USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=9 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 -146:sc= -0.619 (180deg=-1.66) USER MOD Single : A 1 MET N :NH3+ -141:sc= 2.42 (180deg=1.17) USER MOD Single : A 8 ASN : amide:sc= -0.484 K(o=-0.48,f=-12!) USER MOD Single : A 19 SER OG : rot 73:sc= 0.0679 USER MOD Single : A 21 THR OG1 : rot -136:sc= 0.771 USER MOD Single : A 22 SER OG : rot 23:sc= 0.267 USER MOD Single : A 25 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.31) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0.511 (180deg=0.34) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0207 X(o=-0.021,f=0.089) USER MOD Single : A 40 GLN : amide:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.277 K(o=0.28,f=-0.34) USER MOD Single : A 58 ASN : amide:sc= 0.187 K(o=0.19,f=-2.8!) USER MOD Single : A 59 CYS SG : rot -28:sc= 0.0615 USER MOD Single : A 63 GLN : amide:sc= 0.484 K(o=0.48,f=-0.4) USER MOD Single : A 64 GLN : amide:sc= -0.181 K(o=-0.18,f=-0.76) USER MOD Single : A 68 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.29) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.121 F(o=-1.8!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.090 -0.744 0.434 1.00 0.00 N ATOM 2 CA MET A 1 2.517 -0.469 -0.950 1.00 0.00 C ATOM 3 C MET A 1 2.176 -1.651 -1.839 1.00 0.00 C ATOM 4 O MET A 1 1.751 -2.699 -1.352 1.00 0.00 O ATOM 5 CB MET A 1 4.030 -0.182 -1.016 1.00 0.00 C ATOM 6 CG MET A 1 4.925 -1.399 -0.789 1.00 0.00 C ATOM 7 SD MET A 1 4.772 -2.099 0.869 1.00 0.00 S ATOM 8 CE MET A 1 6.011 -3.394 0.793 1.00 0.00 C ATOM 0 H1 MET A 1 1.700 0.123 0.856 1.00 0.00 H new ATOM 0 H2 MET A 1 1.361 -1.486 0.432 1.00 0.00 H new ATOM 0 H3 MET A 1 2.907 -1.063 0.993 1.00 0.00 H new ATOM 0 HA MET A 1 1.986 0.416 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.262 0.245 -1.992 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.275 0.575 -0.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.678 -2.165 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.963 -1.115 -0.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.683 -4.247 1.387 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.149 -3.705 -0.243 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.955 -3.018 1.188 1.00 0.00 H new ATOM 20 N ILE A 2 2.358 -1.487 -3.133 1.00 0.00 N ATOM 21 CA ILE A 2 2.066 -2.547 -4.076 1.00 0.00 C ATOM 22 C ILE A 2 3.340 -3.312 -4.415 1.00 0.00 C ATOM 23 O ILE A 2 4.326 -2.721 -4.848 1.00 0.00 O ATOM 24 CB ILE A 2 1.419 -2.003 -5.392 1.00 0.00 C ATOM 25 CG1 ILE A 2 -0.017 -1.505 -5.147 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.421 -3.067 -6.482 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.113 -0.213 -4.366 1.00 0.00 C ATOM 0 H ILE A 2 2.708 -0.628 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 2 1.347 -3.213 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 2 2.023 -1.159 -5.725 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.509 -1.369 -6.110 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.569 -2.278 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.966 -2.663 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.447 -3.367 -6.695 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.852 -3.934 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.161 0.060 -4.242 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.346 -0.345 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.407 0.578 -4.906 1.00 0.00 H new ATOM 39 N VAL A 3 3.321 -4.609 -4.187 1.00 0.00 N ATOM 40 CA VAL A 3 4.456 -5.453 -4.511 1.00 0.00 C ATOM 41 C VAL A 3 4.093 -6.376 -5.658 1.00 0.00 C ATOM 42 O VAL A 3 2.917 -6.514 -5.998 1.00 0.00 O ATOM 43 CB VAL A 3 4.934 -6.295 -3.295 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.349 -5.397 -2.145 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.864 -7.277 -2.842 1.00 0.00 C ATOM 0 H VAL A 3 2.529 -5.105 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 3 5.279 -4.798 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 3 5.802 -6.870 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.679 -6.009 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.165 -4.749 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.501 -4.786 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.232 -7.849 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.967 -6.730 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.625 -7.957 -3.660 1.00 0.00 H new ATOM 55 N PHE A 4 5.078 -6.996 -6.254 1.00 0.00 N ATOM 56 CA PHE A 4 4.837 -7.890 -7.366 1.00 0.00 C ATOM 57 C PHE A 4 5.130 -9.320 -6.980 1.00 0.00 C ATOM 58 O PHE A 4 6.127 -9.603 -6.303 1.00 0.00 O ATOM 59 CB PHE A 4 5.672 -7.481 -8.583 1.00 0.00 C ATOM 60 CG PHE A 4 5.133 -6.275 -9.301 1.00 0.00 C ATOM 61 CD1 PHE A 4 5.297 -5.004 -8.778 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.458 -6.420 -10.499 1.00 0.00 C ATOM 63 CE1 PHE A 4 4.797 -3.899 -9.436 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.956 -5.320 -11.164 1.00 0.00 C ATOM 65 CZ PHE A 4 4.126 -4.056 -10.631 1.00 0.00 C ATOM 0 H PHE A 4 6.059 -6.901 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 4 3.783 -7.818 -7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.693 -7.276 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.719 -8.318 -9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.823 -4.876 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.322 -7.406 -10.919 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.931 -2.913 -9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.431 -5.446 -12.099 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.734 -3.193 -11.149 1.00 0.00 H new ATOM 75 N VAL A 5 4.263 -10.226 -7.393 1.00 0.00 N ATOM 76 CA VAL A 5 4.445 -11.628 -7.094 1.00 0.00 C ATOM 77 C VAL A 5 4.205 -12.493 -8.315 1.00 0.00 C ATOM 78 O VAL A 5 3.368 -12.185 -9.162 1.00 0.00 O ATOM 79 CB VAL A 5 3.521 -12.110 -5.950 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.816 -11.359 -4.668 1.00 0.00 C ATOM 81 CG2 VAL A 5 2.063 -11.965 -6.334 1.00 0.00 C ATOM 0 H VAL A 5 3.427 -10.013 -7.936 1.00 0.00 H new ATOM 0 HA VAL A 5 5.481 -11.731 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 5 3.721 -13.168 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.155 -11.714 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.853 -11.529 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.653 -10.293 -4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.434 -12.311 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.844 -10.918 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.860 -12.562 -7.223 1.00 0.00 H new ATOM 91 N ARG A 6 4.957 -13.553 -8.402 1.00 0.00 N ATOM 92 CA ARG A 6 4.819 -14.522 -9.455 1.00 0.00 C ATOM 93 C ARG A 6 4.131 -15.739 -8.901 1.00 0.00 C ATOM 94 O ARG A 6 4.296 -16.058 -7.732 1.00 0.00 O ATOM 95 CB ARG A 6 6.189 -14.913 -10.002 1.00 0.00 C ATOM 96 CG ARG A 6 6.932 -13.779 -10.650 1.00 0.00 C ATOM 97 CD ARG A 6 8.225 -14.266 -11.276 1.00 0.00 C ATOM 98 NE ARG A 6 8.874 -13.231 -12.070 1.00 0.00 N ATOM 99 CZ ARG A 6 10.081 -13.354 -12.626 1.00 0.00 C ATOM 100 NH1 ARG A 6 10.772 -14.476 -12.481 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 10.585 -12.357 -13.338 1.00 0.00 N ATOM 0 H ARG A 6 5.695 -13.773 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 6 4.232 -14.094 -10.268 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.794 -15.313 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.064 -15.715 -10.729 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.305 -13.317 -11.413 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.149 -13.010 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.904 -14.599 -10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.019 -15.130 -11.907 1.00 0.00 H new ATOM 0 HE ARG A 6 8.372 -12.354 -12.210 1.00 0.00 H new ATOM 0 HH11 ARG A 6 10.382 -15.250 -11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 6 11.694 -14.566 -12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.051 -11.497 -13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.507 -12.450 -13.764 1.00 0.00 H new ATOM 115 N PHE A 7 3.364 -16.410 -9.716 1.00 0.00 N ATOM 116 CA PHE A 7 2.668 -17.588 -9.265 1.00 0.00 C ATOM 117 C PHE A 7 2.906 -18.725 -10.238 1.00 0.00 C ATOM 118 O PHE A 7 2.975 -18.506 -11.442 1.00 0.00 O ATOM 119 CB PHE A 7 1.173 -17.299 -9.114 1.00 0.00 C ATOM 120 CG PHE A 7 0.456 -18.275 -8.227 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.560 -18.178 -6.850 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.318 -19.285 -8.765 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.093 -19.071 -6.028 1.00 0.00 C ATOM 124 CE2 PHE A 7 -0.975 -20.181 -7.947 1.00 0.00 C ATOM 125 CZ PHE A 7 -0.861 -20.074 -6.576 1.00 0.00 C ATOM 0 H PHE A 7 3.204 -16.164 -10.693 1.00 0.00 H new ATOM 0 HA PHE A 7 3.052 -17.880 -8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.045 -16.294 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.709 -17.309 -10.100 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.160 -17.393 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.410 -19.374 -9.837 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.002 -18.984 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.578 -20.966 -8.379 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.373 -20.775 -5.934 1.00 0.00 H new ATOM 135 N ASN A 8 3.033 -19.931 -9.717 1.00 0.00 N ATOM 136 CA ASN A 8 3.310 -21.116 -10.538 1.00 0.00 C ATOM 137 C ASN A 8 2.214 -21.373 -11.584 1.00 0.00 C ATOM 138 O ASN A 8 2.460 -22.007 -12.604 1.00 0.00 O ATOM 139 CB ASN A 8 3.498 -22.354 -9.649 1.00 0.00 C ATOM 140 CG ASN A 8 2.259 -22.696 -8.840 1.00 0.00 C ATOM 141 OD1 ASN A 8 2.030 -22.135 -7.774 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.477 -23.636 -9.321 1.00 0.00 N ATOM 0 H ASN A 8 2.949 -20.126 -8.719 1.00 0.00 H new ATOM 0 HA ASN A 8 4.235 -20.919 -11.081 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.764 -23.206 -10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.333 -22.184 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.646 -23.922 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.701 -24.079 -10.212 1.00 0.00 H new ATOM 188 N GLY A 12 2.686 -13.128 -13.345 1.00 0.00 N ATOM 189 CA GLY A 12 2.995 -12.283 -12.221 1.00 0.00 C ATOM 190 C GLY A 12 1.966 -11.191 -12.076 1.00 0.00 C ATOM 191 O GLY A 12 1.498 -10.645 -13.077 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.030 -12.880 -11.310 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.984 -11.843 -12.352 1.00 0.00 H new ATOM 195 N PHE A 13 1.590 -10.885 -10.856 1.00 0.00 N ATOM 196 CA PHE A 13 0.580 -9.874 -10.610 1.00 0.00 C ATOM 197 C PHE A 13 0.937 -9.007 -9.408 1.00 0.00 C ATOM 198 O PHE A 13 1.627 -9.456 -8.489 1.00 0.00 O ATOM 199 CB PHE A 13 -0.806 -10.525 -10.428 1.00 0.00 C ATOM 200 CG PHE A 13 -0.875 -11.580 -9.350 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.358 -11.272 -8.089 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.473 -12.881 -9.608 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.437 -12.242 -7.109 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.548 -13.850 -8.632 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.031 -13.531 -7.381 1.00 0.00 C ATOM 0 H PHE A 13 1.967 -11.321 -10.015 1.00 0.00 H new ATOM 0 HA PHE A 13 0.542 -9.222 -11.483 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.531 -9.744 -10.199 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.108 -10.973 -11.375 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.676 -10.263 -7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.096 -13.138 -10.587 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.817 -11.991 -6.130 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.229 -14.859 -8.847 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.091 -14.290 -6.615 1.00 0.00 H new ATOM 215 N PRO A 14 0.490 -7.739 -9.411 1.00 0.00 N ATOM 216 CA PRO A 14 0.731 -6.815 -8.308 1.00 0.00 C ATOM 217 C PRO A 14 -0.243 -7.038 -7.144 1.00 0.00 C ATOM 218 O PRO A 14 -1.437 -7.296 -7.354 1.00 0.00 O ATOM 219 CB PRO A 14 0.496 -5.447 -8.949 1.00 0.00 C ATOM 220 CG PRO A 14 -0.513 -5.698 -10.015 1.00 0.00 C ATOM 221 CD PRO A 14 -0.270 -7.101 -10.510 1.00 0.00 C ATOM 0 HA PRO A 14 1.724 -6.936 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.130 -4.725 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.418 -5.040 -9.364 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.525 -5.594 -9.624 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.409 -4.977 -10.826 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.206 -7.624 -10.704 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.296 -7.104 -11.441 1.00 0.00 H new ATOM 229 N VAL A 15 0.272 -6.950 -5.928 1.00 0.00 N ATOM 230 CA VAL A 15 -0.530 -7.130 -4.730 1.00 0.00 C ATOM 231 C VAL A 15 -0.406 -5.916 -3.815 1.00 0.00 C ATOM 232 O VAL A 15 0.703 -5.485 -3.478 1.00 0.00 O ATOM 233 CB VAL A 15 -0.112 -8.402 -3.944 1.00 0.00 C ATOM 234 CG1 VAL A 15 -0.987 -8.592 -2.711 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.181 -9.630 -4.834 1.00 0.00 C ATOM 0 H VAL A 15 1.256 -6.752 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.565 -7.245 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 15 0.919 -8.269 -3.615 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.674 -9.490 -2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.885 -7.727 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.028 -8.696 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.116 -10.510 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.201 -9.760 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.492 -9.503 -5.682 1.00 0.00 H new ATOM 245 N GLU A 16 -1.539 -5.365 -3.437 1.00 0.00 N ATOM 246 CA GLU A 16 -1.590 -4.218 -2.554 1.00 0.00 C ATOM 247 C GLU A 16 -1.524 -4.670 -1.096 1.00 0.00 C ATOM 248 O GLU A 16 -2.413 -5.376 -0.617 1.00 0.00 O ATOM 249 CB GLU A 16 -2.880 -3.444 -2.806 1.00 0.00 C ATOM 250 CG GLU A 16 -3.036 -2.190 -1.978 1.00 0.00 C ATOM 251 CD GLU A 16 -4.327 -1.470 -2.287 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.353 -1.773 -1.641 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.327 -0.606 -3.188 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.455 -5.701 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.735 -3.572 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.926 -3.174 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.727 -4.101 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.008 -2.448 -0.919 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.194 -1.523 -2.166 1.00 0.00 H new ATOM 260 N VAL A 17 -0.467 -4.281 -0.403 1.00 0.00 N ATOM 261 CA VAL A 17 -0.291 -4.658 0.991 1.00 0.00 C ATOM 262 C VAL A 17 -0.087 -3.429 1.863 1.00 0.00 C ATOM 263 O VAL A 17 0.021 -2.306 1.358 1.00 0.00 O ATOM 264 CB VAL A 17 0.914 -5.618 1.180 1.00 0.00 C ATOM 265 CG1 VAL A 17 0.768 -6.845 0.303 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.233 -4.912 0.900 1.00 0.00 C ATOM 0 H VAL A 17 0.283 -3.704 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.201 -5.175 1.294 1.00 0.00 H new ATOM 0 HB VAL A 17 0.921 -5.939 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.624 -7.503 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.147 -7.375 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.722 -6.541 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.057 -5.611 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.239 -4.546 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.349 -4.072 1.585 1.00 0.00 H new ATOM 276 N ASP A 18 -0.032 -3.640 3.162 1.00 0.00 N ATOM 277 CA ASP A 18 0.185 -2.561 4.106 1.00 0.00 C ATOM 278 C ASP A 18 1.583 -2.651 4.682 1.00 0.00 C ATOM 279 O ASP A 18 2.324 -3.592 4.390 1.00 0.00 O ATOM 280 CB ASP A 18 -0.843 -2.606 5.240 1.00 0.00 C ATOM 281 CG ASP A 18 -2.246 -2.298 4.776 1.00 0.00 C ATOM 282 OD1 ASP A 18 -2.548 -1.118 4.544 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.062 -3.238 4.649 1.00 0.00 O1- ATOM 0 H ASP A 18 -0.136 -4.559 3.592 1.00 0.00 H new ATOM 0 HA ASP A 18 0.069 -1.617 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.827 -3.595 5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.556 -1.892 6.012 1.00 0.00 H new ATOM 288 N SER A 19 1.944 -1.685 5.499 1.00 0.00 N ATOM 289 CA SER A 19 3.251 -1.666 6.118 1.00 0.00 C ATOM 290 C SER A 19 3.382 -2.767 7.166 1.00 0.00 C ATOM 291 O SER A 19 4.445 -3.371 7.320 1.00 0.00 O ATOM 292 CB SER A 19 3.511 -0.295 6.745 1.00 0.00 C ATOM 293 OG SER A 19 2.411 0.120 7.539 1.00 0.00 O ATOM 0 H SER A 19 1.346 -0.898 5.751 1.00 0.00 H new ATOM 0 HA SER A 19 3.998 -1.852 5.347 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.411 -0.337 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.694 0.439 5.960 1.00 0.00 H new ATOM 0 HG SER A 19 2.387 -0.406 8.365 1.00 0.00 H new ATOM 299 N ASP A 20 2.288 -3.045 7.858 1.00 0.00 N ATOM 300 CA ASP A 20 2.291 -4.023 8.938 1.00 0.00 C ATOM 301 C ASP A 20 1.805 -5.387 8.484 1.00 0.00 C ATOM 302 O ASP A 20 1.566 -6.265 9.309 1.00 0.00 O ATOM 303 CB ASP A 20 1.441 -3.534 10.111 1.00 0.00 C ATOM 304 CG ASP A 20 2.023 -2.309 10.775 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.848 -2.464 11.695 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.664 -1.179 10.376 1.00 0.00 O1- ATOM 0 H ASP A 20 1.383 -2.606 7.691 1.00 0.00 H new ATOM 0 HA ASP A 20 3.327 -4.132 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.435 -3.308 9.757 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.349 -4.333 10.847 1.00 0.00 H new ATOM 311 N THR A 21 1.666 -5.577 7.182 1.00 0.00 N ATOM 312 CA THR A 21 1.228 -6.857 6.662 1.00 0.00 C ATOM 313 C THR A 21 2.288 -7.923 6.920 1.00 0.00 C ATOM 314 O THR A 21 3.408 -7.822 6.429 1.00 0.00 O ATOM 315 CB THR A 21 0.923 -6.774 5.152 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.107 -5.808 4.927 1.00 0.00 O ATOM 317 CG2 THR A 21 0.478 -8.127 4.605 1.00 0.00 C ATOM 0 H THR A 21 1.849 -4.867 6.473 1.00 0.00 H new ATOM 0 HA THR A 21 0.309 -7.131 7.180 1.00 0.00 H new ATOM 0 HB THR A 21 1.835 -6.477 4.634 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.756 -6.165 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.270 -8.038 3.539 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.269 -8.860 4.760 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.424 -8.451 5.125 1.00 0.00 H new ATOM 325 N SER A 22 1.940 -8.916 7.717 1.00 0.00 N ATOM 326 CA SER A 22 2.855 -9.997 8.024 1.00 0.00 C ATOM 327 C SER A 22 3.041 -10.884 6.790 1.00 0.00 C ATOM 328 O SER A 22 2.139 -10.995 5.963 1.00 0.00 O ATOM 329 CB SER A 22 2.326 -10.816 9.210 1.00 0.00 C ATOM 330 OG SER A 22 3.269 -11.784 9.638 1.00 0.00 O ATOM 0 H SER A 22 1.027 -8.995 8.164 1.00 0.00 H new ATOM 0 HA SER A 22 3.823 -9.581 8.302 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.089 -10.147 10.038 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.398 -11.312 8.925 1.00 0.00 H new ATOM 0 HG SER A 22 4.168 -11.509 9.361 1.00 0.00 H new ATOM 336 N ILE A 23 4.208 -11.501 6.666 1.00 0.00 N ATOM 337 CA ILE A 23 4.514 -12.360 5.526 1.00 0.00 C ATOM 338 C ILE A 23 3.538 -13.544 5.445 1.00 0.00 C ATOM 339 O ILE A 23 3.104 -13.928 4.355 1.00 0.00 O ATOM 340 CB ILE A 23 5.982 -12.864 5.572 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.960 -11.679 5.501 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.269 -13.861 4.443 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.853 -10.864 4.228 1.00 0.00 C ATOM 0 H ILE A 23 4.965 -11.423 7.345 1.00 0.00 H new ATOM 0 HA ILE A 23 4.394 -11.758 4.625 1.00 0.00 H new ATOM 0 HB ILE A 23 6.125 -13.383 6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.784 -11.025 6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.978 -12.056 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.305 -14.193 4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.606 -14.721 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.100 -13.379 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.575 -10.048 4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.060 -11.502 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.847 -10.454 4.142 1.00 0.00 H new ATOM 355 N PHE A 24 3.175 -14.108 6.601 1.00 0.00 N ATOM 356 CA PHE A 24 2.201 -15.202 6.636 1.00 0.00 C ATOM 357 C PHE A 24 0.855 -14.700 6.157 1.00 0.00 C ATOM 358 O PHE A 24 0.160 -15.378 5.403 1.00 0.00 O ATOM 359 CB PHE A 24 2.075 -15.784 8.045 1.00 0.00 C ATOM 360 CG PHE A 24 1.258 -17.044 8.097 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.803 -18.252 7.695 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.054 -17.021 8.543 1.00 0.00 C ATOM 363 CE1 PHE A 24 1.056 -19.413 7.736 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.806 -18.179 8.586 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.249 -19.378 8.182 1.00 0.00 C ATOM 0 H PHE A 24 3.536 -13.830 7.514 1.00 0.00 H new ATOM 0 HA PHE A 24 2.550 -15.996 5.975 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.071 -15.989 8.436 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.623 -15.039 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.824 -18.287 7.345 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.494 -16.087 8.861 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.493 -20.348 7.419 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.828 -18.148 8.935 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.834 -20.285 8.215 1.00 0.00 H new ATOM 375 N GLN A 25 0.507 -13.493 6.584 1.00 0.00 N ATOM 376 CA GLN A 25 -0.738 -12.870 6.180 1.00 0.00 C ATOM 377 C GLN A 25 -0.710 -12.572 4.692 1.00 0.00 C ATOM 378 O GLN A 25 -1.691 -12.760 4.003 1.00 0.00 O ATOM 379 CB GLN A 25 -0.982 -11.586 6.973 1.00 0.00 C ATOM 380 CG GLN A 25 -1.191 -11.817 8.460 1.00 0.00 C ATOM 381 CD GLN A 25 -2.391 -12.695 8.749 1.00 0.00 C ATOM 382 OE1 GLN A 25 -2.273 -13.919 8.845 1.00 0.00 O ATOM 383 NE2 GLN A 25 -3.545 -12.084 8.884 1.00 0.00 N ATOM 0 H GLN A 25 1.076 -12.927 7.213 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.555 -13.561 6.388 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.133 -10.917 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.857 -11.079 6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.298 -12.278 8.882 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.319 -10.856 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.598 -11.069 8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.389 -12.624 9.076 1.00 0.00 H new ATOM 392 N LEU A 26 0.440 -12.122 4.209 1.00 0.00 N ATOM 393 CA LEU A 26 0.630 -11.842 2.791 1.00 0.00 C ATOM 394 C LEU A 26 0.406 -13.101 1.966 1.00 0.00 C ATOM 395 O LEU A 26 -0.326 -13.081 0.973 1.00 0.00 O ATOM 396 CB LEU A 26 2.034 -11.289 2.542 1.00 0.00 C ATOM 397 CG LEU A 26 2.462 -11.172 1.074 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.511 -10.277 0.302 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.885 -10.654 0.980 1.00 0.00 C ATOM 0 H LEU A 26 1.263 -11.941 4.784 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.100 -11.092 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.100 -10.301 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.751 -11.927 3.059 1.00 0.00 H new ATOM 0 HG LEU A 26 2.425 -12.165 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.836 -10.210 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.505 -10.695 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.507 -9.281 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.175 -10.576 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.946 -9.671 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.557 -11.342 1.493 1.00 0.00 H new ATOM 411 N LYS A 27 1.033 -14.192 2.383 1.00 0.00 N ATOM 412 CA LYS A 27 0.875 -15.464 1.702 1.00 0.00 C ATOM 413 C LYS A 27 -0.587 -15.890 1.747 1.00 0.00 C ATOM 414 O LYS A 27 -1.120 -16.438 0.785 1.00 0.00 O ATOM 415 CB LYS A 27 1.762 -16.536 2.347 1.00 0.00 C ATOM 416 CG LYS A 27 1.761 -17.853 1.594 1.00 0.00 C ATOM 417 CD LYS A 27 2.715 -18.869 2.203 1.00 0.00 C ATOM 418 CE LYS A 27 2.192 -19.422 3.518 1.00 0.00 C ATOM 419 NZ LYS A 27 3.025 -20.549 4.002 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.656 -14.219 3.190 1.00 0.00 H new ATOM 0 HA LYS A 27 1.183 -15.348 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.784 -16.162 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.424 -16.710 3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.752 -18.264 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.039 -17.675 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.869 -19.688 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.686 -18.402 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.178 -18.630 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.163 -19.758 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.488 -21.104 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.285 -21.158 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.888 -20.177 4.447 1.00 0.00 H new ATOM 433 N GLU A 28 -1.222 -15.610 2.871 1.00 0.00 N ATOM 434 CA GLU A 28 -2.624 -15.913 3.081 1.00 0.00 C ATOM 435 C GLU A 28 -3.495 -15.077 2.129 1.00 0.00 C ATOM 436 O GLU A 28 -4.441 -15.589 1.524 1.00 0.00 O ATOM 437 CB GLU A 28 -2.970 -15.611 4.537 1.00 0.00 C ATOM 438 CG GLU A 28 -3.772 -16.682 5.236 1.00 0.00 C ATOM 439 CD GLU A 28 -5.255 -16.592 4.943 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.884 -15.584 5.337 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.806 -17.533 4.339 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.774 -15.162 3.670 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.817 -16.965 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.044 -15.452 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.529 -14.676 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.405 -17.662 4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.614 -16.604 6.312 1.00 0.00 H new ATOM 448 N VAL A 29 -3.154 -13.792 1.991 1.00 0.00 N ATOM 449 CA VAL A 29 -3.867 -12.882 1.095 1.00 0.00 C ATOM 450 C VAL A 29 -3.780 -13.362 -0.344 1.00 0.00 C ATOM 451 O VAL A 29 -4.789 -13.441 -1.041 1.00 0.00 O ATOM 452 CB VAL A 29 -3.322 -11.427 1.184 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.995 -10.529 0.151 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.526 -10.861 2.579 1.00 0.00 C ATOM 0 H VAL A 29 -2.381 -13.357 2.495 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.908 -12.878 1.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.253 -11.457 0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.597 -9.518 0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.800 -10.915 -0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.070 -10.511 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.138 -9.843 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.590 -10.853 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.997 -11.480 3.304 1.00 0.00 H new ATOM 464 N VAL A 30 -2.579 -13.691 -0.783 1.00 0.00 N ATOM 465 CA VAL A 30 -2.377 -14.174 -2.139 1.00 0.00 C ATOM 466 C VAL A 30 -3.090 -15.510 -2.339 1.00 0.00 C ATOM 467 O VAL A 30 -3.657 -15.773 -3.406 1.00 0.00 O ATOM 468 CB VAL A 30 -0.875 -14.331 -2.477 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.694 -14.825 -3.905 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.144 -13.011 -2.276 1.00 0.00 C ATOM 0 H VAL A 30 -1.729 -13.633 -0.222 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.799 -13.429 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.448 -15.072 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.369 -14.929 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.184 -15.792 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.138 -14.109 -4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.911 -13.139 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.577 -12.252 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.242 -12.695 -1.237 1.00 0.00 H new ATOM 480 N ALA A 31 -3.080 -16.335 -1.300 1.00 0.00 N ATOM 481 CA ALA A 31 -3.728 -17.633 -1.343 1.00 0.00 C ATOM 482 C ALA A 31 -5.211 -17.495 -1.629 1.00 0.00 C ATOM 483 O ALA A 31 -5.717 -18.068 -2.587 1.00 0.00 O ATOM 484 CB ALA A 31 -3.513 -18.376 -0.044 1.00 0.00 C ATOM 0 H ALA A 31 -2.626 -16.123 -0.412 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.277 -18.205 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.006 -19.347 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.445 -18.519 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.933 -17.798 0.779 1.00 0.00 H new ATOM 490 N LYS A 32 -5.907 -16.720 -0.809 1.00 0.00 N ATOM 491 CA LYS A 32 -7.339 -16.513 -0.996 1.00 0.00 C ATOM 492 C LYS A 32 -7.623 -15.751 -2.285 1.00 0.00 C ATOM 493 O LYS A 32 -8.659 -15.950 -2.916 1.00 0.00 O ATOM 494 CB LYS A 32 -7.958 -15.783 0.202 1.00 0.00 C ATOM 495 CG LYS A 32 -7.267 -14.482 0.572 1.00 0.00 C ATOM 496 CD LYS A 32 -8.077 -13.703 1.585 1.00 0.00 C ATOM 497 CE LYS A 32 -7.306 -12.508 2.123 1.00 0.00 C ATOM 498 NZ LYS A 32 -8.098 -11.739 3.114 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.507 -16.226 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.801 -17.497 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.005 -15.574 -0.017 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.940 -16.448 1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.278 -14.695 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.120 -13.877 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.004 -13.361 1.124 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.355 -14.358 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.381 -12.851 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.026 -11.855 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.537 -10.933 3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.969 -11.389 2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.344 -12.355 3.915 1.00 0.00 H new ATOM 512 N ARG A 33 -6.686 -14.893 -2.674 1.00 0.00 N ATOM 513 CA ARG A 33 -6.817 -14.098 -3.888 1.00 0.00 C ATOM 514 C ARG A 33 -6.853 -15.019 -5.111 1.00 0.00 C ATOM 515 O ARG A 33 -7.702 -14.879 -5.985 1.00 0.00 O ATOM 516 CB ARG A 33 -5.626 -13.127 -4.000 1.00 0.00 C ATOM 517 CG ARG A 33 -5.925 -11.820 -4.734 1.00 0.00 C ATOM 518 CD ARG A 33 -6.193 -12.033 -6.214 1.00 0.00 C ATOM 519 NE ARG A 33 -6.445 -10.768 -6.904 1.00 0.00 N ATOM 520 CZ ARG A 33 -7.202 -10.640 -7.999 1.00 0.00 C ATOM 521 NH1 ARG A 33 -7.786 -11.703 -8.548 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -7.369 -9.443 -8.544 1.00 0.00 N ATOM 0 H ARG A 33 -5.820 -14.730 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.744 -13.527 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.274 -12.890 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.809 -13.635 -4.512 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.790 -11.340 -4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.082 -11.139 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.339 -12.533 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.052 -12.693 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.014 -9.926 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.658 -12.626 -8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.361 -11.594 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.921 -8.626 -8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.945 -9.339 -9.379 1.00 0.00 H new ATOM 536 N GLN A 34 -5.920 -15.958 -5.148 1.00 0.00 N ATOM 537 CA GLN A 34 -5.817 -16.914 -6.246 1.00 0.00 C ATOM 538 C GLN A 34 -6.783 -18.074 -6.049 1.00 0.00 C ATOM 539 O GLN A 34 -7.058 -18.835 -6.975 1.00 0.00 O ATOM 540 CB GLN A 34 -4.386 -17.443 -6.336 1.00 0.00 C ATOM 541 CG GLN A 34 -3.363 -16.387 -6.717 1.00 0.00 C ATOM 542 CD GLN A 34 -3.410 -16.038 -8.191 1.00 0.00 C ATOM 543 OE1 GLN A 34 -2.728 -16.654 -9.009 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.213 -15.056 -8.537 1.00 0.00 N ATOM 0 H GLN A 34 -5.214 -16.081 -4.422 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.078 -16.403 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.107 -17.875 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.352 -18.249 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.538 -15.487 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.365 -16.744 -6.463 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.761 -14.571 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.288 -14.779 -9.516 1.00 0.00 H new ATOM 553 N GLY A 35 -7.288 -18.202 -4.835 1.00 0.00 N ATOM 554 CA GLY A 35 -8.199 -19.276 -4.519 1.00 0.00 C ATOM 555 C GLY A 35 -7.474 -20.577 -4.308 1.00 0.00 C ATOM 556 O GLY A 35 -7.965 -21.645 -4.682 1.00 0.00 O ATOM 0 H GLY A 35 -7.081 -17.575 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.762 -19.023 -3.620 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.922 -19.389 -5.327 1.00 0.00 H new ATOM 560 N VAL A 36 -6.307 -20.491 -3.704 1.00 0.00 N ATOM 561 CA VAL A 36 -5.477 -21.650 -3.458 1.00 0.00 C ATOM 562 C VAL A 36 -5.269 -21.848 -1.956 1.00 0.00 C ATOM 563 O VAL A 36 -5.516 -20.934 -1.166 1.00 0.00 O ATOM 564 CB VAL A 36 -4.100 -21.513 -4.160 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.284 -21.325 -5.661 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.295 -20.362 -3.564 1.00 0.00 C ATOM 0 H VAL A 36 -5.907 -19.614 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.991 -22.519 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.540 -22.433 -3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.309 -21.231 -6.138 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.808 -22.187 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.867 -20.423 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.334 -20.288 -4.074 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.846 -19.430 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.129 -20.545 -2.502 1.00 0.00 H new ATOM 576 N PRO A 37 -4.829 -23.047 -1.539 1.00 0.00 N ATOM 577 CA PRO A 37 -4.584 -23.351 -0.132 1.00 0.00 C ATOM 578 C PRO A 37 -3.302 -22.708 0.382 1.00 0.00 C ATOM 579 O PRO A 37 -2.208 -23.003 -0.107 1.00 0.00 O ATOM 580 CB PRO A 37 -4.449 -24.883 -0.103 1.00 0.00 C ATOM 581 CG PRO A 37 -4.806 -25.349 -1.480 1.00 0.00 C ATOM 582 CD PRO A 37 -4.550 -24.199 -2.393 1.00 0.00 C ATOM 0 HA PRO A 37 -5.382 -22.968 0.504 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.434 -25.181 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.113 -25.320 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.206 -26.213 -1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.850 -25.657 -1.527 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.523 -24.193 -2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.201 -24.223 -3.267 1.00 0.00 H new ATOM 590 N ALA A 38 -3.440 -21.842 1.379 1.00 0.00 N ATOM 591 CA ALA A 38 -2.295 -21.162 1.977 1.00 0.00 C ATOM 592 C ALA A 38 -1.443 -22.139 2.781 1.00 0.00 C ATOM 593 O ALA A 38 -0.253 -21.905 2.998 1.00 0.00 O ATOM 594 CB ALA A 38 -2.765 -20.009 2.862 1.00 0.00 C ATOM 0 H ALA A 38 -4.338 -21.592 1.793 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.680 -20.757 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.900 -19.511 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.328 -19.295 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.403 -20.397 3.657 1.00 0.00 H new ATOM 600 N ASP A 39 -2.067 -23.242 3.203 1.00 0.00 N ATOM 601 CA ASP A 39 -1.398 -24.277 4.000 1.00 0.00 C ATOM 602 C ASP A 39 -0.143 -24.784 3.308 1.00 0.00 C ATOM 603 O ASP A 39 0.942 -24.792 3.890 1.00 0.00 O ATOM 604 CB ASP A 39 -2.332 -25.468 4.241 1.00 0.00 C ATOM 605 CG ASP A 39 -3.623 -25.095 4.927 1.00 0.00 C ATOM 606 OD1 ASP A 39 -3.648 -25.037 6.171 1.00 0.00 O ATOM 607 OD2 ASP A 39 -4.626 -24.881 4.223 1.00 0.00 O1- ATOM 0 H ASP A 39 -3.047 -23.444 3.003 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.127 -23.819 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.561 -25.938 3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.811 -26.211 4.845 1.00 0.00 H new ATOM 612 N GLN A 40 -0.293 -25.197 2.063 1.00 0.00 N ATOM 613 CA GLN A 40 0.818 -25.755 1.308 1.00 0.00 C ATOM 614 C GLN A 40 1.320 -24.776 0.260 1.00 0.00 C ATOM 615 O GLN A 40 1.790 -25.173 -0.811 1.00 0.00 O ATOM 616 CB GLN A 40 0.408 -27.076 0.658 1.00 0.00 C ATOM 617 CG GLN A 40 0.020 -28.156 1.659 1.00 0.00 C ATOM 618 CD GLN A 40 1.108 -28.421 2.690 1.00 0.00 C ATOM 619 OE1 GLN A 40 2.299 -28.263 2.416 1.00 0.00 O ATOM 620 NE2 GLN A 40 0.706 -28.821 3.879 1.00 0.00 N ATOM 0 H GLN A 40 -1.174 -25.157 1.551 1.00 0.00 H new ATOM 0 HA GLN A 40 1.636 -25.946 2.003 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.432 -26.896 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.232 -27.440 0.045 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.895 -27.859 2.171 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.200 -29.080 1.124 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.289 -28.940 4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.390 -29.011 4.611 1.00 0.00 H new ATOM 629 N LEU A 41 1.223 -23.499 0.571 1.00 0.00 N ATOM 630 CA LEU A 41 1.706 -22.469 -0.319 1.00 0.00 C ATOM 631 C LEU A 41 3.109 -22.048 0.111 1.00 0.00 C ATOM 632 O LEU A 41 3.353 -21.784 1.295 1.00 0.00 O ATOM 633 CB LEU A 41 0.751 -21.270 -0.315 1.00 0.00 C ATOM 634 CG LEU A 41 1.022 -20.197 -1.371 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.955 -20.795 -2.763 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.025 -19.058 -1.242 1.00 0.00 C ATOM 0 H LEU A 41 0.812 -23.151 1.437 1.00 0.00 H new ATOM 0 HA LEU A 41 1.749 -22.859 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.265 -21.639 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.790 -20.802 0.669 1.00 0.00 H new ATOM 0 HG LEU A 41 2.025 -19.802 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.150 -20.018 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.703 -21.582 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.037 -21.215 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.233 -18.304 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.986 -19.442 -1.380 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.111 -18.609 -0.252 1.00 0.00 H new ATOM 648 N ARG A 42 4.025 -22.003 -0.838 1.00 0.00 N ATOM 649 CA ARG A 42 5.406 -21.664 -0.549 1.00 0.00 C ATOM 650 C ARG A 42 5.815 -20.371 -1.244 1.00 0.00 C ATOM 651 O ARG A 42 5.716 -20.251 -2.465 1.00 0.00 O ATOM 652 CB ARG A 42 6.328 -22.817 -0.979 1.00 0.00 C ATOM 653 CG ARG A 42 7.818 -22.572 -0.750 1.00 0.00 C ATOM 654 CD ARG A 42 8.138 -22.306 0.717 1.00 0.00 C ATOM 655 NE ARG A 42 7.602 -23.347 1.601 1.00 0.00 N ATOM 656 CZ ARG A 42 8.204 -23.788 2.713 1.00 0.00 C ATOM 657 NH1 ARG A 42 9.427 -23.376 3.034 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 7.592 -24.671 3.491 1.00 0.00 N ATOM 0 H ARG A 42 3.836 -22.198 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 42 5.502 -21.509 0.526 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.036 -23.717 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.166 -23.016 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.384 -23.438 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.142 -21.722 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.219 -22.244 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.727 -21.339 1.007 1.00 0.00 H new ATOM 0 HE ARG A 42 6.706 -23.765 1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.918 -22.716 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.874 -23.720 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.664 -25.013 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.049 -25.008 4.338 1.00 0.00 H new ATOM 672 N VAL A 43 6.260 -19.405 -0.460 1.00 0.00 N ATOM 673 CA VAL A 43 6.720 -18.138 -0.998 1.00 0.00 C ATOM 674 C VAL A 43 8.245 -18.100 -1.052 1.00 0.00 C ATOM 675 O VAL A 43 8.918 -18.245 -0.033 1.00 0.00 O ATOM 676 CB VAL A 43 6.180 -16.925 -0.184 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.678 -16.795 -0.361 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.523 -17.057 1.298 1.00 0.00 C ATOM 0 H VAL A 43 6.312 -19.475 0.556 1.00 0.00 H new ATOM 0 HA VAL A 43 6.324 -18.056 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 43 6.662 -16.025 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.316 -15.943 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.448 -16.645 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.190 -17.704 -0.009 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.133 -16.195 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.076 -17.968 1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.605 -17.102 1.418 1.00 0.00 H new ATOM 688 N ILE A 44 8.785 -17.933 -2.243 1.00 0.00 N ATOM 689 CA ILE A 44 10.221 -17.903 -2.426 1.00 0.00 C ATOM 690 C ILE A 44 10.685 -16.540 -2.925 1.00 0.00 C ATOM 691 O ILE A 44 10.163 -16.006 -3.896 1.00 0.00 O ATOM 692 CB ILE A 44 10.696 -19.005 -3.411 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.310 -20.396 -2.892 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.202 -18.919 -3.635 1.00 0.00 C ATOM 695 CD1 ILE A 44 10.933 -20.751 -1.553 1.00 0.00 C ATOM 0 H ILE A 44 8.247 -17.816 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 44 10.667 -18.095 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 44 10.198 -18.842 -4.367 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.225 -20.451 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.607 -21.143 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.512 -19.701 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.453 -17.944 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.719 -19.051 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.611 -21.749 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.019 -20.731 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.616 -20.028 -0.801 1.00 0.00 H new ATOM 707 N PHE A 45 11.653 -15.994 -2.246 1.00 0.00 N ATOM 708 CA PHE A 45 12.227 -14.724 -2.592 1.00 0.00 C ATOM 709 C PHE A 45 13.741 -14.831 -2.548 1.00 0.00 C ATOM 710 O PHE A 45 14.309 -15.214 -1.523 1.00 0.00 O ATOM 711 CB PHE A 45 11.736 -13.649 -1.617 1.00 0.00 C ATOM 712 CG PHE A 45 12.364 -12.303 -1.826 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.924 -11.469 -2.840 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.394 -11.869 -1.004 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.496 -10.230 -3.030 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.970 -10.631 -1.192 1.00 0.00 C ATOM 717 CZ PHE A 45 13.521 -9.810 -2.206 1.00 0.00 C ATOM 0 H PHE A 45 12.073 -16.426 -1.423 1.00 0.00 H new ATOM 0 HA PHE A 45 11.919 -14.443 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.655 -13.553 -1.713 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.938 -13.978 -0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.124 -11.793 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.748 -12.508 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.143 -9.588 -3.823 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.772 -10.304 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.971 -8.840 -2.355 1.00 0.00 H new ATOM 727 N ALA A 46 14.385 -14.531 -3.675 1.00 0.00 N ATOM 728 CA ALA A 46 15.850 -14.574 -3.788 1.00 0.00 C ATOM 729 C ALA A 46 16.405 -15.991 -3.579 1.00 0.00 C ATOM 730 O ALA A 46 17.605 -16.174 -3.372 1.00 0.00 O ATOM 731 CB ALA A 46 16.499 -13.588 -2.815 1.00 0.00 C ATOM 0 H ALA A 46 13.912 -14.252 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 46 16.103 -14.276 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.583 -13.637 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.159 -12.577 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.218 -13.846 -1.794 1.00 0.00 H new ATOM 737 N GLY A 47 15.535 -16.988 -3.652 1.00 0.00 N ATOM 738 CA GLY A 47 15.968 -18.363 -3.484 1.00 0.00 C ATOM 739 C GLY A 47 15.639 -18.933 -2.113 1.00 0.00 C ATOM 740 O GLY A 47 15.903 -20.105 -1.846 1.00 0.00 O ATOM 0 H GLY A 47 14.537 -16.871 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.498 -18.981 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.045 -18.420 -3.645 1.00 0.00 H new ATOM 744 N LYS A 48 15.064 -18.118 -1.248 1.00 0.00 N ATOM 745 CA LYS A 48 14.703 -18.559 0.097 1.00 0.00 C ATOM 746 C LYS A 48 13.283 -18.148 0.429 1.00 0.00 C ATOM 747 O LYS A 48 12.671 -17.389 -0.302 1.00 0.00 O ATOM 748 CB LYS A 48 15.649 -17.960 1.136 1.00 0.00 C ATOM 749 CG LYS A 48 15.716 -16.441 1.095 1.00 0.00 C ATOM 750 CD LYS A 48 16.010 -15.870 2.465 1.00 0.00 C ATOM 751 CE LYS A 48 16.343 -14.384 2.392 1.00 0.00 C ATOM 752 NZ LYS A 48 16.766 -13.839 3.709 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.834 -17.145 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 48 14.783 -19.646 0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.330 -18.274 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.649 -18.364 0.980 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.489 -16.127 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.771 -16.042 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.148 -16.019 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.844 -16.409 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.138 -14.227 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.471 -13.835 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.982 -12.826 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.998 -13.965 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.613 -14.344 4.038 1.00 0.00 H new ATOM 766 N GLU A 49 12.766 -18.648 1.525 1.00 0.00 N ATOM 767 CA GLU A 49 11.444 -18.269 1.969 1.00 0.00 C ATOM 768 C GLU A 49 11.547 -17.233 3.070 1.00 0.00 C ATOM 769 O GLU A 49 12.390 -17.342 3.962 1.00 0.00 O ATOM 770 CB GLU A 49 10.610 -19.481 2.432 1.00 0.00 C ATOM 771 CG GLU A 49 11.300 -20.389 3.439 1.00 0.00 C ATOM 772 CD GLU A 49 12.323 -21.293 2.795 1.00 0.00 C ATOM 773 OE1 GLU A 49 13.526 -20.973 2.855 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.924 -22.321 2.217 1.00 0.00 O1- ATOM 0 H GLU A 49 13.241 -19.320 2.128 1.00 0.00 H new ATOM 0 HA GLU A 49 10.920 -17.837 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.681 -19.117 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.340 -20.073 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.787 -19.779 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.552 -20.997 3.948 1.00 0.00 H new ATOM 781 N LEU A 50 10.714 -16.223 2.989 1.00 0.00 N ATOM 782 CA LEU A 50 10.719 -15.144 3.960 1.00 0.00 C ATOM 783 C LEU A 50 10.179 -15.598 5.298 1.00 0.00 C ATOM 784 O LEU A 50 9.393 -16.545 5.381 1.00 0.00 O ATOM 785 CB LEU A 50 9.883 -13.968 3.466 1.00 0.00 C ATOM 786 CG LEU A 50 10.281 -13.381 2.123 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.388 -12.210 1.773 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.744 -12.962 2.130 1.00 0.00 C ATOM 0 H LEU A 50 10.015 -16.122 2.253 1.00 0.00 H new ATOM 0 HA LEU A 50 11.756 -14.833 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.843 -14.288 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.930 -13.176 4.214 1.00 0.00 H new ATOM 0 HG LEU A 50 10.154 -14.149 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.686 -11.801 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.352 -12.545 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.482 -11.440 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.008 -12.544 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.904 -12.211 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.370 -13.831 2.333 1.00 0.00 H new ATOM 800 N ARG A 51 10.615 -14.920 6.336 1.00 0.00 N ATOM 801 CA ARG A 51 10.144 -15.161 7.680 1.00 0.00 C ATOM 802 C ARG A 51 8.655 -14.798 7.780 1.00 0.00 C ATOM 803 O ARG A 51 8.280 -13.627 7.747 1.00 0.00 O ATOM 804 CB ARG A 51 10.997 -14.356 8.668 1.00 0.00 C ATOM 805 CG ARG A 51 11.183 -12.900 8.263 1.00 0.00 C ATOM 806 CD ARG A 51 12.552 -12.372 8.661 1.00 0.00 C ATOM 807 NE ARG A 51 12.768 -12.428 10.105 1.00 0.00 N ATOM 808 CZ ARG A 51 13.827 -11.913 10.731 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.795 -11.321 10.038 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.919 -12.002 12.052 1.00 0.00 N ATOM 0 H ARG A 51 11.313 -14.179 6.270 1.00 0.00 H new ATOM 0 HA ARG A 51 10.243 -16.217 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.532 -14.394 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.976 -14.827 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.056 -12.804 7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.409 -12.291 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.324 -12.954 8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.655 -11.342 8.320 1.00 0.00 H new ATOM 0 HE ARG A 51 12.060 -12.893 10.673 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.730 -11.259 9.022 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.603 -10.929 10.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.181 -12.463 12.585 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.727 -11.609 12.535 1.00 0.00 H new ATOM 824 N ASN A 52 7.821 -15.820 7.897 1.00 0.00 N ATOM 825 CA ASN A 52 6.365 -15.660 7.876 1.00 0.00 C ATOM 826 C ASN A 52 5.848 -14.878 9.080 1.00 0.00 C ATOM 827 O ASN A 52 4.761 -14.309 9.033 1.00 0.00 O ATOM 828 CB ASN A 52 5.667 -17.034 7.799 1.00 0.00 C ATOM 829 CG ASN A 52 5.667 -17.795 9.121 1.00 0.00 C ATOM 830 OD1 ASN A 52 4.739 -17.673 9.921 1.00 0.00 O ATOM 831 ND2 ASN A 52 6.699 -18.581 9.354 1.00 0.00 N ATOM 0 H ASN A 52 8.129 -16.786 8.009 1.00 0.00 H new ATOM 0 HA ASN A 52 6.125 -15.083 6.983 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.637 -16.891 7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.161 -17.641 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.748 -19.115 10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.449 -18.656 8.666 1.00 0.00 H new ATOM 838 N ASP A 53 6.634 -14.834 10.137 1.00 0.00 N ATOM 839 CA ASP A 53 6.210 -14.184 11.372 1.00 0.00 C ATOM 840 C ASP A 53 6.587 -12.699 11.406 1.00 0.00 C ATOM 841 O ASP A 53 6.360 -12.020 12.411 1.00 0.00 O ATOM 842 CB ASP A 53 6.810 -14.904 12.586 1.00 0.00 C ATOM 843 CG ASP A 53 8.285 -14.605 12.791 1.00 0.00 C ATOM 844 OD1 ASP A 53 9.098 -14.919 11.896 1.00 0.00 O ATOM 845 OD2 ASP A 53 8.645 -14.068 13.859 1.00 0.00 O1- ATOM 0 H ASP A 53 7.570 -15.239 10.171 1.00 0.00 H new ATOM 0 HA ASP A 53 5.123 -14.247 11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.259 -14.614 13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.677 -15.979 12.465 1.00 0.00 H new ATOM 850 N TRP A 54 7.133 -12.186 10.316 1.00 0.00 N ATOM 851 CA TRP A 54 7.549 -10.788 10.284 1.00 0.00 C ATOM 852 C TRP A 54 6.725 -9.973 9.270 1.00 0.00 C ATOM 853 O TRP A 54 5.870 -10.520 8.575 1.00 0.00 O ATOM 854 CB TRP A 54 9.055 -10.684 9.999 1.00 0.00 C ATOM 855 CG TRP A 54 9.627 -9.327 10.280 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.431 -8.593 9.464 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.412 -8.533 11.456 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.733 -7.397 10.058 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.118 -7.335 11.277 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.691 -8.717 12.641 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.123 -6.328 12.231 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.700 -7.715 13.586 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.411 -6.534 13.375 1.00 0.00 C ATOM 0 H TRP A 54 7.298 -12.704 9.453 1.00 0.00 H new ATOM 0 HA TRP A 54 7.358 -10.356 11.266 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.582 -11.423 10.602 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.237 -10.936 8.954 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.780 -8.907 8.491 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.323 -6.669 9.655 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.137 -9.628 12.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.672 -5.412 12.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.148 -7.846 14.505 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.397 -5.766 14.134 1.00 0.00 H new ATOM 874 N THR A 55 6.991 -8.669 9.207 1.00 0.00 N ATOM 875 CA THR A 55 6.271 -7.754 8.341 1.00 0.00 C ATOM 876 C THR A 55 6.845 -7.753 6.917 1.00 0.00 C ATOM 877 O THR A 55 7.987 -8.164 6.688 1.00 0.00 O ATOM 878 CB THR A 55 6.312 -6.321 8.916 1.00 0.00 C ATOM 879 OG1 THR A 55 7.673 -5.889 9.052 1.00 0.00 O ATOM 880 CG2 THR A 55 5.644 -6.268 10.280 1.00 0.00 C ATOM 0 H THR A 55 7.719 -8.220 9.763 1.00 0.00 H new ATOM 0 HA THR A 55 5.238 -8.097 8.293 1.00 0.00 H new ATOM 0 HB THR A 55 5.777 -5.665 8.229 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.693 -4.979 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.685 -5.249 10.666 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.604 -6.580 10.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.164 -6.937 10.966 1.00 0.00 H new ATOM 888 N VAL A 56 6.045 -7.281 5.969 1.00 0.00 N ATOM 889 CA VAL A 56 6.432 -7.270 4.569 1.00 0.00 C ATOM 890 C VAL A 56 7.189 -5.992 4.175 1.00 0.00 C ATOM 891 O VAL A 56 8.148 -6.049 3.400 1.00 0.00 O ATOM 892 CB VAL A 56 5.196 -7.455 3.636 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.214 -6.301 3.780 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.627 -7.612 2.188 1.00 0.00 C ATOM 0 H VAL A 56 5.117 -6.898 6.150 1.00 0.00 H new ATOM 0 HA VAL A 56 7.109 -8.114 4.438 1.00 0.00 H new ATOM 0 HB VAL A 56 4.687 -8.368 3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.364 -6.461 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.864 -6.248 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.709 -5.367 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.747 -7.739 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.173 -6.723 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.271 -8.486 2.093 1.00 0.00 H new ATOM 904 N GLN A 57 6.786 -4.848 4.715 1.00 0.00 N ATOM 905 CA GLN A 57 7.403 -3.593 4.312 1.00 0.00 C ATOM 906 C GLN A 57 8.823 -3.464 4.835 1.00 0.00 C ATOM 907 O GLN A 57 9.678 -2.882 4.173 1.00 0.00 O ATOM 908 CB GLN A 57 6.556 -2.387 4.706 1.00 0.00 C ATOM 909 CG GLN A 57 7.100 -1.069 4.174 1.00 0.00 C ATOM 910 CD GLN A 57 6.141 0.080 4.354 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.156 0.760 5.374 1.00 0.00 O ATOM 912 NE2 GLN A 57 5.305 0.310 3.360 1.00 0.00 N ATOM 0 H GLN A 57 6.051 -4.764 5.417 1.00 0.00 H new ATOM 0 HA GLN A 57 7.458 -3.609 3.223 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.541 -2.529 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.495 -2.334 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.036 -0.837 4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.332 -1.179 3.115 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.326 -0.281 2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.637 1.079 3.423 1.00 0.00 H new ATOM 921 N ASN A 58 9.089 -4.027 6.005 1.00 0.00 N ATOM 922 CA ASN A 58 10.441 -3.990 6.567 1.00 0.00 C ATOM 923 C ASN A 58 11.387 -4.847 5.723 1.00 0.00 C ATOM 924 O ASN A 58 12.607 -4.723 5.807 1.00 0.00 O ATOM 925 CB ASN A 58 10.447 -4.468 8.024 1.00 0.00 C ATOM 926 CG ASN A 58 11.806 -4.297 8.709 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.195 -5.109 9.546 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.527 -3.238 8.372 1.00 0.00 N ATOM 0 H ASN A 58 8.400 -4.510 6.581 1.00 0.00 H new ATOM 0 HA ASN A 58 10.788 -2.957 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.693 -3.915 8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.161 -5.519 8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.434 -3.078 8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.175 -2.583 7.674 1.00 0.00 H new ATOM 935 N CYS A 59 10.813 -5.718 4.904 1.00 0.00 N ATOM 936 CA CYS A 59 11.596 -6.561 4.023 1.00 0.00 C ATOM 937 C CYS A 59 11.849 -5.843 2.689 1.00 0.00 C ATOM 938 O CYS A 59 12.722 -6.239 1.914 1.00 0.00 O ATOM 939 CB CYS A 59 10.891 -7.906 3.802 1.00 0.00 C ATOM 940 SG CYS A 59 11.841 -9.102 2.833 1.00 0.00 S ATOM 0 H CYS A 59 9.805 -5.856 4.834 1.00 0.00 H new ATOM 0 HA CYS A 59 12.560 -6.760 4.490 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.661 -8.345 4.773 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.940 -7.725 3.301 1.00 0.00 H new ATOM 0 HG CYS A 59 12.630 -8.470 2.016 1.00 0.00 H new ATOM 946 N ASP A 60 11.071 -4.773 2.442 1.00 0.00 N ATOM 947 CA ASP A 60 11.214 -3.928 1.238 1.00 0.00 C ATOM 948 C ASP A 60 11.098 -4.729 -0.059 1.00 0.00 C ATOM 949 O ASP A 60 11.893 -4.546 -0.969 1.00 0.00 O ATOM 950 CB ASP A 60 12.552 -3.165 1.260 1.00 0.00 C ATOM 951 CG ASP A 60 12.592 -2.056 2.291 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.248 -2.228 3.338 1.00 0.00 O ATOM 953 OD2 ASP A 60 11.974 -1.002 2.057 1.00 0.00 O1- ATOM 0 H ASP A 60 10.326 -4.469 3.069 1.00 0.00 H new ATOM 0 HA ASP A 60 10.389 -3.216 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.360 -3.868 1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.737 -2.741 0.273 1.00 0.00 H new ATOM 958 N LEU A 61 10.080 -5.586 -0.147 1.00 0.00 N ATOM 959 CA LEU A 61 9.872 -6.439 -1.337 1.00 0.00 C ATOM 960 C LEU A 61 9.877 -5.646 -2.642 1.00 0.00 C ATOM 961 O LEU A 61 10.673 -5.926 -3.538 1.00 0.00 O ATOM 962 CB LEU A 61 8.565 -7.247 -1.225 1.00 0.00 C ATOM 963 CG LEU A 61 8.632 -8.534 -0.400 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.729 -9.442 -0.919 1.00 0.00 C ATOM 965 CD2 LEU A 61 8.851 -8.229 1.064 1.00 0.00 C ATOM 0 H LEU A 61 9.383 -5.714 0.586 1.00 0.00 H new ATOM 0 HA LEU A 61 10.718 -7.126 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.800 -6.602 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.234 -7.503 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 61 7.676 -9.048 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.762 -10.352 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.527 -9.699 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.688 -8.929 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.895 -9.161 1.627 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.789 -7.687 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.028 -7.619 1.436 1.00 0.00 H new ATOM 977 N ASP A 62 9.006 -4.649 -2.736 1.00 0.00 N ATOM 978 CA ASP A 62 8.876 -3.851 -3.962 1.00 0.00 C ATOM 979 C ASP A 62 10.171 -3.104 -4.295 1.00 0.00 C ATOM 980 O ASP A 62 10.450 -2.803 -5.456 1.00 0.00 O ATOM 981 CB ASP A 62 7.704 -2.870 -3.846 1.00 0.00 C ATOM 982 CG ASP A 62 7.532 -2.013 -5.086 1.00 0.00 C ATOM 983 OD1 ASP A 62 7.465 -2.570 -6.197 1.00 0.00 O ATOM 984 OD2 ASP A 62 7.455 -0.772 -4.950 1.00 0.00 O1- ATOM 0 H ASP A 62 8.378 -4.369 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 62 8.676 -4.542 -4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.785 -3.428 -3.665 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.860 -2.224 -2.982 1.00 0.00 H new ATOM 989 N GLN A 63 10.961 -2.831 -3.277 1.00 0.00 N ATOM 990 CA GLN A 63 12.217 -2.116 -3.446 1.00 0.00 C ATOM 991 C GLN A 63 13.385 -3.094 -3.612 1.00 0.00 C ATOM 992 O GLN A 63 14.549 -2.698 -3.566 1.00 0.00 O ATOM 993 CB GLN A 63 12.475 -1.195 -2.238 1.00 0.00 C ATOM 994 CG GLN A 63 11.702 0.134 -2.243 1.00 0.00 C ATOM 995 CD GLN A 63 10.201 -0.029 -2.420 1.00 0.00 C ATOM 996 OE1 GLN A 63 9.467 -0.226 -1.454 1.00 0.00 O ATOM 997 NE2 GLN A 63 9.741 0.087 -3.648 1.00 0.00 N ATOM 0 H GLN A 63 10.756 -3.095 -2.313 1.00 0.00 H new ATOM 0 HA GLN A 63 12.141 -1.510 -4.349 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.222 -1.739 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.542 -0.975 -2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.893 0.658 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.087 0.764 -3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.386 0.250 -4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 63 8.739 0.014 -3.826 1.00 0.00 H new ATOM 1006 N GLN A 64 13.071 -4.371 -3.807 1.00 0.00 N ATOM 1007 CA GLN A 64 14.103 -5.390 -3.956 1.00 0.00 C ATOM 1008 C GLN A 64 13.907 -6.234 -5.204 1.00 0.00 C ATOM 1009 O GLN A 64 14.654 -6.101 -6.172 1.00 0.00 O ATOM 1010 CB GLN A 64 14.162 -6.299 -2.725 1.00 0.00 C ATOM 1011 CG GLN A 64 14.720 -5.626 -1.490 1.00 0.00 C ATOM 1012 CD GLN A 64 16.133 -5.137 -1.698 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.905 -5.725 -2.460 1.00 0.00 O ATOM 1014 NE2 GLN A 64 16.480 -4.059 -1.044 1.00 0.00 N ATOM 0 H GLN A 64 12.115 -4.723 -3.865 1.00 0.00 H new ATOM 0 HA GLN A 64 15.048 -4.857 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.158 -6.663 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.773 -7.171 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.083 -4.785 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.699 -6.327 -0.655 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.812 -3.602 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.419 -3.675 -1.155 1.00 0.00 H new ATOM 1037 N ILE A 66 10.890 -9.398 -7.184 1.00 0.00 N ATOM 1038 CA ILE A 66 9.566 -9.978 -7.251 1.00 0.00 C ATOM 1039 C ILE A 66 9.546 -11.317 -6.499 1.00 0.00 C ATOM 1040 O ILE A 66 10.528 -12.072 -6.526 1.00 0.00 O ATOM 1041 CB ILE A 66 9.107 -10.162 -8.737 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.622 -10.484 -8.818 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.909 -11.246 -9.435 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.065 -10.428 -10.227 1.00 0.00 C ATOM 0 HA ILE A 66 8.862 -9.297 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 66 9.288 -9.216 -9.247 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.452 -11.480 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.072 -9.783 -8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.565 -11.348 -10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.965 -10.977 -9.431 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.774 -12.193 -8.912 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.002 -10.668 -10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.203 -9.426 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.589 -11.149 -10.854 1.00 0.00 H new ATOM 1056 N VAL A 67 8.458 -11.589 -5.803 1.00 0.00 N ATOM 1057 CA VAL A 67 8.345 -12.815 -5.023 1.00 0.00 C ATOM 1058 C VAL A 67 7.841 -13.956 -5.891 1.00 0.00 C ATOM 1059 O VAL A 67 6.924 -13.781 -6.678 1.00 0.00 O ATOM 1060 CB VAL A 67 7.385 -12.640 -3.821 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.451 -13.842 -2.887 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.687 -11.354 -3.070 1.00 0.00 C ATOM 0 H VAL A 67 7.640 -10.982 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 67 9.341 -13.047 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 67 6.369 -12.574 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.767 -13.692 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.167 -14.742 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.467 -13.953 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.000 -11.253 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.712 -11.381 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.567 -10.504 -3.741 1.00 0.00 H new ATOM 1072 N HIS A 68 8.448 -15.112 -5.754 1.00 0.00 N ATOM 1073 CA HIS A 68 8.043 -16.288 -6.502 1.00 0.00 C ATOM 1074 C HIS A 68 7.184 -17.172 -5.612 1.00 0.00 C ATOM 1075 O HIS A 68 7.683 -17.794 -4.680 1.00 0.00 O ATOM 1076 CB HIS A 68 9.275 -17.070 -6.995 1.00 0.00 C ATOM 1077 CG HIS A 68 10.149 -16.324 -7.975 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.931 -16.992 -8.886 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.340 -14.988 -8.129 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.575 -16.056 -9.566 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.248 -14.832 -9.143 1.00 0.00 N ATOM 0 H HIS A 68 9.235 -15.268 -5.124 1.00 0.00 H new ATOM 0 HA HIS A 68 7.469 -15.976 -7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.879 -17.351 -6.132 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.937 -17.995 -7.462 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.867 -14.200 -7.561 1.00 0.00 H new ATOM 0 HE1 HIS A 68 12.276 -16.257 -10.362 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.606 -13.949 -9.506 1.00 0.00 H new ATOM 1089 N ILE A 69 5.904 -17.216 -5.886 1.00 0.00 N ATOM 1090 CA ILE A 69 4.988 -17.979 -5.070 1.00 0.00 C ATOM 1091 C ILE A 69 4.557 -19.255 -5.783 1.00 0.00 C ATOM 1092 O ILE A 69 3.962 -19.212 -6.865 1.00 0.00 O ATOM 1093 CB ILE A 69 3.745 -17.138 -4.699 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.182 -15.811 -4.066 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.843 -17.913 -3.753 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.033 -14.923 -3.641 1.00 0.00 C ATOM 0 H ILE A 69 5.470 -16.731 -6.671 1.00 0.00 H new ATOM 0 HA ILE A 69 5.512 -18.251 -4.153 1.00 0.00 H new ATOM 0 HB ILE A 69 3.180 -16.923 -5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.805 -16.023 -3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.803 -15.268 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.973 -17.307 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.516 -18.835 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.392 -18.154 -2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.425 -14.005 -3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.422 -14.678 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.423 -15.445 -2.904 1.00 0.00 H new ATOM 1108 N VAL A 70 4.861 -20.387 -5.176 1.00 0.00 N ATOM 1109 CA VAL A 70 4.525 -21.675 -5.750 1.00 0.00 C ATOM 1110 C VAL A 70 3.702 -22.508 -4.769 1.00 0.00 C ATOM 1111 O VAL A 70 3.976 -22.524 -3.567 1.00 0.00 O ATOM 1112 CB VAL A 70 5.798 -22.470 -6.175 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.575 -21.714 -7.246 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.697 -22.755 -4.975 1.00 0.00 C ATOM 0 H VAL A 70 5.344 -20.439 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 70 3.931 -21.481 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 70 5.469 -23.423 -6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.459 -22.287 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.942 -21.570 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.881 -20.743 -6.856 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.576 -23.310 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.010 -21.814 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.148 -23.345 -4.241 1.00 0.00 H new ATOM 1124 N GLN A 71 2.681 -23.167 -5.274 1.00 0.00 N ATOM 1125 CA GLN A 71 1.849 -24.019 -4.446 1.00 0.00 C ATOM 1126 C GLN A 71 2.107 -25.478 -4.758 1.00 0.00 C ATOM 1127 O GLN A 71 2.532 -25.824 -5.865 1.00 0.00 O ATOM 1128 CB GLN A 71 0.360 -23.710 -4.648 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.138 -23.956 -6.066 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.650 -23.907 -6.182 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.344 -24.328 -5.138 1.00 0.00 O flip ATOM 1132 NE2 GLN A 71 -2.190 -23.512 -7.208 1.00 0.00 N flip ATOM 0 H GLN A 71 2.405 -23.130 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 71 2.108 -23.819 -3.406 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.224 -24.320 -3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.177 -22.668 -4.386 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.296 -23.210 -6.732 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.215 -24.930 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.622 -23.195 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.208 -23.501 -7.277 1.00 0.00 H new