USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.686 (180deg=0.172) USER MOD Single : A 8 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.16) USER MOD Single : A 19 SER OG : rot 68:sc= 1.17 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.15 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0801 K(o=-0.08,f=-0.64) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0.0266 (180deg=0.000557) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc=-0.00735 (180deg=-0.0855) USER MOD Single : A 34 GLN :FLIP amide:sc= 0.216 F(o=-0.31,f=0.22) USER MOD Single : A 40 GLN : amide:sc= -0.0489 X(o=-0.049,f=-0.18) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 55 THR OG1 : rot 139:sc= 0.886 USER MOD Single : A 57 GLN : amide:sc= -0.0847 X(o=-0.085,f=0.084) USER MOD Single : A 58 ASN : amide:sc= 0.183 K(o=0.18,f=-3.1!) USER MOD Single : A 59 CYS SG : rot 68:sc= -1.04! USER MOD Single : A 63 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.34) USER MOD Single : A 64 GLN : amide:sc= -0.0828 X(o=-0.083,f=-0.21) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.74 F(o=-2.3!,f=-1.7) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.138 F(o=-0.87,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.325 -0.250 0.162 1.00 0.00 N ATOM 2 CA MET A 1 3.105 -0.343 -1.087 1.00 0.00 C ATOM 3 C MET A 1 2.616 -1.507 -1.929 1.00 0.00 C ATOM 4 O MET A 1 2.099 -2.495 -1.398 1.00 0.00 O ATOM 5 CB MET A 1 4.605 -0.499 -0.789 1.00 0.00 C ATOM 6 CG MET A 1 4.996 -1.837 -0.168 1.00 0.00 C ATOM 7 SD MET A 1 6.775 -1.975 0.089 1.00 0.00 S ATOM 8 CE MET A 1 6.922 -3.667 0.657 1.00 0.00 C ATOM 0 H1 MET A 1 2.957 0.005 0.948 1.00 0.00 H new ATOM 0 H2 MET A 1 1.590 0.478 0.059 1.00 0.00 H new ATOM 0 H3 MET A 1 1.878 -1.168 0.361 1.00 0.00 H new ATOM 0 HA MET A 1 2.962 0.582 -1.645 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.161 -0.368 -1.717 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.913 0.302 -0.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.483 -1.957 0.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.660 -2.648 -0.815 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.969 -3.894 0.856 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.343 -3.795 1.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.543 -4.343 -0.110 1.00 0.00 H new ATOM 20 N ILE A 2 2.768 -1.391 -3.232 1.00 0.00 N ATOM 21 CA ILE A 2 2.364 -2.441 -4.145 1.00 0.00 C ATOM 22 C ILE A 2 3.586 -3.171 -4.664 1.00 0.00 C ATOM 23 O ILE A 2 4.539 -2.547 -5.127 1.00 0.00 O ATOM 24 CB ILE A 2 1.555 -1.882 -5.343 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.289 -1.177 -4.851 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.201 -3.001 -6.321 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.572 -0.614 -5.962 1.00 0.00 C ATOM 0 H ILE A 2 3.172 -0.572 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 2 1.723 -3.128 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 2 2.174 -1.153 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.304 -1.881 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.574 -0.367 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.633 -2.589 -7.155 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.116 -3.459 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.601 -3.754 -5.810 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.450 -0.130 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.002 0.116 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.889 -1.422 -6.622 1.00 0.00 H new ATOM 39 N VAL A 3 3.566 -4.480 -4.571 1.00 0.00 N ATOM 40 CA VAL A 3 4.666 -5.292 -5.050 1.00 0.00 C ATOM 41 C VAL A 3 4.175 -6.280 -6.096 1.00 0.00 C ATOM 42 O VAL A 3 3.035 -6.740 -6.034 1.00 0.00 O ATOM 43 CB VAL A 3 5.366 -6.060 -3.894 1.00 0.00 C ATOM 44 CG1 VAL A 3 6.020 -5.088 -2.927 1.00 0.00 C ATOM 45 CG2 VAL A 3 4.378 -6.960 -3.158 1.00 0.00 C ATOM 0 H VAL A 3 2.795 -5.011 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 3 5.397 -4.617 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 3 6.140 -6.691 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.505 -5.644 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.764 -4.493 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.261 -4.429 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.894 -7.486 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.576 -6.353 -2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.958 -7.685 -3.855 1.00 0.00 H new ATOM 55 N PHE A 4 5.011 -6.581 -7.063 1.00 0.00 N ATOM 56 CA PHE A 4 4.649 -7.530 -8.096 1.00 0.00 C ATOM 57 C PHE A 4 4.854 -8.941 -7.594 1.00 0.00 C ATOM 58 O PHE A 4 5.882 -9.245 -6.996 1.00 0.00 O ATOM 59 CB PHE A 4 5.474 -7.305 -9.363 1.00 0.00 C ATOM 60 CG PHE A 4 5.260 -5.966 -9.997 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.327 -5.114 -10.220 1.00 0.00 C ATOM 62 CD2 PHE A 4 3.993 -5.560 -10.378 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.136 -3.884 -10.811 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.795 -4.332 -10.967 1.00 0.00 C ATOM 65 CZ PHE A 4 4.868 -3.491 -11.186 1.00 0.00 C ATOM 0 H PHE A 4 5.946 -6.184 -7.158 1.00 0.00 H new ATOM 0 HA PHE A 4 3.598 -7.381 -8.342 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.531 -7.417 -9.121 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.229 -8.082 -10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.322 -5.417 -9.927 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.150 -6.214 -10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.978 -3.229 -10.980 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.801 -4.026 -11.258 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.715 -2.528 -11.650 1.00 0.00 H new ATOM 75 N VAL A 5 3.879 -9.793 -7.821 1.00 0.00 N ATOM 76 CA VAL A 5 3.956 -11.173 -7.380 1.00 0.00 C ATOM 77 C VAL A 5 3.574 -12.120 -8.508 1.00 0.00 C ATOM 78 O VAL A 5 2.554 -11.930 -9.170 1.00 0.00 O ATOM 79 CB VAL A 5 3.022 -11.421 -6.167 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.009 -12.885 -5.776 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.436 -10.562 -4.985 1.00 0.00 C ATOM 0 H VAL A 5 3.017 -9.555 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 5 4.986 -11.365 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 5 2.011 -11.140 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.346 -13.028 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.654 -13.483 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.018 -13.199 -5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.767 -10.752 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.458 -10.807 -4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.380 -9.509 -5.263 1.00 0.00 H new ATOM 91 N ARG A 6 4.398 -13.124 -8.733 1.00 0.00 N ATOM 92 CA ARG A 6 4.119 -14.116 -9.749 1.00 0.00 C ATOM 93 C ARG A 6 3.769 -15.447 -9.104 1.00 0.00 C ATOM 94 O ARG A 6 4.556 -16.008 -8.333 1.00 0.00 O ATOM 95 CB ARG A 6 5.298 -14.276 -10.721 1.00 0.00 C ATOM 96 CG ARG A 6 6.622 -14.614 -10.057 1.00 0.00 C ATOM 97 CD ARG A 6 7.672 -15.000 -11.090 1.00 0.00 C ATOM 98 NE ARG A 6 7.910 -13.933 -12.064 1.00 0.00 N ATOM 99 CZ ARG A 6 8.366 -14.128 -13.309 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.659 -15.348 -13.735 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.537 -13.096 -14.119 1.00 0.00 N ATOM 0 H ARG A 6 5.269 -13.274 -8.223 1.00 0.00 H new ATOM 0 HA ARG A 6 3.263 -13.771 -10.328 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.056 -15.059 -11.439 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.415 -13.351 -11.285 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.972 -13.758 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.480 -15.435 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.606 -15.241 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.351 -15.901 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 6 7.715 -12.974 -11.775 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.538 -16.148 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.006 -15.487 -14.684 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.322 -12.153 -13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.884 -13.244 -15.067 1.00 0.00 H new ATOM 115 N PHE A 7 2.592 -15.942 -9.404 1.00 0.00 N ATOM 116 CA PHE A 7 2.138 -17.193 -8.842 1.00 0.00 C ATOM 117 C PHE A 7 2.401 -18.336 -9.808 1.00 0.00 C ATOM 118 O PHE A 7 2.022 -18.265 -10.986 1.00 0.00 O ATOM 119 CB PHE A 7 0.644 -17.119 -8.503 1.00 0.00 C ATOM 120 CG PHE A 7 0.140 -18.319 -7.754 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.186 -18.351 -6.373 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.375 -19.418 -8.429 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.265 -19.450 -5.677 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.830 -20.521 -7.738 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.775 -20.537 -6.358 1.00 0.00 C ATOM 0 H PHE A 7 1.928 -15.496 -10.037 1.00 0.00 H new ATOM 0 HA PHE A 7 2.694 -17.378 -7.923 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.458 -16.225 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.075 -17.011 -9.426 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.581 -17.503 -5.833 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.420 -19.409 -9.508 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.220 -19.462 -4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.228 -21.370 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.130 -21.399 -5.813 1.00 0.00 H new ATOM 135 N ASN A 8 3.081 -19.379 -9.311 1.00 0.00 N ATOM 136 CA ASN A 8 3.386 -20.583 -10.107 1.00 0.00 C ATOM 137 C ASN A 8 4.259 -20.216 -11.314 1.00 0.00 C ATOM 138 O ASN A 8 4.308 -20.931 -12.305 1.00 0.00 O ATOM 139 CB ASN A 8 2.068 -21.270 -10.551 1.00 0.00 C ATOM 140 CG ASN A 8 2.259 -22.681 -11.097 1.00 0.00 C ATOM 141 OD1 ASN A 8 2.335 -23.642 -10.339 1.00 0.00 O ATOM 142 ND2 ASN A 8 2.298 -22.817 -12.409 1.00 0.00 N ATOM 0 H ASN A 8 3.434 -19.415 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 8 3.947 -21.288 -9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.386 -21.309 -9.701 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.590 -20.657 -11.315 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.394 -23.744 -12.823 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.232 -21.995 -13.009 1.00 0.00 H new ATOM 188 N GLY A 12 1.959 -12.693 -13.449 1.00 0.00 N ATOM 189 CA GLY A 12 2.414 -11.771 -12.436 1.00 0.00 C ATOM 190 C GLY A 12 1.423 -10.656 -12.200 1.00 0.00 C ATOM 191 O GLY A 12 1.094 -9.898 -13.120 1.00 0.00 O ATOM 0 HA2 GLY A 12 2.582 -12.310 -11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.372 -11.347 -12.736 1.00 0.00 H new ATOM 195 N PHE A 13 0.950 -10.547 -10.980 1.00 0.00 N ATOM 196 CA PHE A 13 -0.025 -9.537 -10.620 1.00 0.00 C ATOM 197 C PHE A 13 0.485 -8.671 -9.469 1.00 0.00 C ATOM 198 O PHE A 13 1.285 -9.124 -8.651 1.00 0.00 O ATOM 199 CB PHE A 13 -1.376 -10.191 -10.260 1.00 0.00 C ATOM 200 CG PHE A 13 -1.271 -11.368 -9.323 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.204 -11.183 -7.951 1.00 0.00 C ATOM 202 CD2 PHE A 13 -1.248 -12.660 -9.820 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.115 -12.265 -7.096 1.00 0.00 C ATOM 204 CE2 PHE A 13 -1.157 -13.745 -8.970 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.090 -13.547 -7.608 1.00 0.00 C ATOM 0 H PHE A 13 1.228 -11.154 -10.209 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.179 -8.889 -11.483 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.020 -9.438 -9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.864 -10.516 -11.179 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.222 -10.182 -7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.302 -12.822 -10.886 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.065 -12.108 -6.029 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.138 -14.747 -9.372 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.018 -14.394 -6.942 1.00 0.00 H new ATOM 215 N PRO A 14 0.054 -7.403 -9.417 1.00 0.00 N ATOM 216 CA PRO A 14 0.452 -6.484 -8.358 1.00 0.00 C ATOM 217 C PRO A 14 -0.357 -6.698 -7.076 1.00 0.00 C ATOM 218 O PRO A 14 -1.588 -6.760 -7.105 1.00 0.00 O ATOM 219 CB PRO A 14 0.151 -5.114 -8.963 1.00 0.00 C ATOM 220 CG PRO A 14 -0.992 -5.350 -9.892 1.00 0.00 C ATOM 221 CD PRO A 14 -0.847 -6.763 -10.399 1.00 0.00 C ATOM 0 HA PRO A 14 1.492 -6.616 -8.061 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.110 -4.390 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.016 -4.717 -9.494 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.944 -5.218 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.975 -4.638 -10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.810 -7.271 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.424 -6.786 -11.403 1.00 0.00 H new ATOM 229 N VAL A 15 0.338 -6.824 -5.964 1.00 0.00 N ATOM 230 CA VAL A 15 -0.305 -7.018 -4.677 1.00 0.00 C ATOM 231 C VAL A 15 -0.045 -5.820 -3.770 1.00 0.00 C ATOM 232 O VAL A 15 1.108 -5.461 -3.510 1.00 0.00 O ATOM 233 CB VAL A 15 0.194 -8.313 -3.984 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.481 -8.505 -2.633 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.051 -9.522 -4.874 1.00 0.00 C ATOM 0 H VAL A 15 1.357 -6.795 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.376 -7.115 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 15 1.266 -8.213 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.113 -9.420 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.254 -7.655 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.560 -8.577 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.305 -10.422 -4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.118 -9.616 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.484 -9.396 -5.815 1.00 0.00 H new ATOM 245 N GLU A 16 -1.115 -5.196 -3.309 1.00 0.00 N ATOM 246 CA GLU A 16 -1.008 -4.045 -2.428 1.00 0.00 C ATOM 247 C GLU A 16 -0.980 -4.499 -0.974 1.00 0.00 C ATOM 248 O GLU A 16 -1.932 -5.123 -0.488 1.00 0.00 O ATOM 249 CB GLU A 16 -2.174 -3.081 -2.659 1.00 0.00 C ATOM 250 CG GLU A 16 -2.084 -1.802 -1.844 1.00 0.00 C ATOM 251 CD GLU A 16 -3.248 -0.870 -2.087 1.00 0.00 C ATOM 252 OE1 GLU A 16 -4.282 -1.009 -1.398 1.00 0.00 O ATOM 253 OE2 GLU A 16 -3.139 0.014 -2.961 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.072 -5.468 -3.531 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.079 -3.522 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.216 -2.824 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.107 -3.590 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.041 -2.054 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.155 -1.286 -2.087 1.00 0.00 H new ATOM 260 N VAL A 17 0.108 -4.198 -0.287 1.00 0.00 N ATOM 261 CA VAL A 17 0.264 -4.594 1.102 1.00 0.00 C ATOM 262 C VAL A 17 0.422 -3.381 2.013 1.00 0.00 C ATOM 263 O VAL A 17 0.809 -2.290 1.564 1.00 0.00 O ATOM 264 CB VAL A 17 1.470 -5.543 1.302 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.330 -6.784 0.441 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.782 -4.831 1.008 1.00 0.00 C ATOM 0 H VAL A 17 0.899 -3.679 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.647 -5.128 1.372 1.00 0.00 H new ATOM 0 HB VAL A 17 1.481 -5.852 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.190 -7.435 0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.418 -7.315 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.282 -6.495 -0.609 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.612 -5.522 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.782 -4.480 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.893 -3.980 1.680 1.00 0.00 H new ATOM 276 N ASP A 18 0.136 -3.589 3.280 1.00 0.00 N ATOM 277 CA ASP A 18 0.228 -2.550 4.293 1.00 0.00 C ATOM 278 C ASP A 18 1.580 -2.634 5.001 1.00 0.00 C ATOM 279 O ASP A 18 2.265 -3.657 4.919 1.00 0.00 O ATOM 280 CB ASP A 18 -0.926 -2.722 5.302 1.00 0.00 C ATOM 281 CG ASP A 18 -0.860 -1.778 6.481 1.00 0.00 C ATOM 282 OD1 ASP A 18 -0.464 -2.218 7.571 1.00 0.00 O ATOM 283 OD2 ASP A 18 -1.215 -0.596 6.328 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.170 -4.492 3.643 1.00 0.00 H new ATOM 0 HA ASP A 18 0.147 -1.569 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.873 -2.573 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.922 -3.748 5.671 1.00 0.00 H new ATOM 288 N SER A 19 1.955 -1.569 5.693 1.00 0.00 N ATOM 289 CA SER A 19 3.216 -1.515 6.419 1.00 0.00 C ATOM 290 C SER A 19 3.272 -2.587 7.509 1.00 0.00 C ATOM 291 O SER A 19 4.355 -2.995 7.946 1.00 0.00 O ATOM 292 CB SER A 19 3.383 -0.133 7.048 1.00 0.00 C ATOM 293 OG SER A 19 2.252 0.195 7.851 1.00 0.00 O ATOM 0 H SER A 19 1.396 -0.719 5.768 1.00 0.00 H new ATOM 0 HA SER A 19 4.027 -1.703 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.286 -0.112 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.509 0.615 6.266 1.00 0.00 H new ATOM 0 HG SER A 19 2.227 -0.391 8.636 1.00 0.00 H new ATOM 299 N ASP A 20 2.108 -3.039 7.941 1.00 0.00 N ATOM 300 CA ASP A 20 2.023 -4.017 9.003 1.00 0.00 C ATOM 301 C ASP A 20 1.464 -5.336 8.500 1.00 0.00 C ATOM 302 O ASP A 20 1.007 -6.164 9.287 1.00 0.00 O ATOM 303 CB ASP A 20 1.173 -3.474 10.157 1.00 0.00 C ATOM 304 CG ASP A 20 1.811 -2.278 10.838 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.238 -2.407 12.002 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.902 -1.198 10.207 1.00 0.00 O1- ATOM 0 H ASP A 20 1.207 -2.741 7.569 1.00 0.00 H new ATOM 0 HA ASP A 20 3.032 -4.206 9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.191 -3.191 9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.016 -4.264 10.891 1.00 0.00 H new ATOM 311 N THR A 21 1.498 -5.536 7.192 1.00 0.00 N ATOM 312 CA THR A 21 1.058 -6.788 6.619 1.00 0.00 C ATOM 313 C THR A 21 2.108 -7.861 6.865 1.00 0.00 C ATOM 314 O THR A 21 3.211 -7.796 6.333 1.00 0.00 O ATOM 315 CB THR A 21 0.785 -6.656 5.099 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.327 -5.784 4.885 1.00 0.00 O ATOM 317 CG2 THR A 21 0.492 -8.012 4.464 1.00 0.00 C ATOM 0 H THR A 21 1.825 -4.848 6.514 1.00 0.00 H new ATOM 0 HA THR A 21 0.122 -7.069 7.102 1.00 0.00 H new ATOM 0 HB THR A 21 1.680 -6.246 4.631 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.886 -6.138 4.162 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.305 -7.882 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.348 -8.672 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.387 -8.452 4.935 1.00 0.00 H new ATOM 325 N SER A 22 1.778 -8.813 7.703 1.00 0.00 N ATOM 326 CA SER A 22 2.680 -9.895 8.000 1.00 0.00 C ATOM 327 C SER A 22 2.777 -10.848 6.809 1.00 0.00 C ATOM 328 O SER A 22 1.820 -10.985 6.040 1.00 0.00 O ATOM 329 CB SER A 22 2.201 -10.634 9.241 1.00 0.00 C ATOM 330 OG SER A 22 2.013 -9.730 10.323 1.00 0.00 O ATOM 0 H SER A 22 0.885 -8.859 8.194 1.00 0.00 H new ATOM 0 HA SER A 22 3.674 -9.490 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.265 -11.150 9.025 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.928 -11.396 9.520 1.00 0.00 H new ATOM 0 HG SER A 22 1.703 -10.223 11.111 1.00 0.00 H new ATOM 336 N ILE A 23 3.932 -11.493 6.656 1.00 0.00 N ATOM 337 CA ILE A 23 4.159 -12.437 5.561 1.00 0.00 C ATOM 338 C ILE A 23 3.104 -13.547 5.583 1.00 0.00 C ATOM 339 O ILE A 23 2.679 -14.038 4.538 1.00 0.00 O ATOM 340 CB ILE A 23 5.583 -13.058 5.631 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.647 -11.955 5.707 1.00 0.00 C ATOM 342 CG2 ILE A 23 5.846 -13.968 4.429 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.625 -10.997 4.535 1.00 0.00 C ATOM 0 H ILE A 23 4.730 -11.379 7.280 1.00 0.00 H new ATOM 0 HA ILE A 23 4.076 -11.883 4.626 1.00 0.00 H new ATOM 0 HB ILE A 23 5.641 -13.664 6.535 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.504 -11.390 6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.632 -12.418 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.849 -14.389 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.114 -14.775 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.763 -13.389 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.406 -10.248 4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.799 -11.548 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.654 -10.504 4.486 1.00 0.00 H new ATOM 355 N PHE A 24 2.677 -13.922 6.788 1.00 0.00 N ATOM 356 CA PHE A 24 1.627 -14.917 6.965 1.00 0.00 C ATOM 357 C PHE A 24 0.349 -14.461 6.268 1.00 0.00 C ATOM 358 O PHE A 24 -0.275 -15.221 5.526 1.00 0.00 O ATOM 359 CB PHE A 24 1.360 -15.138 8.459 1.00 0.00 C ATOM 360 CG PHE A 24 0.288 -16.150 8.749 1.00 0.00 C ATOM 361 CD1 PHE A 24 0.409 -17.454 8.302 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.838 -15.795 9.472 1.00 0.00 C ATOM 363 CE1 PHE A 24 -0.572 -18.387 8.572 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.822 -16.722 9.743 1.00 0.00 C ATOM 365 CZ PHE A 24 -1.691 -18.020 9.292 1.00 0.00 C ATOM 0 H PHE A 24 3.047 -13.547 7.661 1.00 0.00 H new ATOM 0 HA PHE A 24 1.954 -15.857 6.521 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.285 -15.457 8.939 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.078 -14.187 8.911 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.281 -17.745 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.947 -14.781 9.828 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.464 -19.402 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.696 -16.432 10.308 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.462 -18.747 9.502 1.00 0.00 H new ATOM 375 N GLN A 25 -0.012 -13.206 6.496 1.00 0.00 N ATOM 376 CA GLN A 25 -1.203 -12.627 5.901 1.00 0.00 C ATOM 377 C GLN A 25 -1.030 -12.490 4.399 1.00 0.00 C ATOM 378 O GLN A 25 -1.931 -12.806 3.638 1.00 0.00 O ATOM 379 CB GLN A 25 -1.504 -11.260 6.523 1.00 0.00 C ATOM 380 CG GLN A 25 -1.703 -11.307 8.029 1.00 0.00 C ATOM 381 CD GLN A 25 -2.834 -12.227 8.437 1.00 0.00 C ATOM 382 OE1 GLN A 25 -3.811 -12.401 7.705 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.708 -12.829 9.603 1.00 0.00 N ATOM 0 H GLN A 25 0.510 -12.566 7.095 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.044 -13.292 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.685 -10.578 6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.401 -10.849 6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.780 -11.639 8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.907 -10.301 8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.884 -12.658 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.435 -13.466 9.929 1.00 0.00 H new ATOM 392 N LEU A 26 0.147 -12.028 3.985 1.00 0.00 N ATOM 393 CA LEU A 26 0.462 -11.874 2.566 1.00 0.00 C ATOM 394 C LEU A 26 0.292 -13.200 1.835 1.00 0.00 C ATOM 395 O LEU A 26 -0.278 -13.251 0.741 1.00 0.00 O ATOM 396 CB LEU A 26 1.891 -11.350 2.391 1.00 0.00 C ATOM 397 CG LEU A 26 2.404 -11.270 0.949 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.524 -10.360 0.110 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.844 -10.790 0.928 1.00 0.00 C ATOM 0 H LEU A 26 0.901 -11.753 4.614 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.230 -11.150 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.949 -10.355 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.564 -11.991 2.960 1.00 0.00 H new ATOM 0 HG LEU A 26 2.364 -12.269 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.909 -10.320 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.506 -10.749 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.525 -9.357 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.195 -10.738 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.905 -9.801 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.468 -11.486 1.489 1.00 0.00 H new ATOM 411 N LYS A 27 0.780 -14.268 2.454 1.00 0.00 N ATOM 412 CA LYS A 27 0.659 -15.602 1.897 1.00 0.00 C ATOM 413 C LYS A 27 -0.808 -15.947 1.689 1.00 0.00 C ATOM 414 O LYS A 27 -1.200 -16.426 0.627 1.00 0.00 O ATOM 415 CB LYS A 27 1.298 -16.625 2.837 1.00 0.00 C ATOM 416 CG LYS A 27 1.341 -18.036 2.273 1.00 0.00 C ATOM 417 CD LYS A 27 1.877 -19.038 3.287 1.00 0.00 C ATOM 418 CE LYS A 27 0.947 -19.177 4.485 1.00 0.00 C ATOM 419 NZ LYS A 27 1.338 -20.311 5.355 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.267 -14.231 3.350 1.00 0.00 H new ATOM 0 HA LYS A 27 1.175 -15.629 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.314 -16.306 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.745 -16.636 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.339 -18.334 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.968 -18.051 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.002 -20.009 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.863 -18.721 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.959 -18.253 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.076 -19.322 4.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.884 -20.208 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.034 -21.205 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.371 -20.318 5.473 1.00 0.00 H new ATOM 433 N GLU A 28 -1.613 -15.683 2.709 1.00 0.00 N ATOM 434 CA GLU A 28 -3.034 -15.956 2.656 1.00 0.00 C ATOM 435 C GLU A 28 -3.738 -15.091 1.617 1.00 0.00 C ATOM 436 O GLU A 28 -4.630 -15.563 0.920 1.00 0.00 O ATOM 437 CB GLU A 28 -3.670 -15.761 4.022 1.00 0.00 C ATOM 438 CG GLU A 28 -3.358 -16.865 5.012 1.00 0.00 C ATOM 439 CD GLU A 28 -4.284 -16.834 6.203 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.934 -16.215 7.221 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.383 -17.425 6.116 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.297 -15.276 3.589 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.153 -16.997 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.333 -14.811 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.751 -15.691 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.439 -17.832 4.515 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.327 -16.767 5.352 1.00 0.00 H new ATOM 448 N VAL A 29 -3.334 -13.827 1.515 1.00 0.00 N ATOM 449 CA VAL A 29 -3.922 -12.911 0.537 1.00 0.00 C ATOM 450 C VAL A 29 -3.758 -13.458 -0.876 1.00 0.00 C ATOM 451 O VAL A 29 -4.721 -13.530 -1.636 1.00 0.00 O ATOM 452 CB VAL A 29 -3.296 -11.489 0.618 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.827 -10.598 -0.501 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.582 -10.854 1.970 1.00 0.00 C ATOM 0 H VAL A 29 -2.604 -13.413 2.095 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.982 -12.829 0.777 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.217 -11.590 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.375 -9.609 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.576 -11.038 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.910 -10.510 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.136 -9.860 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.660 -10.774 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.156 -11.472 2.760 1.00 0.00 H new ATOM 464 N VAL A 30 -2.544 -13.868 -1.210 1.00 0.00 N ATOM 465 CA VAL A 30 -2.263 -14.416 -2.528 1.00 0.00 C ATOM 466 C VAL A 30 -2.936 -15.780 -2.702 1.00 0.00 C ATOM 467 O VAL A 30 -3.452 -16.099 -3.781 1.00 0.00 O ATOM 468 CB VAL A 30 -0.745 -14.542 -2.783 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.476 -15.107 -4.172 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.070 -13.186 -2.618 1.00 0.00 C ATOM 0 H VAL A 30 -1.738 -13.832 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.672 -13.720 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.328 -15.232 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.599 -15.187 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.930 -16.094 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.905 -14.444 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.000 -13.288 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.494 -12.479 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.232 -12.820 -1.604 1.00 0.00 H new ATOM 480 N ALA A 31 -2.947 -16.569 -1.637 1.00 0.00 N ATOM 481 CA ALA A 31 -3.581 -17.879 -1.666 1.00 0.00 C ATOM 482 C ALA A 31 -5.070 -17.747 -1.928 1.00 0.00 C ATOM 483 O ALA A 31 -5.632 -18.463 -2.748 1.00 0.00 O ATOM 484 CB ALA A 31 -3.351 -18.608 -0.360 1.00 0.00 C ATOM 0 H ALA A 31 -2.524 -16.324 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.132 -18.455 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.832 -19.585 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.281 -18.736 -0.199 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.775 -18.028 0.460 1.00 0.00 H new ATOM 490 N LYS A 32 -5.693 -16.817 -1.230 1.00 0.00 N ATOM 491 CA LYS A 32 -7.104 -16.550 -1.375 1.00 0.00 C ATOM 492 C LYS A 32 -7.373 -15.949 -2.746 1.00 0.00 C ATOM 493 O LYS A 32 -8.385 -16.243 -3.382 1.00 0.00 O ATOM 494 CB LYS A 32 -7.528 -15.578 -0.290 1.00 0.00 C ATOM 495 CG LYS A 32 -9.018 -15.390 -0.154 1.00 0.00 C ATOM 496 CD LYS A 32 -9.318 -14.234 0.777 1.00 0.00 C ATOM 497 CE LYS A 32 -8.741 -14.459 2.177 1.00 0.00 C ATOM 498 NZ LYS A 32 -9.293 -15.676 2.829 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.228 -16.224 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.671 -17.476 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.132 -15.925 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.071 -14.609 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.459 -15.201 -1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.473 -16.303 0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.906 -13.316 0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.397 -14.096 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.657 -14.546 2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.953 -13.589 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.978 -15.712 3.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.332 -15.646 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.955 -16.522 2.327 1.00 0.00 H new ATOM 512 N ARG A 33 -6.439 -15.119 -3.194 1.00 0.00 N ATOM 513 CA ARG A 33 -6.521 -14.463 -4.492 1.00 0.00 C ATOM 514 C ARG A 33 -6.617 -15.510 -5.600 1.00 0.00 C ATOM 515 O ARG A 33 -7.392 -15.368 -6.538 1.00 0.00 O ATOM 516 CB ARG A 33 -5.261 -13.601 -4.705 1.00 0.00 C ATOM 517 CG ARG A 33 -5.459 -12.328 -5.529 1.00 0.00 C ATOM 518 CD ARG A 33 -5.697 -12.605 -7.007 1.00 0.00 C ATOM 519 NE ARG A 33 -5.748 -11.360 -7.779 1.00 0.00 N ATOM 520 CZ ARG A 33 -6.000 -11.274 -9.088 1.00 0.00 C ATOM 521 NH1 ARG A 33 -6.245 -12.363 -9.802 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -6.009 -10.091 -9.681 1.00 0.00 N ATOM 0 H ARG A 33 -5.600 -14.881 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.409 -13.832 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.865 -13.322 -3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.503 -14.213 -5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.306 -11.771 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.580 -11.692 -5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.902 -13.243 -7.393 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.632 -13.151 -7.131 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.577 -10.489 -7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.242 -13.279 -9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.436 -12.286 -10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.824 -9.247 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.201 -10.023 -10.680 1.00 0.00 H new ATOM 536 N GLN A 34 -5.825 -16.562 -5.467 1.00 0.00 N ATOM 537 CA GLN A 34 -5.770 -17.628 -6.462 1.00 0.00 C ATOM 538 C GLN A 34 -6.754 -18.751 -6.150 1.00 0.00 C ATOM 539 O GLN A 34 -7.031 -19.596 -7.002 1.00 0.00 O ATOM 540 CB GLN A 34 -4.355 -18.190 -6.533 1.00 0.00 C ATOM 541 CG GLN A 34 -3.314 -17.179 -6.975 1.00 0.00 C ATOM 542 CD GLN A 34 -3.509 -16.740 -8.405 1.00 0.00 C ATOM 543 OE1 GLN A 34 -4.250 -15.672 -8.598 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -2.991 -17.359 -9.331 1.00 0.00 N flip ATOM 0 H GLN A 34 -5.203 -16.703 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.051 -17.199 -7.424 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.078 -18.577 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.344 -19.034 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.357 -16.308 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.320 -17.612 -6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.423 -18.184 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.129 -17.048 -10.293 1.00 0.00 H new ATOM 553 N GLY A 35 -7.270 -18.763 -4.938 1.00 0.00 N ATOM 554 CA GLY A 35 -8.176 -19.817 -4.536 1.00 0.00 C ATOM 555 C GLY A 35 -7.437 -21.115 -4.304 1.00 0.00 C ATOM 556 O GLY A 35 -7.853 -22.178 -4.776 1.00 0.00 O ATOM 0 H GLY A 35 -7.080 -18.062 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.697 -19.524 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.935 -19.960 -5.305 1.00 0.00 H new ATOM 560 N VAL A 36 -6.324 -21.025 -3.593 1.00 0.00 N ATOM 561 CA VAL A 36 -5.482 -22.176 -3.305 1.00 0.00 C ATOM 562 C VAL A 36 -5.217 -22.277 -1.802 1.00 0.00 C ATOM 563 O VAL A 36 -5.358 -21.285 -1.079 1.00 0.00 O ATOM 564 CB VAL A 36 -4.126 -22.087 -4.060 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.347 -22.044 -5.566 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.328 -20.871 -3.599 1.00 0.00 C ATOM 0 H VAL A 36 -5.978 -20.150 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.013 -23.065 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.550 -22.982 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.384 -21.982 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.867 -22.948 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.948 -21.171 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.383 -20.829 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.900 -19.964 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.130 -20.950 -2.530 1.00 0.00 H new ATOM 576 N PRO A 37 -4.857 -23.476 -1.303 1.00 0.00 N ATOM 577 CA PRO A 37 -4.542 -23.675 0.114 1.00 0.00 C ATOM 578 C PRO A 37 -3.265 -22.935 0.522 1.00 0.00 C ATOM 579 O PRO A 37 -2.184 -23.188 -0.015 1.00 0.00 O ATOM 580 CB PRO A 37 -4.346 -25.192 0.235 1.00 0.00 C ATOM 581 CG PRO A 37 -4.011 -25.647 -1.142 1.00 0.00 C ATOM 582 CD PRO A 37 -4.749 -24.732 -2.073 1.00 0.00 C ATOM 0 HA PRO A 37 -5.325 -23.288 0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.546 -25.432 0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.249 -25.679 0.603 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.936 -25.598 -1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.312 -26.683 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.206 -24.586 -3.007 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.730 -25.129 -2.333 1.00 0.00 H new ATOM 590 N ALA A 38 -3.398 -22.027 1.476 1.00 0.00 N ATOM 591 CA ALA A 38 -2.274 -21.227 1.943 1.00 0.00 C ATOM 592 C ALA A 38 -1.319 -22.046 2.802 1.00 0.00 C ATOM 593 O ALA A 38 -0.168 -21.665 2.997 1.00 0.00 O ATOM 594 CB ALA A 38 -2.775 -20.021 2.719 1.00 0.00 C ATOM 0 H ALA A 38 -4.280 -21.824 1.946 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.722 -20.887 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.925 -19.431 3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.405 -19.409 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.355 -20.357 3.579 1.00 0.00 H new ATOM 600 N ASP A 39 -1.803 -23.163 3.311 1.00 0.00 N ATOM 601 CA ASP A 39 -0.992 -24.033 4.157 1.00 0.00 C ATOM 602 C ASP A 39 0.205 -24.588 3.396 1.00 0.00 C ATOM 603 O ASP A 39 1.323 -24.586 3.896 1.00 0.00 O ATOM 604 CB ASP A 39 -1.830 -25.183 4.703 1.00 0.00 C ATOM 605 CG ASP A 39 -1.025 -26.105 5.593 1.00 0.00 C ATOM 606 OD1 ASP A 39 -0.552 -27.150 5.106 1.00 0.00 O ATOM 607 OD2 ASP A 39 -0.866 -25.789 6.790 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.755 -23.494 3.156 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.624 -23.431 4.988 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.672 -24.781 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.245 -25.754 3.873 1.00 0.00 H new ATOM 612 N GLN A 40 -0.037 -25.044 2.182 1.00 0.00 N ATOM 613 CA GLN A 40 1.012 -25.624 1.356 1.00 0.00 C ATOM 614 C GLN A 40 1.556 -24.609 0.361 1.00 0.00 C ATOM 615 O GLN A 40 2.165 -24.972 -0.643 1.00 0.00 O ATOM 616 CB GLN A 40 0.490 -26.859 0.629 1.00 0.00 C ATOM 617 CG GLN A 40 0.384 -28.088 1.515 1.00 0.00 C ATOM 618 CD GLN A 40 1.741 -28.688 1.848 1.00 0.00 C ATOM 619 OE1 GLN A 40 2.383 -28.317 2.835 1.00 0.00 O ATOM 620 NE2 GLN A 40 2.190 -29.606 1.021 1.00 0.00 N ATOM 0 H GLN A 40 -0.956 -25.025 1.741 1.00 0.00 H new ATOM 0 HA GLN A 40 1.832 -25.921 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.492 -26.637 0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.149 -27.082 -0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.128 -27.822 2.440 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.229 -28.839 1.016 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.629 -29.886 0.216 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.099 -30.039 1.184 1.00 0.00 H new ATOM 629 N LEU A 41 1.349 -23.343 0.646 1.00 0.00 N ATOM 630 CA LEU A 41 1.839 -22.290 -0.213 1.00 0.00 C ATOM 631 C LEU A 41 3.160 -21.758 0.328 1.00 0.00 C ATOM 632 O LEU A 41 3.304 -21.548 1.534 1.00 0.00 O ATOM 633 CB LEU A 41 0.815 -21.162 -0.317 1.00 0.00 C ATOM 634 CG LEU A 41 1.110 -20.108 -1.376 1.00 0.00 C ATOM 635 CD1 LEU A 41 1.098 -20.735 -2.758 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.105 -18.975 -1.299 1.00 0.00 C ATOM 0 H LEU A 41 0.843 -23.017 1.469 1.00 0.00 H new ATOM 0 HA LEU A 41 2.001 -22.697 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.162 -21.599 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.743 -20.669 0.652 1.00 0.00 H new ATOM 0 HG LEU A 41 2.102 -19.697 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.310 -19.971 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.858 -21.515 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.117 -21.170 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.334 -18.233 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.899 -19.367 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.156 -18.509 -0.315 1.00 0.00 H new ATOM 648 N ARG A 42 4.121 -21.550 -0.551 1.00 0.00 N ATOM 649 CA ARG A 42 5.426 -21.084 -0.134 1.00 0.00 C ATOM 650 C ARG A 42 5.822 -19.812 -0.865 1.00 0.00 C ATOM 651 O ARG A 42 5.703 -19.718 -2.086 1.00 0.00 O ATOM 652 CB ARG A 42 6.474 -22.176 -0.359 1.00 0.00 C ATOM 653 CG ARG A 42 7.860 -21.830 0.174 1.00 0.00 C ATOM 654 CD ARG A 42 7.811 -21.424 1.647 1.00 0.00 C ATOM 655 NE ARG A 42 6.996 -22.342 2.457 1.00 0.00 N ATOM 656 CZ ARG A 42 6.881 -22.278 3.787 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.599 -21.397 4.478 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 6.064 -23.105 4.429 1.00 0.00 N ATOM 0 H ARG A 42 4.022 -21.696 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 42 5.375 -20.853 0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.133 -23.095 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.548 -22.379 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.521 -22.688 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.284 -21.016 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.825 -21.395 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.407 -20.415 1.729 1.00 0.00 H new ATOM 0 HE ARG A 42 6.484 -23.078 1.971 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.239 -20.768 3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.509 -21.350 5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.521 -23.793 3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.980 -23.052 5.444 1.00 0.00 H new ATOM 672 N VAL A 43 6.287 -18.834 -0.107 1.00 0.00 N ATOM 673 CA VAL A 43 6.730 -17.578 -0.675 1.00 0.00 C ATOM 674 C VAL A 43 8.249 -17.569 -0.842 1.00 0.00 C ATOM 675 O VAL A 43 8.989 -17.974 0.061 1.00 0.00 O ATOM 676 CB VAL A 43 6.282 -16.361 0.186 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.764 -16.280 0.248 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.866 -16.437 1.595 1.00 0.00 C ATOM 0 H VAL A 43 6.367 -18.889 0.908 1.00 0.00 H new ATOM 0 HA VAL A 43 6.261 -17.485 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 43 6.662 -15.457 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.470 -15.423 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.364 -16.166 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.369 -17.193 0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.536 -15.574 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.525 -17.351 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.955 -16.441 1.538 1.00 0.00 H new ATOM 688 N ILE A 44 8.703 -17.135 -2.004 1.00 0.00 N ATOM 689 CA ILE A 44 10.123 -17.075 -2.308 1.00 0.00 C ATOM 690 C ILE A 44 10.517 -15.653 -2.700 1.00 0.00 C ATOM 691 O ILE A 44 9.909 -15.041 -3.583 1.00 0.00 O ATOM 692 CB ILE A 44 10.500 -18.050 -3.458 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.151 -19.500 -3.082 1.00 0.00 C ATOM 694 CG2 ILE A 44 11.984 -17.930 -3.811 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.908 -20.029 -1.876 1.00 0.00 C ATOM 0 H ILE A 44 8.100 -16.815 -2.762 1.00 0.00 H new ATOM 0 HA ILE A 44 10.665 -17.374 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 44 9.917 -17.774 -4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.081 -19.565 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.355 -20.145 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.223 -18.622 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.201 -16.911 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.587 -18.171 -2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.604 -21.057 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.979 -20.000 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.685 -19.411 -1.007 1.00 0.00 H new ATOM 707 N PHE A 45 11.522 -15.133 -2.039 1.00 0.00 N ATOM 708 CA PHE A 45 11.990 -13.793 -2.296 1.00 0.00 C ATOM 709 C PHE A 45 13.510 -13.760 -2.271 1.00 0.00 C ATOM 710 O PHE A 45 14.120 -14.192 -1.305 1.00 0.00 O ATOM 711 CB PHE A 45 11.422 -12.836 -1.243 1.00 0.00 C ATOM 712 CG PHE A 45 11.801 -11.402 -1.459 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.115 -10.627 -2.375 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.841 -10.829 -0.746 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.457 -9.309 -2.577 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.189 -9.511 -0.944 1.00 0.00 C ATOM 717 CZ PHE A 45 12.495 -8.750 -1.861 1.00 0.00 C ATOM 0 H PHE A 45 12.038 -15.625 -1.309 1.00 0.00 H new ATOM 0 HA PHE A 45 11.650 -13.477 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.335 -12.918 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.768 -13.149 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.302 -11.060 -2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.385 -11.422 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.913 -8.713 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.002 -9.075 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.764 -7.716 -2.019 1.00 0.00 H new ATOM 727 N ALA A 46 14.110 -13.283 -3.360 1.00 0.00 N ATOM 728 CA ALA A 46 15.573 -13.160 -3.474 1.00 0.00 C ATOM 729 C ALA A 46 16.281 -14.510 -3.290 1.00 0.00 C ATOM 730 O ALA A 46 17.463 -14.560 -2.934 1.00 0.00 O ATOM 731 CB ALA A 46 16.103 -12.132 -2.473 1.00 0.00 C ATOM 0 H ALA A 46 13.604 -12.970 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 46 15.794 -12.815 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.186 -12.054 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.649 -11.161 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.852 -12.447 -1.460 1.00 0.00 H new ATOM 737 N GLY A 47 15.560 -15.594 -3.547 1.00 0.00 N ATOM 738 CA GLY A 47 16.137 -16.918 -3.421 1.00 0.00 C ATOM 739 C GLY A 47 15.993 -17.507 -2.026 1.00 0.00 C ATOM 740 O GLY A 47 16.625 -18.517 -1.702 1.00 0.00 O ATOM 0 H GLY A 47 14.583 -15.579 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.661 -17.584 -4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.195 -16.872 -3.681 1.00 0.00 H new ATOM 744 N LYS A 48 15.175 -16.887 -1.203 1.00 0.00 N ATOM 745 CA LYS A 48 14.943 -17.375 0.144 1.00 0.00 C ATOM 746 C LYS A 48 13.459 -17.396 0.441 1.00 0.00 C ATOM 747 O LYS A 48 12.652 -16.941 -0.364 1.00 0.00 O ATOM 748 CB LYS A 48 15.647 -16.488 1.166 1.00 0.00 C ATOM 749 CG LYS A 48 14.997 -15.133 1.345 1.00 0.00 C ATOM 750 CD LYS A 48 15.574 -14.401 2.521 1.00 0.00 C ATOM 751 CE LYS A 48 17.008 -13.966 2.262 1.00 0.00 C ATOM 752 NZ LYS A 48 17.527 -13.095 3.345 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.657 -16.041 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 48 15.345 -18.386 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.667 -17.002 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.683 -16.346 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.135 -14.539 0.441 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.923 -15.258 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.962 -13.526 2.741 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.541 -15.043 3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.643 -14.847 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.060 -13.434 1.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.507 -12.821 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.937 -12.242 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.502 -13.611 4.248 1.00 0.00 H new ATOM 766 N GLU A 49 13.103 -17.914 1.591 1.00 0.00 N ATOM 767 CA GLU A 49 11.727 -17.915 2.021 1.00 0.00 C ATOM 768 C GLU A 49 11.611 -17.127 3.308 1.00 0.00 C ATOM 769 O GLU A 49 12.357 -17.360 4.262 1.00 0.00 O ATOM 770 CB GLU A 49 11.184 -19.340 2.200 1.00 0.00 C ATOM 771 CG GLU A 49 11.979 -20.198 3.160 1.00 0.00 C ATOM 772 CD GLU A 49 11.268 -21.476 3.514 1.00 0.00 C ATOM 773 OE1 GLU A 49 11.370 -22.456 2.749 1.00 0.00 O ATOM 774 OE2 GLU A 49 10.599 -21.513 4.567 1.00 0.00 O1- ATOM 0 H GLU A 49 13.753 -18.343 2.250 1.00 0.00 H new ATOM 0 HA GLU A 49 11.120 -17.444 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.154 -19.281 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.161 -19.831 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.946 -20.435 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.177 -19.632 4.070 1.00 0.00 H new ATOM 781 N LEU A 50 10.709 -16.182 3.324 1.00 0.00 N ATOM 782 CA LEU A 50 10.529 -15.329 4.480 1.00 0.00 C ATOM 783 C LEU A 50 9.794 -16.061 5.587 1.00 0.00 C ATOM 784 O LEU A 50 9.118 -17.069 5.342 1.00 0.00 O ATOM 785 CB LEU A 50 9.750 -14.070 4.095 1.00 0.00 C ATOM 786 CG LEU A 50 10.251 -13.336 2.850 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.386 -12.128 2.558 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.710 -12.927 3.006 1.00 0.00 C ATOM 0 H LEU A 50 10.081 -15.979 2.546 1.00 0.00 H new ATOM 0 HA LEU A 50 11.517 -15.046 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.707 -14.344 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.774 -13.378 4.937 1.00 0.00 H new ATOM 0 HG LEU A 50 10.182 -14.021 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.759 -11.620 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.358 -12.449 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.417 -11.444 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.040 -12.407 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.812 -12.265 3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.323 -13.816 3.157 1.00 0.00 H new ATOM 800 N ARG A 51 9.944 -15.569 6.801 1.00 0.00 N ATOM 801 CA ARG A 51 9.234 -16.123 7.935 1.00 0.00 C ATOM 802 C ARG A 51 7.834 -15.533 7.987 1.00 0.00 C ATOM 803 O ARG A 51 7.651 -14.337 7.757 1.00 0.00 O ATOM 804 CB ARG A 51 9.987 -15.887 9.267 1.00 0.00 C ATOM 805 CG ARG A 51 10.269 -14.424 9.629 1.00 0.00 C ATOM 806 CD ARG A 51 11.494 -13.880 8.907 1.00 0.00 C ATOM 807 NE ARG A 51 11.993 -12.649 9.518 1.00 0.00 N ATOM 808 CZ ARG A 51 12.775 -11.758 8.899 1.00 0.00 C ATOM 809 NH1 ARG A 51 13.109 -11.922 7.623 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.217 -10.700 9.559 1.00 0.00 N ATOM 0 H ARG A 51 10.554 -14.783 7.027 1.00 0.00 H new ATOM 0 HA ARG A 51 9.169 -17.203 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.407 -16.335 10.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.937 -16.420 9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.401 -13.815 9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.416 -14.340 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.282 -14.633 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.244 -13.690 7.863 1.00 0.00 H new ATOM 0 HE ARG A 51 11.726 -12.456 10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.768 -12.733 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.706 -11.237 7.160 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.961 -10.566 10.537 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.814 -10.019 9.090 1.00 0.00 H new ATOM 824 N ASN A 52 6.852 -16.365 8.286 1.00 0.00 N ATOM 825 CA ASN A 52 5.452 -15.933 8.269 1.00 0.00 C ATOM 826 C ASN A 52 5.150 -14.921 9.371 1.00 0.00 C ATOM 827 O ASN A 52 4.283 -14.056 9.212 1.00 0.00 O ATOM 828 CB ASN A 52 4.498 -17.139 8.372 1.00 0.00 C ATOM 829 CG ASN A 52 4.500 -17.804 9.746 1.00 0.00 C ATOM 830 OD1 ASN A 52 5.300 -18.692 10.012 1.00 0.00 O ATOM 831 ND2 ASN A 52 3.592 -17.384 10.614 1.00 0.00 N ATOM 0 H ASN A 52 6.990 -17.342 8.544 1.00 0.00 H new ATOM 0 HA ASN A 52 5.286 -15.438 7.312 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.485 -16.811 8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.776 -17.877 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.542 -17.803 11.543 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.943 -16.641 10.354 1.00 0.00 H new ATOM 838 N ASP A 53 5.873 -15.010 10.467 1.00 0.00 N ATOM 839 CA ASP A 53 5.626 -14.143 11.604 1.00 0.00 C ATOM 840 C ASP A 53 6.519 -12.907 11.556 1.00 0.00 C ATOM 841 O ASP A 53 7.372 -12.698 12.422 1.00 0.00 O ATOM 842 CB ASP A 53 5.814 -14.909 12.919 1.00 0.00 C ATOM 843 CG ASP A 53 5.379 -14.108 14.129 1.00 0.00 C ATOM 844 OD1 ASP A 53 4.228 -13.617 14.140 1.00 0.00 O ATOM 845 OD2 ASP A 53 6.179 -13.975 15.082 1.00 0.00 O1- ATOM 0 H ASP A 53 6.637 -15.673 10.597 1.00 0.00 H new ATOM 0 HA ASP A 53 4.591 -13.805 11.554 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.244 -15.837 12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.863 -15.184 13.028 1.00 0.00 H new ATOM 850 N TRP A 54 6.338 -12.110 10.520 1.00 0.00 N ATOM 851 CA TRP A 54 7.093 -10.875 10.354 1.00 0.00 C ATOM 852 C TRP A 54 6.405 -9.966 9.336 1.00 0.00 C ATOM 853 O TRP A 54 5.620 -10.436 8.516 1.00 0.00 O ATOM 854 CB TRP A 54 8.529 -11.188 9.917 1.00 0.00 C ATOM 855 CG TRP A 54 9.459 -10.024 10.044 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.201 -9.460 9.054 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.740 -9.276 11.233 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.935 -8.417 9.554 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.668 -8.280 10.887 1.00 0.00 C ATOM 860 CE3 TRP A 54 9.297 -9.356 12.556 1.00 0.00 C ATOM 861 CZ2 TRP A 54 11.161 -7.370 11.811 1.00 0.00 C ATOM 862 CZ3 TRP A 54 9.787 -8.450 13.473 1.00 0.00 C ATOM 863 CH2 TRP A 54 10.710 -7.469 13.096 1.00 0.00 C ATOM 0 H TRP A 54 5.669 -12.295 9.773 1.00 0.00 H new ATOM 0 HA TRP A 54 7.129 -10.353 11.310 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.911 -12.015 10.516 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.520 -11.524 8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.210 -9.786 8.025 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.578 -7.835 9.017 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.586 -10.112 12.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.875 -6.612 11.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.453 -8.499 14.499 1.00 0.00 H new ATOM 0 HH2 TRP A 54 11.074 -6.774 13.838 1.00 0.00 H new ATOM 874 N THR A 55 6.697 -8.670 9.400 1.00 0.00 N ATOM 875 CA THR A 55 6.091 -7.690 8.502 1.00 0.00 C ATOM 876 C THR A 55 6.753 -7.687 7.118 1.00 0.00 C ATOM 877 O THR A 55 7.969 -7.864 6.988 1.00 0.00 O ATOM 878 CB THR A 55 6.126 -6.258 9.104 1.00 0.00 C ATOM 879 OG1 THR A 55 5.820 -5.287 8.088 1.00 0.00 O ATOM 880 CG2 THR A 55 7.487 -5.948 9.722 1.00 0.00 C ATOM 0 H THR A 55 7.355 -8.271 10.070 1.00 0.00 H new ATOM 0 HA THR A 55 5.051 -7.993 8.382 1.00 0.00 H new ATOM 0 HB THR A 55 5.375 -6.208 9.892 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.237 -4.594 8.463 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.478 -4.939 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.697 -6.663 10.518 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.259 -6.020 8.956 1.00 0.00 H new ATOM 888 N VAL A 56 5.934 -7.467 6.094 1.00 0.00 N ATOM 889 CA VAL A 56 6.384 -7.459 4.713 1.00 0.00 C ATOM 890 C VAL A 56 7.202 -6.206 4.400 1.00 0.00 C ATOM 891 O VAL A 56 8.093 -6.229 3.545 1.00 0.00 O ATOM 892 CB VAL A 56 5.173 -7.550 3.735 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.278 -6.325 3.850 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.635 -7.741 2.302 1.00 0.00 C ATOM 0 H VAL A 56 4.936 -7.289 6.203 1.00 0.00 H new ATOM 0 HA VAL A 56 7.021 -8.333 4.576 1.00 0.00 H new ATOM 0 HB VAL A 56 4.589 -8.425 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.443 -6.418 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.897 -6.247 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.852 -5.431 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.767 -7.801 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.258 -6.897 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.212 -8.662 2.226 1.00 0.00 H new ATOM 904 N GLN A 57 6.920 -5.123 5.111 1.00 0.00 N ATOM 905 CA GLN A 57 7.601 -3.866 4.861 1.00 0.00 C ATOM 906 C GLN A 57 9.054 -3.936 5.317 1.00 0.00 C ATOM 907 O GLN A 57 9.940 -3.383 4.676 1.00 0.00 O ATOM 908 CB GLN A 57 6.871 -2.704 5.547 1.00 0.00 C ATOM 909 CG GLN A 57 7.463 -1.329 5.243 1.00 0.00 C ATOM 910 CD GLN A 57 7.422 -0.982 3.761 1.00 0.00 C ATOM 911 OE1 GLN A 57 8.350 -1.287 3.011 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.355 -0.332 3.335 1.00 0.00 N ATOM 0 H GLN A 57 6.229 -5.092 5.860 1.00 0.00 H new ATOM 0 HA GLN A 57 7.592 -3.685 3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.825 -2.714 5.239 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.887 -2.865 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.916 -0.571 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.496 -1.299 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.607 -0.097 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.279 -0.065 2.354 1.00 0.00 H new ATOM 921 N ASN A 58 9.296 -4.647 6.408 1.00 0.00 N ATOM 922 CA ASN A 58 10.647 -4.768 6.943 1.00 0.00 C ATOM 923 C ASN A 58 11.456 -5.785 6.144 1.00 0.00 C ATOM 924 O ASN A 58 12.683 -5.802 6.199 1.00 0.00 O ATOM 925 CB ASN A 58 10.612 -5.144 8.424 1.00 0.00 C ATOM 926 CG ASN A 58 11.969 -5.034 9.094 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.722 -6.003 9.167 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.292 -3.851 9.581 1.00 0.00 N ATOM 0 H ASN A 58 8.582 -5.146 6.938 1.00 0.00 H new ATOM 0 HA ASN A 58 11.137 -3.799 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.904 -4.497 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.244 -6.165 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.194 -3.716 10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.640 -3.071 9.501 1.00 0.00 H new ATOM 935 N CYS A 59 10.757 -6.633 5.398 1.00 0.00 N ATOM 936 CA CYS A 59 11.415 -7.609 4.543 1.00 0.00 C ATOM 937 C CYS A 59 11.815 -6.953 3.222 1.00 0.00 C ATOM 938 O CYS A 59 12.698 -7.443 2.514 1.00 0.00 O ATOM 939 CB CYS A 59 10.499 -8.804 4.283 1.00 0.00 C ATOM 940 SG CYS A 59 9.978 -9.687 5.768 1.00 0.00 S ATOM 0 H CYS A 59 9.738 -6.663 5.369 1.00 0.00 H new ATOM 0 HA CYS A 59 12.310 -7.969 5.049 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.612 -8.457 3.752 1.00 0.00 H new ATOM 0 HB3 CYS A 59 11.013 -9.502 3.622 1.00 0.00 H new ATOM 0 HG CYS A 59 9.185 -8.930 6.467 1.00 0.00 H new ATOM 946 N ASP A 60 11.148 -5.831 2.914 1.00 0.00 N ATOM 947 CA ASP A 60 11.411 -5.030 1.706 1.00 0.00 C ATOM 948 C ASP A 60 11.226 -5.833 0.431 1.00 0.00 C ATOM 949 O ASP A 60 12.192 -6.168 -0.252 1.00 0.00 O ATOM 950 CB ASP A 60 12.813 -4.413 1.738 1.00 0.00 C ATOM 951 CG ASP A 60 12.998 -3.427 2.864 1.00 0.00 C ATOM 952 OD1 ASP A 60 12.696 -2.234 2.668 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.460 -3.836 3.952 1.00 0.00 O1- ATOM 0 H ASP A 60 10.405 -5.450 3.500 1.00 0.00 H new ATOM 0 HA ASP A 60 10.674 -4.227 1.705 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.552 -5.209 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.005 -3.912 0.789 1.00 0.00 H new ATOM 958 N LEU A 61 9.982 -6.135 0.102 1.00 0.00 N ATOM 959 CA LEU A 61 9.681 -6.904 -1.101 1.00 0.00 C ATOM 960 C LEU A 61 9.564 -6.007 -2.322 1.00 0.00 C ATOM 961 O LEU A 61 9.314 -6.481 -3.424 1.00 0.00 O ATOM 962 CB LEU A 61 8.401 -7.736 -0.932 1.00 0.00 C ATOM 963 CG LEU A 61 8.548 -9.048 -0.145 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.914 -8.779 1.298 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.275 -9.871 -0.233 1.00 0.00 C ATOM 0 H LEU A 61 9.164 -5.862 0.647 1.00 0.00 H new ATOM 0 HA LEU A 61 10.516 -7.587 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.654 -7.119 -0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.011 -7.971 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 61 9.359 -9.621 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.011 -9.725 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.861 -8.240 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.134 -8.178 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.400 -10.796 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.444 -9.302 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.066 -10.107 -1.276 1.00 0.00 H new ATOM 977 N ASP A 62 9.762 -4.718 -2.124 1.00 0.00 N ATOM 978 CA ASP A 62 9.674 -3.760 -3.214 1.00 0.00 C ATOM 979 C ASP A 62 11.051 -3.495 -3.805 1.00 0.00 C ATOM 980 O ASP A 62 11.189 -2.756 -4.779 1.00 0.00 O ATOM 981 CB ASP A 62 9.043 -2.449 -2.730 1.00 0.00 C ATOM 982 CG ASP A 62 9.935 -1.678 -1.774 1.00 0.00 C ATOM 983 OD1 ASP A 62 10.359 -2.252 -0.751 1.00 0.00 O ATOM 984 OD2 ASP A 62 10.199 -0.479 -2.038 1.00 0.00 O1- ATOM 0 H ASP A 62 9.985 -4.307 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 62 9.038 -4.185 -3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.816 -1.822 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.096 -2.668 -2.237 1.00 0.00 H new ATOM 989 N GLN A 63 12.068 -4.103 -3.208 1.00 0.00 N ATOM 990 CA GLN A 63 13.440 -3.949 -3.688 1.00 0.00 C ATOM 991 C GLN A 63 13.692 -4.815 -4.915 1.00 0.00 C ATOM 992 O GLN A 63 14.368 -4.396 -5.855 1.00 0.00 O ATOM 993 CB GLN A 63 14.445 -4.272 -2.584 1.00 0.00 C ATOM 994 CG GLN A 63 14.405 -3.295 -1.423 1.00 0.00 C ATOM 995 CD GLN A 63 14.661 -1.865 -1.858 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.736 -1.131 -2.190 1.00 0.00 O ATOM 997 NE2 GLN A 63 15.912 -1.464 -1.866 1.00 0.00 N ATOM 0 H GLN A 63 11.972 -4.707 -2.392 1.00 0.00 H new ATOM 0 HA GLN A 63 13.576 -2.907 -3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.251 -5.277 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.449 -4.279 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.432 -3.354 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.150 -3.585 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.654 -2.104 -1.583 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.141 -0.513 -2.155 1.00 0.00 H new ATOM 1006 N GLN A 64 13.145 -6.016 -4.905 1.00 0.00 N ATOM 1007 CA GLN A 64 13.272 -6.911 -6.041 1.00 0.00 C ATOM 1008 C GLN A 64 12.281 -6.510 -7.116 1.00 0.00 C ATOM 1009 O GLN A 64 11.412 -5.669 -6.881 1.00 0.00 O ATOM 1010 CB GLN A 64 13.042 -8.363 -5.619 1.00 0.00 C ATOM 1011 CG GLN A 64 14.165 -8.948 -4.778 1.00 0.00 C ATOM 1012 CD GLN A 64 15.442 -9.161 -5.566 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.291 -8.274 -5.650 1.00 0.00 O ATOM 1014 NE2 GLN A 64 15.584 -10.335 -6.152 1.00 0.00 N ATOM 0 H GLN A 64 12.609 -6.395 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 64 14.284 -6.833 -6.438 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.111 -8.424 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.915 -8.974 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.368 -8.283 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.840 -9.900 -4.358 1.00 0.00 H new ATOM 0 HE21 GLN A 64 14.856 -11.043 -6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 64 16.421 -10.534 -6.699 1.00 0.00 H new ATOM 1037 N ILE A 66 10.179 -8.692 -8.755 1.00 0.00 N ATOM 1038 CA ILE A 66 8.951 -9.423 -8.542 1.00 0.00 C ATOM 1039 C ILE A 66 9.137 -10.509 -7.477 1.00 0.00 C ATOM 1040 O ILE A 66 10.221 -11.090 -7.343 1.00 0.00 O ATOM 1041 CB ILE A 66 8.420 -10.044 -9.870 1.00 0.00 C ATOM 1042 CG1 ILE A 66 6.968 -10.481 -9.720 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.277 -11.226 -10.299 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.281 -10.766 -11.033 1.00 0.00 C ATOM 0 HA ILE A 66 8.206 -8.713 -8.183 1.00 0.00 H new ATOM 0 HB ILE A 66 8.477 -9.276 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.930 -11.376 -9.098 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.416 -9.703 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.886 -11.641 -11.228 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.303 -10.894 -10.454 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.257 -11.991 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.251 -11.071 -10.846 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.287 -9.867 -11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.808 -11.566 -11.553 1.00 0.00 H new ATOM 1056 N VAL A 67 8.093 -10.748 -6.710 1.00 0.00 N ATOM 1057 CA VAL A 67 8.099 -11.776 -5.687 1.00 0.00 C ATOM 1058 C VAL A 67 7.596 -13.083 -6.287 1.00 0.00 C ATOM 1059 O VAL A 67 6.693 -13.078 -7.131 1.00 0.00 O ATOM 1060 CB VAL A 67 7.194 -11.384 -4.497 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.352 -12.361 -3.339 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.472 -9.957 -4.049 1.00 0.00 C ATOM 0 H VAL A 67 7.214 -10.234 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 67 9.119 -11.892 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 67 6.159 -11.435 -4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.703 -12.059 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.078 -13.363 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.389 -12.361 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.822 -9.706 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.514 -9.869 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.280 -9.272 -4.875 1.00 0.00 H new ATOM 1072 N HIS A 68 8.173 -14.186 -5.867 1.00 0.00 N ATOM 1073 CA HIS A 68 7.800 -15.486 -6.397 1.00 0.00 C ATOM 1074 C HIS A 68 7.011 -16.277 -5.373 1.00 0.00 C ATOM 1075 O HIS A 68 7.395 -16.361 -4.212 1.00 0.00 O ATOM 1076 CB HIS A 68 9.046 -16.274 -6.812 1.00 0.00 C ATOM 1077 CG HIS A 68 9.760 -15.716 -8.008 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.020 -14.429 -8.340 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 10.300 -16.540 -8.965 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 10.730 -14.457 -9.510 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 10.875 -15.741 -9.847 1.00 0.00 N flip ATOM 0 H HIS A 68 8.905 -14.213 -5.158 1.00 0.00 H new ATOM 0 HA HIS A 68 7.173 -15.325 -7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.739 -16.304 -5.971 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.757 -17.303 -7.024 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.262 -17.619 -8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.102 -13.603 -10.057 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.367 -16.064 -10.680 1.00 0.00 H new ATOM 1089 N ILE A 69 5.901 -16.840 -5.796 1.00 0.00 N ATOM 1090 CA ILE A 69 5.089 -17.650 -4.917 1.00 0.00 C ATOM 1091 C ILE A 69 4.697 -18.949 -5.601 1.00 0.00 C ATOM 1092 O ILE A 69 4.065 -18.946 -6.666 1.00 0.00 O ATOM 1093 CB ILE A 69 3.824 -16.897 -4.432 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.224 -15.713 -3.543 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.892 -17.837 -3.682 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.053 -14.998 -2.911 1.00 0.00 C ATOM 0 H ILE A 69 5.540 -16.751 -6.746 1.00 0.00 H new ATOM 0 HA ILE A 69 5.693 -17.876 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 69 3.291 -16.517 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.887 -16.071 -2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.794 -15.000 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.011 -17.288 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.587 -18.649 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.410 -18.248 -2.816 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.418 -14.174 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.400 -14.608 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.495 -15.695 -2.286 1.00 0.00 H new ATOM 1108 N VAL A 70 5.085 -20.051 -4.995 1.00 0.00 N ATOM 1109 CA VAL A 70 4.812 -21.363 -5.541 1.00 0.00 C ATOM 1110 C VAL A 70 4.022 -22.206 -4.554 1.00 0.00 C ATOM 1111 O VAL A 70 4.168 -22.061 -3.336 1.00 0.00 O ATOM 1112 CB VAL A 70 6.117 -22.108 -5.922 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.795 -21.432 -7.103 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.069 -22.181 -4.732 1.00 0.00 C ATOM 0 H VAL A 70 5.597 -20.063 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 70 4.221 -21.214 -6.445 1.00 0.00 H new ATOM 0 HB VAL A 70 5.853 -23.125 -6.211 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.709 -21.970 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.123 -21.438 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.040 -20.403 -6.841 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.977 -22.708 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.324 -21.172 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.587 -22.715 -3.913 1.00 0.00 H new ATOM 1124 N GLN A 71 3.179 -23.067 -5.074 1.00 0.00 N ATOM 1125 CA GLN A 71 2.396 -23.956 -4.247 1.00 0.00 C ATOM 1126 C GLN A 71 3.078 -25.313 -4.191 1.00 0.00 C ATOM 1127 O GLN A 71 3.647 -25.767 -5.184 1.00 0.00 O ATOM 1128 CB GLN A 71 0.982 -24.098 -4.808 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.012 -24.684 -3.820 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.380 -24.929 -4.427 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -1.718 -24.181 -5.462 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -2.117 -25.793 -3.978 1.00 0.00 N flip ATOM 0 H GLN A 71 3.017 -23.171 -6.076 1.00 0.00 H new ATOM 0 HA GLN A 71 2.323 -23.543 -3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.628 -23.118 -5.128 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.015 -24.730 -5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.381 -25.624 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.113 -24.008 -2.971 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.820 -26.351 -3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.029 -25.957 -4.404 1.00 0.00 H new