USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 13 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 17 ASN :FLIP amide:sc=-0.00769 F(o=-0.77,f=-0.0077) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -28:sc= 0.18 USER MOD Single : A 29 SER OG : rot 45:sc= 0.0231 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -0.0357 (180deg=-0.268) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0512 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0137 F(o=-1.4!,f=-0.014) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 89:sc= 0.299 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 140:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 48:sc= 0.539 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.5! C(o=-3.5!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 -9.420 30.603 2.435 1.00 0.00 N ATOM 81 CA PRO A 9 -8.458 29.622 1.926 1.00 0.00 C ATOM 82 C PRO A 9 -8.940 28.945 0.648 1.00 0.00 C ATOM 83 O PRO A 9 -10.055 28.425 0.591 1.00 0.00 O ATOM 84 CB PRO A 9 -8.355 28.603 3.064 1.00 0.00 C ATOM 85 CG PRO A 9 -9.650 28.716 3.792 1.00 0.00 C ATOM 86 CD PRO A 9 -10.061 30.158 3.684 1.00 0.00 C ATOM 0 HA PRO A 9 -7.507 30.084 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.204 27.594 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.512 28.825 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.403 28.062 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.539 28.419 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.145 30.265 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.718 30.739 4.540 1.00 0.00 H new ATOM 94 N VAL A 10 -8.094 28.956 -0.378 1.00 0.00 N ATOM 95 CA VAL A 10 -8.434 28.342 -1.656 1.00 0.00 C ATOM 96 C VAL A 10 -7.553 27.130 -1.935 1.00 0.00 C ATOM 97 O VAL A 10 -6.335 27.254 -2.070 1.00 0.00 O ATOM 98 CB VAL A 10 -8.292 29.345 -2.816 1.00 0.00 C ATOM 99 CG1 VAL A 10 -6.826 29.569 -3.151 1.00 0.00 C ATOM 100 CG2 VAL A 10 -9.059 28.859 -4.036 1.00 0.00 C ATOM 0 H VAL A 10 -7.168 29.383 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.474 28.023 -1.587 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.718 30.299 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.745 30.280 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.309 29.964 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.371 28.623 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.948 29.580 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.665 27.893 -4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.115 28.755 -3.785 1.00 0.00 H new ATOM 110 N ILE A 11 -8.175 25.959 -2.021 1.00 0.00 N ATOM 111 CA ILE A 11 -7.447 24.725 -2.286 1.00 0.00 C ATOM 112 C ILE A 11 -6.901 24.704 -3.710 1.00 0.00 C ATOM 113 O ILE A 11 -7.636 24.449 -4.664 1.00 0.00 O ATOM 114 CB ILE A 11 -8.339 23.488 -2.072 1.00 0.00 C ATOM 115 CG1 ILE A 11 -8.885 23.467 -0.643 1.00 0.00 C ATOM 116 CG2 ILE A 11 -7.558 22.215 -2.366 1.00 0.00 C ATOM 117 CD1 ILE A 11 -10.201 22.734 -0.510 1.00 0.00 C ATOM 0 H ILE A 11 -9.182 25.839 -1.911 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.617 24.691 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.181 23.542 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.150 22.999 0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.013 24.492 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.202 21.349 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.214 22.230 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.699 22.153 -1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.528 22.759 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.951 23.215 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.074 21.698 -0.825 1.00 0.00 H new ATOM 129 N ARG A 12 -5.606 24.973 -3.846 1.00 0.00 N ATOM 130 CA ARG A 12 -4.961 24.984 -5.153 1.00 0.00 C ATOM 131 C ARG A 12 -4.816 23.567 -5.700 1.00 0.00 C ATOM 132 O ARG A 12 -5.272 23.268 -6.804 1.00 0.00 O ATOM 133 CB ARG A 12 -3.587 25.650 -5.062 1.00 0.00 C ATOM 134 CG ARG A 12 -3.642 27.099 -4.606 1.00 0.00 C ATOM 135 CD ARG A 12 -4.261 27.994 -5.668 1.00 0.00 C ATOM 136 NE ARG A 12 -3.311 28.323 -6.727 1.00 0.00 N ATOM 137 CZ ARG A 12 -3.671 28.784 -7.920 1.00 0.00 C ATOM 138 NH1 ARG A 12 -4.953 28.970 -8.203 1.00 0.00 N ATOM 139 NH2 ARG A 12 -2.748 29.062 -8.832 1.00 0.00 N ATOM 0 H ARG A 12 -4.983 25.186 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.590 25.556 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.963 25.084 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.104 25.603 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.222 27.170 -3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.635 27.448 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.129 27.496 -6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.619 28.913 -5.204 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.317 28.192 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.665 28.759 -7.504 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.227 29.324 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.761 28.922 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.026 29.416 -9.747 1.00 0.00 H new ATOM 153 N GLN A 13 -4.179 22.699 -4.921 1.00 0.00 N ATOM 154 CA GLN A 13 -3.973 21.315 -5.328 1.00 0.00 C ATOM 155 C GLN A 13 -4.155 20.367 -4.147 1.00 0.00 C ATOM 156 O GLN A 13 -3.363 20.373 -3.205 1.00 0.00 O ATOM 157 CB GLN A 13 -2.576 21.139 -5.927 1.00 0.00 C ATOM 158 CG GLN A 13 -2.278 19.715 -6.368 1.00 0.00 C ATOM 159 CD GLN A 13 -0.855 19.543 -6.861 1.00 0.00 C ATOM 160 OE1 GLN A 13 -0.061 20.484 -6.842 1.00 0.00 O ATOM 161 NE2 GLN A 13 -0.524 18.337 -7.306 1.00 0.00 N ATOM 0 H GLN A 13 -3.797 22.930 -4.004 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.719 21.071 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.470 21.805 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.833 21.446 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.454 19.036 -5.534 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.970 19.432 -7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.214 17.586 -7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.420 18.162 -7.650 1.00 0.00 H new ATOM 170 N GLY A 14 -5.205 19.553 -4.204 1.00 0.00 N ATOM 171 CA GLY A 14 -5.472 18.611 -3.133 1.00 0.00 C ATOM 172 C GLY A 14 -5.162 17.181 -3.527 1.00 0.00 C ATOM 173 O GLY A 14 -4.464 16.922 -4.508 1.00 0.00 O ATOM 0 H GLY A 14 -5.875 19.529 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.878 18.881 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.520 18.685 -2.841 1.00 0.00 H new ATOM 177 N PRO A 15 -5.687 16.221 -2.751 1.00 0.00 N ATOM 178 CA PRO A 15 -5.474 14.793 -3.004 1.00 0.00 C ATOM 179 C PRO A 15 -6.200 14.312 -4.256 1.00 0.00 C ATOM 180 O PRO A 15 -7.311 14.753 -4.550 1.00 0.00 O ATOM 181 CB PRO A 15 -6.056 14.121 -1.758 1.00 0.00 C ATOM 182 CG PRO A 15 -7.063 15.089 -1.241 1.00 0.00 C ATOM 183 CD PRO A 15 -6.528 16.457 -1.565 1.00 0.00 C ATOM 0 HA PRO A 15 -4.423 14.562 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.516 13.164 -2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.282 13.922 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.034 14.929 -1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.203 14.969 -0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.331 17.163 -1.776 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.950 16.869 -0.738 1.00 0.00 H new ATOM 191 N VAL A 16 -5.564 13.406 -4.992 1.00 0.00 N ATOM 192 CA VAL A 16 -6.150 12.864 -6.212 1.00 0.00 C ATOM 193 C VAL A 16 -6.470 11.381 -6.057 1.00 0.00 C ATOM 194 O VAL A 16 -5.719 10.637 -5.428 1.00 0.00 O ATOM 195 CB VAL A 16 -5.210 13.051 -7.417 1.00 0.00 C ATOM 196 CG1 VAL A 16 -4.868 14.522 -7.604 1.00 0.00 C ATOM 197 CG2 VAL A 16 -3.948 12.220 -7.243 1.00 0.00 C ATOM 0 H VAL A 16 -4.643 13.032 -4.764 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.073 13.415 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.724 12.705 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.203 14.635 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.783 15.089 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.373 14.897 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.296 12.365 -8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.428 12.533 -6.337 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.214 11.166 -7.163 1.00 0.00 H new ATOM 207 N ASN A 17 -7.589 10.959 -6.635 1.00 0.00 N ATOM 208 CA ASN A 17 -8.009 9.565 -6.561 1.00 0.00 C ATOM 209 C ASN A 17 -7.007 8.656 -7.266 1.00 0.00 C ATOM 210 O ASN A 17 -6.844 8.723 -8.484 1.00 0.00 O ATOM 211 CB ASN A 17 -9.396 9.394 -7.186 1.00 0.00 C ATOM 212 CG ASN A 17 -9.538 10.148 -8.494 1.00 0.00 C ATOM 213 OD1 ASN A 17 -10.295 11.238 -8.469 1.00 0.00 O flip ATOM 214 ND2 ASN A 17 -8.972 9.755 -9.514 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.222 11.563 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.053 9.281 -5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.586 8.335 -7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.153 9.744 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.400 8.911 -9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.075 10.273 -10.386 1.00 0.00 H new ATOM 221 N GLN A 18 -6.338 7.809 -6.491 1.00 0.00 N ATOM 222 CA GLN A 18 -5.351 6.887 -7.042 1.00 0.00 C ATOM 223 C GLN A 18 -5.526 5.489 -6.458 1.00 0.00 C ATOM 224 O GLN A 18 -6.039 5.327 -5.351 1.00 0.00 O ATOM 225 CB GLN A 18 -3.935 7.396 -6.763 1.00 0.00 C ATOM 226 CG GLN A 18 -3.574 7.408 -5.286 1.00 0.00 C ATOM 227 CD GLN A 18 -2.301 8.182 -5.004 1.00 0.00 C ATOM 228 OE1 GLN A 18 -1.369 8.183 -5.809 1.00 0.00 O ATOM 229 NE2 GLN A 18 -2.255 8.847 -3.855 1.00 0.00 N ATOM 0 H GLN A 18 -6.461 7.742 -5.481 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.504 6.832 -8.120 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.221 6.770 -7.298 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.836 8.406 -7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.395 7.846 -4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.457 6.382 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.050 8.819 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.424 9.386 -3.611 1.00 0.00 H new ATOM 238 N THR A 19 -5.096 4.481 -7.211 1.00 0.00 N ATOM 239 CA THR A 19 -5.207 3.097 -6.769 1.00 0.00 C ATOM 240 C THR A 19 -3.895 2.604 -6.169 1.00 0.00 C ATOM 241 O THR A 19 -2.814 2.967 -6.633 1.00 0.00 O ATOM 242 CB THR A 19 -5.609 2.167 -7.929 1.00 0.00 C ATOM 243 OG1 THR A 19 -6.790 2.664 -8.569 1.00 0.00 O ATOM 244 CG2 THR A 19 -5.855 0.752 -7.429 1.00 0.00 C ATOM 0 H THR A 19 -4.668 4.598 -8.129 1.00 0.00 H new ATOM 0 HA THR A 19 -5.985 3.071 -6.006 1.00 0.00 H new ATOM 0 HB THR A 19 -4.789 2.144 -8.647 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.038 2.068 -9.306 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.138 0.114 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.946 0.365 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.659 0.761 -6.693 1.00 0.00 H new ATOM 252 N VAL A 20 -3.996 1.774 -5.136 1.00 0.00 N ATOM 253 CA VAL A 20 -2.817 1.230 -4.473 1.00 0.00 C ATOM 254 C VAL A 20 -3.033 -0.225 -4.074 1.00 0.00 C ATOM 255 O VAL A 20 -4.100 -0.593 -3.584 1.00 0.00 O ATOM 256 CB VAL A 20 -2.451 2.046 -3.219 1.00 0.00 C ATOM 257 CG1 VAL A 20 -1.577 1.225 -2.284 1.00 0.00 C ATOM 258 CG2 VAL A 20 -1.756 3.342 -3.611 1.00 0.00 C ATOM 0 H VAL A 20 -4.883 1.463 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.997 1.290 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.370 2.299 -2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.329 1.818 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.115 0.328 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.660 0.940 -2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.505 3.906 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.844 3.113 -4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.421 3.936 -4.238 1.00 0.00 H new ATOM 268 N ALA A 21 -2.012 -1.049 -4.287 1.00 0.00 N ATOM 269 CA ALA A 21 -2.089 -2.464 -3.947 1.00 0.00 C ATOM 270 C ALA A 21 -2.082 -2.667 -2.436 1.00 0.00 C ATOM 271 O ALA A 21 -1.534 -1.853 -1.693 1.00 0.00 O ATOM 272 CB ALA A 21 -0.938 -3.225 -4.590 1.00 0.00 C ATOM 0 H ALA A 21 -1.122 -0.761 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.030 -2.855 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.008 -4.281 -4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.990 -3.116 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.009 -2.824 -4.230 1.00 0.00 H new ATOM 278 N VAL A 22 -2.694 -3.759 -1.987 1.00 0.00 N ATOM 279 CA VAL A 22 -2.757 -4.069 -0.564 1.00 0.00 C ATOM 280 C VAL A 22 -1.415 -3.815 0.114 1.00 0.00 C ATOM 281 O VAL A 22 -0.362 -3.904 -0.517 1.00 0.00 O ATOM 282 CB VAL A 22 -3.171 -5.533 -0.326 1.00 0.00 C ATOM 283 CG1 VAL A 22 -2.730 -5.995 1.054 1.00 0.00 C ATOM 284 CG2 VAL A 22 -4.673 -5.696 -0.498 1.00 0.00 C ATOM 0 H VAL A 22 -3.153 -4.443 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.510 -3.411 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.674 -6.158 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.031 -7.032 1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.646 -5.917 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.196 -5.368 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.948 -6.737 -0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.192 -5.060 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.957 -5.408 -1.510 1.00 0.00 H new ATOM 294 N ASP A 23 -1.461 -3.498 1.404 1.00 0.00 N ATOM 295 CA ASP A 23 -0.249 -3.233 2.169 1.00 0.00 C ATOM 296 C ASP A 23 0.716 -2.360 1.373 1.00 0.00 C ATOM 297 O ASP A 23 1.927 -2.399 1.588 1.00 0.00 O ATOM 298 CB ASP A 23 0.433 -4.546 2.557 1.00 0.00 C ATOM 299 CG ASP A 23 -0.138 -5.141 3.829 1.00 0.00 C ATOM 300 OD1 ASP A 23 -1.344 -5.462 3.843 1.00 0.00 O ATOM 301 OD2 ASP A 23 0.622 -5.286 4.810 1.00 0.00 O ATOM 0 H ASP A 23 -2.325 -3.419 1.941 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.531 -2.698 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.324 -5.263 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.501 -4.372 2.688 1.00 0.00 H new ATOM 306 N GLY A 24 0.171 -1.572 0.451 1.00 0.00 N ATOM 307 CA GLY A 24 0.998 -0.702 -0.364 1.00 0.00 C ATOM 308 C GLY A 24 1.437 0.544 0.379 1.00 0.00 C ATOM 309 O GLY A 24 1.821 0.476 1.548 1.00 0.00 O ATOM 0 H GLY A 24 -0.829 -1.521 0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.878 -1.251 -0.698 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.445 -0.412 -1.257 1.00 0.00 H new ATOM 313 N THR A 25 1.384 1.686 -0.299 1.00 0.00 N ATOM 314 CA THR A 25 1.782 2.952 0.303 1.00 0.00 C ATOM 315 C THR A 25 1.268 4.134 -0.511 1.00 0.00 C ATOM 316 O THR A 25 1.540 4.241 -1.707 1.00 0.00 O ATOM 317 CB THR A 25 3.314 3.057 0.429 1.00 0.00 C ATOM 318 OG1 THR A 25 3.842 1.854 0.998 1.00 0.00 O ATOM 319 CG2 THR A 25 3.705 4.247 1.293 1.00 0.00 C ATOM 0 H THR A 25 1.069 1.760 -1.266 1.00 0.00 H new ATOM 0 HA THR A 25 1.340 2.981 1.299 1.00 0.00 H new ATOM 0 HB THR A 25 3.730 3.200 -0.568 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.166 1.441 1.575 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.791 4.301 1.368 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.326 5.164 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.278 4.129 2.289 1.00 0.00 H new ATOM 327 N PHE A 26 0.525 5.020 0.144 1.00 0.00 N ATOM 328 CA PHE A 26 -0.027 6.195 -0.520 1.00 0.00 C ATOM 329 C PHE A 26 0.071 7.424 0.380 1.00 0.00 C ATOM 330 O PHE A 26 -0.182 7.348 1.582 1.00 0.00 O ATOM 331 CB PHE A 26 -1.486 5.948 -0.909 1.00 0.00 C ATOM 332 CG PHE A 26 -2.381 5.672 0.265 1.00 0.00 C ATOM 333 CD1 PHE A 26 -2.209 4.531 1.031 1.00 0.00 C ATOM 334 CD2 PHE A 26 -3.395 6.555 0.603 1.00 0.00 C ATOM 335 CE1 PHE A 26 -3.032 4.274 2.111 1.00 0.00 C ATOM 336 CE2 PHE A 26 -4.221 6.304 1.682 1.00 0.00 C ATOM 337 CZ PHE A 26 -4.038 5.162 2.438 1.00 0.00 C ATOM 0 H PHE A 26 0.291 4.947 1.134 1.00 0.00 H new ATOM 0 HA PHE A 26 0.556 6.380 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.863 6.818 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.532 5.104 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.423 3.834 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.541 7.450 0.016 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.889 3.379 2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.008 6.999 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.681 4.964 3.283 1.00 0.00 H new ATOM 347 N VAL A 27 0.440 8.555 -0.212 1.00 0.00 N ATOM 348 CA VAL A 27 0.571 9.801 0.534 1.00 0.00 C ATOM 349 C VAL A 27 -0.408 10.853 0.023 1.00 0.00 C ATOM 350 O VAL A 27 -0.383 11.221 -1.152 1.00 0.00 O ATOM 351 CB VAL A 27 2.003 10.361 0.444 1.00 0.00 C ATOM 352 CG1 VAL A 27 2.108 11.680 1.195 1.00 0.00 C ATOM 353 CG2 VAL A 27 3.004 9.350 0.982 1.00 0.00 C ATOM 0 H VAL A 27 0.654 8.634 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 27 0.343 9.572 1.575 1.00 0.00 H new ATOM 0 HB VAL A 27 2.237 10.548 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.127 12.061 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.418 12.403 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.855 11.523 2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.011 9.762 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.775 9.130 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.945 8.433 0.396 1.00 0.00 H new ATOM 363 N LEU A 28 -1.269 11.333 0.913 1.00 0.00 N ATOM 364 CA LEU A 28 -2.257 12.345 0.553 1.00 0.00 C ATOM 365 C LEU A 28 -1.880 13.704 1.133 1.00 0.00 C ATOM 366 O LEU A 28 -1.706 13.847 2.343 1.00 0.00 O ATOM 367 CB LEU A 28 -3.643 11.931 1.050 1.00 0.00 C ATOM 368 CG LEU A 28 -4.126 10.546 0.616 1.00 0.00 C ATOM 369 CD1 LEU A 28 -5.096 9.975 1.639 1.00 0.00 C ATOM 370 CD2 LEU A 28 -4.775 10.614 -0.758 1.00 0.00 C ATOM 0 H LEU A 28 -1.303 11.038 1.889 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.278 12.428 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.643 11.969 2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.366 12.670 0.706 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.263 9.883 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.429 8.989 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.598 9.889 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.957 10.637 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.113 9.620 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.628 11.292 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.050 10.980 -1.485 1.00 0.00 H new ATOM 382 N SER A 29 -1.759 14.701 0.262 1.00 0.00 N ATOM 383 CA SER A 29 -1.403 16.049 0.688 1.00 0.00 C ATOM 384 C SER A 29 -2.392 17.072 0.138 1.00 0.00 C ATOM 385 O SER A 29 -2.686 17.088 -1.058 1.00 0.00 O ATOM 386 CB SER A 29 0.015 16.394 0.226 1.00 0.00 C ATOM 387 OG SER A 29 0.304 17.763 0.449 1.00 0.00 O ATOM 0 H SER A 29 -1.902 14.600 -0.743 1.00 0.00 H new ATOM 0 HA SER A 29 -1.442 16.082 1.777 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.736 15.775 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.122 16.164 -0.834 1.00 0.00 H new ATOM 0 HG SER A 29 -0.000 18.020 1.344 1.00 0.00 H new ATOM 393 N CYS A 30 -2.903 17.925 1.020 1.00 0.00 N ATOM 394 CA CYS A 30 -3.859 18.952 0.626 1.00 0.00 C ATOM 395 C CYS A 30 -3.242 20.343 0.738 1.00 0.00 C ATOM 396 O CYS A 30 -2.867 20.781 1.826 1.00 0.00 O ATOM 397 CB CYS A 30 -5.116 18.868 1.494 1.00 0.00 C ATOM 398 SG CYS A 30 -6.425 20.044 1.023 1.00 0.00 S ATOM 0 H CYS A 30 -2.670 17.925 2.013 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.132 18.778 -0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.515 17.855 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.839 19.046 2.533 1.00 0.00 H new ATOM 403 N VAL A 31 -3.139 21.032 -0.394 1.00 0.00 N ATOM 404 CA VAL A 31 -2.569 22.374 -0.423 1.00 0.00 C ATOM 405 C VAL A 31 -3.661 23.436 -0.363 1.00 0.00 C ATOM 406 O VAL A 31 -4.527 23.500 -1.235 1.00 0.00 O ATOM 407 CB VAL A 31 -1.720 22.595 -1.689 1.00 0.00 C ATOM 408 CG1 VAL A 31 -1.169 24.013 -1.720 1.00 0.00 C ATOM 409 CG2 VAL A 31 -0.595 21.575 -1.760 1.00 0.00 C ATOM 0 H VAL A 31 -3.443 20.683 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.929 22.466 0.455 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.358 22.459 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.572 24.152 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.995 24.724 -1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.545 24.180 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.005 21.746 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.044 21.677 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.016 20.570 -1.787 1.00 0.00 H new ATOM 419 N ALA A 32 -3.612 24.270 0.670 1.00 0.00 N ATOM 420 CA ALA A 32 -4.595 25.332 0.842 1.00 0.00 C ATOM 421 C ALA A 32 -3.956 26.579 1.445 1.00 0.00 C ATOM 422 O ALA A 32 -3.259 26.505 2.457 1.00 0.00 O ATOM 423 CB ALA A 32 -5.744 24.851 1.715 1.00 0.00 C ATOM 0 H ALA A 32 -2.902 24.231 1.401 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.985 25.595 -0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.471 25.654 1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.225 23.994 1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.361 24.559 2.693 1.00 0.00 H new ATOM 429 N THR A 33 -4.198 27.725 0.816 1.00 0.00 N ATOM 430 CA THR A 33 -3.646 28.988 1.290 1.00 0.00 C ATOM 431 C THR A 33 -4.437 29.524 2.477 1.00 0.00 C ATOM 432 O THR A 33 -5.543 29.063 2.758 1.00 0.00 O ATOM 433 CB THR A 33 -3.634 30.050 0.173 1.00 0.00 C ATOM 434 OG1 THR A 33 -4.936 30.630 0.035 1.00 0.00 O ATOM 435 CG2 THR A 33 -3.203 29.438 -1.151 1.00 0.00 C ATOM 0 H THR A 33 -4.773 27.804 -0.023 1.00 0.00 H new ATOM 0 HA THR A 33 -2.621 28.787 1.602 1.00 0.00 H new ATOM 0 HB THR A 33 -2.918 30.825 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.920 31.305 -0.675 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.202 30.207 -1.924 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.200 29.023 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.897 28.645 -1.429 1.00 0.00 H new ATOM 443 N GLY A 34 -3.863 30.502 3.172 1.00 0.00 N ATOM 444 CA GLY A 34 -4.530 31.086 4.321 1.00 0.00 C ATOM 445 C GLY A 34 -3.555 31.537 5.390 1.00 0.00 C ATOM 446 O GLY A 34 -2.491 30.942 5.561 1.00 0.00 O ATOM 0 H GLY A 34 -2.948 30.900 2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.128 31.938 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.219 30.357 4.747 1.00 0.00 H new ATOM 450 N SER A 35 -3.917 32.594 6.111 1.00 0.00 N ATOM 451 CA SER A 35 -3.063 33.129 7.165 1.00 0.00 C ATOM 452 C SER A 35 -3.873 33.419 8.425 1.00 0.00 C ATOM 453 O SER A 35 -4.850 34.168 8.407 1.00 0.00 O ATOM 454 CB SER A 35 -2.366 34.404 6.688 1.00 0.00 C ATOM 455 OG SER A 35 -1.694 35.048 7.757 1.00 0.00 O ATOM 0 H SER A 35 -4.796 33.096 5.984 1.00 0.00 H new ATOM 0 HA SER A 35 -2.309 32.379 7.403 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.653 34.160 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.100 35.083 6.254 1.00 0.00 H new ATOM 0 HG SER A 35 -1.255 35.859 7.426 1.00 0.00 H new ATOM 461 N PRO A 36 -3.458 32.812 9.547 1.00 0.00 N ATOM 462 CA PRO A 36 -2.297 31.918 9.580 1.00 0.00 C ATOM 463 C PRO A 36 -2.555 30.605 8.848 1.00 0.00 C ATOM 464 O PRO A 36 -3.685 30.312 8.457 1.00 0.00 O ATOM 465 CB PRO A 36 -2.087 31.664 11.075 1.00 0.00 C ATOM 466 CG PRO A 36 -3.429 31.877 11.687 1.00 0.00 C ATOM 467 CD PRO A 36 -4.092 32.951 10.869 1.00 0.00 C ATOM 0 HA PRO A 36 -1.432 32.356 9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.724 30.652 11.258 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.348 32.348 11.493 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.015 30.958 11.672 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.338 32.181 12.730 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.171 32.806 10.815 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.924 33.941 11.293 1.00 0.00 H new ATOM 475 N VAL A 37 -1.500 29.817 8.666 1.00 0.00 N ATOM 476 CA VAL A 37 -1.613 28.534 7.983 1.00 0.00 C ATOM 477 C VAL A 37 -2.820 27.749 8.483 1.00 0.00 C ATOM 478 O VAL A 37 -2.998 27.532 9.682 1.00 0.00 O ATOM 479 CB VAL A 37 -0.344 27.682 8.176 1.00 0.00 C ATOM 480 CG1 VAL A 37 -0.133 27.365 9.648 1.00 0.00 C ATOM 481 CG2 VAL A 37 -0.431 26.405 7.354 1.00 0.00 C ATOM 0 H VAL A 37 -0.557 30.045 8.982 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.739 28.750 6.922 1.00 0.00 H new ATOM 0 HB VAL A 37 0.515 28.255 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.768 26.763 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.024 28.294 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.992 26.811 10.028 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.473 25.815 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.298 25.826 7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.531 26.658 6.298 1.00 0.00 H new ATOM 491 N PRO A 38 -3.672 27.311 7.544 1.00 0.00 N ATOM 492 CA PRO A 38 -4.877 26.541 7.865 1.00 0.00 C ATOM 493 C PRO A 38 -4.553 25.138 8.366 1.00 0.00 C ATOM 494 O PRO A 38 -3.504 24.579 8.044 1.00 0.00 O ATOM 495 CB PRO A 38 -5.622 26.474 6.530 1.00 0.00 C ATOM 496 CG PRO A 38 -4.560 26.623 5.496 1.00 0.00 C ATOM 497 CD PRO A 38 -3.523 27.532 6.096 1.00 0.00 C ATOM 0 HA PRO A 38 -5.453 27.002 8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.152 25.528 6.420 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.365 27.267 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.129 25.656 5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.966 27.047 4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.520 27.279 5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.699 28.574 5.828 1.00 0.00 H new ATOM 505 N THR A 39 -5.461 24.571 9.154 1.00 0.00 N ATOM 506 CA THR A 39 -5.271 23.233 9.700 1.00 0.00 C ATOM 507 C THR A 39 -5.805 22.170 8.746 1.00 0.00 C ATOM 508 O THR A 39 -6.981 22.184 8.382 1.00 0.00 O ATOM 509 CB THR A 39 -5.968 23.079 11.065 1.00 0.00 C ATOM 510 OG1 THR A 39 -5.596 24.157 11.930 1.00 0.00 O ATOM 511 CG2 THR A 39 -5.600 21.752 11.713 1.00 0.00 C ATOM 0 H THR A 39 -6.336 25.018 9.428 1.00 0.00 H new ATOM 0 HA THR A 39 -4.198 23.094 9.831 1.00 0.00 H new ATOM 0 HB THR A 39 -7.046 23.100 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.045 24.052 12.795 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.104 21.665 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.911 20.932 11.065 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.521 21.707 11.863 1.00 0.00 H new ATOM 519 N ILE A 40 -4.934 21.250 8.346 1.00 0.00 N ATOM 520 CA ILE A 40 -5.319 20.178 7.436 1.00 0.00 C ATOM 521 C ILE A 40 -5.794 18.949 8.204 1.00 0.00 C ATOM 522 O ILE A 40 -5.119 18.476 9.120 1.00 0.00 O ATOM 523 CB ILE A 40 -4.153 19.775 6.515 1.00 0.00 C ATOM 524 CG1 ILE A 40 -3.745 20.952 5.627 1.00 0.00 C ATOM 525 CG2 ILE A 40 -4.539 18.573 5.666 1.00 0.00 C ATOM 526 CD1 ILE A 40 -4.918 21.655 4.979 1.00 0.00 C ATOM 0 H ILE A 40 -3.957 21.225 8.638 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.137 20.561 6.826 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.300 19.499 7.134 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.186 21.671 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.072 20.593 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.704 18.300 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.785 17.733 6.315 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.405 18.823 5.053 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.554 22.478 4.364 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.465 20.949 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.581 22.044 5.752 1.00 0.00 H new ATOM 538 N LEU A 41 -6.959 18.435 7.825 1.00 0.00 N ATOM 539 CA LEU A 41 -7.525 17.259 8.476 1.00 0.00 C ATOM 540 C LEU A 41 -7.794 16.152 7.462 1.00 0.00 C ATOM 541 O LEU A 41 -7.586 16.332 6.262 1.00 0.00 O ATOM 542 CB LEU A 41 -8.819 17.627 9.203 1.00 0.00 C ATOM 543 CG LEU A 41 -8.659 18.426 10.497 1.00 0.00 C ATOM 544 CD1 LEU A 41 -7.855 17.635 11.517 1.00 0.00 C ATOM 545 CD2 LEU A 41 -7.996 19.767 10.216 1.00 0.00 C ATOM 0 H LEU A 41 -7.530 18.814 7.070 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.800 16.892 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.445 18.201 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.358 16.707 9.432 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.650 18.612 10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.752 18.220 12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.370 16.700 11.740 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.867 17.417 11.112 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.890 20.323 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.012 19.602 9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.611 20.338 9.521 1.00 0.00 H new ATOM 557 N TRP A 42 -8.260 15.009 7.952 1.00 0.00 N ATOM 558 CA TRP A 42 -8.561 13.873 7.088 1.00 0.00 C ATOM 559 C TRP A 42 -9.791 13.122 7.585 1.00 0.00 C ATOM 560 O TRP A 42 -9.957 12.911 8.786 1.00 0.00 O ATOM 561 CB TRP A 42 -7.362 12.926 7.020 1.00 0.00 C ATOM 562 CG TRP A 42 -6.159 13.537 6.368 1.00 0.00 C ATOM 563 CD1 TRP A 42 -5.022 13.971 6.989 1.00 0.00 C ATOM 564 CD2 TRP A 42 -5.973 13.782 4.970 1.00 0.00 C ATOM 565 NE1 TRP A 42 -4.142 14.472 6.061 1.00 0.00 N ATOM 566 CE2 TRP A 42 -4.701 14.367 4.815 1.00 0.00 C ATOM 567 CE3 TRP A 42 -6.757 13.564 3.834 1.00 0.00 C ATOM 568 CZ2 TRP A 42 -4.198 14.735 3.570 1.00 0.00 C ATOM 569 CZ3 TRP A 42 -6.257 13.930 2.599 1.00 0.00 C ATOM 570 CH2 TRP A 42 -4.987 14.510 2.474 1.00 0.00 C ATOM 0 H TRP A 42 -8.438 14.844 8.943 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.771 14.254 6.089 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.099 12.612 8.030 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.647 12.029 6.471 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.842 13.927 8.053 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -3.221 14.860 6.267 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.737 13.117 3.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.220 15.182 3.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.855 13.766 1.715 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.624 14.785 1.495 1.00 0.00 H new ATOM 581 N ARG A 43 -10.650 12.720 6.653 1.00 0.00 N ATOM 582 CA ARG A 43 -11.866 11.992 6.998 1.00 0.00 C ATOM 583 C ARG A 43 -12.114 10.852 6.015 1.00 0.00 C ATOM 584 O ARG A 43 -12.169 11.063 4.803 1.00 0.00 O ATOM 585 CB ARG A 43 -13.066 12.940 7.011 1.00 0.00 C ATOM 586 CG ARG A 43 -13.073 13.899 8.190 1.00 0.00 C ATOM 587 CD ARG A 43 -14.384 14.665 8.278 1.00 0.00 C ATOM 588 NE ARG A 43 -14.427 15.785 7.342 1.00 0.00 N ATOM 589 CZ ARG A 43 -15.549 16.392 6.973 1.00 0.00 C ATOM 590 NH1 ARG A 43 -16.715 15.988 7.458 1.00 0.00 N ATOM 591 NH2 ARG A 43 -15.507 17.405 6.117 1.00 0.00 N ATOM 0 H ARG A 43 -10.526 12.886 5.654 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.736 11.568 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.073 13.516 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -13.983 12.351 7.027 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.913 13.343 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.246 14.602 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.214 13.989 8.072 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -14.520 15.036 9.294 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.547 16.120 6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.751 15.209 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.575 16.456 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.612 17.719 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.370 17.870 5.835 1.00 0.00 H new ATOM 605 N LYS A 44 -12.263 9.643 6.545 1.00 0.00 N ATOM 606 CA LYS A 44 -12.507 8.469 5.716 1.00 0.00 C ATOM 607 C LYS A 44 -13.910 7.918 5.950 1.00 0.00 C ATOM 608 O LYS A 44 -14.298 7.645 7.086 1.00 0.00 O ATOM 609 CB LYS A 44 -11.467 7.386 6.011 1.00 0.00 C ATOM 610 CG LYS A 44 -11.663 6.704 7.355 1.00 0.00 C ATOM 611 CD LYS A 44 -10.425 5.930 7.773 1.00 0.00 C ATOM 612 CE LYS A 44 -10.408 4.535 7.166 1.00 0.00 C ATOM 613 NZ LYS A 44 -11.451 3.657 7.765 1.00 0.00 N ATOM 0 H LYS A 44 -12.219 9.450 7.546 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.424 8.770 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.504 6.634 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.472 7.831 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.899 7.452 8.112 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.515 6.027 7.299 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.533 6.474 7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.391 5.855 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.567 4.605 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.426 4.086 7.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.215 2.661 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.492 3.818 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.375 3.878 7.342 1.00 0.00 H new ATOM 627 N ASP A 45 -14.665 7.757 4.870 1.00 0.00 N ATOM 628 CA ASP A 45 -16.025 7.236 4.958 1.00 0.00 C ATOM 629 C ASP A 45 -16.806 7.942 6.062 1.00 0.00 C ATOM 630 O ASP A 45 -17.467 7.299 6.877 1.00 0.00 O ATOM 631 CB ASP A 45 -16.001 5.729 5.216 1.00 0.00 C ATOM 632 CG ASP A 45 -15.627 4.936 3.980 1.00 0.00 C ATOM 633 OD1 ASP A 45 -14.886 5.474 3.130 1.00 0.00 O ATOM 634 OD2 ASP A 45 -16.075 3.776 3.862 1.00 0.00 O ATOM 0 H ASP A 45 -14.359 7.980 3.923 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.523 7.425 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.290 5.511 6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.982 5.408 5.567 1.00 0.00 H new ATOM 639 N GLY A 46 -16.725 9.269 6.083 1.00 0.00 N ATOM 640 CA GLY A 46 -17.428 10.040 7.091 1.00 0.00 C ATOM 641 C GLY A 46 -16.942 9.737 8.495 1.00 0.00 C ATOM 642 O GLY A 46 -17.728 9.726 9.443 1.00 0.00 O ATOM 0 H GLY A 46 -16.185 9.824 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.299 11.103 6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.496 9.830 7.026 1.00 0.00 H new ATOM 646 N VAL A 47 -15.643 9.490 8.629 1.00 0.00 N ATOM 647 CA VAL A 47 -15.053 9.186 9.928 1.00 0.00 C ATOM 648 C VAL A 47 -13.709 9.884 10.098 1.00 0.00 C ATOM 649 O VAL A 47 -12.916 9.966 9.159 1.00 0.00 O ATOM 650 CB VAL A 47 -14.859 7.669 10.114 1.00 0.00 C ATOM 651 CG1 VAL A 47 -14.191 7.376 11.449 1.00 0.00 C ATOM 652 CG2 VAL A 47 -16.191 6.944 10.004 1.00 0.00 C ATOM 0 H VAL A 47 -14.979 9.494 7.855 1.00 0.00 H new ATOM 0 HA VAL A 47 -15.747 9.552 10.685 1.00 0.00 H new ATOM 0 HB VAL A 47 -14.207 7.304 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.062 6.300 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.217 7.864 11.483 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -14.815 7.754 12.259 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -16.035 5.874 10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -16.870 7.311 10.774 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -16.625 7.127 9.021 1.00 0.00 H new ATOM 662 N LEU A 48 -13.458 10.386 11.302 1.00 0.00 N ATOM 663 CA LEU A 48 -12.208 11.078 11.597 1.00 0.00 C ATOM 664 C LEU A 48 -11.014 10.144 11.424 1.00 0.00 C ATOM 665 O LEU A 48 -10.835 9.200 12.194 1.00 0.00 O ATOM 666 CB LEU A 48 -12.233 11.634 13.022 1.00 0.00 C ATOM 667 CG LEU A 48 -12.791 13.049 13.181 1.00 0.00 C ATOM 668 CD1 LEU A 48 -11.952 14.045 12.396 1.00 0.00 C ATOM 669 CD2 LEU A 48 -14.244 13.103 12.732 1.00 0.00 C ATOM 0 H LEU A 48 -14.103 10.327 12.090 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.105 11.904 10.893 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.823 10.960 13.643 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.216 11.620 13.414 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.747 13.320 14.236 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.364 15.046 12.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.926 14.026 12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.963 13.777 11.339 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.625 14.117 12.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.312 12.812 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.838 12.419 13.338 1.00 0.00 H new ATOM 681 N VAL A 49 -10.199 10.415 10.410 1.00 0.00 N ATOM 682 CA VAL A 49 -9.021 9.601 10.138 1.00 0.00 C ATOM 683 C VAL A 49 -8.399 9.085 11.431 1.00 0.00 C ATOM 684 O VAL A 49 -8.361 9.791 12.439 1.00 0.00 O ATOM 685 CB VAL A 49 -7.959 10.394 9.352 1.00 0.00 C ATOM 686 CG1 VAL A 49 -7.496 11.602 10.151 1.00 0.00 C ATOM 687 CG2 VAL A 49 -6.783 9.499 8.994 1.00 0.00 C ATOM 0 H VAL A 49 -10.333 11.192 9.763 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.353 8.756 9.535 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.409 10.751 8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.746 12.150 9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.347 12.253 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.063 11.270 11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.043 10.075 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.331 9.110 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -7.131 8.669 8.379 1.00 0.00 H new ATOM 697 N SER A 50 -7.913 7.848 11.395 1.00 0.00 N ATOM 698 CA SER A 50 -7.295 7.235 12.566 1.00 0.00 C ATOM 699 C SER A 50 -5.815 7.597 12.651 1.00 0.00 C ATOM 700 O SER A 50 -4.982 7.024 11.949 1.00 0.00 O ATOM 701 CB SER A 50 -7.458 5.715 12.517 1.00 0.00 C ATOM 702 OG SER A 50 -7.337 5.231 11.191 1.00 0.00 O ATOM 0 H SER A 50 -7.935 7.251 10.568 1.00 0.00 H new ATOM 0 HA SER A 50 -7.797 7.619 13.454 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.705 5.245 13.149 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.431 5.437 12.921 1.00 0.00 H new ATOM 0 HG SER A 50 -7.443 4.257 11.187 1.00 0.00 H new ATOM 708 N THR A 51 -5.496 8.554 13.517 1.00 0.00 N ATOM 709 CA THR A 51 -4.118 8.995 13.695 1.00 0.00 C ATOM 710 C THR A 51 -3.531 8.452 14.993 1.00 0.00 C ATOM 711 O THR A 51 -2.778 9.143 15.680 1.00 0.00 O ATOM 712 CB THR A 51 -4.016 10.532 13.702 1.00 0.00 C ATOM 713 OG1 THR A 51 -5.165 11.096 14.344 1.00 0.00 O ATOM 714 CG2 THR A 51 -3.904 11.073 12.284 1.00 0.00 C ATOM 0 H THR A 51 -6.173 9.038 14.106 1.00 0.00 H new ATOM 0 HA THR A 51 -3.550 8.605 12.851 1.00 0.00 H new ATOM 0 HB THR A 51 -3.118 10.813 14.253 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.092 12.073 14.346 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.833 12.160 12.314 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.013 10.664 11.808 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.786 10.782 11.713 1.00 0.00 H new ATOM 722 N GLN A 52 -3.879 7.213 15.322 1.00 0.00 N ATOM 723 CA GLN A 52 -3.385 6.578 16.539 1.00 0.00 C ATOM 724 C GLN A 52 -2.429 5.437 16.208 1.00 0.00 C ATOM 725 O GLN A 52 -1.417 5.246 16.884 1.00 0.00 O ATOM 726 CB GLN A 52 -4.553 6.054 17.376 1.00 0.00 C ATOM 727 CG GLN A 52 -5.404 5.022 16.654 1.00 0.00 C ATOM 728 CD GLN A 52 -6.592 4.566 17.478 1.00 0.00 C ATOM 729 OE1 GLN A 52 -6.724 4.924 18.649 1.00 0.00 O ATOM 730 NE2 GLN A 52 -7.465 3.771 16.870 1.00 0.00 N ATOM 0 H GLN A 52 -4.501 6.628 14.764 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.842 7.327 17.115 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.163 5.613 18.293 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.184 6.893 17.669 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.759 5.443 15.714 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.787 4.159 16.404 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.316 3.499 15.898 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.284 3.432 17.375 1.00 0.00 H new ATOM 739 N ASP A 53 -2.755 4.682 15.165 1.00 0.00 N ATOM 740 CA ASP A 53 -1.925 3.559 14.744 1.00 0.00 C ATOM 741 C ASP A 53 -0.652 4.051 14.063 1.00 0.00 C ATOM 742 O ASP A 53 -0.652 5.087 13.397 1.00 0.00 O ATOM 743 CB ASP A 53 -2.705 2.647 13.798 1.00 0.00 C ATOM 744 CG ASP A 53 -2.136 1.242 13.747 1.00 0.00 C ATOM 745 OD1 ASP A 53 -2.524 0.414 14.597 1.00 0.00 O ATOM 746 OD2 ASP A 53 -1.302 0.972 12.858 1.00 0.00 O ATOM 0 H ASP A 53 -3.588 4.827 14.595 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.645 2.992 15.632 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.746 2.603 14.117 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.697 3.076 12.796 1.00 0.00 H new ATOM 751 N SER A 54 0.433 3.302 14.234 1.00 0.00 N ATOM 752 CA SER A 54 1.714 3.664 13.640 1.00 0.00 C ATOM 753 C SER A 54 1.586 3.820 12.127 1.00 0.00 C ATOM 754 O SER A 54 2.188 4.714 11.531 1.00 0.00 O ATOM 755 CB SER A 54 2.770 2.607 13.967 1.00 0.00 C ATOM 756 OG SER A 54 3.156 2.677 15.329 1.00 0.00 O ATOM 0 H SER A 54 0.450 2.440 14.779 1.00 0.00 H new ATOM 0 HA SER A 54 2.025 4.620 14.062 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.376 1.615 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.643 2.751 13.330 1.00 0.00 H new ATOM 0 HG SER A 54 3.830 1.990 15.514 1.00 0.00 H new ATOM 762 N ARG A 55 0.798 2.944 11.513 1.00 0.00 N ATOM 763 CA ARG A 55 0.592 2.982 10.070 1.00 0.00 C ATOM 764 C ARG A 55 0.277 4.400 9.604 1.00 0.00 C ATOM 765 O ARG A 55 0.840 4.879 8.618 1.00 0.00 O ATOM 766 CB ARG A 55 -0.545 2.039 9.671 1.00 0.00 C ATOM 767 CG ARG A 55 -0.232 0.571 9.916 1.00 0.00 C ATOM 768 CD ARG A 55 -1.419 -0.315 9.574 1.00 0.00 C ATOM 769 NE ARG A 55 -2.426 -0.315 10.632 1.00 0.00 N ATOM 770 CZ ARG A 55 -3.419 0.564 10.701 1.00 0.00 C ATOM 771 NH1 ARG A 55 -3.538 1.509 9.778 1.00 0.00 N ATOM 772 NH2 ARG A 55 -4.296 0.499 11.695 1.00 0.00 N ATOM 0 H ARG A 55 0.292 2.199 11.992 1.00 0.00 H new ATOM 0 HA ARG A 55 1.513 2.655 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.442 2.309 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.771 2.182 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.629 0.276 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.043 0.426 10.961 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.871 0.028 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.073 -1.334 9.403 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.363 -1.029 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.866 1.562 9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.302 2.183 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -4.208 -0.226 12.407 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.058 1.175 11.747 1.00 0.00 H new ATOM 786 N ILE A 56 -0.625 5.066 10.317 1.00 0.00 N ATOM 787 CA ILE A 56 -1.013 6.429 9.976 1.00 0.00 C ATOM 788 C ILE A 56 -0.342 7.439 10.900 1.00 0.00 C ATOM 789 O ILE A 56 -0.673 7.531 12.083 1.00 0.00 O ATOM 790 CB ILE A 56 -2.540 6.615 10.053 1.00 0.00 C ATOM 791 CG1 ILE A 56 -3.238 5.704 9.041 1.00 0.00 C ATOM 792 CG2 ILE A 56 -2.910 8.070 9.807 1.00 0.00 C ATOM 793 CD1 ILE A 56 -3.590 4.342 9.596 1.00 0.00 C ATOM 0 H ILE A 56 -1.101 4.684 11.134 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.685 6.604 8.951 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.875 6.340 11.053 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.148 6.192 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.592 5.577 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.992 8.185 9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.438 8.698 10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.565 8.371 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.082 3.750 8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.681 3.834 9.918 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.262 4.458 10.447 1.00 0.00 H new ATOM 805 N LYS A 57 0.601 8.198 10.353 1.00 0.00 N ATOM 806 CA LYS A 57 1.318 9.205 11.126 1.00 0.00 C ATOM 807 C LYS A 57 1.585 10.449 10.284 1.00 0.00 C ATOM 808 O LYS A 57 2.085 10.354 9.163 1.00 0.00 O ATOM 809 CB LYS A 57 2.639 8.634 11.645 1.00 0.00 C ATOM 810 CG LYS A 57 3.532 9.671 12.305 1.00 0.00 C ATOM 811 CD LYS A 57 4.819 9.050 12.822 1.00 0.00 C ATOM 812 CE LYS A 57 5.737 8.639 11.681 1.00 0.00 C ATOM 813 NZ LYS A 57 7.031 8.095 12.179 1.00 0.00 N ATOM 0 H LYS A 57 0.887 8.135 9.376 1.00 0.00 H new ATOM 0 HA LYS A 57 0.694 9.489 11.974 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.426 7.841 12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.179 8.177 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.769 10.458 11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.997 10.141 13.130 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.334 9.762 13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.584 8.179 13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.240 7.888 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.927 9.500 11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.629 7.826 11.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.518 8.820 12.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.851 7.258 12.770 1.00 0.00 H new ATOM 827 N GLN A 58 1.250 11.613 10.832 1.00 0.00 N ATOM 828 CA GLN A 58 1.456 12.874 10.131 1.00 0.00 C ATOM 829 C GLN A 58 2.943 13.173 9.973 1.00 0.00 C ATOM 830 O GLN A 58 3.742 12.891 10.867 1.00 0.00 O ATOM 831 CB GLN A 58 0.770 14.017 10.881 1.00 0.00 C ATOM 832 CG GLN A 58 -0.670 14.249 10.453 1.00 0.00 C ATOM 833 CD GLN A 58 -1.205 15.592 10.909 1.00 0.00 C ATOM 834 OE1 GLN A 58 -1.387 15.828 12.103 1.00 0.00 O ATOM 835 NE2 GLN A 58 -1.459 16.482 9.956 1.00 0.00 N ATOM 0 H GLN A 58 0.835 11.708 11.759 1.00 0.00 H new ATOM 0 HA GLN A 58 1.015 12.785 9.138 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.793 13.804 11.950 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.338 14.934 10.727 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.737 14.185 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.298 13.455 10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.293 16.244 8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.820 17.404 10.202 1.00 0.00 H new ATOM 844 N LEU A 59 3.308 13.745 8.831 1.00 0.00 N ATOM 845 CA LEU A 59 4.700 14.083 8.555 1.00 0.00 C ATOM 846 C LEU A 59 4.882 15.593 8.441 1.00 0.00 C ATOM 847 O LEU A 59 5.583 16.205 9.247 1.00 0.00 O ATOM 848 CB LEU A 59 5.165 13.404 7.265 1.00 0.00 C ATOM 849 CG LEU A 59 4.734 11.948 7.081 1.00 0.00 C ATOM 850 CD1 LEU A 59 4.999 11.489 5.656 1.00 0.00 C ATOM 851 CD2 LEU A 59 5.455 11.049 8.075 1.00 0.00 C ATOM 0 H LEU A 59 2.659 13.985 8.081 1.00 0.00 H new ATOM 0 HA LEU A 59 5.306 13.724 9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.793 13.982 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.253 13.448 7.227 1.00 0.00 H new ATOM 0 HG LEU A 59 3.663 11.880 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.686 10.451 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.437 12.114 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.064 11.572 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.136 10.017 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.531 11.122 7.918 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.215 11.363 9.091 1.00 0.00 H new ATOM 863 N GLU A 60 4.245 16.187 7.437 1.00 0.00 N ATOM 864 CA GLU A 60 4.336 17.626 7.220 1.00 0.00 C ATOM 865 C GLU A 60 3.068 18.330 7.697 1.00 0.00 C ATOM 866 O GLU A 60 2.172 17.702 8.260 1.00 0.00 O ATOM 867 CB GLU A 60 4.573 17.927 5.739 1.00 0.00 C ATOM 868 CG GLU A 60 5.899 17.400 5.216 1.00 0.00 C ATOM 869 CD GLU A 60 7.086 18.187 5.736 1.00 0.00 C ATOM 870 OE1 GLU A 60 7.317 19.309 5.240 1.00 0.00 O ATOM 871 OE2 GLU A 60 7.783 17.680 6.640 1.00 0.00 O ATOM 0 H GLU A 60 3.661 15.694 6.761 1.00 0.00 H new ATOM 0 HA GLU A 60 5.179 18.002 7.799 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.763 17.492 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.534 19.005 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.008 16.354 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.895 17.434 4.127 1.00 0.00 H new ATOM 878 N ASN A 61 3.002 19.637 7.466 1.00 0.00 N ATOM 879 CA ASN A 61 1.845 20.427 7.872 1.00 0.00 C ATOM 880 C ASN A 61 0.553 19.812 7.342 1.00 0.00 C ATOM 881 O ASN A 61 -0.302 19.378 8.113 1.00 0.00 O ATOM 882 CB ASN A 61 1.982 21.865 7.370 1.00 0.00 C ATOM 883 CG ASN A 61 3.429 22.308 7.271 1.00 0.00 C ATOM 884 OD1 ASN A 61 4.067 21.996 6.149 1.00 0.00 O flip ATOM 885 ND2 ASN A 61 3.966 22.923 8.192 1.00 0.00 N flip ATOM 0 H ASN A 61 3.735 20.171 7.000 1.00 0.00 H new ATOM 0 HA ASN A 61 1.804 20.432 8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.511 21.951 6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.445 22.534 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.437 23.141 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.940 23.214 8.111 1.00 0.00 H new ATOM 892 N GLY A 62 0.419 19.778 6.020 1.00 0.00 N ATOM 893 CA GLY A 62 -0.770 19.214 5.408 1.00 0.00 C ATOM 894 C GLY A 62 -0.475 17.954 4.619 1.00 0.00 C ATOM 895 O GLY A 62 -0.873 17.831 3.461 1.00 0.00 O ATOM 0 H GLY A 62 1.113 20.131 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.502 18.990 6.184 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.221 19.955 4.748 1.00 0.00 H new ATOM 899 N VAL A 63 0.227 17.016 5.246 1.00 0.00 N ATOM 900 CA VAL A 63 0.577 15.759 4.595 1.00 0.00 C ATOM 901 C VAL A 63 0.339 14.574 5.524 1.00 0.00 C ATOM 902 O VAL A 63 0.659 14.629 6.712 1.00 0.00 O ATOM 903 CB VAL A 63 2.048 15.753 4.138 1.00 0.00 C ATOM 904 CG1 VAL A 63 2.365 14.477 3.373 1.00 0.00 C ATOM 905 CG2 VAL A 63 2.347 16.981 3.292 1.00 0.00 C ATOM 0 H VAL A 63 0.565 17.103 6.205 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.067 15.666 3.720 1.00 0.00 H new ATOM 0 HB VAL A 63 2.685 15.785 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.409 14.491 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.192 13.614 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.722 14.410 2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.390 16.961 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.703 16.983 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.162 17.881 3.879 1.00 0.00 H new ATOM 915 N LEU A 64 -0.223 13.502 4.975 1.00 0.00 N ATOM 916 CA LEU A 64 -0.503 12.302 5.755 1.00 0.00 C ATOM 917 C LEU A 64 -0.049 11.051 5.010 1.00 0.00 C ATOM 918 O LEU A 64 -0.454 10.813 3.872 1.00 0.00 O ATOM 919 CB LEU A 64 -1.998 12.209 6.066 1.00 0.00 C ATOM 920 CG LEU A 64 -2.413 11.108 7.042 1.00 0.00 C ATOM 921 CD1 LEU A 64 -2.285 11.591 8.478 1.00 0.00 C ATOM 922 CD2 LEU A 64 -3.836 10.651 6.756 1.00 0.00 C ATOM 0 H LEU A 64 -0.493 13.440 3.993 1.00 0.00 H new ATOM 0 HA LEU A 64 0.053 12.368 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.325 13.167 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.535 12.058 5.129 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.745 10.258 6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.585 10.794 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.250 11.868 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.928 12.458 8.629 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.115 9.867 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.518 11.495 6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.896 10.263 5.739 1.00 0.00 H new ATOM 934 N GLN A 65 0.792 10.253 5.660 1.00 0.00 N ATOM 935 CA GLN A 65 1.300 9.026 5.059 1.00 0.00 C ATOM 936 C GLN A 65 0.675 7.799 5.716 1.00 0.00 C ATOM 937 O GLN A 65 0.663 7.678 6.941 1.00 0.00 O ATOM 938 CB GLN A 65 2.823 8.964 5.181 1.00 0.00 C ATOM 939 CG GLN A 65 3.418 7.645 4.716 1.00 0.00 C ATOM 940 CD GLN A 65 4.861 7.471 5.148 1.00 0.00 C ATOM 941 OE1 GLN A 65 5.173 7.501 6.339 1.00 0.00 O ATOM 942 NE2 GLN A 65 5.751 7.288 4.179 1.00 0.00 N ATOM 0 H GLN A 65 1.136 10.434 6.603 1.00 0.00 H new ATOM 0 HA GLN A 65 1.028 9.029 4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.259 9.775 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.103 9.133 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.822 6.822 5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.359 7.587 3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.448 7.270 3.205 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.737 7.165 4.409 1.00 0.00 H new ATOM 951 N ILE A 66 0.157 6.893 4.894 1.00 0.00 N ATOM 952 CA ILE A 66 -0.468 5.676 5.396 1.00 0.00 C ATOM 953 C ILE A 66 0.183 4.435 4.796 1.00 0.00 C ATOM 954 O ILE A 66 -0.122 4.044 3.669 1.00 0.00 O ATOM 955 CB ILE A 66 -1.977 5.650 5.088 1.00 0.00 C ATOM 956 CG1 ILE A 66 -2.681 6.820 5.778 1.00 0.00 C ATOM 957 CG2 ILE A 66 -2.585 4.326 5.527 1.00 0.00 C ATOM 958 CD1 ILE A 66 -2.755 8.068 4.926 1.00 0.00 C ATOM 0 H ILE A 66 0.158 6.979 3.878 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.325 5.671 6.477 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.114 5.751 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.691 6.516 6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.157 7.053 6.705 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.652 4.323 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.100 3.508 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.440 4.197 6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.267 8.856 5.479 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.747 8.397 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.305 7.851 4.010 1.00 0.00 H new ATOM 970 N ARG A 67 1.082 3.818 5.556 1.00 0.00 N ATOM 971 CA ARG A 67 1.776 2.620 5.100 1.00 0.00 C ATOM 972 C ARG A 67 0.943 1.371 5.371 1.00 0.00 C ATOM 973 O ARG A 67 0.097 1.359 6.266 1.00 0.00 O ATOM 974 CB ARG A 67 3.136 2.499 5.790 1.00 0.00 C ATOM 975 CG ARG A 67 4.157 3.516 5.308 1.00 0.00 C ATOM 976 CD ARG A 67 5.415 3.490 6.162 1.00 0.00 C ATOM 977 NE ARG A 67 6.401 2.539 5.655 1.00 0.00 N ATOM 978 CZ ARG A 67 7.415 2.077 6.378 1.00 0.00 C ATOM 979 NH1 ARG A 67 7.575 2.475 7.632 1.00 0.00 N ATOM 980 NH2 ARG A 67 8.271 1.213 5.846 1.00 0.00 N ATOM 0 H ARG A 67 1.347 4.128 6.491 1.00 0.00 H new ATOM 0 HA ARG A 67 1.928 2.707 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.000 2.615 6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.529 1.496 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.416 3.309 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.719 4.514 5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.854 4.487 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.152 3.228 7.187 1.00 0.00 H new ATOM 0 HE ARG A 67 6.306 2.212 4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.918 3.138 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.355 2.118 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.150 0.904 4.882 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.049 0.859 6.402 1.00 0.00 H new ATOM 994 N TYR A 68 1.186 0.323 4.592 1.00 0.00 N ATOM 995 CA TYR A 68 0.456 -0.930 4.746 1.00 0.00 C ATOM 996 C TYR A 68 -1.031 -0.731 4.467 1.00 0.00 C ATOM 997 O TYR A 68 -1.881 -1.129 5.263 1.00 0.00 O ATOM 998 CB TYR A 68 0.652 -1.488 6.157 1.00 0.00 C ATOM 999 CG TYR A 68 2.100 -1.734 6.515 1.00 0.00 C ATOM 1000 CD1 TYR A 68 2.798 -2.806 5.973 1.00 0.00 C ATOM 1001 CD2 TYR A 68 2.771 -0.893 7.395 1.00 0.00 C ATOM 1002 CE1 TYR A 68 4.121 -3.035 6.299 1.00 0.00 C ATOM 1003 CE2 TYR A 68 4.094 -1.114 7.725 1.00 0.00 C ATOM 1004 CZ TYR A 68 4.764 -2.186 7.175 1.00 0.00 C ATOM 1005 OH TYR A 68 6.083 -2.410 7.500 1.00 0.00 O ATOM 0 H TYR A 68 1.883 0.316 3.847 1.00 0.00 H new ATOM 0 HA TYR A 68 0.851 -1.643 4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.222 -0.792 6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.100 -2.423 6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.298 -3.472 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.249 -0.052 7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.649 -3.874 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.601 -0.451 8.410 1.00 0.00 H new ATOM 0 HH TYR A 68 6.387 -1.721 8.128 1.00 0.00 H new ATOM 1015 N ALA A 69 -1.336 -0.114 3.331 1.00 0.00 N ATOM 1016 CA ALA A 69 -2.719 0.135 2.944 1.00 0.00 C ATOM 1017 C ALA A 69 -3.494 -1.171 2.808 1.00 0.00 C ATOM 1018 O ALA A 69 -3.422 -1.844 1.780 1.00 0.00 O ATOM 1019 CB ALA A 69 -2.769 0.920 1.641 1.00 0.00 C ATOM 0 H ALA A 69 -0.644 0.223 2.662 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.190 0.726 3.729 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.808 1.099 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.259 1.874 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.276 0.350 0.854 1.00 0.00 H new ATOM 1025 N LYS A 70 -4.237 -1.524 3.852 1.00 0.00 N ATOM 1026 CA LYS A 70 -5.027 -2.749 3.849 1.00 0.00 C ATOM 1027 C LYS A 70 -6.262 -2.599 2.966 1.00 0.00 C ATOM 1028 O LYS A 70 -6.488 -1.543 2.373 1.00 0.00 O ATOM 1029 CB LYS A 70 -5.448 -3.112 5.275 1.00 0.00 C ATOM 1030 CG LYS A 70 -4.281 -3.247 6.238 1.00 0.00 C ATOM 1031 CD LYS A 70 -4.724 -3.063 7.680 1.00 0.00 C ATOM 1032 CE LYS A 70 -3.742 -3.702 8.650 1.00 0.00 C ATOM 1033 NZ LYS A 70 -4.030 -5.148 8.859 1.00 0.00 N ATOM 0 H LYS A 70 -4.308 -0.979 4.711 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.408 -3.549 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.130 -2.349 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.001 -4.051 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.822 -4.229 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.519 -2.507 5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.815 -2.000 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.712 -3.503 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.727 -3.585 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.785 -3.181 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.339 -5.547 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.989 -5.259 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.964 -5.650 7.951 1.00 0.00 H new ATOM 1047 N LEU A 71 -7.058 -3.659 2.885 1.00 0.00 N ATOM 1048 CA LEU A 71 -8.271 -3.644 2.075 1.00 0.00 C ATOM 1049 C LEU A 71 -9.352 -2.788 2.729 1.00 0.00 C ATOM 1050 O LEU A 71 -10.050 -2.031 2.056 1.00 0.00 O ATOM 1051 CB LEU A 71 -8.788 -5.069 1.870 1.00 0.00 C ATOM 1052 CG LEU A 71 -7.902 -5.990 1.030 1.00 0.00 C ATOM 1053 CD1 LEU A 71 -8.295 -7.444 1.239 1.00 0.00 C ATOM 1054 CD2 LEU A 71 -7.990 -5.618 -0.442 1.00 0.00 C ATOM 0 H LEU A 71 -6.886 -4.540 3.370 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.026 -3.210 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.929 -5.527 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.770 -5.014 1.399 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.869 -5.864 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.654 -8.085 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.179 -7.705 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.334 -7.586 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.353 -6.284 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.022 -5.715 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.658 -4.589 -0.578 1.00 0.00 H new ATOM 1066 N GLY A 72 -9.482 -2.913 4.046 1.00 0.00 N ATOM 1067 CA GLY A 72 -10.478 -2.144 4.770 1.00 0.00 C ATOM 1068 C GLY A 72 -10.245 -0.650 4.664 1.00 0.00 C ATOM 1069 O GLY A 72 -11.184 0.140 4.762 1.00 0.00 O ATOM 0 H GLY A 72 -8.916 -3.533 4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.469 -2.383 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.467 -2.437 5.820 1.00 0.00 H new ATOM 1073 N ASP A 73 -8.990 -0.261 4.466 1.00 0.00 N ATOM 1074 CA ASP A 73 -8.637 1.149 4.348 1.00 0.00 C ATOM 1075 C ASP A 73 -9.426 1.815 3.225 1.00 0.00 C ATOM 1076 O ASP A 73 -9.776 2.993 3.310 1.00 0.00 O ATOM 1077 CB ASP A 73 -7.136 1.301 4.093 1.00 0.00 C ATOM 1078 CG ASP A 73 -6.325 1.271 5.373 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -6.544 2.149 6.235 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -5.473 0.370 5.514 1.00 0.00 O ATOM 0 H ASP A 73 -8.201 -0.902 4.384 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.890 1.641 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.800 0.500 3.434 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.952 2.241 3.572 1.00 0.00 H new ATOM 1085 N THR A 74 -9.703 1.054 2.171 1.00 0.00 N ATOM 1086 CA THR A 74 -10.449 1.570 1.030 1.00 0.00 C ATOM 1087 C THR A 74 -11.550 2.524 1.479 1.00 0.00 C ATOM 1088 O THR A 74 -12.548 2.104 2.063 1.00 0.00 O ATOM 1089 CB THR A 74 -11.077 0.430 0.207 1.00 0.00 C ATOM 1090 OG1 THR A 74 -10.052 -0.433 -0.297 1.00 0.00 O ATOM 1091 CG2 THR A 74 -11.894 0.984 -0.950 1.00 0.00 C ATOM 0 H THR A 74 -9.422 0.077 2.084 1.00 0.00 H new ATOM 0 HA THR A 74 -9.737 2.109 0.405 1.00 0.00 H new ATOM 0 HB THR A 74 -11.740 -0.137 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.870 -1.141 0.356 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.328 0.160 -1.517 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.692 1.617 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.249 1.573 -1.602 1.00 0.00 H new ATOM 1099 N GLY A 75 -11.362 3.811 1.202 1.00 0.00 N ATOM 1100 CA GLY A 75 -12.348 4.804 1.585 1.00 0.00 C ATOM 1101 C GLY A 75 -12.161 6.118 0.853 1.00 0.00 C ATOM 1102 O GLY A 75 -11.260 6.253 0.025 1.00 0.00 O ATOM 0 H GLY A 75 -10.544 4.183 0.719 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.347 4.417 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.286 4.978 2.659 1.00 0.00 H new ATOM 1106 N ARG A 76 -13.016 7.090 1.157 1.00 0.00 N ATOM 1107 CA ARG A 76 -12.942 8.399 0.521 1.00 0.00 C ATOM 1108 C ARG A 76 -12.257 9.411 1.435 1.00 0.00 C ATOM 1109 O ARG A 76 -12.853 9.897 2.396 1.00 0.00 O ATOM 1110 CB ARG A 76 -14.344 8.892 0.156 1.00 0.00 C ATOM 1111 CG ARG A 76 -15.356 8.735 1.279 1.00 0.00 C ATOM 1112 CD ARG A 76 -16.583 9.602 1.048 1.00 0.00 C ATOM 1113 NE ARG A 76 -16.249 11.023 1.000 1.00 0.00 N ATOM 1114 CZ ARG A 76 -17.156 11.989 0.920 1.00 0.00 C ATOM 1115 NH1 ARG A 76 -18.447 11.690 0.880 1.00 0.00 N ATOM 1116 NH2 ARG A 76 -16.773 13.259 0.880 1.00 0.00 N ATOM 0 H ARG A 76 -13.768 6.995 1.840 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.350 8.300 -0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.288 9.943 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.696 8.345 -0.718 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.657 7.690 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.893 9.004 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.062 9.311 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.306 9.426 1.845 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.264 11.288 1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.746 10.715 0.911 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.141 12.435 0.819 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -15.781 13.494 0.911 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.471 14.000 0.819 1.00 0.00 H new ATOM 1130 N TYR A 77 -11.003 9.722 1.129 1.00 0.00 N ATOM 1131 CA TYR A 77 -10.236 10.674 1.924 1.00 0.00 C ATOM 1132 C TYR A 77 -10.584 12.109 1.542 1.00 0.00 C ATOM 1133 O TYR A 77 -10.688 12.443 0.361 1.00 0.00 O ATOM 1134 CB TYR A 77 -8.737 10.434 1.739 1.00 0.00 C ATOM 1135 CG TYR A 77 -8.238 9.172 2.406 1.00 0.00 C ATOM 1136 CD1 TYR A 77 -8.456 7.926 1.832 1.00 0.00 C ATOM 1137 CD2 TYR A 77 -7.550 9.226 3.612 1.00 0.00 C ATOM 1138 CE1 TYR A 77 -8.003 6.770 2.439 1.00 0.00 C ATOM 1139 CE2 TYR A 77 -7.092 8.076 4.225 1.00 0.00 C ATOM 1140 CZ TYR A 77 -7.321 6.851 3.635 1.00 0.00 C ATOM 1141 OH TYR A 77 -6.868 5.703 4.243 1.00 0.00 O ATOM 0 H TYR A 77 -10.496 9.329 0.336 1.00 0.00 H new ATOM 0 HA TYR A 77 -10.495 10.524 2.972 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.515 10.384 0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.189 11.287 2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.989 7.859 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.370 10.184 4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.182 5.809 1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.557 8.136 5.161 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.407 5.934 5.076 1.00 0.00 H new ATOM 1151 N THR A 78 -10.762 12.957 2.551 1.00 0.00 N ATOM 1152 CA THR A 78 -11.099 14.356 2.323 1.00 0.00 C ATOM 1153 C THR A 78 -10.305 15.270 3.249 1.00 0.00 C ATOM 1154 O THR A 78 -10.169 14.996 4.442 1.00 0.00 O ATOM 1155 CB THR A 78 -12.603 14.613 2.531 1.00 0.00 C ATOM 1156 OG1 THR A 78 -13.367 13.823 1.614 1.00 0.00 O ATOM 1157 CG2 THR A 78 -12.933 16.086 2.337 1.00 0.00 C ATOM 0 H THR A 78 -10.678 12.698 3.534 1.00 0.00 H new ATOM 0 HA THR A 78 -10.841 14.579 1.288 1.00 0.00 H new ATOM 0 HB THR A 78 -12.859 14.331 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.159 13.468 2.069 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.001 16.243 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.373 16.682 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.662 16.389 1.326 1.00 0.00 H new ATOM 1165 N CYS A 79 -9.784 16.359 2.694 1.00 0.00 N ATOM 1166 CA CYS A 79 -9.003 17.315 3.470 1.00 0.00 C ATOM 1167 C CYS A 79 -9.866 18.497 3.903 1.00 0.00 C ATOM 1168 O CYS A 79 -10.782 18.905 3.188 1.00 0.00 O ATOM 1169 CB CYS A 79 -7.810 17.813 2.653 1.00 0.00 C ATOM 1170 SG CYS A 79 -8.189 19.228 1.570 1.00 0.00 S ATOM 0 H CYS A 79 -9.889 16.602 1.709 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.637 16.808 4.363 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.009 18.096 3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -7.434 16.992 2.042 1.00 0.00 H new ATOM 1175 N ILE A 80 -9.567 19.042 5.077 1.00 0.00 N ATOM 1176 CA ILE A 80 -10.313 20.177 5.605 1.00 0.00 C ATOM 1177 C ILE A 80 -9.373 21.265 6.112 1.00 0.00 C ATOM 1178 O ILE A 80 -8.500 21.008 6.940 1.00 0.00 O ATOM 1179 CB ILE A 80 -11.252 19.751 6.749 1.00 0.00 C ATOM 1180 CG1 ILE A 80 -12.076 18.530 6.334 1.00 0.00 C ATOM 1181 CG2 ILE A 80 -12.164 20.903 7.143 1.00 0.00 C ATOM 1182 CD1 ILE A 80 -11.392 17.212 6.625 1.00 0.00 C ATOM 0 H ILE A 80 -8.813 18.716 5.681 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.911 20.571 4.783 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.647 19.481 7.614 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.034 18.555 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.290 18.591 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.821 20.586 7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.560 21.748 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.764 21.202 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.033 16.391 6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.446 17.166 6.085 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.203 17.129 7.695 1.00 0.00 H new ATOM 1194 N ALA A 81 -9.560 22.482 5.612 1.00 0.00 N ATOM 1195 CA ALA A 81 -8.732 23.611 6.017 1.00 0.00 C ATOM 1196 C ALA A 81 -9.543 24.629 6.811 1.00 0.00 C ATOM 1197 O ALA A 81 -10.301 25.414 6.241 1.00 0.00 O ATOM 1198 CB ALA A 81 -8.103 24.269 4.798 1.00 0.00 C ATOM 0 H ALA A 81 -10.278 22.711 4.925 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.938 23.235 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.487 25.111 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.482 23.543 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.888 24.625 4.131 1.00 0.00 H new ATOM 1204 N SER A 82 -9.378 24.611 8.130 1.00 0.00 N ATOM 1205 CA SER A 82 -10.098 25.531 9.003 1.00 0.00 C ATOM 1206 C SER A 82 -9.267 26.780 9.281 1.00 0.00 C ATOM 1207 O SER A 82 -8.090 26.692 9.633 1.00 0.00 O ATOM 1208 CB SER A 82 -10.459 24.841 10.320 1.00 0.00 C ATOM 1209 OG SER A 82 -11.046 25.754 11.230 1.00 0.00 O ATOM 0 H SER A 82 -8.752 23.970 8.617 1.00 0.00 H new ATOM 0 HA SER A 82 -11.015 25.832 8.495 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.150 24.020 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.563 24.406 10.764 1.00 0.00 H new ATOM 0 HG SER A 82 -11.269 25.288 12.063 1.00 0.00 H new ATOM 1215 N THR A 83 -9.888 27.944 9.120 1.00 0.00 N ATOM 1216 CA THR A 83 -9.207 29.212 9.351 1.00 0.00 C ATOM 1217 C THR A 83 -10.162 30.252 9.927 1.00 0.00 C ATOM 1218 O THR A 83 -11.383 30.130 9.830 1.00 0.00 O ATOM 1219 CB THR A 83 -8.588 29.763 8.053 1.00 0.00 C ATOM 1220 OG1 THR A 83 -9.354 29.329 6.923 1.00 0.00 O ATOM 1221 CG2 THR A 83 -7.147 29.302 7.902 1.00 0.00 C ATOM 0 H THR A 83 -10.862 28.035 8.830 1.00 0.00 H new ATOM 0 HA THR A 83 -8.411 29.016 10.069 1.00 0.00 H new ATOM 0 HB THR A 83 -8.600 30.852 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.306 29.483 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.731 29.704 6.978 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.560 29.658 8.749 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.115 28.213 7.871 1.00 0.00 H new ATOM 1229 N PRO A 84 -9.595 31.301 10.541 1.00 0.00 N ATOM 1230 CA PRO A 84 -10.378 32.383 11.144 1.00 0.00 C ATOM 1231 C PRO A 84 -11.074 33.247 10.098 1.00 0.00 C ATOM 1232 O PRO A 84 -11.745 34.224 10.431 1.00 0.00 O ATOM 1233 CB PRO A 84 -9.329 33.202 11.901 1.00 0.00 C ATOM 1234 CG PRO A 84 -8.050 32.928 11.189 1.00 0.00 C ATOM 1235 CD PRO A 84 -8.146 31.511 10.694 1.00 0.00 C ATOM 0 HA PRO A 84 -11.179 32.002 11.777 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.570 34.265 11.887 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.272 32.902 12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.908 33.622 10.360 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.198 33.051 11.857 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.619 31.379 9.749 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.711 30.807 11.403 1.00 0.00 H new ATOM 1243 N SER A 85 -10.911 32.880 8.830 1.00 0.00 N ATOM 1244 CA SER A 85 -11.521 33.624 7.735 1.00 0.00 C ATOM 1245 C SER A 85 -12.569 32.776 7.020 1.00 0.00 C ATOM 1246 O SER A 85 -13.602 33.283 6.584 1.00 0.00 O ATOM 1247 CB SER A 85 -10.451 34.078 6.740 1.00 0.00 C ATOM 1248 OG SER A 85 -11.018 34.856 5.700 1.00 0.00 O ATOM 0 H SER A 85 -10.362 32.072 8.537 1.00 0.00 H new ATOM 0 HA SER A 85 -12.013 34.502 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.690 34.660 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.952 33.207 6.316 1.00 0.00 H new ATOM 0 HG SER A 85 -10.313 35.135 5.079 1.00 0.00 H new ATOM 1254 N GLY A 86 -12.294 31.481 6.904 1.00 0.00 N ATOM 1255 CA GLY A 86 -13.222 30.582 6.241 1.00 0.00 C ATOM 1256 C GLY A 86 -12.790 29.132 6.333 1.00 0.00 C ATOM 1257 O GLY A 86 -11.886 28.795 7.097 1.00 0.00 O ATOM 0 H GLY A 86 -11.446 31.038 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.211 30.692 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.311 30.866 5.192 1.00 0.00 H new ATOM 1261 N GLU A 87 -13.439 28.273 5.554 1.00 0.00 N ATOM 1262 CA GLU A 87 -13.117 26.850 5.553 1.00 0.00 C ATOM 1263 C GLU A 87 -13.517 26.203 4.231 1.00 0.00 C ATOM 1264 O GLU A 87 -14.604 26.450 3.709 1.00 0.00 O ATOM 1265 CB GLU A 87 -13.824 26.145 6.713 1.00 0.00 C ATOM 1266 CG GLU A 87 -13.324 24.731 6.961 1.00 0.00 C ATOM 1267 CD GLU A 87 -14.300 23.901 7.772 1.00 0.00 C ATOM 1268 OE1 GLU A 87 -15.478 23.810 7.369 1.00 0.00 O ATOM 1269 OE2 GLU A 87 -13.885 23.344 8.810 1.00 0.00 O ATOM 0 H GLU A 87 -14.190 28.537 4.916 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.039 26.747 5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.690 26.733 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.894 26.113 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.143 24.241 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.368 24.774 7.483 1.00 0.00 H new ATOM 1276 N ALA A 88 -12.628 25.373 3.693 1.00 0.00 N ATOM 1277 CA ALA A 88 -12.887 24.689 2.432 1.00 0.00 C ATOM 1278 C ALA A 88 -12.524 23.211 2.525 1.00 0.00 C ATOM 1279 O ALA A 88 -11.924 22.768 3.505 1.00 0.00 O ATOM 1280 CB ALA A 88 -12.116 25.355 1.302 1.00 0.00 C ATOM 0 H ALA A 88 -11.723 25.159 4.111 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.954 24.761 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.319 24.834 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -12.428 26.396 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.048 25.313 1.516 1.00 0.00 H new ATOM 1286 N THR A 89 -12.890 22.451 1.498 1.00 0.00 N ATOM 1287 CA THR A 89 -12.605 21.022 1.465 1.00 0.00 C ATOM 1288 C THR A 89 -12.293 20.556 0.047 1.00 0.00 C ATOM 1289 O THR A 89 -12.607 21.244 -0.925 1.00 0.00 O ATOM 1290 CB THR A 89 -13.785 20.200 2.015 1.00 0.00 C ATOM 1291 OG1 THR A 89 -14.976 20.497 1.277 1.00 0.00 O ATOM 1292 CG2 THR A 89 -14.009 20.496 3.490 1.00 0.00 C ATOM 0 H THR A 89 -13.385 22.801 0.678 1.00 0.00 H new ATOM 0 HA THR A 89 -11.733 20.860 2.098 1.00 0.00 H new ATOM 0 HB THR A 89 -13.545 19.142 1.905 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.721 19.969 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.848 19.904 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.111 20.241 4.053 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.229 21.556 3.619 1.00 0.00 H new ATOM 1300 N TRP A 90 -11.677 19.385 -0.064 1.00 0.00 N ATOM 1301 CA TRP A 90 -11.325 18.828 -1.365 1.00 0.00 C ATOM 1302 C TRP A 90 -11.885 17.419 -1.524 1.00 0.00 C ATOM 1303 O TRP A 90 -12.208 16.755 -0.539 1.00 0.00 O ATOM 1304 CB TRP A 90 -9.805 18.808 -1.540 1.00 0.00 C ATOM 1305 CG TRP A 90 -9.373 18.560 -2.953 1.00 0.00 C ATOM 1306 CD1 TRP A 90 -8.948 17.376 -3.484 1.00 0.00 C ATOM 1307 CD2 TRP A 90 -9.321 19.519 -4.015 1.00 0.00 C ATOM 1308 NE1 TRP A 90 -8.635 17.541 -4.812 1.00 0.00 N ATOM 1309 CE2 TRP A 90 -8.857 18.847 -5.162 1.00 0.00 C ATOM 1310 CE3 TRP A 90 -9.624 20.880 -4.108 1.00 0.00 C ATOM 1311 CZ2 TRP A 90 -8.688 19.491 -6.385 1.00 0.00 C ATOM 1312 CZ3 TRP A 90 -9.456 21.518 -5.322 1.00 0.00 C ATOM 1313 CH2 TRP A 90 -8.992 20.824 -6.447 1.00 0.00 C ATOM 0 H TRP A 90 -11.411 18.803 0.730 1.00 0.00 H new ATOM 0 HA TRP A 90 -11.765 19.463 -2.135 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.395 19.761 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -9.383 18.035 -0.898 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.869 16.446 -2.940 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -8.293 16.810 -5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.983 21.423 -3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -8.330 18.958 -7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.686 22.570 -5.405 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -8.872 21.351 -7.382 1.00 0.00 H new ATOM 1324 N SER A 91 -11.998 16.968 -2.769 1.00 0.00 N ATOM 1325 CA SER A 91 -12.524 15.638 -3.056 1.00 0.00 C ATOM 1326 C SER A 91 -11.395 14.669 -3.393 1.00 0.00 C ATOM 1327 O SER A 91 -10.498 14.991 -4.172 1.00 0.00 O ATOM 1328 CB SER A 91 -13.521 15.700 -4.214 1.00 0.00 C ATOM 1329 OG SER A 91 -12.852 15.775 -5.461 1.00 0.00 O ATOM 0 H SER A 91 -11.732 17.504 -3.595 1.00 0.00 H new ATOM 0 HA SER A 91 -13.036 15.276 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.161 14.818 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.170 16.568 -4.093 1.00 0.00 H new ATOM 0 HG SER A 91 -13.512 15.812 -6.185 1.00 0.00 H new ATOM 1335 N ALA A 92 -11.446 13.481 -2.801 1.00 0.00 N ATOM 1336 CA ALA A 92 -10.430 12.463 -3.039 1.00 0.00 C ATOM 1337 C ALA A 92 -10.911 11.090 -2.584 1.00 0.00 C ATOM 1338 O ALA A 92 -11.659 10.974 -1.613 1.00 0.00 O ATOM 1339 CB ALA A 92 -9.136 12.834 -2.330 1.00 0.00 C ATOM 0 H ALA A 92 -12.181 13.199 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.243 12.415 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.386 12.065 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.776 13.791 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.318 12.912 -1.258 1.00 0.00 H new ATOM 1345 N TYR A 93 -10.478 10.052 -3.291 1.00 0.00 N ATOM 1346 CA TYR A 93 -10.867 8.686 -2.961 1.00 0.00 C ATOM 1347 C TYR A 93 -9.728 7.712 -3.244 1.00 0.00 C ATOM 1348 O TYR A 93 -9.174 7.691 -4.343 1.00 0.00 O ATOM 1349 CB TYR A 93 -12.110 8.281 -3.756 1.00 0.00 C ATOM 1350 CG TYR A 93 -12.668 6.933 -3.361 1.00 0.00 C ATOM 1351 CD1 TYR A 93 -11.943 5.768 -3.577 1.00 0.00 C ATOM 1352 CD2 TYR A 93 -13.921 6.825 -2.770 1.00 0.00 C ATOM 1353 CE1 TYR A 93 -12.450 4.534 -3.218 1.00 0.00 C ATOM 1354 CE2 TYR A 93 -14.436 5.595 -2.407 1.00 0.00 C ATOM 1355 CZ TYR A 93 -13.697 4.453 -2.634 1.00 0.00 C ATOM 1356 OH TYR A 93 -14.205 3.226 -2.274 1.00 0.00 O ATOM 0 H TYR A 93 -9.857 10.131 -4.097 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.097 8.648 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.882 9.039 -3.619 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.863 8.266 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.966 5.828 -4.033 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.502 7.718 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.873 3.638 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.411 5.529 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.092 3.344 -1.875 1.00 0.00 H new ATOM 1366 N ILE A 94 -9.386 6.906 -2.245 1.00 0.00 N ATOM 1367 CA ILE A 94 -8.315 5.927 -2.386 1.00 0.00 C ATOM 1368 C ILE A 94 -8.869 4.507 -2.424 1.00 0.00 C ATOM 1369 O ILE A 94 -9.693 4.130 -1.592 1.00 0.00 O ATOM 1370 CB ILE A 94 -7.296 6.038 -1.237 1.00 0.00 C ATOM 1371 CG1 ILE A 94 -6.771 7.471 -1.128 1.00 0.00 C ATOM 1372 CG2 ILE A 94 -6.148 5.063 -1.451 1.00 0.00 C ATOM 1373 CD1 ILE A 94 -5.746 7.821 -2.184 1.00 0.00 C ATOM 0 H ILE A 94 -9.835 6.911 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.812 6.143 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.795 5.782 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.610 8.163 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.328 7.613 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.436 5.153 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.536 4.045 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.648 5.291 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.418 8.851 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.889 7.153 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -6.191 7.711 -3.173 1.00 0.00 H new ATOM 1385 N GLU A 95 -8.409 3.724 -3.396 1.00 0.00 N ATOM 1386 CA GLU A 95 -8.859 2.345 -3.541 1.00 0.00 C ATOM 1387 C GLU A 95 -7.721 1.369 -3.256 1.00 0.00 C ATOM 1388 O GLU A 95 -6.563 1.637 -3.576 1.00 0.00 O ATOM 1389 CB GLU A 95 -9.407 2.109 -4.950 1.00 0.00 C ATOM 1390 CG GLU A 95 -10.033 0.738 -5.139 1.00 0.00 C ATOM 1391 CD GLU A 95 -11.132 0.737 -6.183 1.00 0.00 C ATOM 1392 OE1 GLU A 95 -10.841 1.061 -7.353 1.00 0.00 O ATOM 1393 OE2 GLU A 95 -12.285 0.411 -5.829 1.00 0.00 O ATOM 0 H GLU A 95 -7.726 4.021 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.654 2.171 -2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -10.152 2.873 -5.173 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.598 2.232 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.260 0.027 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.440 0.395 -4.188 1.00 0.00 H new ATOM 1400 N VAL A 96 -8.060 0.234 -2.652 1.00 0.00 N ATOM 1401 CA VAL A 96 -7.068 -0.783 -2.324 1.00 0.00 C ATOM 1402 C VAL A 96 -7.425 -2.123 -2.958 1.00 0.00 C ATOM 1403 O VAL A 96 -8.505 -2.664 -2.722 1.00 0.00 O ATOM 1404 CB VAL A 96 -6.936 -0.967 -0.801 1.00 0.00 C ATOM 1405 CG1 VAL A 96 -5.865 -1.998 -0.479 1.00 0.00 C ATOM 1406 CG2 VAL A 96 -6.627 0.362 -0.129 1.00 0.00 C ATOM 0 H VAL A 96 -9.014 -0.004 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.115 -0.437 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.887 -1.332 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.786 -2.115 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.133 -2.954 -0.929 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.907 -1.665 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.537 0.213 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.690 0.758 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.432 1.068 -0.332 1.00 0.00 H new ATOM 1416 N GLN A 97 -6.510 -2.653 -3.763 1.00 0.00 N ATOM 1417 CA GLN A 97 -6.729 -3.931 -4.431 1.00 0.00 C ATOM 1418 C GLN A 97 -5.784 -4.998 -3.888 1.00 0.00 C ATOM 1419 O GLN A 97 -4.654 -4.700 -3.501 1.00 0.00 O ATOM 1420 CB GLN A 97 -6.535 -3.781 -5.941 1.00 0.00 C ATOM 1421 CG GLN A 97 -7.782 -3.311 -6.671 1.00 0.00 C ATOM 1422 CD GLN A 97 -7.912 -1.801 -6.692 1.00 0.00 C ATOM 1423 OE1 GLN A 97 -7.354 -1.106 -5.843 1.00 0.00 O ATOM 1424 NE2 GLN A 97 -8.651 -1.284 -7.667 1.00 0.00 N ATOM 0 H GLN A 97 -5.611 -2.218 -3.969 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.754 -4.245 -4.233 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -5.727 -3.073 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.221 -4.739 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.761 -3.684 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.662 -3.741 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.096 -1.897 -8.350 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.774 -0.274 -7.733 1.00 0.00 H new ATOM 1433 N GLU A 98 -6.254 -6.241 -3.863 1.00 0.00 N ATOM 1434 CA GLU A 98 -5.450 -7.351 -3.366 1.00 0.00 C ATOM 1435 C GLU A 98 -4.653 -7.995 -4.497 1.00 0.00 C ATOM 1436 O GLU A 98 -5.122 -8.079 -5.632 1.00 0.00 O ATOM 1437 CB GLU A 98 -6.344 -8.398 -2.697 1.00 0.00 C ATOM 1438 CG GLU A 98 -5.587 -9.354 -1.791 1.00 0.00 C ATOM 1439 CD GLU A 98 -6.394 -10.591 -1.445 1.00 0.00 C ATOM 1440 OE1 GLU A 98 -7.635 -10.486 -1.358 1.00 0.00 O ATOM 1441 OE2 GLU A 98 -5.783 -11.665 -1.261 1.00 0.00 O ATOM 0 H GLU A 98 -7.187 -6.504 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.750 -6.957 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.112 -7.889 -2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.858 -8.972 -3.469 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.660 -9.654 -2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.310 -8.836 -0.873 1.00 0.00 H new