GLY A 82 -4.694 11.470 -5.504 1.00 0.00 C ATOM 1271 O GLY A 82 -5.032 10.912 -6.546 1.00 0.00 O ATOM 0 H GLY A 82 -5.305 10.846 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.585 11.149 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.110 12.833 -4.616 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.448 11.809 -5.204 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.356 11.533 -6.122 1.00 0.00 C ATOM 1277 C ALA A 83 -2.304 10.031 -6.408 1.00 0.00 C ATOM 1278 O ALA A 83 -3.080 9.261 -5.845 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.047 12.061 -5.532 1.00 0.00 C ATOM 0 H ALA A 83 -3.171 12.272 -4.338 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.514 12.044 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.228 11.854 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.126 13.137 -5.375 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.853 11.569 -4.579 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.380 9.660 -7.282 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.216 8.263 -7.650 1.00 0.00 C ATOM 1287 C GLU A 84 0.266 7.882 -7.638 1.00 0.00 C ATOM 1288 O GLU A 84 1.099 8.598 -8.192 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.845 7.978 -9.015 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.436 6.596 -9.529 1.00 0.00 C ATOM 1291 CD GLU A 84 -1.918 6.381 -10.965 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -1.498 7.180 -11.830 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.694 5.422 -11.166 1.00 0.00 O ATOM 0 H GLU A 84 -0.737 10.302 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.735 7.650 -6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.931 8.035 -8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.536 8.742 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.352 6.494 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.854 5.825 -8.882 1.00 0.00 H new ATOM 1300 N LEU A 85 0.550 6.756 -7.001 1.00 0.00 N ATOM 1301 CA LEU A 85 1.916 6.271 -6.910 1.00 0.00 C ATOM 1302 C LEU A 85 2.064 5.011 -7.766 1.00 0.00 C ATOM 1303 O LEU A 85 1.467 3.979 -7.465 1.00 0.00 O ATOM 1304 CB LEU A 85 2.318 6.072 -5.448 1.00 0.00 C ATOM 1305 CG LEU A 85 2.862 4.689 -5.084 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.189 4.417 -5.796 1.00 0.00 C ATOM 1307 CD2 LEU A 85 2.983 4.529 -3.567 1.00 0.00 C ATOM 0 H LEU A 85 -0.143 6.165 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 85 2.610 7.011 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.074 6.816 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.449 6.275 -4.822 1.00 0.00 H new ATOM 0 HG LEU A 85 2.150 3.940 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.554 3.428 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.039 4.460 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.921 5.169 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.372 3.537 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.662 5.286 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.001 4.650 -3.109 1.00 0.00 H new ATOM 1319 N ASP A 86 2.863 5.137 -8.815 1.00 0.00 N ATOM 1320 CA ASP A 86 3.097 4.021 -9.716 1.00 0.00 C ATOM 1321 C ASP A 86 4.400 3.322 -9.327 1.00 0.00 C ATOM 1322 O ASP A 86 5.486 3.793 -9.663 1.00 0.00 O ATOM 1323 CB ASP A 86 3.230 4.500 -11.163 1.00 0.00 C ATOM 1324 CG ASP A 86 2.910 5.980 -11.387 1.00 0.00 C ATOM 1325 OD1 ASP A 86 3.528 6.807 -10.683 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.054 6.249 -12.257 1.00 0.00 O ATOM 0 H ASP A 86 3.357 5.995 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 86 2.249 3.341 -9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.249 4.309 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.569 3.902 -11.790 1.00 0.00 H new ATOM 1331 N TYR A 87 4.251 2.208 -8.625 1.00 0.00 N ATOM 1332 CA TYR A 87 5.403 1.439 -8.187 1.00 0.00 C ATOM 1333 C TYR A 87 5.861 0.468 -9.277 1.00 0.00 C ATOM 1334 O TYR A 87 5.085 -0.370 -9.733 1.00 0.00 O ATOM 1335 CB TYR A 87 4.937 0.637 -6.970 1.00 0.00 C ATOM 1336 CG TYR A 87 6.057 0.290 -5.987 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.839 -0.827 -6.199 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.284 1.094 -4.889 1.00 0.00 C ATOM 1339 CE1 TYR A 87 7.893 -1.153 -5.274 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.338 0.767 -3.963 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.091 -0.340 -4.202 1.00 0.00 C ATOM 1342 OH TYR A 87 9.086 -0.649 -3.328 1.00 0.00 O ATOM 0 H TYR A 87 3.349 1.820 -8.349 1.00 0.00 H new ATOM 0 HA TYR A 87 6.240 2.099 -7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.170 1.206 -6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.470 -0.286 -7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.660 -1.456 -7.058 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.672 1.968 -4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.513 -2.024 -5.428 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.526 1.387 -3.099 1.00 0.00 H new ATOM 0 HH TYR A 87 9.765 0.057 -3.343 1.00 0.00 H new ATOM 1352 N VAL A 88 7.120 0.614 -9.664 1.00 0.00 N ATOM 1353 CA VAL A 88 7.691 -0.239 -10.692 1.00 0.00 C ATOM 1354 C VAL A 88 8.493 -1.361 -10.030 1.00 0.00 C ATOM 1355 O VAL A 88 9.082 -1.164 -8.969 1.00 0.00 O ATOM 1356 CB VAL A 88 8.524 0.599 -11.664 1.00 0.00 C ATOM 1357 CG1 VAL A 88 9.398 -0.294 -12.547 1.00 0.00 C ATOM 1358 CG2 VAL A 88 7.629 1.503 -12.515 1.00 0.00 C ATOM 0 H VAL A 88 7.761 1.311 -9.284 1.00 0.00 H new ATOM 0 HA VAL A 88 6.903 -0.707 -11.281 1.00 0.00 H new ATOM 0 HB VAL A 88 9.183 1.238 -11.076 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.980 0.326 -13.229 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.073 -0.876 -11.920 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.764 -0.969 -13.122 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.246 2.088 -13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.934 0.890 -13.089 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.069 2.176 -11.866 1.00 0.00 H new ATOM 1447 N GLY A 95 11.104 0.182 -8.455 1.00 0.00 N ATOM 1448 CA GLY A 95 11.183 1.569 -8.882 1.00 0.00 C ATOM 1449 C GLY A 95 10.009 2.379 -8.328 1.00 0.00 C ATOM 1450 O GLY A 95 8.856 2.124 -8.674 1.00 0.00 O ATOM 0 HA2 GLY A 95 12.123 2.005 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.183 1.619 -9.971 1.00 0.00 H new ATOM 1454 N PHE A 96 10.342 3.340 -7.480 1.00 0.00 N ATOM 1455 CA PHE A 96 9.330 4.190 -6.875 1.00 0.00 C ATOM 1456 C PHE A 96 9.113 5.458 -7.704 1.00 0.00 C ATOM 1457 O PHE A 96 10.011 6.289 -7.821 1.00 0.00 O ATOM 1458 CB PHE A 96 9.845 4.583 -5.489 1.00 0.00 C ATOM 1459 CG PHE A 96 10.348 3.404 -4.655 1.00 0.00 C ATOM 1460 CD1 PHE A 96 11.618 2.946 -4.819 1.00 0.00 C ATOM 1461 CD2 PHE A 96 9.524 2.812 -3.748 1.00 0.00 C ATOM 1462 CE1 PHE A 96 12.084 1.851 -4.044 1.00 0.00 C ATOM 1463 CE2 PHE A 96 9.990 1.717 -2.973 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.260 1.260 -3.137 1.00 0.00 C ATOM 0 H PHE A 96 11.299 3.550 -7.197 1.00 0.00 H new ATOM 0 HA PHE A 96 8.381 3.657 -6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.654 5.304 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.045 5.085 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 96 12.272 3.415 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.515 3.175 -3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.093 1.487 -4.175 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.336 1.247 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.615 0.428 -2.547 1.00 0.00 H new ATOM 1474 N THR A 97 7.914 5.565 -8.258 1.00 0.00 N ATOM 1475 CA THR A 97 7.567 6.717 -9.073 1.00 0.00 C ATOM 1476 C THR A 97 6.089 7.071 -8.895 1.00 0.00 C ATOM 1477 O THR A 97 5.237 6.185 -8.849 1.00 0.00 O ATOM 1478 CB THR A 97 7.946 6.404 -10.522 1.00 0.00 C ATOM 1479 OG1 THR A 97 7.547 7.566 -11.244 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.095 5.282 -11.120 1.00 0.00 C ATOM 0 H THR A 97 7.171 4.873 -8.159 1.00 0.00 H new ATOM 0 HA THR A 97 8.121 7.602 -8.761 1.00 0.00 H new ATOM 0 HB THR A 97 8.999 6.126 -10.570 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.758 7.449 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.405 5.100 -12.149 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.228 4.372 -10.534 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.045 5.573 -11.103 1.00 0.00 H new ATOM 1488 N ILE A 98 5.831 8.367 -8.799 1.00 0.00 N ATOM 1489 CA ILE A 98 4.471 8.848 -8.627 1.00 0.00 C ATOM 1490 C ILE A 98 4.113 9.778 -9.788 1.00 0.00 C ATOM 1491 O ILE A 98 4.926 10.604 -10.200 1.00 0.00 O ATOM 1492 CB ILE A 98 4.300 9.491 -7.249 1.00 0.00 C ATOM 1493 CG1 ILE A 98 4.577 8.480 -6.134 1.00 0.00 C ATOM 1494 CG2 ILE A 98 2.918 10.133 -7.111 1.00 0.00 C ATOM 1495 CD1 ILE A 98 6.011 8.614 -5.617 1.00 0.00 C ATOM 0 H ILE A 98 6.541 9.099 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 98 3.767 8.017 -8.655 1.00 0.00 H new ATOM 0 HB ILE A 98 5.036 10.289 -7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.875 8.635 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.414 7.469 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.823 10.583 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.797 10.903 -7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.149 9.372 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.182 7.884 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.710 8.434 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.163 9.619 -5.223 1.00 0.00 H new ATOM 1507 N ARG A 99 2.895 9.613 -10.282 1.00 0.00 N ATOM 1508 CA ARG A 99 2.419 10.427 -11.388 1.00 0.00 C ATOM 1509 C ARG A 99 1.457 11.503 -10.879 1.00 0.00 C ATOM 1510 O ARG A 99 0.306 11.209 -10.558 1.00 0.00 O ATOM 1511 CB ARG A 99 1.707 9.570 -12.437 1.00 0.00 C ATOM 1512 CG ARG A 99 2.296 9.807 -13.829 1.00 0.00 C ATOM 1513 CD ARG A 99 1.466 10.829 -14.609 1.00 0.00 C ATOM 1514 NE ARG A 99 1.211 10.334 -15.980 1.00 0.00 N ATOM 1515 CZ ARG A 99 0.683 11.078 -16.961 1.00 0.00 C ATOM 1516 NH1 ARG A 99 0.351 12.355 -16.729 1.00 0.00 N ATOM 1517 NH2 ARG A 99 0.486 10.545 -18.174 1.00 0.00 N ATOM 0 H ARG A 99 2.223 8.928 -9.937 1.00 0.00 H new ATOM 0 HA ARG A 99 3.286 10.899 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.798 8.516 -12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.643 9.806 -12.443 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.323 10.161 -13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.331 8.866 -14.378 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.521 11.009 -14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.993 11.782 -14.650 1.00 0.00 H new ATOM 0 HE ARG A 99 1.452 9.366 -16.191 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.500 12.761 -15.805 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.051 12.921 -17.476 1.00 0.00 H new ATOM 0 HH21 ARG A 99 0.738 9.573 -18.351 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.084 11.112 -18.921 1.00 0.00 H new ATOM 1531 N ASN A 100 1.963 12.725 -10.822 1.00 0.00 N ATOM 1532 CA ASN A 100 1.163 13.846 -10.358 1.00 0.00 C ATOM 1533 C ASN A 100 -0.141 13.900 -11.155 1.00 0.00 C ATOM 1534 O ASN A 100 -0.199 13.433 -12.292 1.00 0.00 O ATOM 1535 CB ASN A 100 1.899 15.171 -10.565 1.00 0.00 C ATOM 1536 CG ASN A 100 3.173 15.229 -9.720 1.00 0.00 C ATOM 1537 OD1 ASN A 100 3.487 14.327 -8.961 1.00 0.00 O ATOM 1538 ND2 ASN A 100 3.887 16.338 -9.892 1.00 0.00 N ATOM 0 H ASN A 100 2.918 12.964 -11.089 1.00 0.00 H new ATOM 0 HA ASN A 100 0.968 13.704 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.152 15.290 -11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.244 16.000 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.754 16.472 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.567 17.055 -10.544 1.00 0.00 H new ATOM 1545 N PRO A 101 -1.184 14.489 -10.511 1.00 0.00 N ATOM 1546 CA PRO A 101 -2.485 14.610 -11.148 1.00 0.00 C ATOM 1547 C PRO A 101 -2.475 15.711 -12.210 1.00 0.00 C ATOM 1548 O PRO A 101 -2.345 16.890 -11.886 1.00 0.00 O ATOM 1549 CB PRO A 101 -3.455 14.891 -10.011 1.00 0.00 C ATOM 1550 CG PRO A 101 -2.605 15.376 -8.848 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.153 15.053 -9.165 1.00 0.00 C ATOM 0 HA PRO A 101 -2.774 13.708 -11.688 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.188 15.644 -10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.011 13.993 -9.741 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.734 16.448 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.911 14.889 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.531 15.947 -9.124 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -0.739 14.344 -8.448 1.00 0.00 H new