USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 Set 1.1: A 6 MET CE :methyl -170:sc= -4.56 (180deg=-3.05) USER MOD Set 1.2: A 17 LYS NZ :NH3+ 166:sc= -1.13 (180deg=-0.493) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -0.0362 X(o=-0.036,f=-0.35) USER MOD Single : A 20 GLN : amide:sc= -0.0379 K(o=-0.038,f=-1.8!) USER MOD Single : A 21 THR OG1 : rot 44:sc= 0.161 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -2.36! K(o=-2.4!,f=-1.7) USER MOD Single : A 30 SER OG : rot -52:sc= 0.0479 USER MOD Single : A 31 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.986 USER MOD Single : A 38 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.14) USER MOD Single : A 58 GLN : amide:sc= -0.313 K(o=-0.31,f=1) USER MOD Single : A 60 GLN : amide:sc= -1.91 X(o=-1.9,f=-2.2) USER MOD Single : A 62 ASN : amide:sc= -0.416 K(o=-0.42,f=-3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.37 X(o=-1.4,f=-0.89) USER MOD Single : A 71 THR OG1 : rot -69:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.230 -1.479 -3.683 1.00 0.00 N ATOM 19 CA ASP A 2 0.026 -2.825 -4.206 1.00 0.00 C ATOM 20 C ASP A 2 0.629 -2.964 -5.600 1.00 0.00 C ATOM 21 O ASP A 2 -0.074 -3.267 -6.564 1.00 0.00 O ATOM 22 CB ASP A 2 -1.466 -3.158 -4.246 1.00 0.00 C ATOM 23 CG ASP A 2 -2.121 -3.051 -2.883 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.391 -3.087 -1.870 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.363 -2.932 -2.828 1.00 0.00 O ATOM 0 HA ASP A 2 0.529 -3.527 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.967 -2.484 -4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.599 -4.169 -4.631 1.00 0.00 H new ATOM 30 N ARG A 3 1.935 -2.738 -5.699 1.00 0.00 N ATOM 31 CA ARG A 3 2.632 -2.836 -6.976 1.00 0.00 C ATOM 32 C ARG A 3 2.611 -4.269 -7.499 1.00 0.00 C ATOM 33 O ARG A 3 2.535 -5.222 -6.723 1.00 0.00 O ATOM 34 CB ARG A 3 4.077 -2.355 -6.831 1.00 0.00 C ATOM 35 CG ARG A 3 4.859 -3.093 -5.756 1.00 0.00 C ATOM 36 CD ARG A 3 5.963 -2.224 -5.175 1.00 0.00 C ATOM 37 NE ARG A 3 6.827 -2.973 -4.266 1.00 0.00 N ATOM 38 CZ ARG A 3 7.668 -2.399 -3.412 1.00 0.00 C ATOM 39 NH1 ARG A 3 7.757 -1.078 -3.351 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.422 -3.148 -2.617 1.00 0.00 N ATOM 0 H ARG A 3 2.531 -2.486 -4.911 1.00 0.00 H new ATOM 0 HA ARG A 3 2.115 -2.199 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.588 -2.474 -7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.075 -1.290 -6.600 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.182 -3.403 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.292 -4.000 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.562 -1.809 -5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.520 -1.382 -4.643 1.00 0.00 H new ATOM 0 HE ARG A 3 6.782 -3.992 -4.288 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.179 -0.499 -3.960 1.00 0.00 H new ATOM 0 HH12 ARG A 3 8.403 -0.640 -2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.356 -4.165 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.067 -2.707 -1.962 1.00 0.00 H new ATOM 54 N ILE A 4 2.679 -4.413 -8.818 1.00 0.00 N ATOM 55 CA ILE A 4 2.669 -5.729 -9.444 1.00 0.00 C ATOM 56 C ILE A 4 3.648 -5.791 -10.611 1.00 0.00 C ATOM 57 O ILE A 4 3.413 -5.198 -11.665 1.00 0.00 O ATOM 58 CB ILE A 4 1.262 -6.102 -9.948 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.264 -6.099 -8.789 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.287 -7.462 -10.629 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.180 -6.171 -9.235 1.00 0.00 C ATOM 0 H ILE A 4 2.742 -3.634 -9.474 1.00 0.00 H new ATOM 0 HA ILE A 4 2.974 -6.444 -8.680 1.00 0.00 H new ATOM 0 HB ILE A 4 0.944 -5.358 -10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.476 -6.945 -8.135 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.409 -5.195 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.286 -7.712 -10.980 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.971 -7.432 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.622 -8.218 -9.919 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.831 -6.165 -8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.410 -5.311 -9.865 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.341 -7.089 -9.801 1.00 0.00 H new ATOM 73 N PHE A 5 4.747 -6.513 -10.418 1.00 0.00 N ATOM 74 CA PHE A 5 5.762 -6.654 -11.455 1.00 0.00 C ATOM 75 C PHE A 5 5.361 -7.723 -12.467 1.00 0.00 C ATOM 76 O PHE A 5 5.158 -8.884 -12.112 1.00 0.00 O ATOM 77 CB PHE A 5 7.114 -7.007 -10.831 1.00 0.00 C ATOM 78 CG PHE A 5 7.710 -5.892 -10.020 1.00 0.00 C ATOM 79 CD1 PHE A 5 7.141 -5.513 -8.815 1.00 0.00 C ATOM 80 CD2 PHE A 5 8.839 -5.223 -10.464 1.00 0.00 C ATOM 81 CE1 PHE A 5 7.687 -4.487 -8.067 1.00 0.00 C ATOM 82 CE2 PHE A 5 9.390 -4.197 -9.720 1.00 0.00 C ATOM 83 CZ PHE A 5 8.813 -3.828 -8.521 1.00 0.00 C ATOM 0 H PHE A 5 4.957 -7.010 -9.552 1.00 0.00 H new ATOM 0 HA PHE A 5 5.848 -5.700 -11.976 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.994 -7.884 -10.195 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.810 -7.281 -11.623 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.261 -6.025 -8.456 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.293 -5.506 -11.402 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.234 -4.201 -7.129 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.271 -3.684 -10.076 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.241 -3.025 -7.939 1.00 0.00 H new ATOM 93 N MET A 6 5.249 -7.322 -13.729 1.00 0.00 N ATOM 94 CA MET A 6 4.873 -8.245 -14.794 1.00 0.00 C ATOM 95 C MET A 6 5.771 -8.063 -16.013 1.00 0.00 C ATOM 96 O MET A 6 6.193 -6.950 -16.326 1.00 0.00 O ATOM 97 CB MET A 6 3.410 -8.035 -15.187 1.00 0.00 C ATOM 98 CG MET A 6 2.438 -8.894 -14.395 1.00 0.00 C ATOM 99 SD MET A 6 0.715 -8.459 -14.703 1.00 0.00 S ATOM 100 CE MET A 6 -0.107 -9.399 -13.419 1.00 0.00 C ATOM 0 H MET A 6 5.413 -6.364 -14.039 1.00 0.00 H new ATOM 0 HA MET A 6 4.999 -9.262 -14.421 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.152 -6.985 -15.047 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.293 -8.253 -16.249 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.595 -9.942 -14.650 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.650 -8.789 -13.331 1.00 0.00 H new ATOM 0 HE1 MET A 6 -1.184 -9.378 -13.585 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.243 -10.431 -13.442 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.119 -8.961 -12.447 1.00 0.00 H new ATOM 110 N THR A 7 6.060 -9.165 -16.699 1.00 0.00 N ATOM 111 CA THR A 7 6.908 -9.127 -17.884 1.00 0.00 C ATOM 112 C THR A 7 6.091 -8.836 -19.137 1.00 0.00 C ATOM 113 O THR A 7 4.878 -8.639 -19.066 1.00 0.00 O ATOM 114 CB THR A 7 7.665 -10.455 -18.075 1.00 0.00 C ATOM 115 OG1 THR A 7 6.749 -11.492 -18.442 1.00 0.00 O ATOM 116 CG2 THR A 7 8.400 -10.848 -16.802 1.00 0.00 C ATOM 0 H THR A 7 5.719 -10.095 -16.454 1.00 0.00 H new ATOM 0 HA THR A 7 7.629 -8.324 -17.731 1.00 0.00 H new ATOM 0 HB THR A 7 8.397 -10.319 -18.871 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.238 -12.333 -18.563 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.927 -11.789 -16.962 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.118 -10.070 -16.541 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.683 -10.967 -15.990 1.00 0.00 H new ATOM 124 N ARG A 8 6.763 -8.810 -20.283 1.00 0.00 N ATOM 125 CA ARG A 8 6.098 -8.542 -21.553 1.00 0.00 C ATOM 126 C ARG A 8 4.894 -9.460 -21.740 1.00 0.00 C ATOM 127 O ARG A 8 3.820 -9.019 -22.151 1.00 0.00 O ATOM 128 CB ARG A 8 7.077 -8.723 -22.714 1.00 0.00 C ATOM 129 CG ARG A 8 8.181 -7.679 -22.748 1.00 0.00 C ATOM 130 CD ARG A 8 9.062 -7.840 -23.978 1.00 0.00 C ATOM 131 NE ARG A 8 10.113 -8.833 -23.773 1.00 0.00 N ATOM 132 CZ ARG A 8 11.144 -8.992 -24.595 1.00 0.00 C ATOM 133 NH1 ARG A 8 11.261 -8.228 -25.672 1.00 0.00 N ATOM 134 NH2 ARG A 8 12.060 -9.918 -24.340 1.00 0.00 N ATOM 0 H ARG A 8 7.767 -8.971 -20.359 1.00 0.00 H new ATOM 0 HA ARG A 8 5.748 -7.510 -21.541 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.527 -9.713 -22.648 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.525 -8.686 -23.653 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.741 -6.682 -22.742 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.791 -7.763 -21.849 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.447 -8.134 -24.828 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.514 -6.880 -24.228 1.00 0.00 H new ATOM 0 HE ARG A 8 10.052 -9.438 -22.954 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.558 -7.516 -25.871 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.054 -8.352 -26.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.972 -10.508 -23.512 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.852 -10.040 -24.972 1.00 0.00 H new ATOM 148 N THR A 9 5.080 -10.741 -21.437 1.00 0.00 N ATOM 149 CA THR A 9 4.011 -11.722 -21.574 1.00 0.00 C ATOM 150 C THR A 9 3.016 -11.614 -20.424 1.00 0.00 C ATOM 151 O THR A 9 1.804 -11.626 -20.638 1.00 0.00 O ATOM 152 CB THR A 9 4.568 -13.157 -21.623 1.00 0.00 C ATOM 153 OG1 THR A 9 5.834 -13.169 -22.293 1.00 0.00 O ATOM 154 CG2 THR A 9 3.601 -14.089 -22.337 1.00 0.00 C ATOM 0 H THR A 9 5.962 -11.123 -21.095 1.00 0.00 H new ATOM 0 HA THR A 9 3.502 -11.506 -22.513 1.00 0.00 H new ATOM 0 HB THR A 9 4.696 -13.508 -20.599 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.182 -14.085 -22.318 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.016 -15.097 -22.359 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.649 -14.100 -21.807 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.444 -13.739 -23.357 1.00 0.00 H new ATOM 162 N GLU A 10 3.536 -11.509 -19.205 1.00 0.00 N ATOM 163 CA GLU A 10 2.691 -11.400 -18.022 1.00 0.00 C ATOM 164 C GLU A 10 1.807 -10.158 -18.098 1.00 0.00 C ATOM 165 O GLU A 10 0.789 -10.064 -17.412 1.00 0.00 O ATOM 166 CB GLU A 10 3.550 -11.351 -16.757 1.00 0.00 C ATOM 167 CG GLU A 10 3.069 -12.284 -15.658 1.00 0.00 C ATOM 168 CD GLU A 10 3.019 -13.733 -16.103 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.649 -14.059 -17.131 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.351 -14.540 -15.424 1.00 0.00 O ATOM 0 H GLU A 10 4.537 -11.497 -19.011 1.00 0.00 H new ATOM 0 HA GLU A 10 2.049 -12.280 -17.983 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.577 -11.607 -17.016 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.562 -10.330 -16.376 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.730 -12.195 -14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.076 -11.974 -15.332 1.00 0.00 H new ATOM 177 N ALA A 11 2.205 -9.206 -18.936 1.00 0.00 N ATOM 178 CA ALA A 11 1.449 -7.971 -19.103 1.00 0.00 C ATOM 179 C ALA A 11 -0.023 -8.260 -19.376 1.00 0.00 C ATOM 180 O ALA A 11 -0.897 -7.465 -19.029 1.00 0.00 O ATOM 181 CB ALA A 11 2.043 -7.137 -20.228 1.00 0.00 C ATOM 0 H ALA A 11 3.046 -9.267 -19.509 1.00 0.00 H new ATOM 0 HA ALA A 11 1.514 -7.406 -18.173 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.469 -6.218 -20.342 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.078 -6.891 -19.991 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.008 -7.704 -21.158 1.00 0.00 H new ATOM 187 N LEU A 12 -0.291 -9.402 -20.000 1.00 0.00 N ATOM 188 CA LEU A 12 -1.658 -9.796 -20.320 1.00 0.00 C ATOM 189 C LEU A 12 -2.554 -9.704 -19.089 1.00 0.00 C ATOM 190 O LEU A 12 -3.696 -9.255 -19.174 1.00 0.00 O ATOM 191 CB LEU A 12 -1.682 -11.221 -20.877 1.00 0.00 C ATOM 192 CG LEU A 12 -0.787 -11.482 -22.090 1.00 0.00 C ATOM 193 CD1 LEU A 12 -0.326 -12.931 -22.110 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.520 -11.136 -23.378 1.00 0.00 C ATOM 0 H LEU A 12 0.420 -10.071 -20.294 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.040 -9.110 -21.076 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.390 -11.906 -20.081 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.709 -11.467 -21.148 1.00 0.00 H new ATOM 0 HG LEU A 12 0.093 -10.843 -22.013 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.310 -13.099 -22.980 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.237 -13.146 -21.202 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.194 -13.588 -22.163 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.868 -11.328 -24.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.417 -11.749 -23.462 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.800 -10.083 -23.365 1.00 0.00 H new ATOM 206 N GLU A 13 -2.026 -10.132 -17.946 1.00 0.00 N ATOM 207 CA GLU A 13 -2.779 -10.096 -16.698 1.00 0.00 C ATOM 208 C GLU A 13 -3.074 -8.658 -16.281 1.00 0.00 C ATOM 209 O GLU A 13 -4.115 -8.372 -15.689 1.00 0.00 O ATOM 210 CB GLU A 13 -2.004 -10.810 -15.589 1.00 0.00 C ATOM 211 CG GLU A 13 -2.045 -12.326 -15.696 1.00 0.00 C ATOM 212 CD GLU A 13 -3.376 -12.905 -15.257 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.134 -12.192 -14.566 1.00 0.00 O ATOM 214 OE2 GLU A 13 -3.659 -14.071 -15.604 1.00 0.00 O ATOM 0 H GLU A 13 -1.081 -10.507 -17.859 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.726 -10.611 -16.860 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.965 -10.480 -15.613 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.411 -10.511 -14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.848 -12.619 -16.727 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.249 -12.751 -15.085 1.00 0.00 H new ATOM 221 N PHE A 14 -2.150 -7.756 -16.594 1.00 0.00 N ATOM 222 CA PHE A 14 -2.310 -6.347 -16.252 1.00 0.00 C ATOM 223 C PHE A 14 -3.412 -5.705 -17.090 1.00 0.00 C ATOM 224 O PHE A 14 -4.304 -5.043 -16.559 1.00 0.00 O ATOM 225 CB PHE A 14 -0.992 -5.597 -16.461 1.00 0.00 C ATOM 226 CG PHE A 14 -1.128 -4.106 -16.350 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.867 -3.538 -15.325 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.515 -3.271 -17.271 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.994 -2.166 -15.222 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.637 -1.898 -17.172 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.377 -1.344 -16.146 1.00 0.00 C ATOM 0 H PHE A 14 -1.283 -7.975 -17.084 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.594 -6.284 -15.201 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.265 -5.943 -15.726 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.594 -5.845 -17.445 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.349 -4.175 -14.598 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.065 -3.698 -18.076 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.575 -1.736 -14.420 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.154 -1.259 -17.896 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.473 -0.271 -16.066 1.00 0.00 H new ATOM 241 N LEU A 15 -3.342 -5.906 -18.401 1.00 0.00 N ATOM 242 CA LEU A 15 -4.333 -5.347 -19.314 1.00 0.00 C ATOM 243 C LEU A 15 -5.673 -6.061 -19.167 1.00 0.00 C ATOM 244 O LEU A 15 -6.726 -5.497 -19.469 1.00 0.00 O ATOM 245 CB LEU A 15 -3.842 -5.453 -20.759 1.00 0.00 C ATOM 246 CG LEU A 15 -4.064 -6.800 -21.446 1.00 0.00 C ATOM 247 CD1 LEU A 15 -5.408 -6.821 -22.158 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.936 -7.092 -22.425 1.00 0.00 C ATOM 0 H LEU A 15 -2.610 -6.452 -18.856 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.472 -4.296 -19.060 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.338 -4.681 -21.348 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.775 -5.230 -20.776 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.067 -7.579 -20.683 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.549 -7.788 -22.641 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.206 -6.658 -21.434 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.434 -6.032 -22.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.111 -8.055 -22.905 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.901 -6.310 -23.183 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.987 -7.121 -21.889 1.00 0.00 H new ATOM 260 N LEU A 16 -5.627 -7.304 -18.700 1.00 0.00 N ATOM 261 CA LEU A 16 -6.838 -8.095 -18.510 1.00 0.00 C ATOM 262 C LEU A 16 -7.519 -7.740 -17.192 1.00 0.00 C ATOM 263 O LEU A 16 -8.746 -7.744 -17.094 1.00 0.00 O ATOM 264 CB LEU A 16 -6.505 -9.588 -18.539 1.00 0.00 C ATOM 265 CG LEU A 16 -7.698 -10.543 -18.483 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.438 -10.550 -19.812 1.00 0.00 C ATOM 267 CD2 LEU A 16 -7.240 -11.947 -18.118 1.00 0.00 C ATOM 0 H LEU A 16 -4.765 -7.786 -18.446 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.524 -7.866 -19.325 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.941 -9.796 -19.448 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.848 -9.810 -17.698 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.383 -10.194 -17.711 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.284 -11.235 -19.754 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.799 -9.545 -20.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.762 -10.875 -20.603 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.102 -12.613 -18.083 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.534 -12.306 -18.867 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.755 -11.929 -17.142 1.00 0.00 H new ATOM 279 N LYS A 17 -6.715 -7.432 -16.180 1.00 0.00 N ATOM 280 CA LYS A 17 -7.238 -7.070 -14.868 1.00 0.00 C ATOM 281 C LYS A 17 -7.646 -5.601 -14.831 1.00 0.00 C ATOM 282 O LYS A 17 -8.556 -5.218 -14.096 1.00 0.00 O ATOM 283 CB LYS A 17 -6.194 -7.349 -13.785 1.00 0.00 C ATOM 284 CG LYS A 17 -5.069 -6.328 -13.748 1.00 0.00 C ATOM 285 CD LYS A 17 -4.086 -6.622 -12.628 1.00 0.00 C ATOM 286 CE LYS A 17 -3.430 -7.983 -12.805 1.00 0.00 C ATOM 287 NZ LYS A 17 -2.444 -8.268 -11.726 1.00 0.00 N ATOM 0 H LYS A 17 -5.697 -7.426 -16.244 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.122 -7.679 -14.676 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.687 -7.369 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.769 -8.340 -13.948 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.544 -6.329 -14.703 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.486 -5.330 -13.614 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.319 -5.848 -12.603 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.604 -6.589 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.197 -8.758 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.931 -8.022 -13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.196 -9.278 -11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.587 -7.699 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.859 -8.026 -10.804 1.00 0.00 H new ATOM 301 N ALA A 18 -6.967 -4.783 -15.629 1.00 0.00 N ATOM 302 CA ALA A 18 -7.262 -3.357 -15.689 1.00 0.00 C ATOM 303 C ALA A 18 -8.698 -3.111 -16.139 1.00 0.00 C ATOM 304 O ALA A 18 -9.295 -2.086 -15.809 1.00 0.00 O ATOM 305 CB ALA A 18 -6.287 -2.655 -16.623 1.00 0.00 C ATOM 0 H ALA A 18 -6.209 -5.084 -16.242 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.148 -2.946 -14.686 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.519 -1.591 -16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.270 -2.793 -16.257 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.373 -3.078 -17.624 1.00 0.00 H new ATOM 311 N HIS A 19 -9.247 -4.057 -16.894 1.00 0.00 N ATOM 312 CA HIS A 19 -10.614 -3.943 -17.389 1.00 0.00 C ATOM 313 C HIS A 19 -11.620 -4.169 -16.264 1.00 0.00 C ATOM 314 O HIS A 19 -12.560 -3.394 -16.096 1.00 0.00 O ATOM 315 CB HIS A 19 -10.856 -4.948 -18.516 1.00 0.00 C ATOM 316 CG HIS A 19 -10.357 -4.484 -19.849 1.00 0.00 C ATOM 317 ND1 HIS A 19 -10.696 -3.264 -20.397 1.00 0.00 N ATOM 318 CD2 HIS A 19 -9.539 -5.083 -20.746 1.00 0.00 C ATOM 319 CE1 HIS A 19 -10.108 -3.134 -21.573 1.00 0.00 C ATOM 320 NE2 HIS A 19 -9.400 -4.224 -21.808 1.00 0.00 N ATOM 0 H HIS A 19 -8.766 -4.911 -17.176 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.751 -2.934 -17.777 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.369 -5.890 -18.263 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.925 -5.151 -18.588 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.305 -2.571 -19.962 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.081 -6.056 -20.645 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.192 -2.281 -22.230 1.00 0.00 H new ATOM 328 N GLN A 20 -11.415 -5.237 -15.499 1.00 0.00 N ATOM 329 CA GLN A 20 -12.305 -5.565 -14.392 1.00 0.00 C ATOM 330 C GLN A 20 -12.483 -4.368 -13.464 1.00 0.00 C ATOM 331 O GLN A 20 -13.584 -4.103 -12.979 1.00 0.00 O ATOM 332 CB GLN A 20 -11.758 -6.758 -13.607 1.00 0.00 C ATOM 333 CG GLN A 20 -12.701 -7.258 -12.524 1.00 0.00 C ATOM 334 CD GLN A 20 -13.774 -8.182 -13.066 1.00 0.00 C ATOM 335 OE1 GLN A 20 -13.659 -8.701 -14.177 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.825 -8.393 -12.283 1.00 0.00 N ATOM 0 H GLN A 20 -10.641 -5.889 -15.626 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.278 -5.828 -14.806 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.549 -7.573 -14.300 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.809 -6.477 -13.150 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.126 -7.783 -11.761 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.173 -6.405 -12.037 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.879 -7.942 -11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.578 -9.006 -12.595 1.00 0.00 H new ATOM 345 N THR A 21 -11.393 -3.648 -13.218 1.00 0.00 N ATOM 346 CA THR A 21 -11.428 -2.481 -12.346 1.00 0.00 C ATOM 347 C THR A 21 -11.924 -1.250 -13.096 1.00 0.00 C ATOM 348 O THR A 21 -12.507 -0.344 -12.502 1.00 0.00 O ATOM 349 CB THR A 21 -10.038 -2.181 -11.753 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.016 -2.605 -12.661 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.859 -2.883 -10.415 1.00 0.00 C ATOM 0 H THR A 21 -10.474 -3.853 -13.611 1.00 0.00 H new ATOM 0 HA THR A 21 -12.119 -2.712 -11.535 1.00 0.00 H new ATOM 0 HB THR A 21 -9.958 -1.105 -11.595 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.256 -2.337 -13.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.871 -2.657 -10.015 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.621 -2.536 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.957 -3.960 -10.553 1.00 0.00 H new ATOM 359 N ALA A 22 -11.689 -1.224 -14.404 1.00 0.00 N ATOM 360 CA ALA A 22 -12.115 -0.105 -15.234 1.00 0.00 C ATOM 361 C ALA A 22 -13.632 -0.082 -15.389 1.00 0.00 C ATOM 362 O ALA A 22 -14.252 0.981 -15.369 1.00 0.00 O ATOM 363 CB ALA A 22 -11.444 -0.175 -16.598 1.00 0.00 C ATOM 0 H ALA A 22 -11.206 -1.965 -14.911 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.813 0.818 -14.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.771 0.667 -17.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.362 -0.134 -16.474 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.718 -1.108 -17.091 1.00 0.00 H new ATOM 369 N VAL A 23 -14.224 -1.262 -15.545 1.00 0.00 N ATOM 370 CA VAL A 23 -15.669 -1.377 -15.702 1.00 0.00 C ATOM 371 C VAL A 23 -16.400 -0.847 -14.474 1.00 0.00 C ATOM 372 O VAL A 23 -17.520 -0.345 -14.574 1.00 0.00 O ATOM 373 CB VAL A 23 -16.092 -2.837 -15.948 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.597 -2.931 -16.151 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.348 -3.413 -17.143 1.00 0.00 C ATOM 0 H VAL A 23 -13.725 -2.152 -15.566 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.942 -0.776 -16.570 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.831 -3.425 -15.068 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.877 -3.970 -16.323 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.108 -2.560 -15.262 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.886 -2.330 -17.013 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.659 -4.445 -17.302 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.576 -2.824 -18.032 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.275 -3.383 -16.953 1.00 0.00 H new ATOM 385 N ASP A 24 -15.759 -0.962 -13.316 1.00 0.00 N ATOM 386 CA ASP A 24 -16.348 -0.493 -12.067 1.00 0.00 C ATOM 387 C ASP A 24 -16.466 1.028 -12.059 1.00 0.00 C ATOM 388 O ASP A 24 -17.411 1.585 -11.500 1.00 0.00 O ATOM 389 CB ASP A 24 -15.507 -0.958 -10.876 1.00 0.00 C ATOM 390 CG ASP A 24 -16.317 -1.054 -9.598 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.472 -1.526 -9.661 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.796 -0.657 -8.535 1.00 0.00 O ATOM 0 H ASP A 24 -14.832 -1.376 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.349 -0.917 -11.984 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.071 -1.932 -11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.679 -0.265 -10.727 1.00 0.00 H new ATOM 397 N LYS A 25 -15.500 1.694 -12.681 1.00 0.00 N ATOM 398 CA LYS A 25 -15.494 3.151 -12.747 1.00 0.00 C ATOM 399 C LYS A 25 -16.589 3.658 -13.680 1.00 0.00 C ATOM 400 O LYS A 25 -17.164 4.724 -13.455 1.00 0.00 O ATOM 401 CB LYS A 25 -14.130 3.655 -13.224 1.00 0.00 C ATOM 402 CG LYS A 25 -13.120 3.829 -12.103 1.00 0.00 C ATOM 403 CD LYS A 25 -12.512 2.499 -11.688 1.00 0.00 C ATOM 404 CE LYS A 25 -11.689 2.635 -10.416 1.00 0.00 C ATOM 405 NZ LYS A 25 -11.535 1.331 -9.714 1.00 0.00 N ATOM 0 H LYS A 25 -14.710 1.248 -13.147 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.687 3.536 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.729 2.955 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.263 4.609 -13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.330 4.506 -12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.605 4.292 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.305 1.768 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.881 2.119 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.705 3.034 -10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.167 3.352 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.968 1.465 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.473 0.962 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.056 0.654 -10.341 1.00 0.00 H new ATOM 419 N ILE A 26 -16.874 2.887 -14.724 1.00 0.00 N ATOM 420 CA ILE A 26 -17.903 3.258 -15.688 1.00 0.00 C ATOM 421 C ILE A 26 -19.298 2.981 -15.137 1.00 0.00 C ATOM 422 O ILE A 26 -20.277 3.591 -15.565 1.00 0.00 O ATOM 423 CB ILE A 26 -17.728 2.499 -17.017 1.00 0.00 C ATOM 424 CG1 ILE A 26 -16.323 2.727 -17.578 1.00 0.00 C ATOM 425 CG2 ILE A 26 -18.783 2.939 -18.020 1.00 0.00 C ATOM 426 CD1 ILE A 26 -15.987 1.829 -18.749 1.00 0.00 C ATOM 0 H ILE A 26 -16.407 2.002 -14.924 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.793 4.327 -15.872 1.00 0.00 H new ATOM 0 HB ILE A 26 -17.855 1.433 -16.830 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.229 3.767 -17.890 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -15.593 2.565 -16.785 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.647 2.394 -18.954 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -19.775 2.730 -17.620 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -18.685 4.008 -18.206 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.976 2.046 -19.095 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.048 0.786 -18.437 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.694 2.007 -19.559 1.00 0.00 H new ATOM 438 N GLY A 27 -19.380 2.058 -14.184 1.00 0.00 N ATOM 439 CA GLY A 27 -20.659 1.718 -13.588 1.00 0.00 C ATOM 440 C GLY A 27 -21.586 1.023 -14.565 1.00 0.00 C ATOM 441 O GLY A 27 -22.807 1.158 -14.476 1.00 0.00 O ATOM 0 H GLY A 27 -18.583 1.539 -13.814 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.494 1.072 -12.726 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.138 2.625 -13.220 1.00 0.00 H new ATOM 445 N HIS A 28 -21.007 0.279 -15.502 1.00 0.00 N ATOM 446 CA HIS A 28 -21.791 -0.438 -16.501 1.00 0.00 C ATOM 447 C HIS A 28 -22.686 -1.484 -15.842 1.00 0.00 C ATOM 448 O HIS A 28 -22.425 -1.948 -14.732 1.00 0.00 O ATOM 449 CB HIS A 28 -20.868 -1.109 -17.519 1.00 0.00 C ATOM 450 CG HIS A 28 -20.526 -0.234 -18.685 1.00 0.00 C ATOM 451 ND1 HIS A 28 -19.331 -0.321 -19.367 1.00 0.00 N ATOM 452 CD2 HIS A 28 -21.232 0.749 -19.291 1.00 0.00 C ATOM 453 CE1 HIS A 28 -19.315 0.572 -20.341 1.00 0.00 C ATOM 454 NE2 HIS A 28 -20.458 1.234 -20.317 1.00 0.00 N ATOM 0 H HIS A 28 -19.998 0.157 -15.590 1.00 0.00 H new ATOM 0 HA HIS A 28 -22.424 0.284 -17.016 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.947 -1.410 -17.019 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.344 -2.018 -17.885 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.220 1.089 -19.019 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.506 0.733 -21.038 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -20.723 1.983 -20.956 1.00 0.00 H new ATOM 462 N PRO A 29 -23.766 -1.864 -16.540 1.00 0.00 N ATOM 463 CA PRO A 29 -24.721 -2.859 -16.042 1.00 0.00 C ATOM 464 C PRO A 29 -24.128 -4.264 -16.005 1.00 0.00 C ATOM 465 O PRO A 29 -23.111 -4.536 -16.643 1.00 0.00 O ATOM 466 CB PRO A 29 -25.867 -2.788 -17.054 1.00 0.00 C ATOM 467 CG PRO A 29 -25.237 -2.283 -18.306 1.00 0.00 C ATOM 468 CD PRO A 29 -24.138 -1.353 -17.870 1.00 0.00 C ATOM 0 HA PRO A 29 -25.027 -2.653 -15.016 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.321 -3.767 -17.207 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -26.657 -2.120 -16.711 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.840 -3.105 -18.902 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.966 -1.762 -18.927 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.294 -1.377 -18.560 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.482 -0.320 -17.822 1.00 0.00 H new ATOM 476 N SER A 30 -24.771 -5.153 -15.255 1.00 0.00 N ATOM 477 CA SER A 30 -24.306 -6.529 -15.133 1.00 0.00 C ATOM 478 C SER A 30 -25.118 -7.459 -16.029 1.00 0.00 C ATOM 479 O SER A 30 -25.181 -8.667 -15.796 1.00 0.00 O ATOM 480 CB SER A 30 -24.399 -6.994 -13.679 1.00 0.00 C ATOM 481 OG SER A 30 -23.518 -8.077 -13.432 1.00 0.00 O ATOM 0 H SER A 30 -25.616 -4.945 -14.723 1.00 0.00 H new ATOM 0 HA SER A 30 -23.264 -6.564 -15.452 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.158 -6.166 -13.013 1.00 0.00 H new ATOM 0 HB3 SER A 30 -25.422 -7.295 -13.455 1.00 0.00 H new ATOM 0 HG SER A 30 -23.663 -8.776 -14.103 1.00 0.00 H new ATOM 487 N HIS A 31 -25.739 -6.887 -17.056 1.00 0.00 N ATOM 488 CA HIS A 31 -26.548 -7.664 -17.989 1.00 0.00 C ATOM 489 C HIS A 31 -25.667 -8.358 -19.024 1.00 0.00 C ATOM 490 O HIS A 31 -24.492 -8.024 -19.180 1.00 0.00 O ATOM 491 CB HIS A 31 -27.563 -6.761 -18.690 1.00 0.00 C ATOM 492 CG HIS A 31 -28.708 -7.509 -19.301 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.801 -7.936 -18.577 1.00 0.00 N ATOM 494 CD2 HIS A 31 -28.926 -7.906 -20.577 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.641 -8.563 -19.380 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.134 -8.558 -20.600 1.00 0.00 N ATOM 0 H HIS A 31 -25.698 -5.889 -17.263 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.082 -8.427 -17.422 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.953 -6.040 -17.971 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -27.054 -6.192 -19.468 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -28.271 -7.741 -21.420 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.583 -9.005 -19.089 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.569 -8.971 -21.425 1.00 0.00 H new ATOM 504 N LYS A 32 -26.242 -9.327 -19.728 1.00 0.00 N ATOM 505 CA LYS A 32 -25.511 -10.069 -20.748 1.00 0.00 C ATOM 506 C LYS A 32 -25.055 -9.144 -21.872 1.00 0.00 C ATOM 507 O LYS A 32 -25.654 -8.094 -22.104 1.00 0.00 O ATOM 508 CB LYS A 32 -26.384 -11.189 -21.318 1.00 0.00 C ATOM 509 CG LYS A 32 -25.592 -12.393 -21.799 1.00 0.00 C ATOM 510 CD LYS A 32 -25.097 -13.236 -20.636 1.00 0.00 C ATOM 511 CE LYS A 32 -24.201 -14.369 -21.112 1.00 0.00 C ATOM 512 NZ LYS A 32 -24.205 -15.516 -20.161 1.00 0.00 N ATOM 0 H LYS A 32 -27.213 -9.617 -19.611 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.629 -10.507 -20.280 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -27.091 -11.512 -20.554 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -26.970 -10.795 -22.148 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.216 -13.003 -22.452 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.742 -12.057 -22.393 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.548 -12.606 -19.936 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -25.949 -13.647 -20.094 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.535 -14.709 -22.092 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.182 -14.000 -21.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.583 -16.268 -20.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.862 -15.198 -19.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.173 -15.884 -20.065 1.00 0.00 H new ATOM 526 N GLN A 33 -23.994 -9.542 -22.567 1.00 0.00 N ATOM 527 CA GLN A 33 -23.460 -8.748 -23.667 1.00 0.00 C ATOM 528 C GLN A 33 -24.553 -8.412 -24.676 1.00 0.00 C ATOM 529 O GLN A 33 -25.662 -8.942 -24.607 1.00 0.00 O ATOM 530 CB GLN A 33 -22.322 -9.499 -24.361 1.00 0.00 C ATOM 531 CG GLN A 33 -22.661 -10.943 -24.694 1.00 0.00 C ATOM 532 CD GLN A 33 -21.579 -11.623 -25.510 1.00 0.00 C ATOM 533 OE1 GLN A 33 -21.860 -12.257 -26.528 1.00 0.00 O ATOM 534 NE2 GLN A 33 -20.334 -11.493 -25.068 1.00 0.00 N ATOM 0 H GLN A 33 -23.488 -10.409 -22.388 1.00 0.00 H new ATOM 0 HA GLN A 33 -23.072 -7.816 -23.255 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.059 -8.975 -25.280 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.441 -9.480 -23.720 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -22.816 -11.498 -23.769 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -23.600 -10.974 -25.246 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -20.147 -10.958 -24.220 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.564 -11.928 -25.577 1.00 0.00 H new ATOM 543 N THR A 34 -24.233 -7.526 -25.615 1.00 0.00 N ATOM 544 CA THR A 34 -25.187 -7.117 -26.637 1.00 0.00 C ATOM 545 C THR A 34 -24.620 -7.333 -28.036 1.00 0.00 C ATOM 546 O THR A 34 -23.409 -7.435 -28.232 1.00 0.00 O ATOM 547 CB THR A 34 -25.582 -5.637 -26.478 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.503 -4.903 -25.890 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.826 -5.499 -25.613 1.00 0.00 C ATOM 0 H THR A 34 -23.319 -7.078 -25.688 1.00 0.00 H new ATOM 0 HA THR A 34 -26.074 -7.737 -26.507 1.00 0.00 H new ATOM 0 HB THR A 34 -25.799 -5.233 -27.467 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.761 -3.963 -25.794 1.00 0.00 H new ATOM 0 HG21 THR A 34 -27.086 -4.445 -25.515 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.654 -6.035 -26.078 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.631 -5.918 -24.626 1.00 0.00 H new ATOM 557 N PRO A 35 -25.514 -7.403 -29.033 1.00 0.00 N ATOM 558 CA PRO A 35 -25.125 -7.605 -30.432 1.00 0.00 C ATOM 559 C PRO A 35 -24.419 -6.388 -31.019 1.00 0.00 C ATOM 560 O PRO A 35 -23.768 -6.478 -32.060 1.00 0.00 O ATOM 561 CB PRO A 35 -26.461 -7.842 -31.141 1.00 0.00 C ATOM 562 CG PRO A 35 -27.471 -7.157 -30.286 1.00 0.00 C ATOM 563 CD PRO A 35 -26.974 -7.289 -28.873 1.00 0.00 C ATOM 0 HA PRO A 35 -24.416 -8.426 -30.543 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -26.452 -7.430 -32.150 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -26.677 -8.906 -31.233 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -27.574 -6.109 -30.567 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -28.453 -7.616 -30.399 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -27.245 -6.423 -28.269 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.394 -8.166 -28.380 1.00 0.00 H new ATOM 571 N ALA A 36 -24.552 -5.250 -30.346 1.00 0.00 N ATOM 572 CA ALA A 36 -23.925 -4.015 -30.800 1.00 0.00 C ATOM 573 C ALA A 36 -22.571 -3.809 -30.129 1.00 0.00 C ATOM 574 O ALA A 36 -21.752 -3.016 -30.594 1.00 0.00 O ATOM 575 CB ALA A 36 -24.837 -2.829 -30.528 1.00 0.00 C ATOM 0 H ALA A 36 -25.089 -5.158 -29.484 1.00 0.00 H new ATOM 0 HA ALA A 36 -23.761 -4.093 -31.875 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -24.356 -1.914 -30.872 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -25.779 -2.965 -31.059 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -25.031 -2.757 -29.458 1.00 0.00 H new ATOM 581 N ASP A 37 -22.343 -4.526 -29.034 1.00 0.00 N ATOM 582 CA ASP A 37 -21.088 -4.421 -28.299 1.00 0.00 C ATOM 583 C ASP A 37 -19.912 -4.860 -29.167 1.00 0.00 C ATOM 584 O ASP A 37 -18.768 -4.475 -28.921 1.00 0.00 O ATOM 585 CB ASP A 37 -21.144 -5.269 -27.028 1.00 0.00 C ATOM 586 CG ASP A 37 -21.730 -4.513 -25.852 1.00 0.00 C ATOM 587 OD1 ASP A 37 -22.091 -3.330 -26.028 1.00 0.00 O ATOM 588 OD2 ASP A 37 -21.830 -5.104 -24.757 1.00 0.00 O ATOM 0 H ASP A 37 -23.011 -5.186 -28.636 1.00 0.00 H new ATOM 0 HA ASP A 37 -20.943 -3.376 -28.023 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -21.741 -6.161 -27.216 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.139 -5.606 -26.775 1.00 0.00 H new ATOM 593 N HIS A 38 -20.201 -5.667 -30.182 1.00 0.00 N ATOM 594 CA HIS A 38 -19.167 -6.159 -31.086 1.00 0.00 C ATOM 595 C HIS A 38 -18.329 -5.007 -31.631 1.00 0.00 C ATOM 596 O HIS A 38 -17.146 -5.172 -31.925 1.00 0.00 O ATOM 597 CB HIS A 38 -19.798 -6.937 -32.241 1.00 0.00 C ATOM 598 CG HIS A 38 -20.430 -6.060 -33.278 1.00 0.00 C ATOM 599 ND1 HIS A 38 -20.030 -6.046 -34.598 1.00 0.00 N ATOM 600 CD2 HIS A 38 -21.442 -5.166 -33.185 1.00 0.00 C ATOM 601 CE1 HIS A 38 -20.766 -5.180 -35.270 1.00 0.00 C ATOM 602 NE2 HIS A 38 -21.631 -4.632 -34.436 1.00 0.00 N ATOM 0 H HIS A 38 -21.142 -5.994 -30.400 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.514 -6.826 -30.523 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.033 -7.553 -32.714 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -20.552 -7.616 -31.842 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -21.998 -4.919 -32.293 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.676 -4.958 -36.323 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -22.326 -3.927 -34.681 1.00 0.00 H new ATOM 610 N ALA A 39 -18.951 -3.839 -31.762 1.00 0.00 N ATOM 611 CA ALA A 39 -18.261 -2.660 -32.270 1.00 0.00 C ATOM 612 C ALA A 39 -17.120 -2.250 -31.346 1.00 0.00 C ATOM 613 O ALA A 39 -16.070 -1.800 -31.803 1.00 0.00 O ATOM 614 CB ALA A 39 -19.242 -1.509 -32.442 1.00 0.00 C ATOM 0 H ALA A 39 -19.931 -3.685 -31.523 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.835 -2.910 -33.242 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.714 -0.634 -32.822 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -20.021 -1.797 -33.148 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.695 -1.270 -31.480 1.00 0.00 H new ATOM 620 N ALA A 40 -17.333 -2.409 -30.044 1.00 0.00 N ATOM 621 CA ALA A 40 -16.321 -2.057 -29.056 1.00 0.00 C ATOM 622 C ALA A 40 -14.993 -2.743 -29.361 1.00 0.00 C ATOM 623 O ALA A 40 -13.926 -2.227 -29.027 1.00 0.00 O ATOM 624 CB ALA A 40 -16.797 -2.425 -27.658 1.00 0.00 C ATOM 0 H ALA A 40 -18.197 -2.779 -29.649 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.163 -0.980 -29.103 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.031 -2.156 -26.930 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.717 -1.885 -27.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.985 -3.498 -27.608 1.00 0.00 H new ATOM 630 N ILE A 41 -15.066 -3.908 -29.996 1.00 0.00 N ATOM 631 CA ILE A 41 -13.870 -4.663 -30.347 1.00 0.00 C ATOM 632 C ILE A 41 -12.883 -3.799 -31.125 1.00 0.00 C ATOM 633 O ILE A 41 -11.672 -4.001 -31.047 1.00 0.00 O ATOM 634 CB ILE A 41 -14.216 -5.909 -31.183 1.00 0.00 C ATOM 635 CG1 ILE A 41 -15.180 -6.815 -30.415 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.949 -6.667 -31.553 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.622 -7.315 -29.101 1.00 0.00 C ATOM 0 H ILE A 41 -15.941 -4.349 -30.278 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.411 -4.981 -29.411 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.705 -5.587 -32.102 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.104 -6.270 -30.224 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.438 -7.670 -31.040 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.210 -7.545 -32.144 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -12.294 -6.019 -32.136 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.434 -6.981 -30.645 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.359 -7.951 -28.611 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.714 -7.888 -29.286 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.390 -6.466 -28.458 1.00 0.00 H new ATOM 649 N GLU A 42 -13.411 -2.836 -31.874 1.00 0.00 N ATOM 650 CA GLU A 42 -12.575 -1.941 -32.666 1.00 0.00 C ATOM 651 C GLU A 42 -11.608 -1.168 -31.774 1.00 0.00 C ATOM 652 O GLU A 42 -10.520 -0.787 -32.204 1.00 0.00 O ATOM 653 CB GLU A 42 -13.445 -0.964 -33.460 1.00 0.00 C ATOM 654 CG GLU A 42 -14.062 0.132 -32.607 1.00 0.00 C ATOM 655 CD GLU A 42 -15.348 0.676 -33.198 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.625 0.392 -34.382 1.00 0.00 O ATOM 657 OE2 GLU A 42 -16.078 1.387 -32.475 1.00 0.00 O ATOM 0 H GLU A 42 -14.412 -2.656 -31.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.995 -2.548 -33.361 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.841 -0.506 -34.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.242 -1.519 -33.955 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.262 -0.258 -31.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.346 0.946 -32.494 1.00 0.00 H new ATOM 664 N ALA A 43 -12.014 -0.941 -30.529 1.00 0.00 N ATOM 665 CA ALA A 43 -11.183 -0.216 -29.575 1.00 0.00 C ATOM 666 C ALA A 43 -10.077 -1.107 -29.021 1.00 0.00 C ATOM 667 O ALA A 43 -8.938 -0.670 -28.854 1.00 0.00 O ATOM 668 CB ALA A 43 -12.038 0.334 -28.443 1.00 0.00 C ATOM 0 H ALA A 43 -12.913 -1.248 -30.157 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.713 0.616 -30.099 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.405 0.873 -27.738 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.788 1.013 -28.850 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.535 -0.489 -27.929 1.00 0.00 H new ATOM 674 N LEU A 44 -10.420 -2.359 -28.736 1.00 0.00 N ATOM 675 CA LEU A 44 -9.456 -3.313 -28.199 1.00 0.00 C ATOM 676 C LEU A 44 -8.230 -3.414 -29.102 1.00 0.00 C ATOM 677 O LEU A 44 -7.133 -3.734 -28.642 1.00 0.00 O ATOM 678 CB LEU A 44 -10.103 -4.690 -28.043 1.00 0.00 C ATOM 679 CG LEU A 44 -11.213 -4.794 -26.997 1.00 0.00 C ATOM 680 CD1 LEU A 44 -12.168 -5.927 -27.342 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.621 -4.998 -25.610 1.00 0.00 C ATOM 0 H LEU A 44 -11.358 -2.737 -28.868 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.136 -2.956 -27.220 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.511 -4.989 -29.008 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.324 -5.409 -27.790 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.775 -3.860 -26.998 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.951 -5.986 -26.586 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.618 -5.740 -28.317 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.620 -6.869 -27.370 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.425 -5.070 -24.878 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.035 -5.917 -25.596 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.978 -4.154 -25.361 1.00 0.00 H new ATOM 693 N ASP A 45 -8.423 -3.139 -30.387 1.00 0.00 N ATOM 694 CA ASP A 45 -7.333 -3.196 -31.353 1.00 0.00 C ATOM 695 C ASP A 45 -6.165 -2.321 -30.907 1.00 0.00 C ATOM 696 O ASP A 45 -5.011 -2.594 -31.238 1.00 0.00 O ATOM 697 CB ASP A 45 -7.822 -2.750 -32.732 1.00 0.00 C ATOM 698 CG ASP A 45 -6.851 -3.117 -33.837 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.252 -4.211 -33.762 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.691 -2.312 -34.778 1.00 0.00 O ATOM 0 H ASP A 45 -9.325 -2.874 -30.784 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.988 -4.228 -31.414 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.790 -3.207 -32.936 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.973 -1.671 -32.729 1.00 0.00 H new ATOM 705 N ARG A 46 -6.473 -1.270 -30.155 1.00 0.00 N ATOM 706 CA ARG A 46 -5.450 -0.354 -29.666 1.00 0.00 C ATOM 707 C ARG A 46 -4.540 -1.046 -28.656 1.00 0.00 C ATOM 708 O ARG A 46 -3.334 -1.172 -28.874 1.00 0.00 O ATOM 709 CB ARG A 46 -6.098 0.875 -29.027 1.00 0.00 C ATOM 710 CG ARG A 46 -5.113 1.988 -28.710 1.00 0.00 C ATOM 711 CD ARG A 46 -5.759 3.084 -27.877 1.00 0.00 C ATOM 712 NE ARG A 46 -6.173 2.600 -26.563 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.648 3.388 -25.605 1.00 0.00 C ATOM 714 NH1 ARG A 46 -6.769 4.692 -25.814 1.00 0.00 N ATOM 715 NH2 ARG A 46 -7.004 2.873 -24.435 1.00 0.00 N ATOM 0 H ARG A 46 -7.423 -1.032 -29.871 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.846 -0.036 -30.516 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.865 1.261 -29.698 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.601 0.574 -28.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.259 1.577 -28.172 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.731 2.413 -29.638 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.056 3.908 -27.755 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.625 3.479 -28.407 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.093 1.602 -26.370 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.497 5.092 -26.712 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.134 5.295 -25.077 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.913 1.871 -24.270 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.369 3.480 -23.700 1.00 0.00 H new ATOM 729 N LEU A 47 -5.124 -1.492 -27.549 1.00 0.00 N ATOM 730 CA LEU A 47 -4.366 -2.171 -26.504 1.00 0.00 C ATOM 731 C LEU A 47 -3.748 -3.462 -27.031 1.00 0.00 C ATOM 732 O LEU A 47 -2.667 -3.867 -26.600 1.00 0.00 O ATOM 733 CB LEU A 47 -5.269 -2.476 -25.308 1.00 0.00 C ATOM 734 CG LEU A 47 -6.154 -3.717 -25.434 1.00 0.00 C ATOM 735 CD1 LEU A 47 -5.434 -4.943 -24.893 1.00 0.00 C ATOM 736 CD2 LEU A 47 -7.474 -3.507 -24.706 1.00 0.00 C ATOM 0 H LEU A 47 -6.120 -1.396 -27.352 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.561 -1.509 -26.185 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.641 -2.590 -24.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.911 -1.613 -25.134 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.367 -3.882 -26.490 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.079 -5.816 -24.991 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.516 -5.105 -25.458 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.191 -4.788 -23.842 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.091 -4.400 -24.806 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.281 -3.316 -23.650 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.997 -2.654 -25.139 1.00 0.00 H new ATOM 748 N LEU A 48 -4.438 -4.103 -27.967 1.00 0.00 N ATOM 749 CA LEU A 48 -3.956 -5.348 -28.556 1.00 0.00 C ATOM 750 C LEU A 48 -2.668 -5.117 -29.339 1.00 0.00 C ATOM 751 O LEU A 48 -1.624 -5.688 -29.020 1.00 0.00 O ATOM 752 CB LEU A 48 -5.023 -5.948 -29.473 1.00 0.00 C ATOM 753 CG LEU A 48 -6.269 -6.502 -28.781 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.441 -6.548 -29.749 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.992 -7.885 -28.210 1.00 0.00 C ATOM 0 H LEU A 48 -5.333 -3.782 -28.335 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.747 -6.047 -27.746 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.336 -5.182 -30.182 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.566 -6.751 -30.052 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.530 -5.837 -27.958 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.319 -6.945 -29.239 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.655 -5.542 -30.110 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.191 -7.190 -30.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.890 -8.263 -27.721 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.705 -8.561 -29.016 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.182 -7.823 -27.483 1.00 0.00 H new ATOM 767 N LEU A 49 -2.747 -4.275 -30.364 1.00 0.00 N ATOM 768 CA LEU A 49 -1.587 -3.966 -31.192 1.00 0.00 C ATOM 769 C LEU A 49 -0.493 -3.293 -30.368 1.00 0.00 C ATOM 770 O LEU A 49 0.694 -3.429 -30.665 1.00 0.00 O ATOM 771 CB LEU A 49 -1.993 -3.061 -32.357 1.00 0.00 C ATOM 772 CG LEU A 49 -2.871 -3.704 -33.431 1.00 0.00 C ATOM 773 CD1 LEU A 49 -3.667 -2.643 -34.175 1.00 0.00 C ATOM 774 CD2 LEU A 49 -2.021 -4.513 -34.400 1.00 0.00 C ATOM 0 H LEU A 49 -3.603 -3.794 -30.641 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.194 -4.903 -31.587 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.521 -2.197 -31.953 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.087 -2.686 -32.833 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.573 -4.380 -32.943 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.286 -3.119 -34.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.304 -2.107 -33.472 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.982 -1.942 -34.652 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.662 -4.964 -35.158 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.295 -3.858 -34.882 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.496 -5.298 -33.856 1.00 0.00 H new ATOM 786 N ASP A 50 -0.902 -2.570 -29.332 1.00 0.00 N ATOM 787 CA ASP A 50 0.043 -1.878 -28.462 1.00 0.00 C ATOM 788 C ASP A 50 0.921 -2.875 -27.712 1.00 0.00 C ATOM 789 O ASP A 50 2.147 -2.847 -27.826 1.00 0.00 O ATOM 790 CB ASP A 50 -0.703 -0.988 -27.467 1.00 0.00 C ATOM 791 CG ASP A 50 -1.026 0.377 -28.041 1.00 0.00 C ATOM 792 OD1 ASP A 50 -1.248 0.468 -29.267 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.057 1.355 -27.265 1.00 0.00 O ATOM 0 H ASP A 50 -1.881 -2.447 -29.074 1.00 0.00 H new ATOM 0 HA ASP A 50 0.683 -1.254 -29.086 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.628 -1.480 -27.166 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.099 -0.867 -26.568 1.00 0.00 H new ATOM 798 N VAL A 51 0.286 -3.756 -26.945 1.00 0.00 N ATOM 799 CA VAL A 51 1.009 -4.761 -26.177 1.00 0.00 C ATOM 800 C VAL A 51 1.650 -5.798 -27.093 1.00 0.00 C ATOM 801 O VAL A 51 2.640 -6.434 -26.730 1.00 0.00 O ATOM 802 CB VAL A 51 0.082 -5.479 -25.178 1.00 0.00 C ATOM 803 CG1 VAL A 51 -0.946 -6.323 -25.916 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.893 -6.333 -24.217 1.00 0.00 C ATOM 0 H VAL A 51 -0.728 -3.793 -26.840 1.00 0.00 H new ATOM 0 HA VAL A 51 1.789 -4.236 -25.625 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.450 -4.726 -24.597 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.592 -6.823 -25.194 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.549 -5.682 -26.560 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.435 -7.070 -26.524 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.221 -6.833 -23.519 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.454 -7.080 -24.779 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.586 -5.700 -23.664 1.00 0.00 H new ATOM 814 N ARG A 52 1.080 -5.961 -28.282 1.00 0.00 N ATOM 815 CA ARG A 52 1.596 -6.921 -29.251 1.00 0.00 C ATOM 816 C ARG A 52 2.812 -6.358 -29.980 1.00 0.00 C ATOM 817 O ARG A 52 3.692 -7.104 -30.408 1.00 0.00 O ATOM 818 CB ARG A 52 0.509 -7.291 -30.262 1.00 0.00 C ATOM 819 CG ARG A 52 0.856 -8.499 -31.115 1.00 0.00 C ATOM 820 CD ARG A 52 1.550 -8.090 -32.405 1.00 0.00 C ATOM 821 NE ARG A 52 0.600 -7.885 -33.496 1.00 0.00 N ATOM 822 CZ ARG A 52 0.958 -7.763 -34.769 1.00 0.00 C ATOM 823 NH1 ARG A 52 2.238 -7.825 -35.110 1.00 0.00 N ATOM 824 NH2 ARG A 52 0.035 -7.579 -35.705 1.00 0.00 N ATOM 0 H ARG A 52 0.261 -5.441 -28.598 1.00 0.00 H new ATOM 0 HA ARG A 52 1.901 -7.817 -28.710 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.420 -7.489 -29.727 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.326 -6.437 -30.914 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.502 -9.171 -30.550 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.053 -9.053 -31.350 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.114 -7.172 -32.238 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.269 -8.859 -32.690 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.393 -7.833 -33.267 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.950 -7.967 -34.394 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.510 -7.731 -36.088 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.951 -7.531 -35.447 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.311 -7.485 -36.682 1.00 0.00 H new ATOM 838 N ALA A 53 2.855 -5.036 -30.116 1.00 0.00 N ATOM 839 CA ALA A 53 3.964 -4.373 -30.791 1.00 0.00 C ATOM 840 C ALA A 53 5.015 -3.905 -29.790 1.00 0.00 C ATOM 841 O ALA A 53 5.770 -2.971 -30.060 1.00 0.00 O ATOM 842 CB ALA A 53 3.455 -3.199 -31.613 1.00 0.00 C ATOM 0 H ALA A 53 2.135 -4.404 -29.768 1.00 0.00 H new ATOM 0 HA ALA A 53 4.433 -5.094 -31.460 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.294 -2.713 -32.112 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.747 -3.558 -32.360 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.959 -2.484 -30.957 1.00 0.00 H new ATOM 848 N ARG A 54 5.057 -4.559 -28.634 1.00 0.00 N ATOM 849 CA ARG A 54 6.014 -4.208 -27.592 1.00 0.00 C ATOM 850 C ARG A 54 5.954 -2.716 -27.278 1.00 0.00 C ATOM 851 O ARG A 54 6.954 -2.112 -26.892 1.00 0.00 O ATOM 852 CB ARG A 54 7.431 -4.593 -28.021 1.00 0.00 C ATOM 853 CG ARG A 54 8.377 -4.832 -26.855 1.00 0.00 C ATOM 854 CD ARG A 54 9.819 -4.539 -27.239 1.00 0.00 C ATOM 855 NE ARG A 54 10.325 -5.486 -28.230 1.00 0.00 N ATOM 856 CZ ARG A 54 11.607 -5.586 -28.563 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.508 -4.802 -27.987 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.989 -6.472 -29.473 1.00 0.00 N ATOM 0 H ARG A 54 4.439 -5.335 -28.395 1.00 0.00 H new ATOM 0 HA ARG A 54 5.751 -4.762 -26.691 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.384 -5.495 -28.631 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.838 -3.803 -28.652 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.088 -4.201 -26.015 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.291 -5.866 -26.521 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.890 -3.526 -27.636 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.446 -4.577 -26.348 1.00 0.00 H new ATOM 0 HE ARG A 54 9.657 -6.104 -28.691 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.217 -4.120 -27.286 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.492 -4.881 -28.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.298 -7.077 -29.917 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.974 -6.549 -29.729 1.00 0.00 H new ATOM 872 N ARG A 55 4.774 -2.129 -27.448 1.00 0.00 N ATOM 873 CA ARG A 55 4.583 -0.707 -27.184 1.00 0.00 C ATOM 874 C ARG A 55 3.989 -0.486 -25.796 1.00 0.00 C ATOM 875 O ARG A 55 3.323 0.519 -25.547 1.00 0.00 O ATOM 876 CB ARG A 55 3.672 -0.088 -28.245 1.00 0.00 C ATOM 877 CG ARG A 55 4.322 0.029 -29.614 1.00 0.00 C ATOM 878 CD ARG A 55 3.342 0.549 -30.654 1.00 0.00 C ATOM 879 NE ARG A 55 3.934 0.596 -31.988 1.00 0.00 N ATOM 880 CZ ARG A 55 3.244 0.874 -33.089 1.00 0.00 C ATOM 881 NH1 ARG A 55 1.945 1.129 -33.014 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.854 0.899 -34.267 1.00 0.00 N ATOM 0 H ARG A 55 3.936 -2.615 -27.767 1.00 0.00 H new ATOM 0 HA ARG A 55 5.558 -0.222 -27.224 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.768 -0.691 -28.332 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.363 0.903 -27.913 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.180 0.699 -29.554 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.699 -0.946 -29.923 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.459 -0.090 -30.672 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.008 1.547 -30.370 1.00 0.00 H new ATOM 0 HE ARG A 55 4.932 0.405 -32.080 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.473 1.112 -32.110 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.417 1.342 -33.861 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.853 0.705 -34.328 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.323 1.112 -35.112 1.00 0.00 H new ATOM 896 N VAL A 56 4.235 -1.432 -24.896 1.00 0.00 N ATOM 897 CA VAL A 56 3.725 -1.341 -23.533 1.00 0.00 C ATOM 898 C VAL A 56 4.757 -0.714 -22.601 1.00 0.00 C ATOM 899 O VAL A 56 5.961 -0.905 -22.772 1.00 0.00 O ATOM 900 CB VAL A 56 3.332 -2.726 -22.986 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.561 -3.611 -22.840 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.603 -2.588 -21.658 1.00 0.00 C ATOM 0 H VAL A 56 4.784 -2.270 -25.086 1.00 0.00 H new ATOM 0 HA VAL A 56 2.838 -0.708 -23.569 1.00 0.00 H new ATOM 0 HB VAL A 56 2.655 -3.199 -23.697 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.264 -4.585 -22.452 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.036 -3.737 -23.813 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.265 -3.145 -22.150 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.333 -3.577 -21.287 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.253 -2.094 -20.936 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.700 -1.994 -21.799 1.00 0.00 H new ATOM 912 N ASP A 57 4.276 0.036 -21.615 1.00 0.00 N ATOM 913 CA ASP A 57 5.157 0.691 -20.654 1.00 0.00 C ATOM 914 C ASP A 57 4.534 0.695 -19.262 1.00 0.00 C ATOM 915 O ASP A 57 3.354 0.387 -19.099 1.00 0.00 O ATOM 916 CB ASP A 57 5.454 2.124 -21.098 1.00 0.00 C ATOM 917 CG ASP A 57 6.781 2.630 -20.569 1.00 0.00 C ATOM 918 OD1 ASP A 57 7.779 1.883 -20.656 1.00 0.00 O ATOM 919 OD2 ASP A 57 6.823 3.773 -20.068 1.00 0.00 O ATOM 0 H ASP A 57 3.282 0.205 -21.460 1.00 0.00 H new ATOM 0 HA ASP A 57 6.091 0.131 -20.613 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.459 2.170 -22.187 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.655 2.781 -20.754 1.00 0.00 H new ATOM 924 N GLN A 58 5.336 1.044 -18.261 1.00 0.00 N ATOM 925 CA GLN A 58 4.864 1.085 -16.883 1.00 0.00 C ATOM 926 C GLN A 58 4.422 2.494 -16.501 1.00 0.00 C ATOM 927 O GLN A 58 4.962 3.482 -17.000 1.00 0.00 O ATOM 928 CB GLN A 58 5.961 0.607 -15.930 1.00 0.00 C ATOM 929 CG GLN A 58 7.275 1.354 -16.091 1.00 0.00 C ATOM 930 CD GLN A 58 8.260 1.048 -14.980 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.884 -0.013 -14.962 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.405 1.980 -14.045 1.00 0.00 N ATOM 0 H GLN A 58 6.316 1.302 -18.379 1.00 0.00 H new ATOM 0 HA GLN A 58 4.005 0.419 -16.800 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.613 0.719 -14.903 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.135 -0.457 -16.094 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.722 1.092 -17.050 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.079 2.426 -16.113 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.867 2.845 -14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.054 1.831 -13.272 1.00 0.00 H new ATOM 941 N PHE A 59 3.437 2.580 -15.613 1.00 0.00 N ATOM 942 CA PHE A 59 2.922 3.869 -15.165 1.00 0.00 C ATOM 943 C PHE A 59 1.925 3.689 -14.024 1.00 0.00 C ATOM 944 O PHE A 59 1.257 2.660 -13.926 1.00 0.00 O ATOM 945 CB PHE A 59 2.255 4.607 -16.327 1.00 0.00 C ATOM 946 CG PHE A 59 2.157 6.091 -16.118 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.079 6.639 -15.441 1.00 0.00 C ATOM 948 CD2 PHE A 59 3.143 6.938 -16.598 1.00 0.00 C ATOM 949 CE1 PHE A 59 0.986 8.004 -15.246 1.00 0.00 C ATOM 950 CE2 PHE A 59 3.056 8.304 -16.405 1.00 0.00 C ATOM 951 CZ PHE A 59 1.975 8.838 -15.730 1.00 0.00 C ATOM 0 H PHE A 59 2.979 1.773 -15.189 1.00 0.00 H new ATOM 0 HA PHE A 59 3.762 4.461 -14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.817 4.413 -17.240 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.254 4.202 -16.477 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.302 5.992 -15.061 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.989 6.526 -17.129 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.141 8.418 -14.716 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.832 8.953 -16.782 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.904 9.905 -15.581 1.00 0.00 H new ATOM 961 N GLN A 60 1.832 4.697 -13.162 1.00 0.00 N ATOM 962 CA GLN A 60 0.919 4.650 -12.027 1.00 0.00 C ATOM 963 C GLN A 60 0.487 6.054 -11.617 1.00 0.00 C ATOM 964 O GLN A 60 1.318 6.952 -11.476 1.00 0.00 O ATOM 965 CB GLN A 60 1.579 3.940 -10.844 1.00 0.00 C ATOM 966 CG GLN A 60 2.816 4.652 -10.320 1.00 0.00 C ATOM 967 CD GLN A 60 2.489 5.692 -9.267 1.00 0.00 C ATOM 968 OE1 GLN A 60 2.895 6.849 -9.374 1.00 0.00 O ATOM 969 NE2 GLN A 60 1.751 5.284 -8.241 1.00 0.00 N ATOM 0 H GLN A 60 2.378 5.556 -13.229 1.00 0.00 H new ATOM 0 HA GLN A 60 0.033 4.091 -12.328 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.854 3.848 -10.036 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.852 2.928 -11.144 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.502 3.917 -9.899 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.333 5.132 -11.151 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.436 4.315 -8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.499 5.940 -7.501 1.00 0.00 H new ATOM 978 N ILE A 61 -0.815 6.235 -11.426 1.00 0.00 N ATOM 979 CA ILE A 61 -1.356 7.530 -11.031 1.00 0.00 C ATOM 980 C ILE A 61 -1.328 7.698 -9.516 1.00 0.00 C ATOM 981 O ILE A 61 -1.198 8.810 -9.007 1.00 0.00 O ATOM 982 CB ILE A 61 -2.801 7.712 -11.531 1.00 0.00 C ATOM 983 CG1 ILE A 61 -3.715 6.651 -10.914 1.00 0.00 C ATOM 984 CG2 ILE A 61 -2.850 7.643 -13.050 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.163 6.785 -11.329 1.00 0.00 C ATOM 0 H ILE A 61 -1.515 5.502 -11.538 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.724 8.290 -11.490 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.155 8.695 -11.221 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.354 5.663 -11.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.650 6.714 -9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.878 7.773 -13.387 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.227 8.433 -13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.479 6.673 -13.382 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.752 6.000 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.541 7.760 -11.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.241 6.692 -12.412 1.00 0.00 H new ATOM 997 N ASN A 62 -1.451 6.584 -8.800 1.00 0.00 N ATOM 998 CA ASN A 62 -1.439 6.608 -7.342 1.00 0.00 C ATOM 999 C ASN A 62 -1.383 5.192 -6.776 1.00 0.00 C ATOM 1000 O ASN A 62 -1.879 4.247 -7.389 1.00 0.00 O ATOM 1001 CB ASN A 62 -2.678 7.332 -6.813 1.00 0.00 C ATOM 1002 CG ASN A 62 -2.487 7.848 -5.399 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -2.266 7.073 -4.469 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -2.573 9.162 -5.233 1.00 0.00 N ATOM 0 H ASN A 62 -1.560 5.655 -9.206 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.547 7.145 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.917 8.167 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.530 6.653 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.454 9.568 -4.305 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.758 9.766 -6.034 1.00 0.00 H new ATOM 1011 N ALA A 63 -0.776 5.054 -5.601 1.00 0.00 N ATOM 1012 CA ALA A 63 -0.657 3.756 -4.951 1.00 0.00 C ATOM 1013 C ALA A 63 -1.756 3.560 -3.911 1.00 0.00 C ATOM 1014 O ALA A 63 -1.477 3.385 -2.725 1.00 0.00 O ATOM 1015 CB ALA A 63 0.713 3.611 -4.306 1.00 0.00 C ATOM 0 H ALA A 63 -0.359 5.826 -5.081 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.771 2.985 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.787 2.636 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.486 3.698 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.849 4.395 -3.561 1.00 0.00 H new ATOM 1021 N SER A 64 -3.005 3.590 -4.365 1.00 0.00 N ATOM 1022 CA SER A 64 -4.146 3.420 -3.473 1.00 0.00 C ATOM 1023 C SER A 64 -4.859 2.100 -3.747 1.00 0.00 C ATOM 1024 O SER A 64 -5.275 1.402 -2.823 1.00 0.00 O ATOM 1025 CB SER A 64 -5.125 4.585 -3.635 1.00 0.00 C ATOM 1026 OG SER A 64 -6.134 4.545 -2.641 1.00 0.00 O ATOM 0 H SER A 64 -3.252 3.730 -5.345 1.00 0.00 H new ATOM 0 HA SER A 64 -3.775 3.406 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.585 5.530 -3.572 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.582 4.545 -4.624 1.00 0.00 H new ATOM 0 HG SER A 64 -6.746 5.300 -2.765 1.00 0.00 H new ATOM 1032 N ALA A 65 -4.995 1.763 -5.026 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.655 0.526 -5.424 1.00 0.00 C ATOM 1034 C ALA A 65 -4.680 -0.417 -6.120 1.00 0.00 C ATOM 1035 O ALA A 65 -3.477 -0.159 -6.166 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.839 0.828 -6.331 1.00 0.00 C ATOM 0 H ALA A 65 -4.657 2.330 -5.804 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.018 0.031 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.323 -0.105 -6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.553 1.457 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.490 1.348 -7.223 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.205 -1.512 -6.660 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.381 -2.493 -7.354 1.00 0.00 C ATOM 1044 C ALA A 66 -3.514 -1.827 -8.417 1.00 0.00 C ATOM 1045 O ALA A 66 -4.001 -1.456 -9.485 1.00 0.00 O ATOM 1046 CB ALA A 66 -5.256 -3.568 -7.982 1.00 0.00 C ATOM 0 H ALA A 66 -6.198 -1.742 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.721 -2.959 -6.623 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.627 -4.294 -8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.829 -4.072 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.940 -3.109 -8.696 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.227 -1.678 -8.117 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.293 -1.055 -9.047 1.00 0.00 C ATOM 1054 C GLN A 67 -0.411 -2.104 -9.717 1.00 0.00 C ATOM 1055 O GLN A 67 -0.173 -3.176 -9.160 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.423 -0.029 -8.319 1.00 0.00 C ATOM 1057 CG GLN A 67 0.229 0.983 -9.247 1.00 0.00 C ATOM 1058 CD GLN A 67 -0.784 1.823 -9.999 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -1.526 2.603 -9.402 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -0.820 1.668 -11.317 1.00 0.00 N ATOM 0 H GLN A 67 -1.808 -1.980 -7.237 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.872 -0.547 -9.818 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.035 0.501 -7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.354 -0.553 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.878 1.638 -8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.863 0.459 -9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.186 1.010 -11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.481 2.207 -11.876 1.00 0.00 H new ATOM 1069 N ILE A 68 0.070 -1.787 -10.914 1.00 0.00 N ATOM 1070 CA ILE A 68 0.927 -2.702 -11.659 1.00 0.00 C ATOM 1071 C ILE A 68 2.050 -1.952 -12.365 1.00 0.00 C ATOM 1072 O ILE A 68 1.816 -0.931 -13.014 1.00 0.00 O ATOM 1073 CB ILE A 68 0.124 -3.502 -12.702 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.131 -4.100 -12.062 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.988 -4.597 -13.309 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.341 -3.195 -12.145 1.00 0.00 C ATOM 0 H ILE A 68 -0.119 -0.904 -11.389 1.00 0.00 H new ATOM 0 HA ILE A 68 1.356 -3.394 -10.934 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.184 -2.825 -13.499 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.362 -5.047 -12.549 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.925 -4.322 -11.015 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.407 -5.154 -14.044 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.855 -4.149 -13.795 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.323 -5.274 -12.523 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.193 -3.683 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.129 -2.257 -11.632 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.573 -2.993 -13.191 1.00 0.00 H new ATOM 1088 N ILE A 69 3.269 -2.464 -12.237 1.00 0.00 N ATOM 1089 CA ILE A 69 4.429 -1.844 -12.865 1.00 0.00 C ATOM 1090 C ILE A 69 5.159 -2.832 -13.768 1.00 0.00 C ATOM 1091 O ILE A 69 5.685 -3.843 -13.302 1.00 0.00 O ATOM 1092 CB ILE A 69 5.415 -1.299 -11.815 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.721 -0.273 -10.916 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.626 -0.681 -12.496 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.010 -0.890 -9.732 1.00 0.00 C ATOM 0 H ILE A 69 3.479 -3.308 -11.703 1.00 0.00 H new ATOM 0 HA ILE A 69 4.056 -1.014 -13.465 1.00 0.00 H new ATOM 0 HB ILE A 69 5.756 -2.127 -11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.461 0.440 -10.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.000 0.290 -11.510 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.313 -0.300 -11.741 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.130 -1.437 -13.098 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.303 0.138 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.541 -0.104 -9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.246 -1.582 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.730 -1.429 -9.116 1.00 0.00 H new ATOM 1107 N VAL A 70 5.190 -2.532 -15.062 1.00 0.00 N ATOM 1108 CA VAL A 70 5.859 -3.392 -16.031 1.00 0.00 C ATOM 1109 C VAL A 70 7.372 -3.222 -15.964 1.00 0.00 C ATOM 1110 O VAL A 70 7.896 -2.126 -16.168 1.00 0.00 O ATOM 1111 CB VAL A 70 5.384 -3.097 -17.466 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.100 -3.997 -18.462 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.875 -3.265 -17.572 1.00 0.00 C ATOM 0 H VAL A 70 4.759 -1.699 -15.464 1.00 0.00 H new ATOM 0 HA VAL A 70 5.600 -4.419 -15.774 1.00 0.00 H new ATOM 0 HB VAL A 70 5.630 -2.063 -17.706 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.751 -3.774 -19.470 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.174 -3.823 -18.403 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.888 -5.040 -18.227 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.556 -3.053 -18.592 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.604 -4.288 -17.312 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.383 -2.574 -16.887 1.00 0.00 H new ATOM 1123 N THR A 71 8.073 -4.315 -15.676 1.00 0.00 N ATOM 1124 CA THR A 71 9.527 -4.287 -15.581 1.00 0.00 C ATOM 1125 C THR A 71 10.167 -5.084 -16.713 1.00 0.00 C ATOM 1126 O THR A 71 10.652 -6.196 -16.504 1.00 0.00 O ATOM 1127 CB THR A 71 10.013 -4.851 -14.233 1.00 0.00 C ATOM 1128 OG1 THR A 71 11.433 -5.036 -14.262 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.331 -6.175 -13.923 1.00 0.00 C ATOM 0 H THR A 71 7.657 -5.230 -15.505 1.00 0.00 H new ATOM 0 HA THR A 71 9.829 -3.243 -15.659 1.00 0.00 H new ATOM 0 HB THR A 71 9.756 -4.136 -13.452 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.655 -5.769 -14.873 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.690 -6.554 -12.966 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.252 -6.026 -13.872 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.561 -6.895 -14.708 1.00 0.00 H new ATOM 1137 N ASP A 72 10.166 -4.508 -17.910 1.00 0.00 N ATOM 1138 CA ASP A 72 10.749 -5.164 -19.074 1.00 0.00 C ATOM 1139 C ASP A 72 12.258 -5.320 -18.912 1.00 0.00 C ATOM 1140 O ASP A 72 12.889 -6.110 -19.615 1.00 0.00 O ATOM 1141 CB ASP A 72 10.440 -4.367 -20.343 1.00 0.00 C ATOM 1142 CG ASP A 72 10.818 -2.905 -20.215 1.00 0.00 C ATOM 1143 OD1 ASP A 72 11.817 -2.609 -19.526 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.115 -2.056 -20.802 1.00 0.00 O ATOM 0 H ASP A 72 9.768 -3.588 -18.099 1.00 0.00 H new ATOM 0 HA ASP A 72 10.307 -6.156 -19.160 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.977 -4.806 -21.184 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.376 -4.446 -20.568 1.00 0.00 H new