USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=10 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 -140:sc= -0.952 (180deg=-2.48) USER MOD Single : A 1 MET N :NH3+ 169:sc= 1.32 (180deg=1.14) USER MOD Single : A 8 ASN : amide:sc= 1.12 K(o=1.1,f=-6.4!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 108:sc= -0.666 USER MOD Single : A 22 SER OG : rot -95:sc= 0.214 USER MOD Single : A 25 GLN : amide:sc= 0.929 K(o=0.93,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 0.336 (180deg=0.018) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc= -0.0115 (180deg=-0.173) USER MOD Single : A 34 GLN : amide:sc=-0.00427 X(o=-0.0043,f=0.48) USER MOD Single : A 40 GLN : amide:sc= -0.0864 X(o=-0.086,f=-0.58) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 1.15 (180deg=0.971) USER MOD Single : A 52 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.063) USER MOD Single : A 55 THR OG1 : rot 117:sc= 0.0821 USER MOD Single : A 57 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.7) USER MOD Single : A 58 ASN : amide:sc= -1.65! C(o=-1.7!,f=-1.5!) USER MOD Single : A 59 CYS SG : rot 130:sc= -1.84! USER MOD Single : A 63 GLN : amide:sc= -0.765 X(o=-0.76,f=-1.2) USER MOD Single : A 64 GLN : amide:sc= -0.0555 K(o=-0.056,f=-0.63) USER MOD Single : A 68 HIS : no HD1:sc= -0.62 X(o=-0.62,f=-0.94) USER MOD Single : A 71 GLN : amide:sc= -0.063 X(o=-0.063,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.082 -0.468 0.463 1.00 0.00 N ATOM 2 CA MET A 1 2.264 -1.108 -0.136 1.00 0.00 C ATOM 3 C MET A 1 1.838 -2.109 -1.193 1.00 0.00 C ATOM 4 O MET A 1 1.078 -3.025 -0.913 1.00 0.00 O ATOM 5 CB MET A 1 3.091 -1.811 0.941 1.00 0.00 C ATOM 6 CG MET A 1 4.362 -2.464 0.423 1.00 0.00 C ATOM 7 SD MET A 1 5.277 -3.320 1.719 1.00 0.00 S ATOM 8 CE MET A 1 6.706 -3.892 0.806 1.00 0.00 C ATOM 0 H1 MET A 1 1.368 0.071 1.305 1.00 0.00 H new ATOM 0 H2 MET A 1 0.647 0.175 -0.229 1.00 0.00 H new ATOM 0 H3 MET A 1 0.394 -1.198 0.737 1.00 0.00 H new ATOM 0 HA MET A 1 2.876 -0.336 -0.603 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.356 -1.086 1.711 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.474 -2.572 1.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.107 -3.172 -0.366 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.000 -1.703 -0.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.964 -4.901 1.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.478 -3.899 -0.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.548 -3.225 0.992 1.00 0.00 H new ATOM 20 N ILE A 2 2.317 -1.927 -2.403 1.00 0.00 N ATOM 21 CA ILE A 2 1.978 -2.828 -3.488 1.00 0.00 C ATOM 22 C ILE A 2 3.184 -3.663 -3.889 1.00 0.00 C ATOM 23 O ILE A 2 4.161 -3.142 -4.427 1.00 0.00 O ATOM 24 CB ILE A 2 1.442 -2.067 -4.728 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.186 -1.269 -4.357 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.142 -3.042 -5.868 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.393 -0.471 -5.503 1.00 0.00 C ATOM 0 H ILE A 2 2.942 -1.164 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 2 1.187 -3.482 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 2 2.209 -1.371 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.573 -1.957 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.427 -0.590 -3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.767 -2.490 -6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.054 -3.570 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.391 -3.762 -5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.278 0.066 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.349 0.243 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.667 -1.146 -6.314 1.00 0.00 H new ATOM 39 N VAL A 3 3.118 -4.946 -3.606 1.00 0.00 N ATOM 40 CA VAL A 3 4.189 -5.859 -3.960 1.00 0.00 C ATOM 41 C VAL A 3 3.797 -6.661 -5.188 1.00 0.00 C ATOM 42 O VAL A 3 2.642 -6.634 -5.606 1.00 0.00 O ATOM 43 CB VAL A 3 4.545 -6.824 -2.796 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.026 -6.050 -1.583 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.361 -7.707 -2.428 1.00 0.00 C ATOM 0 H VAL A 3 2.330 -5.385 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 3 5.074 -5.259 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 3 5.354 -7.470 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.270 -6.746 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.914 -5.475 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.241 -5.372 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.642 -8.371 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.524 -7.082 -2.116 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.068 -8.301 -3.293 1.00 0.00 H new ATOM 55 N PHE A 4 4.744 -7.365 -5.760 1.00 0.00 N ATOM 56 CA PHE A 4 4.480 -8.163 -6.940 1.00 0.00 C ATOM 57 C PHE A 4 4.730 -9.625 -6.637 1.00 0.00 C ATOM 58 O PHE A 4 5.733 -9.969 -6.008 1.00 0.00 O ATOM 59 CB PHE A 4 5.364 -7.705 -8.104 1.00 0.00 C ATOM 60 CG PHE A 4 5.204 -6.252 -8.454 1.00 0.00 C ATOM 61 CD1 PHE A 4 6.152 -5.322 -8.054 1.00 0.00 C ATOM 62 CD2 PHE A 4 4.109 -5.817 -9.179 1.00 0.00 C ATOM 63 CE1 PHE A 4 6.009 -3.986 -8.373 1.00 0.00 C ATOM 64 CE2 PHE A 4 3.959 -4.482 -9.500 1.00 0.00 C ATOM 65 CZ PHE A 4 4.910 -3.565 -9.097 1.00 0.00 C ATOM 0 H PHE A 4 5.708 -7.404 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 4 3.437 -8.032 -7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.407 -7.895 -7.852 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.133 -8.308 -8.982 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.012 -5.646 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.363 -6.530 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.755 -3.272 -8.057 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.099 -4.155 -10.066 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.795 -2.521 -9.347 1.00 0.00 H new ATOM 75 N VAL A 5 3.825 -10.489 -7.073 1.00 0.00 N ATOM 76 CA VAL A 5 3.969 -11.916 -6.825 1.00 0.00 C ATOM 77 C VAL A 5 3.724 -12.739 -8.077 1.00 0.00 C ATOM 78 O VAL A 5 2.955 -12.348 -8.957 1.00 0.00 O ATOM 79 CB VAL A 5 3.014 -12.414 -5.714 1.00 0.00 C ATOM 80 CG1 VAL A 5 3.304 -11.723 -4.397 1.00 0.00 C ATOM 81 CG2 VAL A 5 1.565 -12.215 -6.115 1.00 0.00 C ATOM 0 H VAL A 5 2.989 -10.230 -7.597 1.00 0.00 H new ATOM 0 HA VAL A 5 5.000 -12.053 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 5 3.187 -13.482 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.618 -12.092 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.330 -11.932 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.172 -10.647 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.914 -12.573 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.378 -11.155 -6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.360 -12.774 -7.028 1.00 0.00 H new ATOM 91 N ARG A 6 4.403 -13.860 -8.155 1.00 0.00 N ATOM 92 CA ARG A 6 4.230 -14.812 -9.231 1.00 0.00 C ATOM 93 C ARG A 6 3.565 -16.041 -8.683 1.00 0.00 C ATOM 94 O ARG A 6 3.685 -16.325 -7.498 1.00 0.00 O ATOM 95 CB ARG A 6 5.570 -15.221 -9.816 1.00 0.00 C ATOM 96 CG ARG A 6 6.353 -14.104 -10.440 1.00 0.00 C ATOM 97 CD ARG A 6 7.561 -14.660 -11.164 1.00 0.00 C ATOM 98 NE ARG A 6 8.252 -13.662 -11.974 1.00 0.00 N ATOM 99 CZ ARG A 6 9.257 -13.951 -12.804 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.658 -15.209 -12.954 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 9.848 -12.987 -13.489 1.00 0.00 N ATOM 0 H ARG A 6 5.100 -14.141 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 6 3.627 -14.348 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.172 -15.671 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.402 -15.992 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.723 -13.552 -11.138 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.672 -13.399 -9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.257 -15.072 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.246 -15.484 -11.804 1.00 0.00 H new ATOM 0 HE ARG A 6 7.951 -12.690 -11.902 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.198 -15.956 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.426 -15.427 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.536 -12.022 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 6 10.616 -13.209 -14.123 1.00 0.00 H new ATOM 115 N PHE A 7 2.885 -16.781 -9.523 1.00 0.00 N ATOM 116 CA PHE A 7 2.252 -17.993 -9.071 1.00 0.00 C ATOM 117 C PHE A 7 2.505 -19.116 -10.064 1.00 0.00 C ATOM 118 O PHE A 7 1.915 -19.141 -11.141 1.00 0.00 O ATOM 119 CB PHE A 7 0.750 -17.751 -8.903 1.00 0.00 C ATOM 120 CG PHE A 7 0.031 -18.828 -8.152 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.083 -18.870 -6.771 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.713 -19.787 -8.822 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.588 -19.845 -6.069 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.386 -20.767 -8.124 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.324 -20.796 -6.747 1.00 0.00 C ATOM 0 H PHE A 7 2.757 -16.568 -10.512 1.00 0.00 H new ATOM 0 HA PHE A 7 2.673 -18.286 -8.109 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.603 -16.803 -8.385 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.298 -17.649 -9.890 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.658 -18.128 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.766 -19.766 -9.901 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.539 -19.866 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.961 -21.511 -8.655 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.851 -21.563 -6.199 1.00 0.00 H new ATOM 135 N ASN A 8 3.394 -20.042 -9.680 1.00 0.00 N ATOM 136 CA ASN A 8 3.755 -21.230 -10.497 1.00 0.00 C ATOM 137 C ASN A 8 4.025 -20.906 -11.978 1.00 0.00 C ATOM 138 O ASN A 8 3.935 -21.788 -12.834 1.00 0.00 O ATOM 139 CB ASN A 8 2.667 -22.301 -10.392 1.00 0.00 C ATOM 140 CG ASN A 8 2.650 -22.985 -9.044 1.00 0.00 C ATOM 141 OD1 ASN A 8 1.946 -22.567 -8.132 1.00 0.00 O ATOM 142 ND2 ASN A 8 3.428 -24.042 -8.911 1.00 0.00 N ATOM 0 H ASN A 8 3.891 -19.996 -8.790 1.00 0.00 H new ATOM 0 HA ASN A 8 4.692 -21.603 -10.084 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.694 -21.844 -10.575 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.821 -23.047 -11.172 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.459 -24.544 -8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.999 -24.357 -9.696 1.00 0.00 H new ATOM 188 N GLY A 12 3.446 -12.207 -12.878 1.00 0.00 N ATOM 189 CA GLY A 12 2.356 -12.431 -11.967 1.00 0.00 C ATOM 190 C GLY A 12 1.437 -11.250 -11.843 1.00 0.00 C ATOM 191 O GLY A 12 1.086 -10.619 -12.837 1.00 0.00 O ATOM 0 HA2 GLY A 12 1.783 -13.296 -12.302 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.757 -12.676 -10.984 1.00 0.00 H new ATOM 195 N PHE A 13 1.061 -10.944 -10.626 1.00 0.00 N ATOM 196 CA PHE A 13 0.133 -9.868 -10.359 1.00 0.00 C ATOM 197 C PHE A 13 0.560 -9.075 -9.128 1.00 0.00 C ATOM 198 O PHE A 13 1.265 -9.598 -8.258 1.00 0.00 O ATOM 199 CB PHE A 13 -1.291 -10.430 -10.178 1.00 0.00 C ATOM 200 CG PHE A 13 -1.422 -11.461 -9.080 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.945 -11.114 -7.847 1.00 0.00 C ATOM 202 CD2 PHE A 13 -1.034 -12.777 -9.290 1.00 0.00 C ATOM 203 CE1 PHE A 13 -2.077 -12.055 -6.844 1.00 0.00 C ATOM 204 CE2 PHE A 13 -1.161 -13.718 -8.291 1.00 0.00 C ATOM 205 CZ PHE A 13 -1.684 -13.358 -7.067 1.00 0.00 C ATOM 0 H PHE A 13 1.388 -11.432 -9.792 1.00 0.00 H new ATOM 0 HA PHE A 13 0.135 -9.189 -11.212 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.970 -9.604 -9.967 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.615 -10.876 -11.119 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.254 -10.095 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.628 -13.067 -10.248 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.487 -11.770 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.851 -14.737 -8.467 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.786 -14.095 -6.284 1.00 0.00 H new ATOM 215 N PRO A 14 0.166 -7.797 -9.050 1.00 0.00 N ATOM 216 CA PRO A 14 0.470 -6.952 -7.908 1.00 0.00 C ATOM 217 C PRO A 14 -0.515 -7.170 -6.753 1.00 0.00 C ATOM 218 O PRO A 14 -1.703 -7.453 -6.968 1.00 0.00 O ATOM 219 CB PRO A 14 0.331 -5.542 -8.474 1.00 0.00 C ATOM 220 CG PRO A 14 -0.701 -5.663 -9.543 1.00 0.00 C ATOM 221 CD PRO A 14 -0.589 -7.064 -10.092 1.00 0.00 C ATOM 0 HA PRO A 14 1.453 -7.161 -7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.022 -4.835 -7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.278 -5.182 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.698 -5.483 -9.141 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.535 -4.925 -10.328 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.571 -7.507 -10.260 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.066 -7.078 -11.048 1.00 0.00 H new ATOM 229 N VAL A 15 -0.017 -7.061 -5.539 1.00 0.00 N ATOM 230 CA VAL A 15 -0.839 -7.220 -4.356 1.00 0.00 C ATOM 231 C VAL A 15 -0.726 -5.985 -3.475 1.00 0.00 C ATOM 232 O VAL A 15 0.372 -5.605 -3.058 1.00 0.00 O ATOM 233 CB VAL A 15 -0.434 -8.469 -3.532 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.389 -8.676 -2.365 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.396 -9.708 -4.412 1.00 0.00 C ATOM 0 H VAL A 15 0.964 -6.861 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.868 -7.352 -4.692 1.00 0.00 H new ATOM 0 HB VAL A 15 0.567 -8.301 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.087 -9.558 -1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.364 -7.802 -1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.401 -8.817 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.109 -10.572 -3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.382 -9.878 -4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.331 -9.564 -5.211 1.00 0.00 H new ATOM 245 N GLU A 16 -1.851 -5.358 -3.209 1.00 0.00 N ATOM 246 CA GLU A 16 -1.886 -4.167 -2.389 1.00 0.00 C ATOM 247 C GLU A 16 -2.151 -4.528 -0.930 1.00 0.00 C ATOM 248 O GLU A 16 -3.223 -5.027 -0.589 1.00 0.00 O ATOM 249 CB GLU A 16 -2.955 -3.208 -2.910 1.00 0.00 C ATOM 250 CG GLU A 16 -3.017 -1.882 -2.175 1.00 0.00 C ATOM 251 CD GLU A 16 -4.044 -0.948 -2.768 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.245 -1.128 -2.495 1.00 0.00 O ATOM 253 OE2 GLU A 16 -3.656 -0.023 -3.513 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.763 -5.658 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.916 -3.673 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.770 -3.016 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.928 -3.695 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.254 -2.061 -1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.037 -1.407 -2.204 1.00 0.00 H new ATOM 260 N VAL A 17 -1.164 -4.294 -0.089 1.00 0.00 N ATOM 261 CA VAL A 17 -1.269 -4.581 1.334 1.00 0.00 C ATOM 262 C VAL A 17 -0.895 -3.355 2.158 1.00 0.00 C ATOM 263 O VAL A 17 -0.497 -2.326 1.609 1.00 0.00 O ATOM 264 CB VAL A 17 -0.366 -5.770 1.749 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.856 -7.063 1.122 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.088 -5.509 1.370 1.00 0.00 C ATOM 0 H VAL A 17 -0.266 -3.900 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.307 -4.851 1.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.422 -5.871 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.207 -7.884 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.875 -7.264 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.838 -6.971 0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.701 -6.358 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.164 -5.372 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.440 -4.610 1.875 1.00 0.00 H new ATOM 276 N ASP A 18 -1.014 -3.473 3.467 1.00 0.00 N ATOM 277 CA ASP A 18 -0.683 -2.379 4.374 1.00 0.00 C ATOM 278 C ASP A 18 0.802 -2.390 4.692 1.00 0.00 C ATOM 279 O ASP A 18 1.500 -3.362 4.392 1.00 0.00 O ATOM 280 CB ASP A 18 -1.479 -2.493 5.679 1.00 0.00 C ATOM 281 CG ASP A 18 -2.974 -2.476 5.465 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.530 -1.387 5.205 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.604 -3.554 5.568 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.339 -4.320 3.933 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.944 -1.443 3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.201 -3.416 6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.203 -1.670 6.339 1.00 0.00 H new ATOM 288 N SER A 19 1.280 -1.326 5.312 1.00 0.00 N ATOM 289 CA SER A 19 2.683 -1.224 5.687 1.00 0.00 C ATOM 290 C SER A 19 3.018 -2.177 6.842 1.00 0.00 C ATOM 291 O SER A 19 4.170 -2.545 7.045 1.00 0.00 O ATOM 292 CB SER A 19 3.010 0.213 6.078 1.00 0.00 C ATOM 293 OG SER A 19 2.685 1.110 5.028 1.00 0.00 O ATOM 0 H SER A 19 0.716 -0.516 5.568 1.00 0.00 H new ATOM 0 HA SER A 19 3.290 -1.511 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.457 0.484 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.070 0.297 6.318 1.00 0.00 H new ATOM 0 HG SER A 19 2.901 2.026 5.301 1.00 0.00 H new ATOM 299 N ASP A 20 2.002 -2.579 7.584 1.00 0.00 N ATOM 300 CA ASP A 20 2.193 -3.479 8.713 1.00 0.00 C ATOM 301 C ASP A 20 1.621 -4.852 8.415 1.00 0.00 C ATOM 302 O ASP A 20 1.087 -5.522 9.299 1.00 0.00 O ATOM 303 CB ASP A 20 1.564 -2.898 9.980 1.00 0.00 C ATOM 304 CG ASP A 20 2.418 -1.821 10.611 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.156 -0.621 10.374 1.00 0.00 O ATOM 306 OD2 ASP A 20 3.363 -2.169 11.349 1.00 0.00 O1- ATOM 0 H ASP A 20 1.034 -2.298 7.427 1.00 0.00 H new ATOM 0 HA ASP A 20 3.265 -3.587 8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.584 -2.485 9.739 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.403 -3.699 10.702 1.00 0.00 H new ATOM 311 N THR A 21 1.736 -5.264 7.171 1.00 0.00 N ATOM 312 CA THR A 21 1.274 -6.572 6.756 1.00 0.00 C ATOM 313 C THR A 21 2.359 -7.604 7.017 1.00 0.00 C ATOM 314 O THR A 21 3.510 -7.408 6.638 1.00 0.00 O ATOM 315 CB THR A 21 0.922 -6.581 5.256 1.00 0.00 C ATOM 316 OG1 THR A 21 0.006 -5.528 4.977 1.00 0.00 O ATOM 317 CG2 THR A 21 0.306 -7.911 4.837 1.00 0.00 C ATOM 0 H THR A 21 2.149 -4.707 6.423 1.00 0.00 H new ATOM 0 HA THR A 21 0.379 -6.815 7.329 1.00 0.00 H new ATOM 0 HB THR A 21 1.843 -6.438 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.463 -4.821 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.070 -7.883 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.014 -8.717 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.607 -8.085 5.407 1.00 0.00 H new ATOM 325 N SER A 22 2.000 -8.677 7.676 1.00 0.00 N ATOM 326 CA SER A 22 2.940 -9.732 7.955 1.00 0.00 C ATOM 327 C SER A 22 3.042 -10.667 6.753 1.00 0.00 C ATOM 328 O SER A 22 2.097 -10.774 5.961 1.00 0.00 O ATOM 329 CB SER A 22 2.507 -10.506 9.199 1.00 0.00 C ATOM 330 OG SER A 22 3.465 -11.483 9.560 1.00 0.00 O ATOM 0 H SER A 22 1.058 -8.843 8.031 1.00 0.00 H new ATOM 0 HA SER A 22 3.921 -9.296 8.143 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.362 -9.813 10.028 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.547 -10.987 9.014 1.00 0.00 H new ATOM 0 HG SER A 22 3.216 -12.346 9.168 1.00 0.00 H new ATOM 336 N ILE A 23 4.185 -11.333 6.614 1.00 0.00 N ATOM 337 CA ILE A 23 4.408 -12.265 5.510 1.00 0.00 C ATOM 338 C ILE A 23 3.342 -13.369 5.516 1.00 0.00 C ATOM 339 O ILE A 23 2.847 -13.774 4.464 1.00 0.00 O ATOM 340 CB ILE A 23 5.824 -12.905 5.580 1.00 0.00 C ATOM 341 CG1 ILE A 23 6.908 -11.815 5.676 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.078 -13.804 4.367 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.953 -10.875 4.487 1.00 0.00 C ATOM 0 H ILE A 23 4.974 -11.245 7.254 1.00 0.00 H new ATOM 0 HA ILE A 23 4.335 -11.696 4.583 1.00 0.00 H new ATOM 0 HB ILE A 23 5.871 -13.521 6.478 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.740 -11.230 6.581 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.881 -12.295 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.075 -14.240 4.439 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.335 -14.601 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.006 -13.212 3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.743 -10.139 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.153 -11.445 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.995 -10.364 4.390 1.00 0.00 H new ATOM 355 N PHE A 24 2.980 -13.832 6.715 1.00 0.00 N ATOM 356 CA PHE A 24 1.946 -14.856 6.871 1.00 0.00 C ATOM 357 C PHE A 24 0.614 -14.348 6.340 1.00 0.00 C ATOM 358 O PHE A 24 -0.100 -15.060 5.631 1.00 0.00 O ATOM 359 CB PHE A 24 1.799 -15.245 8.344 1.00 0.00 C ATOM 360 CG PHE A 24 0.837 -16.368 8.577 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.195 -17.673 8.285 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.425 -16.123 9.090 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.314 -18.710 8.497 1.00 0.00 C ATOM 364 CE2 PHE A 24 -1.312 -17.157 9.305 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.942 -18.453 9.009 1.00 0.00 C ATOM 0 H PHE A 24 3.389 -13.513 7.593 1.00 0.00 H new ATOM 0 HA PHE A 24 2.245 -15.735 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.776 -15.529 8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.470 -14.373 8.910 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.177 -17.880 7.886 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.718 -15.110 9.325 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.605 -19.723 8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.294 -16.953 9.704 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.634 -19.265 9.178 1.00 0.00 H new ATOM 375 N GLN A 25 0.294 -13.105 6.681 1.00 0.00 N ATOM 376 CA GLN A 25 -0.944 -12.483 6.246 1.00 0.00 C ATOM 377 C GLN A 25 -0.954 -12.343 4.738 1.00 0.00 C ATOM 378 O GLN A 25 -1.917 -12.705 4.086 1.00 0.00 O ATOM 379 CB GLN A 25 -1.115 -11.115 6.899 1.00 0.00 C ATOM 380 CG GLN A 25 -1.266 -11.162 8.409 1.00 0.00 C ATOM 381 CD GLN A 25 -1.309 -9.781 9.026 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.695 -8.842 8.515 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.026 -9.645 10.122 1.00 0.00 N ATOM 0 H GLN A 25 0.882 -12.507 7.262 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.776 -13.119 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.253 -10.496 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.992 -10.628 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.179 -11.700 8.664 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.436 -11.723 8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.519 -10.448 10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.089 -8.736 10.581 1.00 0.00 H new ATOM 392 N LEU A 26 0.145 -11.829 4.194 1.00 0.00 N ATOM 393 CA LEU A 26 0.295 -11.656 2.752 1.00 0.00 C ATOM 394 C LEU A 26 0.113 -12.989 2.031 1.00 0.00 C ATOM 395 O LEU A 26 -0.566 -13.067 1.005 1.00 0.00 O ATOM 396 CB LEU A 26 1.671 -11.059 2.437 1.00 0.00 C ATOM 397 CG LEU A 26 2.038 -10.932 0.954 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.038 -10.057 0.218 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.437 -10.370 0.813 1.00 0.00 C ATOM 0 H LEU A 26 0.953 -11.522 4.736 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.475 -10.970 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.724 -10.068 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.429 -11.672 2.925 1.00 0.00 H new ATOM 0 HG LEU A 26 2.008 -11.925 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.322 -9.984 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.044 -10.497 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.030 -9.062 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.689 -10.283 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.482 -9.386 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.148 -11.036 1.302 1.00 0.00 H new ATOM 411 N LYS A 27 0.714 -14.031 2.588 1.00 0.00 N ATOM 412 CA LYS A 27 0.607 -15.375 2.044 1.00 0.00 C ATOM 413 C LYS A 27 -0.857 -15.813 1.980 1.00 0.00 C ATOM 414 O LYS A 27 -1.320 -16.333 0.960 1.00 0.00 O ATOM 415 CB LYS A 27 1.414 -16.346 2.908 1.00 0.00 C ATOM 416 CG LYS A 27 1.343 -17.791 2.455 1.00 0.00 C ATOM 417 CD LYS A 27 2.144 -18.692 3.373 1.00 0.00 C ATOM 418 CE LYS A 27 2.038 -20.135 2.937 1.00 0.00 C ATOM 419 NZ LYS A 27 2.840 -21.037 3.790 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.288 -13.967 3.428 1.00 0.00 H new ATOM 0 HA LYS A 27 1.009 -15.379 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.457 -16.030 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.057 -16.282 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.304 -18.118 2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.722 -17.875 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.189 -18.383 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.783 -18.589 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.993 -20.445 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.370 -20.225 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.231 -21.806 3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.618 -20.502 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.236 -21.438 4.535 1.00 0.00 H new ATOM 433 N GLU A 28 -1.577 -15.593 3.070 1.00 0.00 N ATOM 434 CA GLU A 28 -2.986 -15.939 3.141 1.00 0.00 C ATOM 435 C GLU A 28 -3.824 -15.054 2.220 1.00 0.00 C ATOM 436 O GLU A 28 -4.791 -15.517 1.635 1.00 0.00 O ATOM 437 CB GLU A 28 -3.493 -15.858 4.576 1.00 0.00 C ATOM 438 CG GLU A 28 -3.377 -17.165 5.348 1.00 0.00 C ATOM 439 CD GLU A 28 -4.428 -18.183 4.936 1.00 0.00 C ATOM 440 OE1 GLU A 28 -4.187 -19.398 5.106 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.510 -17.773 4.455 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.204 -15.174 3.922 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.091 -16.968 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.935 -15.085 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.537 -15.546 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.385 -17.589 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.472 -16.962 6.415 1.00 0.00 H new ATOM 448 N VAL A 29 -3.446 -13.782 2.095 1.00 0.00 N ATOM 449 CA VAL A 29 -4.149 -12.860 1.199 1.00 0.00 C ATOM 450 C VAL A 29 -4.078 -13.365 -0.238 1.00 0.00 C ATOM 451 O VAL A 29 -5.085 -13.390 -0.949 1.00 0.00 O ATOM 452 CB VAL A 29 -3.572 -11.415 1.271 1.00 0.00 C ATOM 453 CG1 VAL A 29 -4.195 -10.525 0.202 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.808 -10.815 2.650 1.00 0.00 C ATOM 0 H VAL A 29 -2.662 -13.367 2.599 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.187 -12.822 1.529 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.499 -11.473 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.775 -9.522 0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.982 -10.938 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.274 -10.478 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.399 -9.805 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.878 -10.779 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.316 -11.430 3.404 1.00 0.00 H new ATOM 464 N VAL A 30 -2.891 -13.781 -0.654 1.00 0.00 N ATOM 465 CA VAL A 30 -2.694 -14.326 -1.990 1.00 0.00 C ATOM 466 C VAL A 30 -3.504 -15.609 -2.161 1.00 0.00 C ATOM 467 O VAL A 30 -4.219 -15.784 -3.157 1.00 0.00 O ATOM 468 CB VAL A 30 -1.198 -14.614 -2.270 1.00 0.00 C ATOM 469 CG1 VAL A 30 -1.016 -15.280 -3.627 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.386 -13.329 -2.199 1.00 0.00 C ATOM 0 H VAL A 30 -2.046 -13.751 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.038 -13.579 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.837 -15.299 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.043 -15.471 -3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.563 -16.223 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.398 -14.623 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.663 -13.550 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.756 -12.623 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.482 -12.892 -1.205 1.00 0.00 H new ATOM 480 N ALA A 31 -3.409 -16.488 -1.167 1.00 0.00 N ATOM 481 CA ALA A 31 -4.136 -17.749 -1.177 1.00 0.00 C ATOM 482 C ALA A 31 -5.641 -17.512 -1.247 1.00 0.00 C ATOM 483 O ALA A 31 -6.349 -18.154 -2.021 1.00 0.00 O ATOM 484 CB ALA A 31 -3.783 -18.562 0.060 1.00 0.00 C ATOM 0 H ALA A 31 -2.830 -16.346 -0.339 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.843 -18.309 -2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.331 -19.504 0.045 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.712 -18.765 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.052 -18.000 0.954 1.00 0.00 H new ATOM 490 N LYS A 32 -6.113 -16.578 -0.440 1.00 0.00 N ATOM 491 CA LYS A 32 -7.518 -16.215 -0.387 1.00 0.00 C ATOM 492 C LYS A 32 -7.979 -15.621 -1.716 1.00 0.00 C ATOM 493 O LYS A 32 -9.066 -15.939 -2.210 1.00 0.00 O ATOM 494 CB LYS A 32 -7.726 -15.201 0.743 1.00 0.00 C ATOM 495 CG LYS A 32 -9.112 -14.590 0.808 1.00 0.00 C ATOM 496 CD LYS A 32 -9.158 -13.457 1.820 1.00 0.00 C ATOM 497 CE LYS A 32 -9.036 -13.963 3.252 1.00 0.00 C ATOM 498 NZ LYS A 32 -10.225 -14.746 3.663 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.526 -16.046 0.203 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.110 -17.110 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.516 -15.691 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.997 -14.399 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.395 -14.216 -0.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.839 -15.355 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.350 -12.754 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.094 -12.909 1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.144 -14.582 3.344 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.907 -13.117 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.210 -14.884 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.089 -14.232 3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.212 -15.672 3.189 1.00 0.00 H new ATOM 512 N ARG A 33 -7.143 -14.771 -2.290 1.00 0.00 N ATOM 513 CA ARG A 33 -7.455 -14.089 -3.538 1.00 0.00 C ATOM 514 C ARG A 33 -7.631 -15.076 -4.695 1.00 0.00 C ATOM 515 O ARG A 33 -8.630 -15.030 -5.413 1.00 0.00 O ATOM 516 CB ARG A 33 -6.354 -13.072 -3.866 1.00 0.00 C ATOM 517 CG ARG A 33 -6.650 -12.196 -5.071 1.00 0.00 C ATOM 518 CD ARG A 33 -5.538 -11.185 -5.306 1.00 0.00 C ATOM 519 NE ARG A 33 -5.842 -10.291 -6.420 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.054 -9.298 -6.842 1.00 0.00 C ATOM 521 NH1 ARG A 33 -3.892 -9.056 -6.239 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.434 -8.549 -7.866 1.00 0.00 N ATOM 0 H ARG A 33 -6.229 -14.534 -1.905 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.403 -13.567 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.196 -12.433 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.421 -13.608 -4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.770 -12.820 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.594 -11.673 -4.920 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.384 -10.598 -4.401 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.605 -11.712 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.723 -10.436 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.598 -9.630 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.296 -8.296 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.325 -8.731 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.836 -7.790 -8.192 1.00 0.00 H new ATOM 536 N GLN A 34 -6.672 -15.977 -4.857 1.00 0.00 N ATOM 537 CA GLN A 34 -6.705 -16.935 -5.963 1.00 0.00 C ATOM 538 C GLN A 34 -7.538 -18.173 -5.634 1.00 0.00 C ATOM 539 O GLN A 34 -7.836 -18.982 -6.514 1.00 0.00 O ATOM 540 CB GLN A 34 -5.292 -17.337 -6.368 1.00 0.00 C ATOM 541 CG GLN A 34 -4.448 -16.170 -6.841 1.00 0.00 C ATOM 542 CD GLN A 34 -3.089 -16.599 -7.335 1.00 0.00 C ATOM 543 OE1 GLN A 34 -2.139 -16.675 -6.571 1.00 0.00 O ATOM 544 NE2 GLN A 34 -2.990 -16.871 -8.621 1.00 0.00 N ATOM 0 H GLN A 34 -5.863 -16.068 -4.242 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.187 -16.435 -6.803 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.800 -17.812 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.347 -18.082 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.973 -15.648 -7.641 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.326 -15.460 -6.023 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.810 -16.794 -9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.094 -17.158 -9.014 1.00 0.00 H new ATOM 553 N GLY A 35 -7.909 -18.316 -4.376 1.00 0.00 N ATOM 554 CA GLY A 35 -8.722 -19.442 -3.972 1.00 0.00 C ATOM 555 C GLY A 35 -7.923 -20.719 -3.859 1.00 0.00 C ATOM 556 O GLY A 35 -8.288 -21.746 -4.441 1.00 0.00 O ATOM 0 H GLY A 35 -7.662 -17.672 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.189 -19.223 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.527 -19.583 -4.694 1.00 0.00 H new ATOM 560 N VAL A 36 -6.828 -20.658 -3.125 1.00 0.00 N ATOM 561 CA VAL A 36 -5.972 -21.817 -2.906 1.00 0.00 C ATOM 562 C VAL A 36 -5.647 -21.952 -1.419 1.00 0.00 C ATOM 563 O VAL A 36 -5.740 -20.977 -0.675 1.00 0.00 O ATOM 564 CB VAL A 36 -4.648 -21.724 -3.719 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.926 -21.713 -5.215 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.842 -20.496 -3.313 1.00 0.00 C ATOM 0 H VAL A 36 -6.504 -19.808 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.517 -22.696 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.055 -22.610 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.984 -21.647 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.444 -22.630 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.549 -20.854 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.922 -20.455 -3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.430 -19.597 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.597 -20.556 -2.253 1.00 0.00 H new ATOM 576 N PRO A 37 -5.284 -23.158 -0.953 1.00 0.00 N ATOM 577 CA PRO A 37 -4.930 -23.387 0.442 1.00 0.00 C ATOM 578 C PRO A 37 -3.495 -22.953 0.740 1.00 0.00 C ATOM 579 O PRO A 37 -2.552 -23.382 0.069 1.00 0.00 O ATOM 580 CB PRO A 37 -5.067 -24.915 0.614 1.00 0.00 C ATOM 581 CG PRO A 37 -5.548 -25.437 -0.709 1.00 0.00 C ATOM 582 CD PRO A 37 -5.205 -24.393 -1.728 1.00 0.00 C ATOM 0 HA PRO A 37 -5.563 -22.815 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.112 -25.364 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.772 -25.157 1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.069 -26.386 -0.949 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.622 -25.619 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.211 -24.546 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.906 -24.394 -2.562 1.00 0.00 H new ATOM 590 N ALA A 38 -3.328 -22.121 1.751 1.00 0.00 N ATOM 591 CA ALA A 38 -2.010 -21.639 2.131 1.00 0.00 C ATOM 592 C ALA A 38 -1.207 -22.729 2.861 1.00 0.00 C ATOM 593 O ALA A 38 -0.026 -22.547 3.153 1.00 0.00 O ATOM 594 CB ALA A 38 -2.120 -20.373 2.971 1.00 0.00 C ATOM 0 H ALA A 38 -4.090 -21.763 2.326 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.466 -21.390 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.122 -20.030 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.626 -19.597 2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.691 -20.585 3.875 1.00 0.00 H new ATOM 600 N ASP A 39 -1.867 -23.862 3.139 1.00 0.00 N ATOM 601 CA ASP A 39 -1.223 -25.018 3.791 1.00 0.00 C ATOM 602 C ASP A 39 -0.004 -25.487 3.007 1.00 0.00 C ATOM 603 O ASP A 39 1.101 -25.585 3.545 1.00 0.00 O ATOM 604 CB ASP A 39 -2.203 -26.198 3.915 1.00 0.00 C ATOM 605 CG ASP A 39 -3.112 -26.114 5.119 1.00 0.00 C ATOM 606 OD1 ASP A 39 -4.202 -25.525 5.006 1.00 0.00 O ATOM 607 OD2 ASP A 39 -2.748 -26.657 6.185 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.853 -24.006 2.922 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.914 -24.688 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.814 -26.247 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.634 -27.126 3.965 1.00 0.00 H new ATOM 612 N GLN A 40 -0.216 -25.779 1.735 1.00 0.00 N ATOM 613 CA GLN A 40 0.846 -26.289 0.880 1.00 0.00 C ATOM 614 C GLN A 40 1.439 -25.190 0.015 1.00 0.00 C ATOM 615 O GLN A 40 2.295 -25.446 -0.836 1.00 0.00 O ATOM 616 CB GLN A 40 0.320 -27.424 0.005 1.00 0.00 C ATOM 617 CG GLN A 40 -0.160 -28.633 0.793 1.00 0.00 C ATOM 618 CD GLN A 40 0.942 -29.258 1.629 1.00 0.00 C ATOM 619 OE1 GLN A 40 2.121 -29.224 1.263 1.00 0.00 O ATOM 620 NE2 GLN A 40 0.570 -29.832 2.755 1.00 0.00 N ATOM 0 H GLN A 40 -1.117 -25.672 1.269 1.00 0.00 H new ATOM 0 HA GLN A 40 1.638 -26.672 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.502 -27.049 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.108 -27.738 -0.680 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.981 -28.335 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.555 -29.379 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.414 -29.839 3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.266 -30.269 3.359 1.00 0.00 H new ATOM 629 N LEU A 41 0.992 -23.971 0.243 1.00 0.00 N ATOM 630 CA LEU A 41 1.478 -22.832 -0.505 1.00 0.00 C ATOM 631 C LEU A 41 2.864 -22.449 -0.007 1.00 0.00 C ATOM 632 O LEU A 41 3.085 -22.328 1.195 1.00 0.00 O ATOM 633 CB LEU A 41 0.513 -21.655 -0.343 1.00 0.00 C ATOM 634 CG LEU A 41 0.789 -20.432 -1.216 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.624 -20.780 -2.682 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.131 -19.285 -0.832 1.00 0.00 C ATOM 0 H LEU A 41 0.288 -23.745 0.946 1.00 0.00 H new ATOM 0 HA LEU A 41 1.540 -23.092 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.496 -22.007 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.527 -21.341 0.701 1.00 0.00 H new ATOM 0 HG LEU A 41 1.819 -20.115 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.824 -19.898 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.324 -21.571 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.395 -21.121 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.080 -18.422 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.169 -19.590 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.035 -19.019 0.212 1.00 0.00 H new ATOM 648 N ARG A 42 3.794 -22.272 -0.919 1.00 0.00 N ATOM 649 CA ARG A 42 5.149 -21.924 -0.547 1.00 0.00 C ATOM 650 C ARG A 42 5.562 -20.610 -1.191 1.00 0.00 C ATOM 651 O ARG A 42 5.362 -20.407 -2.388 1.00 0.00 O ATOM 652 CB ARG A 42 6.108 -23.046 -0.944 1.00 0.00 C ATOM 653 CG ARG A 42 7.528 -22.853 -0.450 1.00 0.00 C ATOM 654 CD ARG A 42 7.557 -22.632 1.051 1.00 0.00 C ATOM 655 NE ARG A 42 8.911 -22.703 1.593 1.00 0.00 N ATOM 656 CZ ARG A 42 9.215 -23.274 2.762 1.00 0.00 C ATOM 657 NH1 ARG A 42 8.259 -23.800 3.520 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 10.471 -23.316 3.171 1.00 0.00 N ATOM 0 H ARG A 42 3.638 -22.363 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 42 5.192 -21.797 0.535 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.725 -23.990 -0.556 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.121 -23.130 -2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.127 -23.728 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.980 -21.999 -0.956 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.126 -21.658 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.932 -23.380 1.539 1.00 0.00 H new ATOM 0 HE ARG A 42 9.669 -22.293 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.288 -23.769 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.496 -24.235 4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.209 -22.912 2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.702 -23.752 4.064 1.00 0.00 H new ATOM 672 N VAL A 43 6.130 -19.717 -0.395 1.00 0.00 N ATOM 673 CA VAL A 43 6.543 -18.420 -0.895 1.00 0.00 C ATOM 674 C VAL A 43 8.067 -18.241 -0.828 1.00 0.00 C ATOM 675 O VAL A 43 8.688 -18.475 0.207 1.00 0.00 O ATOM 676 CB VAL A 43 5.839 -17.257 -0.133 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.330 -17.325 -0.328 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.178 -17.283 1.355 1.00 0.00 C ATOM 0 H VAL A 43 6.314 -19.868 0.597 1.00 0.00 H new ATOM 0 HA VAL A 43 6.238 -18.382 -1.941 1.00 0.00 H new ATOM 0 HB VAL A 43 6.207 -16.319 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.856 -16.505 0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.096 -17.244 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.956 -18.275 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.672 -16.459 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.850 -18.229 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.255 -17.180 1.485 1.00 0.00 H new ATOM 688 N ILE A 44 8.660 -17.865 -1.954 1.00 0.00 N ATOM 689 CA ILE A 44 10.093 -17.601 -2.029 1.00 0.00 C ATOM 690 C ILE A 44 10.330 -16.180 -2.537 1.00 0.00 C ATOM 691 O ILE A 44 9.815 -15.790 -3.581 1.00 0.00 O ATOM 692 CB ILE A 44 10.850 -18.622 -2.959 1.00 0.00 C ATOM 693 CG1 ILE A 44 11.100 -19.960 -2.242 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.173 -18.045 -3.455 1.00 0.00 C ATOM 695 CD1 ILE A 44 9.871 -20.815 -2.061 1.00 0.00 C ATOM 0 H ILE A 44 8.166 -17.735 -2.837 1.00 0.00 H new ATOM 0 HA ILE A 44 10.493 -17.718 -1.022 1.00 0.00 H new ATOM 0 HB ILE A 44 10.205 -18.806 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.841 -20.527 -2.806 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.533 -19.757 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.671 -18.774 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.983 -17.134 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.812 -17.814 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.142 -21.737 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.134 -20.272 -1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.447 -21.054 -3.036 1.00 0.00 H new ATOM 707 N PHE A 45 11.093 -15.415 -1.794 1.00 0.00 N ATOM 708 CA PHE A 45 11.399 -14.058 -2.176 1.00 0.00 C ATOM 709 C PHE A 45 12.896 -13.875 -2.351 1.00 0.00 C ATOM 710 O PHE A 45 13.653 -13.878 -1.375 1.00 0.00 O ATOM 711 CB PHE A 45 10.850 -13.063 -1.151 1.00 0.00 C ATOM 712 CG PHE A 45 11.286 -11.645 -1.399 1.00 0.00 C ATOM 713 CD1 PHE A 45 10.936 -10.995 -2.571 1.00 0.00 C ATOM 714 CD2 PHE A 45 12.046 -10.967 -0.463 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.340 -9.697 -2.803 1.00 0.00 C ATOM 716 CE2 PHE A 45 12.451 -9.669 -0.689 1.00 0.00 C ATOM 717 CZ PHE A 45 12.098 -9.035 -1.858 1.00 0.00 C ATOM 0 H PHE A 45 11.516 -15.712 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 45 10.915 -13.860 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.761 -13.107 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.172 -13.365 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.341 -11.510 -3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.325 -11.461 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.064 -9.200 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.044 -9.151 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.414 -8.018 -2.037 1.00 0.00 H new ATOM 727 N ALA A 46 13.309 -13.729 -3.600 1.00 0.00 N ATOM 728 CA ALA A 46 14.704 -13.521 -3.951 1.00 0.00 C ATOM 729 C ALA A 46 15.594 -14.667 -3.473 1.00 0.00 C ATOM 730 O ALA A 46 16.412 -14.501 -2.568 1.00 0.00 O ATOM 731 CB ALA A 46 15.209 -12.174 -3.433 1.00 0.00 C ATOM 0 H ALA A 46 12.681 -13.752 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 46 14.761 -13.506 -5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.255 -12.046 -3.711 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.617 -11.371 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.115 -12.143 -2.347 1.00 0.00 H new ATOM 737 N GLY A 47 15.371 -15.841 -4.040 1.00 0.00 N ATOM 738 CA GLY A 47 16.222 -16.987 -3.774 1.00 0.00 C ATOM 739 C GLY A 47 15.953 -17.708 -2.457 1.00 0.00 C ATOM 740 O GLY A 47 16.488 -18.791 -2.230 1.00 0.00 O ATOM 0 H GLY A 47 14.606 -16.025 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.107 -17.701 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.261 -16.657 -3.783 1.00 0.00 H new ATOM 744 N LYS A 48 15.140 -17.131 -1.589 1.00 0.00 N ATOM 745 CA LYS A 48 14.871 -17.758 -0.299 1.00 0.00 C ATOM 746 C LYS A 48 13.503 -17.383 0.250 1.00 0.00 C ATOM 747 O LYS A 48 12.935 -16.362 -0.120 1.00 0.00 O ATOM 748 CB LYS A 48 15.992 -17.413 0.713 1.00 0.00 C ATOM 749 CG LYS A 48 16.405 -15.934 0.745 1.00 0.00 C ATOM 750 CD LYS A 48 15.369 -15.057 1.432 1.00 0.00 C ATOM 751 CE LYS A 48 15.767 -13.589 1.393 1.00 0.00 C ATOM 752 NZ LYS A 48 15.874 -13.079 0.002 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.660 -16.245 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 48 14.861 -18.837 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.663 -17.704 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.870 -18.015 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.359 -15.837 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.558 -15.580 -0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.402 -15.186 0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.250 -15.376 2.468 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.031 -12.999 1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.722 -13.459 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.826 -12.040 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.780 -13.381 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.091 -13.458 -0.568 1.00 0.00 H new ATOM 766 N GLU A 49 12.979 -18.222 1.121 1.00 0.00 N ATOM 767 CA GLU A 49 11.699 -17.971 1.757 1.00 0.00 C ATOM 768 C GLU A 49 11.877 -17.024 2.935 1.00 0.00 C ATOM 769 O GLU A 49 13.006 -16.756 3.363 1.00 0.00 O ATOM 770 CB GLU A 49 11.030 -19.279 2.216 1.00 0.00 C ATOM 771 CG GLU A 49 11.889 -20.151 3.122 1.00 0.00 C ATOM 772 CD GLU A 49 12.894 -20.988 2.359 1.00 0.00 C ATOM 773 OE1 GLU A 49 12.572 -22.146 2.031 1.00 0.00 O ATOM 774 OE2 GLU A 49 14.008 -20.497 2.093 1.00 0.00 O1- ATOM 0 H GLU A 49 13.425 -19.093 1.408 1.00 0.00 H new ATOM 0 HA GLU A 49 11.044 -17.506 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.106 -19.034 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.752 -19.858 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.418 -19.516 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.243 -20.809 3.703 1.00 0.00 H new ATOM 781 N LEU A 50 10.775 -16.527 3.461 1.00 0.00 N ATOM 782 CA LEU A 50 10.826 -15.561 4.544 1.00 0.00 C ATOM 783 C LEU A 50 10.118 -16.086 5.772 1.00 0.00 C ATOM 784 O LEU A 50 9.320 -17.029 5.692 1.00 0.00 O ATOM 785 CB LEU A 50 10.154 -14.255 4.115 1.00 0.00 C ATOM 786 CG LEU A 50 10.550 -13.712 2.745 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.731 -12.484 2.407 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.037 -13.393 2.696 1.00 0.00 C ATOM 0 H LEU A 50 9.833 -16.775 3.157 1.00 0.00 H new ATOM 0 HA LEU A 50 11.875 -15.384 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.075 -14.406 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.376 -13.494 4.863 1.00 0.00 H new ATOM 0 HG LEU A 50 10.345 -14.482 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.025 -12.109 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.673 -12.745 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.904 -11.713 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.294 -13.008 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.273 -12.643 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.610 -14.299 2.892 1.00 0.00 H new ATOM 800 N ARG A 51 10.421 -15.479 6.910 1.00 0.00 N ATOM 801 CA ARG A 51 9.736 -15.787 8.154 1.00 0.00 C ATOM 802 C ARG A 51 8.262 -15.394 8.027 1.00 0.00 C ATOM 803 O ARG A 51 7.930 -14.457 7.304 1.00 0.00 O ATOM 804 CB ARG A 51 10.390 -15.051 9.343 1.00 0.00 C ATOM 805 CG ARG A 51 10.162 -13.536 9.370 1.00 0.00 C ATOM 806 CD ARG A 51 10.947 -12.807 8.287 1.00 0.00 C ATOM 807 NE ARG A 51 12.390 -12.979 8.443 1.00 0.00 N ATOM 808 CZ ARG A 51 13.312 -12.314 7.748 1.00 0.00 C ATOM 809 NH1 ARG A 51 12.952 -11.441 6.808 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 14.598 -12.532 7.990 1.00 0.00 N ATOM 0 H ARG A 51 11.144 -14.764 6.996 1.00 0.00 H new ATOM 0 HA ARG A 51 9.813 -16.857 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.007 -15.478 10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.463 -15.242 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.099 -13.330 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.449 -13.146 10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.642 -13.177 7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.704 -11.745 8.316 1.00 0.00 H new ATOM 0 HE ARG A 51 12.714 -13.656 9.133 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.964 -11.277 6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.665 -10.936 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.876 -13.205 8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.309 -12.026 7.462 1.00 0.00 H new ATOM 824 N ASN A 52 7.395 -16.085 8.728 1.00 0.00 N ATOM 825 CA ASN A 52 5.960 -15.848 8.594 1.00 0.00 C ATOM 826 C ASN A 52 5.456 -14.730 9.507 1.00 0.00 C ATOM 827 O ASN A 52 4.449 -14.101 9.210 1.00 0.00 O ATOM 828 CB ASN A 52 5.163 -17.142 8.847 1.00 0.00 C ATOM 829 CG ASN A 52 5.270 -17.646 10.280 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.194 -18.385 10.617 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.326 -17.258 11.124 1.00 0.00 N ATOM 0 H ASN A 52 7.646 -16.814 9.396 1.00 0.00 H new ATOM 0 HA ASN A 52 5.797 -15.522 7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.114 -16.967 8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.519 -17.918 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.348 -17.573 12.094 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.577 -16.644 10.804 1.00 0.00 H new ATOM 838 N ASP A 53 6.155 -14.463 10.596 1.00 0.00 N ATOM 839 CA ASP A 53 5.679 -13.470 11.552 1.00 0.00 C ATOM 840 C ASP A 53 6.555 -12.225 11.553 1.00 0.00 C ATOM 841 O ASP A 53 7.316 -11.984 12.493 1.00 0.00 O ATOM 842 CB ASP A 53 5.596 -14.073 12.963 1.00 0.00 C ATOM 843 CG ASP A 53 4.766 -13.228 13.914 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.523 -13.332 13.875 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.344 -12.465 14.713 1.00 0.00 O1- ATOM 0 H ASP A 53 7.039 -14.909 10.841 1.00 0.00 H new ATOM 0 HA ASP A 53 4.679 -13.169 11.241 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.166 -15.073 12.902 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.603 -14.184 13.366 1.00 0.00 H new ATOM 850 N TRP A 54 6.472 -11.453 10.484 1.00 0.00 N ATOM 851 CA TRP A 54 7.228 -10.216 10.369 1.00 0.00 C ATOM 852 C TRP A 54 6.658 -9.349 9.233 1.00 0.00 C ATOM 853 O TRP A 54 6.010 -9.870 8.322 1.00 0.00 O ATOM 854 CB TRP A 54 8.696 -10.543 10.130 1.00 0.00 C ATOM 855 CG TRP A 54 9.621 -9.391 10.297 1.00 0.00 C ATOM 856 CD1 TRP A 54 9.857 -8.676 11.436 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.449 -8.840 9.295 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.784 -7.699 11.186 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.167 -7.782 9.876 1.00 0.00 C ATOM 860 CE3 TRP A 54 10.651 -9.138 7.957 1.00 0.00 C ATOM 861 CZ2 TRP A 54 12.073 -7.023 9.157 1.00 0.00 C ATOM 862 CZ3 TRP A 54 11.554 -8.384 7.240 1.00 0.00 C ATOM 863 CH2 TRP A 54 12.257 -7.338 7.843 1.00 0.00 C ATOM 0 H TRP A 54 5.884 -11.662 9.677 1.00 0.00 H new ATOM 0 HA TRP A 54 7.144 -9.647 11.295 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.995 -11.335 10.817 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.807 -10.938 9.120 1.00 0.00 H new ATOM 0 HD1 TRP A 54 9.384 -8.854 12.390 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.131 -7.022 11.865 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.111 -9.946 7.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.615 -6.211 9.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.721 -8.605 6.196 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.961 -6.767 7.256 1.00 0.00 H new ATOM 874 N THR A 55 6.901 -8.037 9.297 1.00 0.00 N ATOM 875 CA THR A 55 6.354 -7.088 8.329 1.00 0.00 C ATOM 876 C THR A 55 6.963 -7.242 6.931 1.00 0.00 C ATOM 877 O THR A 55 8.153 -7.529 6.771 1.00 0.00 O ATOM 878 CB THR A 55 6.527 -5.622 8.810 1.00 0.00 C ATOM 879 OG1 THR A 55 6.041 -4.708 7.812 1.00 0.00 O ATOM 880 CG2 THR A 55 7.985 -5.311 9.114 1.00 0.00 C ATOM 0 H THR A 55 7.480 -7.606 10.018 1.00 0.00 H new ATOM 0 HA THR A 55 5.292 -7.322 8.257 1.00 0.00 H new ATOM 0 HB THR A 55 5.948 -5.503 9.726 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.284 -4.202 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.074 -4.277 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.344 -5.978 9.898 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.583 -5.454 8.214 1.00 0.00 H new ATOM 888 N VAL A 56 6.124 -7.038 5.929 1.00 0.00 N ATOM 889 CA VAL A 56 6.523 -7.117 4.539 1.00 0.00 C ATOM 890 C VAL A 56 7.209 -5.817 4.089 1.00 0.00 C ATOM 891 O VAL A 56 8.062 -5.829 3.194 1.00 0.00 O ATOM 892 CB VAL A 56 5.291 -7.402 3.627 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.259 -6.287 3.726 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.715 -7.608 2.186 1.00 0.00 C ATOM 0 H VAL A 56 5.138 -6.811 6.062 1.00 0.00 H new ATOM 0 HA VAL A 56 7.233 -7.939 4.445 1.00 0.00 H new ATOM 0 HB VAL A 56 4.828 -8.323 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.413 -6.516 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.914 -6.201 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.710 -5.345 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.836 -7.805 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.217 -6.711 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.397 -8.456 2.125 1.00 0.00 H new ATOM 904 N GLN A 57 6.859 -4.709 4.741 1.00 0.00 N ATOM 905 CA GLN A 57 7.384 -3.397 4.370 1.00 0.00 C ATOM 906 C GLN A 57 8.889 -3.344 4.576 1.00 0.00 C ATOM 907 O GLN A 57 9.628 -2.876 3.712 1.00 0.00 O ATOM 908 CB GLN A 57 6.685 -2.293 5.187 1.00 0.00 C ATOM 909 CG GLN A 57 6.816 -0.874 4.611 1.00 0.00 C ATOM 910 CD GLN A 57 8.196 -0.257 4.799 1.00 0.00 C ATOM 911 OE1 GLN A 57 8.898 -0.545 5.771 1.00 0.00 O ATOM 912 NE2 GLN A 57 8.588 0.597 3.875 1.00 0.00 N ATOM 0 H GLN A 57 6.213 -4.695 5.530 1.00 0.00 H new ATOM 0 HA GLN A 57 7.180 -3.228 3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.626 -2.539 5.269 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.093 -2.297 6.198 1.00 0.00 H new ATOM 0 HG2 GLN A 57 6.583 -0.902 3.547 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.074 -0.231 5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.978 0.809 3.085 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.501 1.046 3.950 1.00 0.00 H new ATOM 921 N ASN A 58 9.341 -3.857 5.704 1.00 0.00 N ATOM 922 CA ASN A 58 10.760 -3.829 6.036 1.00 0.00 C ATOM 923 C ASN A 58 11.506 -4.969 5.345 1.00 0.00 C ATOM 924 O ASN A 58 12.713 -5.107 5.490 1.00 0.00 O ATOM 925 CB ASN A 58 10.958 -3.918 7.558 1.00 0.00 C ATOM 926 CG ASN A 58 12.382 -3.565 8.007 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.876 -4.087 9.003 1.00 0.00 O ATOM 928 ND2 ASN A 58 13.037 -2.673 7.289 1.00 0.00 N ATOM 0 H ASN A 58 8.750 -4.299 6.408 1.00 0.00 H new ATOM 0 HA ASN A 58 11.169 -2.883 5.680 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.253 -3.247 8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.720 -4.929 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.982 -2.398 7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.598 -2.258 6.467 1.00 0.00 H new ATOM 935 N CYS A 59 10.784 -5.782 4.593 1.00 0.00 N ATOM 936 CA CYS A 59 11.395 -6.909 3.914 1.00 0.00 C ATOM 937 C CYS A 59 11.699 -6.568 2.443 1.00 0.00 C ATOM 938 O CYS A 59 12.451 -7.284 1.773 1.00 0.00 O ATOM 939 CB CYS A 59 10.503 -8.141 4.027 1.00 0.00 C ATOM 940 SG CYS A 59 11.362 -9.712 3.772 1.00 0.00 S ATOM 0 H CYS A 59 9.781 -5.683 4.438 1.00 0.00 H new ATOM 0 HA CYS A 59 12.345 -7.133 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.040 -8.150 5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.697 -8.059 3.298 1.00 0.00 H new ATOM 0 HG CYS A 59 11.078 -10.525 4.746 1.00 0.00 H new ATOM 946 N ASP A 60 11.103 -5.462 1.959 1.00 0.00 N ATOM 947 CA ASP A 60 11.365 -4.919 0.601 1.00 0.00 C ATOM 948 C ASP A 60 10.886 -5.859 -0.526 1.00 0.00 C ATOM 949 O ASP A 60 11.549 -5.968 -1.566 1.00 0.00 O ATOM 950 CB ASP A 60 12.872 -4.630 0.407 1.00 0.00 C ATOM 951 CG ASP A 60 13.510 -3.879 1.566 1.00 0.00 C ATOM 952 OD1 ASP A 60 13.181 -2.696 1.772 1.00 0.00 O ATOM 953 OD2 ASP A 60 14.363 -4.474 2.268 1.00 0.00 O1- ATOM 0 H ASP A 60 10.426 -4.916 2.493 1.00 0.00 H new ATOM 0 HA ASP A 60 10.792 -3.994 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.398 -5.574 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.006 -4.050 -0.506 1.00 0.00 H new ATOM 958 N LEU A 61 9.723 -6.496 -0.351 1.00 0.00 N ATOM 959 CA LEU A 61 9.203 -7.444 -1.370 1.00 0.00 C ATOM 960 C LEU A 61 8.841 -6.770 -2.694 1.00 0.00 C ATOM 961 O LEU A 61 8.722 -7.436 -3.718 1.00 0.00 O ATOM 962 CB LEU A 61 8.001 -8.257 -0.856 1.00 0.00 C ATOM 963 CG LEU A 61 8.340 -9.493 -0.016 1.00 0.00 C ATOM 964 CD1 LEU A 61 8.978 -9.099 1.287 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.102 -10.344 0.226 1.00 0.00 C ATOM 0 H LEU A 61 9.125 -6.383 0.468 1.00 0.00 H new ATOM 0 HA LEU A 61 10.031 -8.127 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.370 -7.598 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.409 -8.576 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 61 9.057 -10.092 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.209 -9.994 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.897 -8.547 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.291 -8.469 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.370 -11.215 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.354 -9.755 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.694 -10.673 -0.730 1.00 0.00 H new ATOM 977 N ASP A 62 8.670 -5.464 -2.679 1.00 0.00 N ATOM 978 CA ASP A 62 8.307 -4.743 -3.894 1.00 0.00 C ATOM 979 C ASP A 62 9.538 -4.163 -4.573 1.00 0.00 C ATOM 980 O ASP A 62 9.440 -3.548 -5.635 1.00 0.00 O ATOM 981 CB ASP A 62 7.308 -3.621 -3.581 1.00 0.00 C ATOM 982 CG ASP A 62 7.913 -2.496 -2.765 1.00 0.00 C ATOM 983 OD1 ASP A 62 8.408 -2.762 -1.651 1.00 0.00 O ATOM 984 OD2 ASP A 62 7.871 -1.333 -3.228 1.00 0.00 O1- ATOM 0 H ASP A 62 8.774 -4.879 -1.850 1.00 0.00 H new ATOM 0 HA ASP A 62 7.838 -5.455 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.921 -3.216 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.459 -4.039 -3.039 1.00 0.00 H new ATOM 989 N GLN A 63 10.694 -4.375 -3.973 1.00 0.00 N ATOM 990 CA GLN A 63 11.934 -3.825 -4.496 1.00 0.00 C ATOM 991 C GLN A 63 12.749 -4.867 -5.252 1.00 0.00 C ATOM 992 O GLN A 63 13.133 -4.648 -6.401 1.00 0.00 O ATOM 993 CB GLN A 63 12.764 -3.238 -3.364 1.00 0.00 C ATOM 994 CG GLN A 63 12.099 -2.069 -2.662 1.00 0.00 C ATOM 995 CD GLN A 63 12.851 -1.637 -1.430 1.00 0.00 C ATOM 996 OE1 GLN A 63 14.072 -1.785 -1.347 1.00 0.00 O ATOM 997 NE2 GLN A 63 12.137 -1.104 -0.464 1.00 0.00 N ATOM 0 H GLN A 63 10.802 -4.925 -3.121 1.00 0.00 H new ATOM 0 HA GLN A 63 11.669 -3.038 -5.203 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.970 -4.020 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.725 -2.912 -3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.024 -1.229 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.082 -2.346 -2.385 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.128 -1.000 -0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.592 -0.795 0.395 1.00 0.00 H new ATOM 1006 N GLN A 64 13.011 -5.997 -4.613 1.00 0.00 N ATOM 1007 CA GLN A 64 13.828 -7.043 -5.225 1.00 0.00 C ATOM 1008 C GLN A 64 13.018 -7.878 -6.213 1.00 0.00 C ATOM 1009 O GLN A 64 12.513 -8.946 -5.872 1.00 0.00 O ATOM 1010 CB GLN A 64 14.463 -7.938 -4.158 1.00 0.00 C ATOM 1011 CG GLN A 64 15.365 -7.190 -3.184 1.00 0.00 C ATOM 1012 CD GLN A 64 16.561 -6.552 -3.867 1.00 0.00 C ATOM 1013 OE1 GLN A 64 17.067 -7.062 -4.868 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.016 -5.437 -3.335 1.00 0.00 N ATOM 0 H GLN A 64 12.674 -6.216 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 64 14.627 -6.550 -5.780 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.672 -8.436 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.044 -8.718 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.786 -6.418 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.715 -7.880 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.568 -5.048 -2.505 1.00 0.00 H new ATOM 0 HE22 GLN A 64 17.817 -4.962 -3.752 1.00 0.00 H new ATOM 1037 N ILE A 66 10.482 -9.637 -7.884 1.00 0.00 N ATOM 1038 CA ILE A 66 9.156 -10.114 -7.624 1.00 0.00 C ATOM 1039 C ILE A 66 9.206 -11.373 -6.744 1.00 0.00 C ATOM 1040 O ILE A 66 10.213 -12.098 -6.734 1.00 0.00 O ATOM 1041 CB ILE A 66 8.441 -10.419 -8.969 1.00 0.00 C ATOM 1042 CG1 ILE A 66 6.969 -10.740 -8.764 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.132 -11.561 -9.689 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.170 -10.759 -10.050 1.00 0.00 C ATOM 0 HA ILE A 66 8.596 -9.346 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 66 8.502 -9.521 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.882 -11.711 -8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.536 -10.004 -8.087 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.619 -11.762 -10.629 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.168 -11.289 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.107 -12.454 -9.064 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.129 -10.995 -9.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.227 -9.781 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.578 -11.515 -10.721 1.00 0.00 H new ATOM 1056 N VAL A 67 8.138 -11.625 -6.007 1.00 0.00 N ATOM 1057 CA VAL A 67 8.060 -12.789 -5.137 1.00 0.00 C ATOM 1058 C VAL A 67 7.610 -14.015 -5.928 1.00 0.00 C ATOM 1059 O VAL A 67 6.661 -13.944 -6.706 1.00 0.00 O ATOM 1060 CB VAL A 67 7.064 -12.553 -3.982 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.139 -13.675 -2.954 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.303 -11.202 -3.331 1.00 0.00 C ATOM 0 H VAL A 67 7.306 -11.035 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 67 9.055 -12.957 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 67 6.058 -12.553 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.426 -13.482 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.898 -14.624 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.146 -13.723 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.589 -11.058 -2.520 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.317 -11.164 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.174 -10.413 -4.072 1.00 0.00 H new ATOM 1072 N HIS A 68 8.286 -15.125 -5.730 1.00 0.00 N ATOM 1073 CA HIS A 68 7.939 -16.361 -6.411 1.00 0.00 C ATOM 1074 C HIS A 68 7.107 -17.250 -5.502 1.00 0.00 C ATOM 1075 O HIS A 68 7.609 -17.796 -4.521 1.00 0.00 O ATOM 1076 CB HIS A 68 9.199 -17.107 -6.869 1.00 0.00 C ATOM 1077 CG HIS A 68 9.843 -16.534 -8.099 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.377 -17.352 -9.069 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.032 -15.238 -8.460 1.00 0.00 C ATOM 1080 CE1 HIS A 68 10.876 -16.540 -9.989 1.00 0.00 C ATOM 1081 NE2 HIS A 68 10.692 -15.253 -9.663 1.00 0.00 N ATOM 0 H HIS A 68 9.084 -15.201 -5.100 1.00 0.00 H new ATOM 0 HA HIS A 68 7.351 -16.108 -7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.926 -17.102 -6.057 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.941 -18.149 -7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.722 -14.364 -7.907 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.370 -16.874 -10.890 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.986 -14.441 -10.205 1.00 0.00 H new ATOM 1089 N ILE A 69 5.839 -17.375 -5.816 1.00 0.00 N ATOM 1090 CA ILE A 69 4.945 -18.194 -5.033 1.00 0.00 C ATOM 1091 C ILE A 69 4.595 -19.466 -5.794 1.00 0.00 C ATOM 1092 O ILE A 69 4.255 -19.422 -6.982 1.00 0.00 O ATOM 1093 CB ILE A 69 3.646 -17.427 -4.677 1.00 0.00 C ATOM 1094 CG1 ILE A 69 3.980 -16.126 -3.938 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.722 -18.296 -3.840 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.761 -15.339 -3.511 1.00 0.00 C ATOM 0 H ILE A 69 5.401 -16.916 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 69 5.457 -18.453 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 69 3.129 -17.176 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.576 -16.362 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.598 -15.501 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.816 -17.739 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.459 -19.193 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.227 -18.580 -2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.076 -14.432 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.175 -15.071 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.153 -15.946 -2.840 1.00 0.00 H new ATOM 1108 N VAL A 70 4.702 -20.598 -5.123 1.00 0.00 N ATOM 1109 CA VAL A 70 4.384 -21.871 -5.733 1.00 0.00 C ATOM 1110 C VAL A 70 3.379 -22.645 -4.888 1.00 0.00 C ATOM 1111 O VAL A 70 3.481 -22.692 -3.659 1.00 0.00 O ATOM 1112 CB VAL A 70 5.652 -22.736 -5.980 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.562 -22.076 -7.008 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.408 -22.988 -4.682 1.00 0.00 C ATOM 0 H VAL A 70 5.008 -20.659 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 70 3.938 -21.652 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 70 5.327 -23.699 -6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.443 -22.698 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.025 -21.962 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.870 -21.095 -6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.290 -23.595 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.716 -22.036 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.760 -23.513 -3.980 1.00 0.00 H new ATOM 1124 N GLN A 71 2.403 -23.218 -5.548 1.00 0.00 N ATOM 1125 CA GLN A 71 1.377 -23.993 -4.889 1.00 0.00 C ATOM 1126 C GLN A 71 1.455 -25.444 -5.321 1.00 0.00 C ATOM 1127 O GLN A 71 1.534 -25.743 -6.517 1.00 0.00 O ATOM 1128 CB GLN A 71 -0.003 -23.419 -5.224 1.00 0.00 C ATOM 1129 CG GLN A 71 -1.179 -24.209 -4.666 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.197 -24.262 -3.154 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -0.643 -25.172 -2.544 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -1.825 -23.282 -2.543 1.00 0.00 N ATOM 0 H GLN A 71 2.296 -23.161 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 71 1.533 -23.941 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.057 -22.398 -4.845 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.104 -23.363 -6.308 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.109 -23.762 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.145 -25.225 -5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.272 -22.545 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.865 -23.259 -1.524 1.00 0.00 H new