USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 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 7 THR OG1 : rot 111:sc= 0.162 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 6 MET CE :methyl -138:sc= -1.33 (180deg=-2.31) USER MOD Single : A 17 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.544) USER MOD Single : A 19 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.22) USER MOD Single : A 20 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.28) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.1) USER MOD Single : A 28 HIS : no HE2:sc= -0.0067 K(o=-0.0067,f=-0.97) USER MOD Single : A 30 SER OG : rot -160:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.024 K(o=-0.024,f=-3.7!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.445 K(o=-0.45,f=-1.1) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.278 K(o=0.28,f=-5.9!) USER MOD Single : A 64 SER OG : rot -57:sc= 0.141 USER MOD Single : A 67 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0194 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.115 -2.313 -3.681 1.00 0.00 N ATOM 19 CA ASP A 2 0.698 -3.622 -3.950 1.00 0.00 C ATOM 20 C ASP A 2 1.277 -3.680 -5.360 1.00 0.00 C ATOM 21 O ASP A 2 0.563 -3.960 -6.323 1.00 0.00 O ATOM 22 CB ASP A 2 -0.353 -4.718 -3.771 1.00 0.00 C ATOM 23 CG ASP A 2 -1.034 -4.653 -2.418 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.524 -5.280 -1.467 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.077 -3.975 -2.311 1.00 0.00 O ATOM 0 HA ASP A 2 1.507 -3.785 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.103 -4.629 -4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.119 -5.693 -3.890 1.00 0.00 H new ATOM 30 N ARG A 3 2.574 -3.412 -5.473 1.00 0.00 N ATOM 31 CA ARG A 3 3.248 -3.432 -6.766 1.00 0.00 C ATOM 32 C ARG A 3 3.257 -4.840 -7.353 1.00 0.00 C ATOM 33 O ARG A 3 3.343 -5.827 -6.622 1.00 0.00 O ATOM 34 CB ARG A 3 4.681 -2.917 -6.625 1.00 0.00 C ATOM 35 CG ARG A 3 5.505 -3.680 -5.600 1.00 0.00 C ATOM 36 CD ARG A 3 6.590 -2.804 -4.994 1.00 0.00 C ATOM 37 NE ARG A 3 7.187 -3.414 -3.809 1.00 0.00 N ATOM 38 CZ ARG A 3 8.099 -2.812 -3.053 1.00 0.00 C ATOM 39 NH1 ARG A 3 8.516 -1.591 -3.358 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.595 -3.432 -1.990 1.00 0.00 N ATOM 0 H ARG A 3 3.179 -3.179 -4.685 1.00 0.00 H new ATOM 0 HA ARG A 3 2.699 -2.778 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.176 -2.977 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.654 -1.864 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.852 -4.051 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.960 -4.550 -6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.366 -2.621 -5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.168 -1.835 -4.729 1.00 0.00 H new ATOM 0 HE ARG A 3 6.888 -4.353 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.137 -1.112 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.216 -1.131 -2.776 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.276 -4.371 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.295 -2.969 -1.410 1.00 0.00 H new ATOM 54 N ILE A 4 3.167 -4.924 -8.676 1.00 0.00 N ATOM 55 CA ILE A 4 3.166 -6.211 -9.361 1.00 0.00 C ATOM 56 C ILE A 4 4.116 -6.200 -10.554 1.00 0.00 C ATOM 57 O ILE A 4 3.843 -5.565 -11.573 1.00 0.00 O ATOM 58 CB ILE A 4 1.754 -6.588 -9.847 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.783 -6.647 -8.666 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.785 -7.921 -10.580 1.00 0.00 C ATOM 61 CD1 ILE A 4 -0.670 -6.551 -9.074 1.00 0.00 C ATOM 0 H ILE A 4 3.094 -4.116 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 4 3.504 -6.954 -8.638 1.00 0.00 H new ATOM 0 HB ILE A 4 1.408 -5.821 -10.540 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.939 -7.580 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.013 -5.835 -7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.780 -8.174 -10.917 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.449 -7.847 -11.441 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.148 -8.698 -9.907 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.301 -6.600 -8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.841 -5.606 -9.590 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.916 -7.378 -9.740 1.00 0.00 H new ATOM 73 N PHE A 5 5.233 -6.908 -10.420 1.00 0.00 N ATOM 74 CA PHE A 5 6.224 -6.981 -11.487 1.00 0.00 C ATOM 75 C PHE A 5 5.827 -8.025 -12.527 1.00 0.00 C ATOM 76 O PHE A 5 5.465 -9.151 -12.185 1.00 0.00 O ATOM 77 CB PHE A 5 7.601 -7.316 -10.911 1.00 0.00 C ATOM 78 CG PHE A 5 8.259 -6.157 -10.219 1.00 0.00 C ATOM 79 CD1 PHE A 5 7.899 -5.808 -8.928 1.00 0.00 C ATOM 80 CD2 PHE A 5 9.238 -5.415 -10.861 1.00 0.00 C ATOM 81 CE1 PHE A 5 8.503 -4.742 -8.288 1.00 0.00 C ATOM 82 CE2 PHE A 5 9.846 -4.348 -10.226 1.00 0.00 C ATOM 83 CZ PHE A 5 9.477 -4.011 -8.939 1.00 0.00 C ATOM 0 H PHE A 5 5.474 -7.439 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 5 6.269 -6.007 -11.974 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.500 -8.141 -10.205 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.248 -7.663 -11.716 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.137 -6.376 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.529 -5.673 -11.868 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.214 -4.481 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.609 -3.779 -10.736 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.950 -3.177 -8.442 1.00 0.00 H new ATOM 93 N MET A 6 5.899 -7.643 -13.798 1.00 0.00 N ATOM 94 CA MET A 6 5.548 -8.546 -14.888 1.00 0.00 C ATOM 95 C MET A 6 6.286 -8.166 -16.168 1.00 0.00 C ATOM 96 O MET A 6 6.572 -6.992 -16.406 1.00 0.00 O ATOM 97 CB MET A 6 4.038 -8.525 -15.131 1.00 0.00 C ATOM 98 CG MET A 6 3.274 -9.540 -14.296 1.00 0.00 C ATOM 99 SD MET A 6 1.501 -9.517 -14.626 1.00 0.00 S ATOM 100 CE MET A 6 1.087 -7.846 -14.133 1.00 0.00 C ATOM 0 H MET A 6 6.197 -6.715 -14.098 1.00 0.00 H new ATOM 0 HA MET A 6 5.848 -9.554 -14.602 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.657 -7.527 -14.913 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.845 -8.716 -16.187 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.664 -10.538 -14.497 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.446 -9.338 -13.239 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.151 -7.853 -13.575 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.881 -7.445 -13.504 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.977 -7.222 -15.020 1.00 0.00 H new ATOM 110 N THR A 7 6.592 -9.165 -16.989 1.00 0.00 N ATOM 111 CA THR A 7 7.297 -8.936 -18.243 1.00 0.00 C ATOM 112 C THR A 7 6.345 -8.448 -19.329 1.00 0.00 C ATOM 113 O THR A 7 5.151 -8.269 -19.086 1.00 0.00 O ATOM 114 CB THR A 7 8.004 -10.214 -18.732 1.00 0.00 C ATOM 115 OG1 THR A 7 7.057 -11.280 -18.859 1.00 0.00 O ATOM 116 CG2 THR A 7 9.110 -10.623 -17.770 1.00 0.00 C ATOM 0 H THR A 7 6.362 -10.142 -16.807 1.00 0.00 H new ATOM 0 HA THR A 7 8.045 -8.168 -18.048 1.00 0.00 H new ATOM 0 HB THR A 7 8.449 -10.006 -19.705 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.929 -11.493 -19.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.595 -11.528 -18.136 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.845 -9.821 -17.698 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.684 -10.813 -16.785 1.00 0.00 H new ATOM 124 N ARG A 8 6.879 -8.236 -20.527 1.00 0.00 N ATOM 125 CA ARG A 8 6.076 -7.769 -21.650 1.00 0.00 C ATOM 126 C ARG A 8 4.944 -8.747 -21.953 1.00 0.00 C ATOM 127 O ARG A 8 3.829 -8.342 -22.282 1.00 0.00 O ATOM 128 CB ARG A 8 6.952 -7.586 -22.890 1.00 0.00 C ATOM 129 CG ARG A 8 8.054 -6.555 -22.711 1.00 0.00 C ATOM 130 CD ARG A 8 9.128 -6.696 -23.778 1.00 0.00 C ATOM 131 NE ARG A 8 10.137 -5.644 -23.682 1.00 0.00 N ATOM 132 CZ ARG A 8 11.272 -5.649 -24.371 1.00 0.00 C ATOM 133 NH1 ARG A 8 11.542 -6.646 -25.202 1.00 0.00 N ATOM 134 NH2 ARG A 8 12.140 -4.656 -24.230 1.00 0.00 N ATOM 0 H ARG A 8 7.865 -8.380 -20.745 1.00 0.00 H new ATOM 0 HA ARG A 8 5.640 -6.808 -21.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.401 -8.544 -23.151 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.322 -7.290 -23.729 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.627 -5.553 -22.754 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.503 -6.668 -21.724 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.609 -7.669 -23.682 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.665 -6.665 -24.764 1.00 0.00 H new ATOM 0 HE ARG A 8 9.960 -4.863 -23.051 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.877 -7.411 -25.313 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.415 -6.648 -25.730 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.936 -3.887 -23.592 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.011 -4.661 -24.760 1.00 0.00 H new ATOM 148 N THR A 9 5.240 -10.039 -21.841 1.00 0.00 N ATOM 149 CA THR A 9 4.249 -11.075 -22.105 1.00 0.00 C ATOM 150 C THR A 9 3.255 -11.191 -20.955 1.00 0.00 C ATOM 151 O THR A 9 2.119 -11.622 -21.147 1.00 0.00 O ATOM 152 CB THR A 9 4.916 -12.445 -22.332 1.00 0.00 C ATOM 153 OG1 THR A 9 5.935 -12.662 -21.350 1.00 0.00 O ATOM 154 CG2 THR A 9 5.521 -12.527 -23.725 1.00 0.00 C ATOM 0 H THR A 9 6.158 -10.392 -21.569 1.00 0.00 H new ATOM 0 HA THR A 9 3.719 -10.782 -23.011 1.00 0.00 H new ATOM 0 HB THR A 9 4.152 -13.217 -22.239 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.353 -13.536 -21.500 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.986 -13.503 -23.863 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.738 -12.390 -24.471 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.273 -11.747 -23.842 1.00 0.00 H new ATOM 162 N GLU A 10 3.691 -10.802 -19.761 1.00 0.00 N ATOM 163 CA GLU A 10 2.838 -10.864 -18.580 1.00 0.00 C ATOM 164 C GLU A 10 1.999 -9.596 -18.449 1.00 0.00 C ATOM 165 O GLU A 10 0.985 -9.579 -17.751 1.00 0.00 O ATOM 166 CB GLU A 10 3.685 -11.060 -17.321 1.00 0.00 C ATOM 167 CG GLU A 10 4.382 -12.409 -17.260 1.00 0.00 C ATOM 168 CD GLU A 10 3.445 -13.531 -16.857 1.00 0.00 C ATOM 169 OE1 GLU A 10 3.121 -13.629 -15.655 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.037 -14.312 -17.742 1.00 0.00 O ATOM 0 H GLU A 10 4.629 -10.441 -19.586 1.00 0.00 H new ATOM 0 HA GLU A 10 2.166 -11.715 -18.693 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.435 -10.271 -17.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.048 -10.950 -16.444 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.815 -12.635 -18.234 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.207 -12.356 -16.549 1.00 0.00 H new ATOM 177 N ALA A 11 2.429 -8.536 -19.124 1.00 0.00 N ATOM 178 CA ALA A 11 1.718 -7.264 -19.085 1.00 0.00 C ATOM 179 C ALA A 11 0.232 -7.458 -19.367 1.00 0.00 C ATOM 180 O ALA A 11 -0.605 -6.680 -18.906 1.00 0.00 O ATOM 181 CB ALA A 11 2.324 -6.289 -20.084 1.00 0.00 C ATOM 0 H ALA A 11 3.267 -8.533 -19.705 1.00 0.00 H new ATOM 0 HA ALA A 11 1.820 -6.849 -18.082 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.783 -5.344 -20.044 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.372 -6.118 -19.836 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.252 -6.706 -21.089 1.00 0.00 H new ATOM 187 N LEU A 12 -0.090 -8.498 -20.128 1.00 0.00 N ATOM 188 CA LEU A 12 -1.477 -8.793 -20.473 1.00 0.00 C ATOM 189 C LEU A 12 -2.356 -8.808 -19.226 1.00 0.00 C ATOM 190 O LEU A 12 -3.471 -8.287 -19.236 1.00 0.00 O ATOM 191 CB LEU A 12 -1.568 -10.141 -21.191 1.00 0.00 C ATOM 192 CG LEU A 12 -1.267 -10.123 -22.690 1.00 0.00 C ATOM 193 CD1 LEU A 12 0.197 -10.444 -22.944 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.166 -11.107 -23.426 1.00 0.00 C ATOM 0 H LEU A 12 0.590 -9.151 -20.518 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.836 -8.008 -21.139 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.877 -10.834 -20.710 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.572 -10.540 -21.047 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.469 -9.122 -23.070 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.393 -10.427 -24.016 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.823 -9.702 -22.449 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.426 -11.434 -22.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.938 -11.081 -24.492 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.995 -12.113 -23.043 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.209 -10.832 -23.271 1.00 0.00 H new ATOM 206 N GLU A 13 -1.846 -9.407 -18.155 1.00 0.00 N ATOM 207 CA GLU A 13 -2.585 -9.488 -16.901 1.00 0.00 C ATOM 208 C GLU A 13 -2.854 -8.096 -16.337 1.00 0.00 C ATOM 209 O GLU A 13 -3.899 -7.849 -15.734 1.00 0.00 O ATOM 210 CB GLU A 13 -1.811 -10.323 -15.879 1.00 0.00 C ATOM 211 CG GLU A 13 -2.702 -11.156 -14.973 1.00 0.00 C ATOM 212 CD GLU A 13 -2.061 -11.444 -13.629 1.00 0.00 C ATOM 213 OE1 GLU A 13 -2.072 -10.546 -12.762 1.00 0.00 O ATOM 214 OE2 GLU A 13 -1.548 -12.568 -13.446 1.00 0.00 O ATOM 0 H GLU A 13 -0.924 -9.843 -18.131 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.541 -9.970 -17.104 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.125 -10.985 -16.408 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.203 -9.658 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.645 -10.633 -14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.938 -12.098 -15.468 1.00 0.00 H new ATOM 221 N PHE A 14 -1.903 -7.189 -16.537 1.00 0.00 N ATOM 222 CA PHE A 14 -2.035 -5.822 -16.047 1.00 0.00 C ATOM 223 C PHE A 14 -3.108 -5.067 -16.826 1.00 0.00 C ATOM 224 O PHE A 14 -4.044 -4.518 -16.243 1.00 0.00 O ATOM 225 CB PHE A 14 -0.697 -5.087 -16.157 1.00 0.00 C ATOM 226 CG PHE A 14 -0.802 -3.611 -15.901 1.00 0.00 C ATOM 227 CD1 PHE A 14 -1.549 -3.130 -14.838 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.152 -2.704 -16.724 1.00 0.00 C ATOM 229 CE1 PHE A 14 -1.647 -1.772 -14.601 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.247 -1.345 -16.491 1.00 0.00 C ATOM 231 CZ PHE A 14 -0.994 -0.878 -15.428 1.00 0.00 C ATOM 0 H PHE A 14 -1.033 -7.376 -17.035 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.333 -5.865 -14.999 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.007 -5.522 -15.447 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.285 -5.247 -17.153 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.060 -3.824 -14.187 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.435 -3.063 -17.556 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.234 -1.410 -13.770 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.263 -0.649 -17.140 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.068 0.184 -15.243 1.00 0.00 H new ATOM 241 N LEU A 15 -2.965 -5.043 -18.147 1.00 0.00 N ATOM 242 CA LEU A 15 -3.921 -4.355 -19.007 1.00 0.00 C ATOM 243 C LEU A 15 -5.296 -5.011 -18.926 1.00 0.00 C ATOM 244 O LEU A 15 -6.318 -4.366 -19.165 1.00 0.00 O ATOM 245 CB LEU A 15 -3.428 -4.357 -20.455 1.00 0.00 C ATOM 246 CG LEU A 15 -3.036 -5.719 -21.029 1.00 0.00 C ATOM 247 CD1 LEU A 15 -4.231 -6.380 -21.697 1.00 0.00 C ATOM 248 CD2 LEU A 15 -1.886 -5.571 -22.015 1.00 0.00 C ATOM 0 H LEU A 15 -2.196 -5.492 -18.645 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.008 -3.325 -18.661 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.210 -3.931 -21.084 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.566 -3.694 -20.525 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.706 -6.356 -20.209 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.933 -7.348 -22.100 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.026 -6.521 -20.964 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.592 -5.746 -22.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.620 -6.550 -22.414 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.189 -4.917 -22.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.024 -5.140 -21.506 1.00 0.00 H new ATOM 260 N LEU A 16 -5.315 -6.295 -18.587 1.00 0.00 N ATOM 261 CA LEU A 16 -6.565 -7.038 -18.472 1.00 0.00 C ATOM 262 C LEU A 16 -7.241 -6.762 -17.132 1.00 0.00 C ATOM 263 O LEU A 16 -8.450 -6.539 -17.068 1.00 0.00 O ATOM 264 CB LEU A 16 -6.306 -8.537 -18.626 1.00 0.00 C ATOM 265 CG LEU A 16 -6.145 -9.046 -20.059 1.00 0.00 C ATOM 266 CD1 LEU A 16 -5.481 -10.414 -20.069 1.00 0.00 C ATOM 267 CD2 LEU A 16 -7.494 -9.102 -20.761 1.00 0.00 C ATOM 0 H LEU A 16 -4.479 -6.844 -18.387 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.231 -6.707 -19.269 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.404 -8.789 -18.069 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.130 -9.078 -18.160 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.505 -8.350 -20.600 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.375 -10.760 -21.097 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.496 -10.344 -19.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.095 -11.120 -19.510 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.359 -9.466 -21.779 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.158 -9.775 -20.219 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.932 -8.104 -20.788 1.00 0.00 H new ATOM 279 N LYS A 17 -6.452 -6.778 -16.063 1.00 0.00 N ATOM 280 CA LYS A 17 -6.971 -6.526 -14.724 1.00 0.00 C ATOM 281 C LYS A 17 -7.312 -5.051 -14.541 1.00 0.00 C ATOM 282 O LYS A 17 -8.170 -4.698 -13.733 1.00 0.00 O ATOM 283 CB LYS A 17 -5.951 -6.960 -13.669 1.00 0.00 C ATOM 284 CG LYS A 17 -4.778 -6.006 -13.529 1.00 0.00 C ATOM 285 CD LYS A 17 -3.817 -6.460 -12.443 1.00 0.00 C ATOM 286 CE LYS A 17 -4.402 -6.246 -11.055 1.00 0.00 C ATOM 287 NZ LYS A 17 -3.917 -7.266 -10.085 1.00 0.00 N ATOM 0 H LYS A 17 -5.450 -6.963 -16.098 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.883 -7.109 -14.600 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.453 -7.049 -12.706 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.575 -7.950 -13.925 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.248 -5.937 -14.479 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.146 -5.007 -13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.583 -7.515 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.880 -5.911 -12.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.136 -5.251 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.490 -6.285 -11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.856 -6.842 -9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.579 -8.068 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.976 -7.602 -10.375 1.00 0.00 H new ATOM 301 N ALA A 18 -6.634 -4.193 -15.296 1.00 0.00 N ATOM 302 CA ALA A 18 -6.867 -2.757 -15.219 1.00 0.00 C ATOM 303 C ALA A 18 -8.330 -2.423 -15.492 1.00 0.00 C ATOM 304 O ALA A 18 -8.857 -1.434 -14.980 1.00 0.00 O ATOM 305 CB ALA A 18 -5.965 -2.022 -16.199 1.00 0.00 C ATOM 0 H ALA A 18 -5.918 -4.468 -15.969 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.629 -2.429 -14.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.150 -0.950 -16.130 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.922 -2.226 -15.957 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.176 -2.362 -17.213 1.00 0.00 H new ATOM 311 N HIS A 19 -8.981 -3.252 -16.301 1.00 0.00 N ATOM 312 CA HIS A 19 -10.384 -3.045 -16.641 1.00 0.00 C ATOM 313 C HIS A 19 -11.266 -3.155 -15.401 1.00 0.00 C ATOM 314 O HIS A 19 -12.181 -2.356 -15.207 1.00 0.00 O ATOM 315 CB HIS A 19 -10.831 -4.061 -17.692 1.00 0.00 C ATOM 316 CG HIS A 19 -12.036 -3.628 -18.470 1.00 0.00 C ATOM 317 ND1 HIS A 19 -13.296 -4.143 -18.254 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.167 -2.720 -19.466 1.00 0.00 C ATOM 319 CE1 HIS A 19 -14.151 -3.573 -19.085 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.491 -2.705 -19.831 1.00 0.00 N ATOM 0 H HIS A 19 -8.559 -4.074 -16.734 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.489 -2.040 -17.051 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.008 -4.242 -18.384 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -11.048 -5.009 -17.200 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.378 -2.120 -19.894 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -15.209 -3.781 -19.144 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.899 -2.119 -20.560 1.00 0.00 H new ATOM 328 N GLN A 20 -10.984 -4.150 -14.567 1.00 0.00 N ATOM 329 CA GLN A 20 -11.753 -4.365 -13.347 1.00 0.00 C ATOM 330 C GLN A 20 -11.790 -3.100 -12.497 1.00 0.00 C ATOM 331 O GLN A 20 -12.741 -2.868 -11.749 1.00 0.00 O ATOM 332 CB GLN A 20 -11.156 -5.519 -12.539 1.00 0.00 C ATOM 333 CG GLN A 20 -12.187 -6.297 -11.738 1.00 0.00 C ATOM 334 CD GLN A 20 -11.788 -7.744 -11.523 1.00 0.00 C ATOM 335 OE1 GLN A 20 -11.420 -8.445 -12.466 1.00 0.00 O ATOM 336 NE2 GLN A 20 -11.859 -8.200 -10.278 1.00 0.00 N ATOM 0 H GLN A 20 -10.229 -4.820 -14.713 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.774 -4.620 -13.631 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.645 -6.201 -13.218 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.402 -5.123 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.329 -5.815 -10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.146 -6.261 -12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.169 -7.584 -9.526 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.603 -9.166 -10.073 1.00 0.00 H new ATOM 345 N THR A 21 -10.748 -2.282 -12.616 1.00 0.00 N ATOM 346 CA THR A 21 -10.661 -1.040 -11.857 1.00 0.00 C ATOM 347 C THR A 21 -11.559 0.035 -12.458 1.00 0.00 C ATOM 348 O THR A 21 -12.281 0.726 -11.741 1.00 0.00 O ATOM 349 CB THR A 21 -9.214 -0.515 -11.805 1.00 0.00 C ATOM 350 OG1 THR A 21 -8.326 -1.563 -11.400 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.098 0.655 -10.840 1.00 0.00 C ATOM 0 H THR A 21 -9.953 -2.457 -13.231 1.00 0.00 H new ATOM 0 HA THR A 21 -10.995 -1.264 -10.844 1.00 0.00 H new ATOM 0 HB THR A 21 -8.939 -0.172 -12.803 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.408 -1.221 -11.371 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.067 1.009 -10.820 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.753 1.463 -11.167 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.391 0.333 -9.841 1.00 0.00 H new ATOM 359 N ALA A 22 -11.508 0.171 -13.779 1.00 0.00 N ATOM 360 CA ALA A 22 -12.319 1.162 -14.477 1.00 0.00 C ATOM 361 C ALA A 22 -13.807 0.878 -14.297 1.00 0.00 C ATOM 362 O ALA A 22 -14.567 1.745 -13.866 1.00 0.00 O ATOM 363 CB ALA A 22 -11.960 1.191 -15.955 1.00 0.00 C ATOM 0 H ALA A 22 -10.914 -0.392 -14.387 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.107 2.140 -14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.573 1.935 -16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.907 1.449 -16.069 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.142 0.210 -16.393 1.00 0.00 H new ATOM 369 N VAL A 23 -14.216 -0.342 -14.631 1.00 0.00 N ATOM 370 CA VAL A 23 -15.613 -0.740 -14.506 1.00 0.00 C ATOM 371 C VAL A 23 -16.136 -0.479 -13.098 1.00 0.00 C ATOM 372 O VAL A 23 -17.231 0.055 -12.920 1.00 0.00 O ATOM 373 CB VAL A 23 -15.804 -2.231 -14.844 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.262 -2.633 -14.680 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.317 -2.524 -16.255 1.00 0.00 C ATOM 0 H VAL A 23 -13.600 -1.071 -14.990 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.178 -0.138 -15.217 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.208 -2.823 -14.149 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.378 -3.689 -14.923 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.573 -2.462 -13.649 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.881 -2.037 -15.350 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.459 -3.582 -16.477 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.884 -1.924 -16.967 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.258 -2.276 -16.333 1.00 0.00 H new ATOM 385 N ASP A 24 -15.345 -0.857 -12.100 1.00 0.00 N ATOM 386 CA ASP A 24 -15.726 -0.663 -10.706 1.00 0.00 C ATOM 387 C ASP A 24 -15.976 0.813 -10.412 1.00 0.00 C ATOM 388 O ASP A 24 -16.740 1.158 -9.510 1.00 0.00 O ATOM 389 CB ASP A 24 -14.639 -1.203 -9.777 1.00 0.00 C ATOM 390 CG ASP A 24 -14.974 -0.999 -8.312 1.00 0.00 C ATOM 391 OD1 ASP A 24 -15.997 -1.551 -7.855 1.00 0.00 O ATOM 392 OD2 ASP A 24 -14.213 -0.288 -7.624 1.00 0.00 O ATOM 0 H ASP A 24 -14.435 -1.300 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.650 -1.213 -10.528 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.496 -2.266 -9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -13.694 -0.709 -10.003 1.00 0.00 H new ATOM 397 N LYS A 25 -15.326 1.682 -11.179 1.00 0.00 N ATOM 398 CA LYS A 25 -15.477 3.122 -11.003 1.00 0.00 C ATOM 399 C LYS A 25 -16.856 3.585 -11.461 1.00 0.00 C ATOM 400 O LYS A 25 -17.487 4.421 -10.814 1.00 0.00 O ATOM 401 CB LYS A 25 -14.391 3.868 -11.781 1.00 0.00 C ATOM 402 CG LYS A 25 -13.972 5.178 -11.136 1.00 0.00 C ATOM 403 CD LYS A 25 -12.845 5.844 -11.909 1.00 0.00 C ATOM 404 CE LYS A 25 -12.032 6.772 -11.019 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.888 7.792 -10.352 1.00 0.00 N ATOM 0 H LYS A 25 -14.689 1.414 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.373 3.346 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.517 3.224 -11.877 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.751 4.068 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.828 5.851 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.652 4.994 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.193 5.081 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.259 6.409 -12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.510 6.185 -10.263 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.270 7.272 -11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.286 8.486 -9.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.468 8.278 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.509 7.326 -9.660 1.00 0.00 H new ATOM 419 N ILE A 26 -17.318 3.036 -12.580 1.00 0.00 N ATOM 420 CA ILE A 26 -18.623 3.392 -13.122 1.00 0.00 C ATOM 421 C ILE A 26 -19.748 2.825 -12.264 1.00 0.00 C ATOM 422 O ILE A 26 -20.867 3.335 -12.272 1.00 0.00 O ATOM 423 CB ILE A 26 -18.789 2.885 -14.567 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.567 3.264 -15.407 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.059 3.451 -15.184 1.00 0.00 C ATOM 426 CD1 ILE A 26 -17.345 4.756 -15.512 1.00 0.00 C ATOM 0 H ILE A 26 -16.808 2.343 -13.128 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.680 4.480 -13.118 1.00 0.00 H new ATOM 0 HB ILE A 26 -18.871 1.798 -14.548 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.680 2.803 -14.972 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.683 2.851 -16.409 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -20.162 3.084 -16.205 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -20.921 3.136 -14.596 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -20.005 4.540 -15.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.462 4.951 -16.121 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.215 5.222 -15.975 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.197 5.173 -14.516 1.00 0.00 H new ATOM 438 N GLY A 27 -19.442 1.765 -11.521 1.00 0.00 N ATOM 439 CA GLY A 27 -20.438 1.146 -10.666 1.00 0.00 C ATOM 440 C GLY A 27 -21.526 0.445 -11.455 1.00 0.00 C ATOM 441 O GLY A 27 -22.593 0.142 -10.921 1.00 0.00 O ATOM 0 H GLY A 27 -18.522 1.324 -11.496 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.951 0.427 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.889 1.907 -10.029 1.00 0.00 H new ATOM 445 N HIS A 28 -21.256 0.187 -12.731 1.00 0.00 N ATOM 446 CA HIS A 28 -22.221 -0.482 -13.596 1.00 0.00 C ATOM 447 C HIS A 28 -21.559 -1.615 -14.374 1.00 0.00 C ATOM 448 O HIS A 28 -20.346 -1.631 -14.583 1.00 0.00 O ATOM 449 CB HIS A 28 -22.849 0.519 -14.566 1.00 0.00 C ATOM 450 CG HIS A 28 -24.184 1.031 -14.117 1.00 0.00 C ATOM 451 ND1 HIS A 28 -24.420 1.500 -12.843 1.00 0.00 N ATOM 452 CD2 HIS A 28 -25.356 1.147 -14.783 1.00 0.00 C ATOM 453 CE1 HIS A 28 -25.681 1.881 -12.743 1.00 0.00 C ATOM 454 NE2 HIS A 28 -26.271 1.677 -13.907 1.00 0.00 N ATOM 0 H HIS A 28 -20.378 0.431 -13.188 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.003 -0.906 -12.966 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.170 1.362 -14.695 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.960 0.046 -15.542 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -23.729 1.546 -12.094 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -25.538 0.874 -15.812 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -26.150 2.290 -11.860 1.00 0.00 H new ATOM 462 N PRO A 29 -22.372 -2.587 -14.813 1.00 0.00 N ATOM 463 CA PRO A 29 -21.887 -3.741 -15.575 1.00 0.00 C ATOM 464 C PRO A 29 -21.426 -3.359 -16.977 1.00 0.00 C ATOM 465 O PRO A 29 -21.954 -2.425 -17.581 1.00 0.00 O ATOM 466 CB PRO A 29 -23.110 -4.659 -15.646 1.00 0.00 C ATOM 467 CG PRO A 29 -24.278 -3.745 -15.508 1.00 0.00 C ATOM 468 CD PRO A 29 -23.829 -2.633 -14.601 1.00 0.00 C ATOM 0 HA PRO A 29 -21.017 -4.202 -15.106 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -23.142 -5.203 -16.590 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -23.093 -5.403 -14.850 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.586 -3.356 -16.479 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.136 -4.269 -15.087 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.303 -1.686 -14.861 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.077 -2.839 -13.560 1.00 0.00 H new ATOM 476 N SER A 30 -20.440 -4.086 -17.490 1.00 0.00 N ATOM 477 CA SER A 30 -19.905 -3.821 -18.821 1.00 0.00 C ATOM 478 C SER A 30 -20.060 -5.042 -19.722 1.00 0.00 C ATOM 479 O SER A 30 -19.439 -5.128 -20.782 1.00 0.00 O ATOM 480 CB SER A 30 -18.431 -3.422 -18.731 1.00 0.00 C ATOM 481 OG SER A 30 -18.290 -2.087 -18.278 1.00 0.00 O ATOM 0 H SER A 30 -19.994 -4.864 -17.004 1.00 0.00 H new ATOM 0 HA SER A 30 -20.471 -2.997 -19.256 1.00 0.00 H new ATOM 0 HB2 SER A 30 -17.909 -4.097 -18.052 1.00 0.00 H new ATOM 0 HB3 SER A 30 -17.962 -3.529 -19.709 1.00 0.00 H new ATOM 0 HG SER A 30 -17.403 -1.750 -18.523 1.00 0.00 H new ATOM 487 N HIS A 31 -20.894 -5.984 -19.294 1.00 0.00 N ATOM 488 CA HIS A 31 -21.132 -7.201 -20.062 1.00 0.00 C ATOM 489 C HIS A 31 -22.617 -7.365 -20.373 1.00 0.00 C ATOM 490 O HIS A 31 -23.426 -7.613 -19.478 1.00 0.00 O ATOM 491 CB HIS A 31 -20.621 -8.421 -19.295 1.00 0.00 C ATOM 492 CG HIS A 31 -20.940 -9.724 -19.961 1.00 0.00 C ATOM 493 ND1 HIS A 31 -22.069 -10.461 -19.671 1.00 0.00 N ATOM 494 CD2 HIS A 31 -20.272 -10.420 -20.910 1.00 0.00 C ATOM 495 CE1 HIS A 31 -22.080 -11.555 -20.412 1.00 0.00 C ATOM 496 NE2 HIS A 31 -21.000 -11.554 -21.173 1.00 0.00 N ATOM 0 H HIS A 31 -21.416 -5.928 -18.420 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.589 -7.120 -21.003 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.541 -8.338 -19.175 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.054 -8.418 -18.295 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.339 -10.136 -21.374 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -22.842 -12.320 -20.398 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -20.748 -12.278 -21.846 1.00 0.00 H new ATOM 504 N LYS A 32 -22.968 -7.225 -21.646 1.00 0.00 N ATOM 505 CA LYS A 32 -24.355 -7.358 -22.076 1.00 0.00 C ATOM 506 C LYS A 32 -24.437 -8.010 -23.453 1.00 0.00 C ATOM 507 O LYS A 32 -23.812 -7.546 -24.407 1.00 0.00 O ATOM 508 CB LYS A 32 -25.035 -5.987 -22.108 1.00 0.00 C ATOM 509 CG LYS A 32 -25.612 -5.564 -20.768 1.00 0.00 C ATOM 510 CD LYS A 32 -26.244 -4.185 -20.844 1.00 0.00 C ATOM 511 CE LYS A 32 -25.207 -3.111 -21.135 1.00 0.00 C ATOM 512 NZ LYS A 32 -25.678 -1.759 -20.727 1.00 0.00 N ATOM 0 H LYS A 32 -22.311 -7.019 -22.399 1.00 0.00 H new ATOM 0 HA LYS A 32 -24.872 -7.996 -21.359 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -24.312 -5.240 -22.435 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.834 -6.004 -22.849 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.359 -6.290 -20.447 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -24.824 -5.563 -20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -27.007 -4.176 -21.622 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -26.746 -3.962 -19.903 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -24.282 -3.347 -20.609 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.976 -3.109 -22.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.943 -1.056 -20.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -26.547 -1.522 -21.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -25.874 -1.753 -19.706 1.00 0.00 H new ATOM 526 N GLN A 33 -25.213 -9.085 -23.549 1.00 0.00 N ATOM 527 CA GLN A 33 -25.377 -9.798 -24.810 1.00 0.00 C ATOM 528 C GLN A 33 -26.051 -8.913 -25.853 1.00 0.00 C ATOM 529 O GLN A 33 -27.248 -8.636 -25.768 1.00 0.00 O ATOM 530 CB GLN A 33 -26.198 -11.072 -24.597 1.00 0.00 C ATOM 531 CG GLN A 33 -25.352 -12.294 -24.279 1.00 0.00 C ATOM 532 CD GLN A 33 -25.065 -12.436 -22.797 1.00 0.00 C ATOM 533 OE1 GLN A 33 -25.504 -11.619 -21.987 1.00 0.00 O ATOM 534 NE2 GLN A 33 -24.324 -13.476 -22.434 1.00 0.00 N ATOM 0 H GLN A 33 -25.738 -9.481 -22.769 1.00 0.00 H new ATOM 0 HA GLN A 33 -24.387 -10.069 -25.176 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -26.904 -10.907 -23.783 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -26.785 -11.270 -25.494 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -25.865 -13.188 -24.633 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -24.410 -12.230 -24.823 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -23.981 -14.129 -23.139 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -24.098 -13.622 -21.450 1.00 0.00 H new ATOM 543 N THR A 34 -25.275 -8.471 -26.837 1.00 0.00 N ATOM 544 CA THR A 34 -25.796 -7.615 -27.896 1.00 0.00 C ATOM 545 C THR A 34 -24.974 -7.757 -29.172 1.00 0.00 C ATOM 546 O THR A 34 -23.825 -8.199 -29.153 1.00 0.00 O ATOM 547 CB THR A 34 -25.809 -6.136 -27.468 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.748 -5.886 -26.539 1.00 0.00 O ATOM 549 CG2 THR A 34 -27.142 -5.767 -26.835 1.00 0.00 C ATOM 0 H THR A 34 -24.283 -8.692 -26.923 1.00 0.00 H new ATOM 0 HA THR A 34 -26.819 -7.938 -28.089 1.00 0.00 H new ATOM 0 HB THR A 34 -25.665 -5.522 -28.357 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.762 -4.943 -26.273 1.00 0.00 H new ATOM 0 HG21 THR A 34 -27.127 -4.718 -26.541 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.944 -5.931 -27.555 1.00 0.00 H new ATOM 0 HG23 THR A 34 -27.311 -6.388 -25.955 1.00 0.00 H new ATOM 557 N PRO A 35 -25.573 -7.372 -30.308 1.00 0.00 N ATOM 558 CA PRO A 35 -24.913 -7.445 -31.615 1.00 0.00 C ATOM 559 C PRO A 35 -23.784 -6.430 -31.752 1.00 0.00 C ATOM 560 O PRO A 35 -22.944 -6.538 -32.645 1.00 0.00 O ATOM 561 CB PRO A 35 -26.041 -7.127 -32.601 1.00 0.00 C ATOM 562 CG PRO A 35 -27.013 -6.316 -31.815 1.00 0.00 C ATOM 563 CD PRO A 35 -26.941 -6.836 -30.405 1.00 0.00 C ATOM 0 HA PRO A 35 -24.444 -8.415 -31.781 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.669 -6.573 -33.463 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -26.502 -8.038 -32.982 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.759 -5.257 -31.854 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -28.021 -6.417 -32.217 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -27.115 -6.045 -29.676 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.689 -7.608 -30.223 1.00 0.00 H new ATOM 571 N ALA A 36 -23.770 -5.444 -30.861 1.00 0.00 N ATOM 572 CA ALA A 36 -22.742 -4.411 -30.882 1.00 0.00 C ATOM 573 C ALA A 36 -21.390 -4.973 -30.455 1.00 0.00 C ATOM 574 O ALA A 36 -20.342 -4.442 -30.824 1.00 0.00 O ATOM 575 CB ALA A 36 -23.141 -3.251 -29.981 1.00 0.00 C ATOM 0 H ALA A 36 -24.459 -5.339 -30.116 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.648 -4.047 -31.905 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.364 -2.487 -30.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.081 -2.825 -30.331 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.264 -3.610 -28.959 1.00 0.00 H new ATOM 581 N ASP A 37 -21.421 -6.048 -29.677 1.00 0.00 N ATOM 582 CA ASP A 37 -20.197 -6.683 -29.200 1.00 0.00 C ATOM 583 C ASP A 37 -19.252 -6.981 -30.360 1.00 0.00 C ATOM 584 O ASP A 37 -18.038 -6.816 -30.243 1.00 0.00 O ATOM 585 CB ASP A 37 -20.526 -7.974 -28.450 1.00 0.00 C ATOM 586 CG ASP A 37 -19.317 -8.875 -28.289 1.00 0.00 C ATOM 587 OD1 ASP A 37 -18.383 -8.489 -27.555 1.00 0.00 O ATOM 588 OD2 ASP A 37 -19.305 -9.965 -28.897 1.00 0.00 O ATOM 0 H ASP A 37 -22.280 -6.499 -29.362 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.700 -5.992 -28.518 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.925 -7.727 -27.466 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -21.308 -8.512 -28.985 1.00 0.00 H new ATOM 593 N HIS A 38 -19.818 -7.421 -31.480 1.00 0.00 N ATOM 594 CA HIS A 38 -19.026 -7.742 -32.661 1.00 0.00 C ATOM 595 C HIS A 38 -18.170 -6.551 -33.083 1.00 0.00 C ATOM 596 O HIS A 38 -17.053 -6.718 -33.569 1.00 0.00 O ATOM 597 CB HIS A 38 -19.938 -8.163 -33.814 1.00 0.00 C ATOM 598 CG HIS A 38 -19.204 -8.431 -35.092 1.00 0.00 C ATOM 599 ND1 HIS A 38 -19.494 -7.786 -36.276 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.184 -9.278 -35.366 1.00 0.00 C ATOM 601 CE1 HIS A 38 -18.686 -8.227 -37.224 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.881 -9.132 -36.698 1.00 0.00 N ATOM 0 H HIS A 38 -20.822 -7.563 -31.594 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.364 -8.571 -32.409 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.486 -9.060 -33.524 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -20.677 -7.380 -33.986 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -17.699 -9.944 -34.668 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.684 -7.902 -38.254 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.152 -9.640 -37.199 1.00 0.00 H new ATOM 610 N ALA A 39 -18.704 -5.349 -32.893 1.00 0.00 N ATOM 611 CA ALA A 39 -17.990 -4.130 -33.252 1.00 0.00 C ATOM 612 C ALA A 39 -17.080 -3.673 -32.116 1.00 0.00 C ATOM 613 O ALA A 39 -16.087 -2.983 -32.344 1.00 0.00 O ATOM 614 CB ALA A 39 -18.974 -3.030 -33.618 1.00 0.00 C ATOM 0 H ALA A 39 -19.629 -5.193 -32.492 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.365 -4.346 -34.119 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.427 -2.126 -33.884 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.579 -3.350 -34.466 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.623 -2.824 -32.767 1.00 0.00 H new ATOM 620 N ALA A 40 -17.427 -4.060 -30.893 1.00 0.00 N ATOM 621 CA ALA A 40 -16.641 -3.691 -29.723 1.00 0.00 C ATOM 622 C ALA A 40 -15.169 -4.039 -29.918 1.00 0.00 C ATOM 623 O ALA A 40 -14.287 -3.369 -29.380 1.00 0.00 O ATOM 624 CB ALA A 40 -17.188 -4.379 -28.481 1.00 0.00 C ATOM 0 H ALA A 40 -18.248 -4.629 -30.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.718 -2.612 -29.591 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.591 -4.094 -27.615 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.223 -4.077 -28.324 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.142 -5.460 -28.614 1.00 0.00 H new ATOM 630 N ILE A 41 -14.912 -5.089 -30.690 1.00 0.00 N ATOM 631 CA ILE A 41 -13.546 -5.525 -30.955 1.00 0.00 C ATOM 632 C ILE A 41 -12.686 -4.367 -31.449 1.00 0.00 C ATOM 633 O ILE A 41 -11.478 -4.336 -31.217 1.00 0.00 O ATOM 634 CB ILE A 41 -13.510 -6.658 -31.998 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.967 -6.139 -33.363 1.00 0.00 C ATOM 636 CG2 ILE A 41 -14.382 -7.820 -31.548 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.943 -7.193 -34.448 1.00 0.00 C ATOM 0 H ILE A 41 -15.631 -5.654 -31.143 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.144 -5.897 -30.012 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.484 -7.014 -32.091 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.979 -5.745 -33.273 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.327 -5.308 -33.660 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.346 -8.613 -32.295 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.015 -8.203 -30.596 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -15.410 -7.479 -31.430 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.279 -6.755 -35.388 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.927 -7.571 -34.566 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.605 -8.014 -34.173 1.00 0.00 H new ATOM 649 N GLU A 42 -13.318 -3.416 -32.130 1.00 0.00 N ATOM 650 CA GLU A 42 -12.609 -2.255 -32.655 1.00 0.00 C ATOM 651 C GLU A 42 -11.807 -1.564 -31.556 1.00 0.00 C ATOM 652 O GLU A 42 -10.770 -0.955 -31.819 1.00 0.00 O ATOM 653 CB GLU A 42 -13.597 -1.266 -33.279 1.00 0.00 C ATOM 654 CG GLU A 42 -14.408 -0.489 -32.257 1.00 0.00 C ATOM 655 CD GLU A 42 -15.688 0.079 -32.838 1.00 0.00 C ATOM 656 OE1 GLU A 42 -16.121 -0.403 -33.905 1.00 0.00 O ATOM 657 OE2 GLU A 42 -16.258 1.006 -32.224 1.00 0.00 O ATOM 0 H GLU A 42 -14.318 -3.427 -32.331 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.917 -2.601 -33.423 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.048 -0.563 -33.905 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.278 -1.810 -33.933 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.652 -1.143 -31.420 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.801 0.325 -31.860 1.00 0.00 H new ATOM 664 N ALA A 43 -12.296 -1.662 -30.324 1.00 0.00 N ATOM 665 CA ALA A 43 -11.625 -1.048 -29.185 1.00 0.00 C ATOM 666 C ALA A 43 -10.495 -1.934 -28.671 1.00 0.00 C ATOM 667 O ALA A 43 -9.415 -1.447 -28.333 1.00 0.00 O ATOM 668 CB ALA A 43 -12.624 -0.765 -28.073 1.00 0.00 C ATOM 0 H ALA A 43 -13.154 -2.161 -30.089 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.190 -0.105 -29.516 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.109 -0.307 -27.229 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.394 -0.087 -28.440 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.086 -1.699 -27.752 1.00 0.00 H new ATOM 674 N LEU A 44 -10.750 -3.236 -28.613 1.00 0.00 N ATOM 675 CA LEU A 44 -9.755 -4.191 -28.139 1.00 0.00 C ATOM 676 C LEU A 44 -8.546 -4.224 -29.069 1.00 0.00 C ATOM 677 O LEU A 44 -7.423 -4.481 -28.635 1.00 0.00 O ATOM 678 CB LEU A 44 -10.369 -5.588 -28.032 1.00 0.00 C ATOM 679 CG LEU A 44 -11.688 -5.684 -27.265 1.00 0.00 C ATOM 680 CD1 LEU A 44 -12.353 -7.029 -27.512 1.00 0.00 C ATOM 681 CD2 LEU A 44 -11.456 -5.467 -25.777 1.00 0.00 C ATOM 0 H LEU A 44 -11.638 -3.655 -28.889 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.422 -3.871 -27.151 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.529 -5.971 -29.040 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.644 -6.246 -27.553 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.354 -4.901 -27.627 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.290 -7.079 -26.958 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.554 -7.145 -28.577 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.692 -7.829 -27.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.405 -5.539 -25.246 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.772 -6.227 -25.401 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.024 -4.479 -25.616 1.00 0.00 H new ATOM 693 N ASP A 45 -8.784 -3.962 -30.350 1.00 0.00 N ATOM 694 CA ASP A 45 -7.714 -3.958 -31.341 1.00 0.00 C ATOM 695 C ASP A 45 -6.595 -3.007 -30.929 1.00 0.00 C ATOM 696 O ASP A 45 -5.438 -3.194 -31.305 1.00 0.00 O ATOM 697 CB ASP A 45 -8.262 -3.558 -32.712 1.00 0.00 C ATOM 698 CG ASP A 45 -7.474 -4.173 -33.852 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.995 -5.315 -33.694 1.00 0.00 O ATOM 700 OD2 ASP A 45 -7.337 -3.511 -34.902 1.00 0.00 O ATOM 0 H ASP A 45 -9.708 -3.750 -30.726 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.305 -4.966 -31.402 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.305 -3.866 -32.787 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.243 -2.472 -32.805 1.00 0.00 H new ATOM 705 N ARG A 46 -6.949 -1.985 -30.156 1.00 0.00 N ATOM 706 CA ARG A 46 -5.974 -1.003 -29.696 1.00 0.00 C ATOM 707 C ARG A 46 -5.024 -1.618 -28.673 1.00 0.00 C ATOM 708 O ARG A 46 -3.814 -1.684 -28.894 1.00 0.00 O ATOM 709 CB ARG A 46 -6.686 0.205 -29.085 1.00 0.00 C ATOM 710 CG ARG A 46 -5.786 1.416 -28.905 1.00 0.00 C ATOM 711 CD ARG A 46 -5.616 2.183 -30.207 1.00 0.00 C ATOM 712 NE ARG A 46 -6.885 2.710 -30.702 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.988 3.502 -31.763 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.903 3.856 -32.438 1.00 0.00 N ATOM 715 NH2 ARG A 46 -8.178 3.940 -32.152 1.00 0.00 N ATOM 0 H ARG A 46 -7.902 -1.816 -29.836 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.391 -0.676 -30.557 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.528 0.480 -29.721 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.098 -0.078 -28.116 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.208 2.075 -28.146 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.810 1.094 -28.541 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.917 3.005 -30.055 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.178 1.527 -30.959 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.739 2.456 -30.206 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.986 3.520 -32.143 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.985 4.464 -33.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.015 3.669 -31.636 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.256 4.548 -32.967 1.00 0.00 H new ATOM 729 N LEU A 47 -5.580 -2.066 -27.552 1.00 0.00 N ATOM 730 CA LEU A 47 -4.782 -2.676 -26.494 1.00 0.00 C ATOM 731 C LEU A 47 -4.092 -3.942 -26.992 1.00 0.00 C ATOM 732 O LEU A 47 -2.975 -4.256 -26.580 1.00 0.00 O ATOM 733 CB LEU A 47 -5.664 -3.004 -25.288 1.00 0.00 C ATOM 734 CG LEU A 47 -6.510 -4.273 -25.400 1.00 0.00 C ATOM 735 CD1 LEU A 47 -5.745 -5.473 -24.864 1.00 0.00 C ATOM 736 CD2 LEU A 47 -7.827 -4.104 -24.658 1.00 0.00 C ATOM 0 H LEU A 47 -6.579 -2.018 -27.353 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.016 -1.961 -26.193 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.025 -3.094 -24.410 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.332 -2.161 -25.111 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.730 -4.448 -26.453 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.363 -6.367 -24.952 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.829 -5.607 -25.439 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.495 -5.306 -23.816 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.416 -5.017 -24.749 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.628 -3.904 -23.605 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.382 -3.270 -25.088 1.00 0.00 H new ATOM 748 N LEU A 48 -4.763 -4.663 -27.883 1.00 0.00 N ATOM 749 CA LEU A 48 -4.214 -5.894 -28.441 1.00 0.00 C ATOM 750 C LEU A 48 -2.992 -5.603 -29.307 1.00 0.00 C ATOM 751 O LEU A 48 -1.898 -6.105 -29.045 1.00 0.00 O ATOM 752 CB LEU A 48 -5.276 -6.622 -29.267 1.00 0.00 C ATOM 753 CG LEU A 48 -6.438 -7.229 -28.480 1.00 0.00 C ATOM 754 CD1 LEU A 48 -7.596 -7.561 -29.408 1.00 0.00 C ATOM 755 CD2 LEU A 48 -5.982 -8.471 -27.728 1.00 0.00 C ATOM 0 H LEU A 48 -5.688 -4.417 -28.235 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.906 -6.532 -27.613 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.684 -5.922 -29.996 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.788 -7.419 -29.828 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.782 -6.494 -27.752 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.413 -7.992 -28.830 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.940 -6.651 -29.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.266 -8.278 -30.160 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.822 -8.890 -27.174 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.611 -9.210 -28.438 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.186 -8.204 -27.033 1.00 0.00 H new ATOM 767 N LEU A 49 -3.185 -4.786 -30.337 1.00 0.00 N ATOM 768 CA LEU A 49 -2.099 -4.425 -31.241 1.00 0.00 C ATOM 769 C LEU A 49 -0.976 -3.718 -30.488 1.00 0.00 C ATOM 770 O LEU A 49 0.195 -3.828 -30.852 1.00 0.00 O ATOM 771 CB LEU A 49 -2.620 -3.527 -32.363 1.00 0.00 C ATOM 772 CG LEU A 49 -1.571 -2.995 -33.340 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.383 -3.960 -34.500 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.966 -1.616 -33.849 1.00 0.00 C ATOM 0 H LEU A 49 -4.083 -4.361 -30.567 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.700 -5.342 -31.674 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.366 -4.084 -32.930 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.132 -2.677 -31.912 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.622 -2.907 -32.811 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.633 -3.564 -35.185 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.053 -4.927 -34.119 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.328 -4.082 -35.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.208 -1.253 -34.543 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.926 -1.678 -34.361 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.047 -0.927 -33.008 1.00 0.00 H new ATOM 786 N ASP A 50 -1.342 -2.994 -29.435 1.00 0.00 N ATOM 787 CA ASP A 50 -0.365 -2.271 -28.628 1.00 0.00 C ATOM 788 C ASP A 50 0.545 -3.240 -27.880 1.00 0.00 C ATOM 789 O ASP A 50 1.756 -3.266 -28.101 1.00 0.00 O ATOM 790 CB ASP A 50 -1.075 -1.349 -27.636 1.00 0.00 C ATOM 791 CG ASP A 50 -1.448 -0.014 -28.250 1.00 0.00 C ATOM 792 OD1 ASP A 50 -1.555 0.057 -29.492 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.632 0.959 -27.490 1.00 0.00 O ATOM 0 H ASP A 50 -2.307 -2.892 -29.121 1.00 0.00 H new ATOM 0 HA ASP A 50 0.249 -1.668 -29.297 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.976 -1.841 -27.268 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.429 -1.181 -26.774 1.00 0.00 H new ATOM 798 N VAL A 51 -0.045 -4.034 -26.993 1.00 0.00 N ATOM 799 CA VAL A 51 0.712 -5.005 -26.212 1.00 0.00 C ATOM 800 C VAL A 51 1.379 -6.036 -27.115 1.00 0.00 C ATOM 801 O VAL A 51 2.393 -6.633 -26.750 1.00 0.00 O ATOM 802 CB VAL A 51 -0.188 -5.734 -25.197 1.00 0.00 C ATOM 803 CG1 VAL A 51 -1.195 -6.620 -25.915 1.00 0.00 C ATOM 804 CG2 VAL A 51 0.654 -6.548 -24.226 1.00 0.00 C ATOM 0 H VAL A 51 -1.046 -4.024 -26.797 1.00 0.00 H new ATOM 0 HA VAL A 51 1.478 -4.448 -25.672 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.740 -4.987 -24.626 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.822 -7.127 -25.181 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.820 -6.008 -26.565 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.666 -7.361 -26.514 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.001 -7.056 -23.516 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.234 -7.287 -24.779 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.330 -5.885 -23.687 1.00 0.00 H new ATOM 814 N ARG A 52 0.805 -6.241 -28.296 1.00 0.00 N ATOM 815 CA ARG A 52 1.344 -7.201 -29.252 1.00 0.00 C ATOM 816 C ARG A 52 2.506 -6.596 -30.033 1.00 0.00 C ATOM 817 O ARG A 52 3.435 -7.300 -30.428 1.00 0.00 O ATOM 818 CB ARG A 52 0.250 -7.660 -30.217 1.00 0.00 C ATOM 819 CG ARG A 52 0.691 -8.776 -31.151 1.00 0.00 C ATOM 820 CD ARG A 52 -0.481 -9.336 -31.941 1.00 0.00 C ATOM 821 NE ARG A 52 -1.281 -10.267 -31.149 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.886 -11.497 -30.840 1.00 0.00 C ATOM 823 NH1 ARG A 52 0.292 -11.942 -31.254 1.00 0.00 N ATOM 824 NH2 ARG A 52 -1.670 -12.284 -30.115 1.00 0.00 N ATOM 0 H ARG A 52 -0.034 -5.755 -28.614 1.00 0.00 H new ATOM 0 HA ARG A 52 1.713 -8.063 -28.696 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.612 -7.998 -29.642 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.079 -6.808 -30.812 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.448 -8.399 -31.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.156 -9.574 -30.572 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.112 -8.516 -32.283 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.109 -9.844 -32.831 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.193 -9.955 -30.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.898 -11.339 -31.811 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.593 -12.887 -31.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.577 -11.945 -29.794 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.366 -13.228 -29.878 1.00 0.00 H new ATOM 838 N ALA A 53 2.447 -5.286 -30.253 1.00 0.00 N ATOM 839 CA ALA A 53 3.495 -4.587 -30.985 1.00 0.00 C ATOM 840 C ALA A 53 4.517 -3.976 -30.033 1.00 0.00 C ATOM 841 O ALA A 53 5.189 -3.001 -30.370 1.00 0.00 O ATOM 842 CB ALA A 53 2.889 -3.510 -31.874 1.00 0.00 C ATOM 0 H ALA A 53 1.684 -4.688 -29.934 1.00 0.00 H new ATOM 0 HA ALA A 53 4.012 -5.313 -31.612 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.683 -2.996 -32.415 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.203 -3.969 -32.586 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.346 -2.793 -31.258 1.00 0.00 H new ATOM 848 N ARG A 54 4.628 -4.554 -28.841 1.00 0.00 N ATOM 849 CA ARG A 54 5.567 -4.065 -27.839 1.00 0.00 C ATOM 850 C ARG A 54 5.387 -2.566 -27.611 1.00 0.00 C ATOM 851 O ARG A 54 6.346 -1.798 -27.688 1.00 0.00 O ATOM 852 CB ARG A 54 7.005 -4.357 -28.271 1.00 0.00 C ATOM 853 CG ARG A 54 7.347 -5.838 -28.287 1.00 0.00 C ATOM 854 CD ARG A 54 8.506 -6.131 -29.226 1.00 0.00 C ATOM 855 NE ARG A 54 9.688 -5.337 -28.902 1.00 0.00 N ATOM 856 CZ ARG A 54 10.872 -5.511 -29.479 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.030 -6.446 -30.406 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.900 -4.748 -29.131 1.00 0.00 N ATOM 0 H ARG A 54 4.079 -5.361 -28.546 1.00 0.00 H new ATOM 0 HA ARG A 54 5.364 -4.585 -26.903 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.167 -3.944 -29.267 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.690 -3.842 -27.597 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.602 -6.165 -27.279 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.473 -6.411 -28.596 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.756 -7.191 -29.174 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.202 -5.926 -30.252 1.00 0.00 H new ATOM 0 HE ARG A 54 9.600 -4.609 -28.194 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.242 -7.033 -30.677 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.940 -6.578 -30.848 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.782 -4.027 -28.420 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.808 -4.883 -29.575 1.00 0.00 H new ATOM 872 N ARG A 55 4.153 -2.159 -27.333 1.00 0.00 N ATOM 873 CA ARG A 55 3.848 -0.754 -27.096 1.00 0.00 C ATOM 874 C ARG A 55 3.315 -0.544 -25.681 1.00 0.00 C ATOM 875 O ARG A 55 2.574 0.404 -25.420 1.00 0.00 O ATOM 876 CB ARG A 55 2.825 -0.253 -28.117 1.00 0.00 C ATOM 877 CG ARG A 55 3.411 -0.013 -29.499 1.00 0.00 C ATOM 878 CD ARG A 55 4.365 1.172 -29.501 1.00 0.00 C ATOM 879 NE ARG A 55 3.756 2.366 -28.920 1.00 0.00 N ATOM 880 CZ ARG A 55 4.440 3.459 -28.603 1.00 0.00 C ATOM 881 NH1 ARG A 55 5.749 3.509 -28.810 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.815 4.505 -28.078 1.00 0.00 N ATOM 0 H ARG A 55 3.349 -2.783 -27.266 1.00 0.00 H new ATOM 0 HA ARG A 55 4.771 -0.184 -27.206 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.017 -0.980 -28.196 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.385 0.675 -27.752 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.938 -0.907 -29.832 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.605 0.166 -30.211 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.264 0.915 -28.941 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.676 1.385 -30.524 1.00 0.00 H new ATOM 0 HE ARG A 55 2.751 2.360 -28.749 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.233 2.707 -29.214 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.272 4.350 -28.566 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.808 4.470 -27.918 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.341 5.344 -27.835 1.00 0.00 H new ATOM 896 N VAL A 56 3.697 -1.435 -24.772 1.00 0.00 N ATOM 897 CA VAL A 56 3.259 -1.347 -23.384 1.00 0.00 C ATOM 898 C VAL A 56 4.390 -0.873 -22.480 1.00 0.00 C ATOM 899 O VAL A 56 5.563 -1.140 -22.743 1.00 0.00 O ATOM 900 CB VAL A 56 2.741 -2.705 -22.873 1.00 0.00 C ATOM 901 CG1 VAL A 56 1.395 -3.034 -23.499 1.00 0.00 C ATOM 902 CG2 VAL A 56 3.754 -3.803 -23.158 1.00 0.00 C ATOM 0 H VAL A 56 4.309 -2.226 -24.972 1.00 0.00 H new ATOM 0 HA VAL A 56 2.446 -0.621 -23.353 1.00 0.00 H new ATOM 0 HB VAL A 56 2.605 -2.639 -21.794 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.046 -3.997 -23.126 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.673 -2.260 -23.238 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.500 -3.081 -24.583 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.372 -4.755 -22.790 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.924 -3.871 -24.232 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.693 -3.571 -22.656 1.00 0.00 H new ATOM 912 N ASP A 57 4.031 -0.169 -21.412 1.00 0.00 N ATOM 913 CA ASP A 57 5.016 0.341 -20.466 1.00 0.00 C ATOM 914 C ASP A 57 4.495 0.248 -19.035 1.00 0.00 C ATOM 915 O ASP A 57 3.378 -0.212 -18.801 1.00 0.00 O ATOM 916 CB ASP A 57 5.371 1.791 -20.799 1.00 0.00 C ATOM 917 CG ASP A 57 4.171 2.714 -20.721 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.169 2.443 -21.415 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.234 3.707 -19.966 1.00 0.00 O ATOM 0 H ASP A 57 3.065 0.061 -21.180 1.00 0.00 H new ATOM 0 HA ASP A 57 5.913 -0.273 -20.547 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.140 2.141 -20.110 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.796 1.837 -21.802 1.00 0.00 H new ATOM 924 N GLN A 58 5.312 0.687 -18.083 1.00 0.00 N ATOM 925 CA GLN A 58 4.934 0.651 -16.676 1.00 0.00 C ATOM 926 C GLN A 58 4.332 1.983 -16.240 1.00 0.00 C ATOM 927 O GLN A 58 4.788 3.048 -16.656 1.00 0.00 O ATOM 928 CB GLN A 58 6.148 0.318 -15.807 1.00 0.00 C ATOM 929 CG GLN A 58 7.127 1.472 -15.663 1.00 0.00 C ATOM 930 CD GLN A 58 8.520 1.012 -15.280 1.00 0.00 C ATOM 931 OE1 GLN A 58 9.030 0.028 -15.817 1.00 0.00 O ATOM 932 NE2 GLN A 58 9.143 1.722 -14.347 1.00 0.00 N ATOM 0 H GLN A 58 6.240 1.072 -18.261 1.00 0.00 H new ATOM 0 HA GLN A 58 4.181 -0.127 -16.548 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.805 0.018 -14.817 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.668 -0.538 -16.237 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.176 2.021 -16.603 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.757 2.165 -14.908 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.682 2.530 -13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.082 1.459 -14.048 1.00 0.00 H new ATOM 941 N PHE A 59 3.304 1.915 -15.400 1.00 0.00 N ATOM 942 CA PHE A 59 2.638 3.116 -14.908 1.00 0.00 C ATOM 943 C PHE A 59 1.615 2.768 -13.831 1.00 0.00 C ATOM 944 O PHE A 59 1.227 1.610 -13.681 1.00 0.00 O ATOM 945 CB PHE A 59 1.952 3.853 -16.061 1.00 0.00 C ATOM 946 CG PHE A 59 0.944 3.014 -16.792 1.00 0.00 C ATOM 947 CD1 PHE A 59 -0.367 2.938 -16.349 1.00 0.00 C ATOM 948 CD2 PHE A 59 1.306 2.301 -17.924 1.00 0.00 C ATOM 949 CE1 PHE A 59 -1.296 2.167 -17.020 1.00 0.00 C ATOM 950 CE2 PHE A 59 0.380 1.528 -18.600 1.00 0.00 C ATOM 951 CZ PHE A 59 -0.923 1.462 -18.147 1.00 0.00 C ATOM 0 H PHE A 59 2.914 1.041 -15.046 1.00 0.00 H new ATOM 0 HA PHE A 59 3.394 3.767 -14.469 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.458 4.743 -15.670 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.710 4.193 -16.767 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.666 3.488 -15.469 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.324 2.350 -18.282 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.314 2.116 -16.663 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.675 0.977 -19.481 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.649 0.860 -18.673 1.00 0.00 H new ATOM 961 N GLN A 60 1.182 3.779 -13.086 1.00 0.00 N ATOM 962 CA GLN A 60 0.205 3.580 -12.022 1.00 0.00 C ATOM 963 C GLN A 60 -1.097 4.312 -12.335 1.00 0.00 C ATOM 964 O GLN A 60 -1.085 5.479 -12.728 1.00 0.00 O ATOM 965 CB GLN A 60 0.768 4.066 -10.685 1.00 0.00 C ATOM 966 CG GLN A 60 1.331 5.477 -10.739 1.00 0.00 C ATOM 967 CD GLN A 60 1.825 5.960 -9.390 1.00 0.00 C ATOM 968 OE1 GLN A 60 3.029 6.003 -9.135 1.00 0.00 O ATOM 969 NE2 GLN A 60 0.895 6.328 -8.516 1.00 0.00 N ATOM 0 H GLN A 60 1.492 4.744 -13.199 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.006 2.513 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.020 4.027 -9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.553 3.383 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.152 5.509 -11.455 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.562 6.157 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.092 6.276 -8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.168 6.662 -7.592 1.00 0.00 H new ATOM 978 N ILE A 61 -2.216 3.619 -12.157 1.00 0.00 N ATOM 979 CA ILE A 61 -3.525 4.203 -12.420 1.00 0.00 C ATOM 980 C ILE A 61 -4.049 4.951 -11.198 1.00 0.00 C ATOM 981 O ILE A 61 -4.558 6.065 -11.311 1.00 0.00 O ATOM 982 CB ILE A 61 -4.550 3.128 -12.827 1.00 0.00 C ATOM 983 CG1 ILE A 61 -3.988 2.256 -13.952 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.857 3.778 -13.257 1.00 0.00 C ATOM 985 CD1 ILE A 61 -4.909 1.129 -14.361 1.00 0.00 C ATOM 0 H ILE A 61 -2.243 2.653 -11.832 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.397 4.903 -13.245 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.749 2.492 -11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.787 2.883 -14.821 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.034 1.837 -13.633 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.571 3.005 -13.542 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.263 4.361 -12.430 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.674 4.434 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.446 0.553 -15.162 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.091 0.479 -13.505 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.855 1.541 -14.711 1.00 0.00 H new ATOM 997 N ASN A 62 -3.917 4.331 -10.030 1.00 0.00 N ATOM 998 CA ASN A 62 -4.376 4.938 -8.786 1.00 0.00 C ATOM 999 C ASN A 62 -3.529 4.469 -7.607 1.00 0.00 C ATOM 1000 O ASN A 62 -2.622 3.653 -7.767 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.847 4.597 -8.539 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.571 5.684 -7.769 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.655 5.640 -6.541 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.099 6.668 -8.488 1.00 0.00 N ATOM 0 H ASN A 62 -3.496 3.409 -9.919 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.272 6.019 -8.879 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.346 4.439 -9.495 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.912 3.660 -7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.598 7.427 -8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.005 6.664 -9.504 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.833 4.990 -6.423 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.102 4.622 -5.216 1.00 0.00 C ATOM 1013 C ALA A 63 -3.952 3.741 -4.306 1.00 0.00 C ATOM 1014 O ALA A 63 -3.425 2.965 -3.509 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.649 5.870 -4.473 1.00 0.00 C ATOM 0 H ALA A 63 -4.580 5.668 -6.274 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.223 4.050 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.105 5.581 -3.574 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.998 6.461 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.520 6.464 -4.195 1.00 0.00 H new ATOM 1021 N SER A 64 -5.269 3.867 -4.431 1.00 0.00 N ATOM 1022 CA SER A 64 -6.192 3.085 -3.616 1.00 0.00 C ATOM 1023 C SER A 64 -6.611 1.811 -4.342 1.00 0.00 C ATOM 1024 O SER A 64 -7.780 1.428 -4.322 1.00 0.00 O ATOM 1025 CB SER A 64 -7.428 3.917 -3.267 1.00 0.00 C ATOM 1026 OG SER A 64 -8.165 3.319 -2.215 1.00 0.00 O ATOM 0 H SER A 64 -5.721 4.503 -5.088 1.00 0.00 H new ATOM 0 HA SER A 64 -5.679 2.806 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.123 4.922 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.062 4.019 -4.148 1.00 0.00 H new ATOM 0 HG SER A 64 -8.418 2.407 -2.470 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.647 1.158 -4.983 1.00 0.00 N ATOM 1033 CA ALA A 65 -5.914 -0.075 -5.713 1.00 0.00 C ATOM 1034 C ALA A 65 -4.621 -0.822 -6.022 1.00 0.00 C ATOM 1035 O ALA A 65 -3.526 -0.304 -5.801 1.00 0.00 O ATOM 1036 CB ALA A 65 -6.671 0.227 -6.998 1.00 0.00 C ATOM 0 H ALA A 65 -4.674 1.463 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.530 -0.715 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.864 -0.703 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.618 0.711 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.074 0.890 -7.625 1.00 0.00 H new ATOM 1042 N ALA A 66 -4.754 -2.041 -6.532 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.596 -2.858 -6.872 1.00 0.00 C ATOM 1044 C ALA A 66 -2.626 -2.092 -7.765 1.00 0.00 C ATOM 1045 O ALA A 66 -3.043 -1.334 -8.640 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.039 -4.145 -7.552 1.00 0.00 C ATOM 0 H ALA A 66 -5.653 -2.485 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.076 -3.109 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.164 -4.745 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.686 -4.708 -6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.585 -3.905 -8.464 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.333 -2.295 -7.537 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.305 -1.621 -8.322 1.00 0.00 C ATOM 1054 C GLN A 67 0.407 -2.604 -9.246 1.00 0.00 C ATOM 1055 O GLN A 67 0.555 -3.782 -8.919 1.00 0.00 O ATOM 1056 CB GLN A 67 0.710 -0.945 -7.398 1.00 0.00 C ATOM 1057 CG GLN A 67 0.352 0.490 -7.047 1.00 0.00 C ATOM 1058 CD GLN A 67 0.926 1.492 -8.029 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.376 1.126 -9.115 1.00 0.00 O ATOM 1060 NE2 GLN A 67 0.912 2.765 -7.652 1.00 0.00 N ATOM 0 H GLN A 67 -0.972 -2.920 -6.816 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.791 -0.862 -8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.795 -1.525 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.690 -0.960 -7.875 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.733 0.594 -7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.718 0.717 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.529 3.023 -6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.284 3.485 -8.272 1.00 0.00 H new ATOM 1069 N ILE A 68 0.844 -2.113 -10.400 1.00 0.00 N ATOM 1070 CA ILE A 68 1.541 -2.948 -11.370 1.00 0.00 C ATOM 1071 C ILE A 68 2.692 -2.190 -12.023 1.00 0.00 C ATOM 1072 O ILE A 68 2.573 -1.003 -12.326 1.00 0.00 O ATOM 1073 CB ILE A 68 0.585 -3.451 -12.468 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -0.670 -4.063 -11.842 1.00 0.00 C ATOM 1075 CG2 ILE A 68 1.288 -4.466 -13.358 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -1.784 -3.063 -11.622 1.00 0.00 C ATOM 0 H ILE A 68 0.728 -1.141 -10.686 1.00 0.00 H new ATOM 0 HA ILE A 68 1.937 -3.804 -10.823 1.00 0.00 H new ATOM 0 HB ILE A 68 0.284 -2.603 -13.083 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.034 -4.864 -12.485 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.406 -4.516 -10.887 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.600 -4.812 -14.129 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.154 -4.000 -13.828 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.614 -5.314 -12.756 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.642 -3.566 -11.176 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.438 -2.274 -10.954 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.076 -2.627 -12.578 1.00 0.00 H new ATOM 1088 N ILE A 69 3.804 -2.885 -12.237 1.00 0.00 N ATOM 1089 CA ILE A 69 4.976 -2.278 -12.856 1.00 0.00 C ATOM 1090 C ILE A 69 5.635 -3.236 -13.842 1.00 0.00 C ATOM 1091 O ILE A 69 6.173 -4.272 -13.453 1.00 0.00 O ATOM 1092 CB ILE A 69 6.014 -1.852 -11.800 1.00 0.00 C ATOM 1093 CG1 ILE A 69 5.394 -0.858 -10.816 1.00 0.00 C ATOM 1094 CG2 ILE A 69 7.236 -1.246 -12.473 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.685 -1.520 -9.655 1.00 0.00 C ATOM 0 H ILE A 69 3.918 -3.868 -11.991 1.00 0.00 H new ATOM 0 HA ILE A 69 4.628 -1.393 -13.389 1.00 0.00 H new ATOM 0 HB ILE A 69 6.329 -2.736 -11.245 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.177 -0.206 -10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.686 -0.224 -11.350 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.960 -0.950 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.688 -1.982 -13.138 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.937 -0.371 -13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.270 -0.755 -8.998 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.880 -2.150 -10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.394 -2.132 -9.097 1.00 0.00 H new ATOM 1107 N VAL A 70 5.590 -2.881 -15.123 1.00 0.00 N ATOM 1108 CA VAL A 70 6.185 -3.707 -16.166 1.00 0.00 C ATOM 1109 C VAL A 70 7.700 -3.540 -16.203 1.00 0.00 C ATOM 1110 O VAL A 70 8.217 -2.431 -16.062 1.00 0.00 O ATOM 1111 CB VAL A 70 5.608 -3.364 -17.552 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.264 -4.214 -18.630 1.00 0.00 C ATOM 1113 CG2 VAL A 70 4.098 -3.548 -17.561 1.00 0.00 C ATOM 0 H VAL A 70 5.148 -2.027 -15.462 1.00 0.00 H new ATOM 0 HA VAL A 70 5.942 -4.742 -15.926 1.00 0.00 H new ATOM 0 HB VAL A 70 5.825 -2.318 -17.767 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.843 -3.957 -19.602 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.338 -4.026 -18.638 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.082 -5.269 -18.423 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.707 -3.301 -18.548 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.856 -4.584 -17.324 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.647 -2.891 -16.818 1.00 0.00 H new ATOM 1123 N THR A 71 8.409 -4.648 -16.394 1.00 0.00 N ATOM 1124 CA THR A 71 9.865 -4.625 -16.449 1.00 0.00 C ATOM 1125 C THR A 71 10.362 -4.698 -17.888 1.00 0.00 C ATOM 1126 O THR A 71 10.838 -5.740 -18.338 1.00 0.00 O ATOM 1127 CB THR A 71 10.476 -5.790 -15.647 1.00 0.00 C ATOM 1128 OG1 THR A 71 9.609 -6.928 -15.699 1.00 0.00 O ATOM 1129 CG2 THR A 71 10.706 -5.387 -14.198 1.00 0.00 C ATOM 0 H THR A 71 7.998 -5.574 -16.513 1.00 0.00 H new ATOM 0 HA THR A 71 10.183 -3.682 -16.005 1.00 0.00 H new ATOM 0 HB THR A 71 11.437 -6.045 -16.094 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.005 -7.665 -15.188 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.138 -6.225 -13.651 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.389 -4.539 -14.160 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.756 -5.108 -13.743 1.00 0.00 H new ATOM 1137 N ASP A 72 10.250 -3.585 -18.605 1.00 0.00 N ATOM 1138 CA ASP A 72 10.690 -3.523 -19.993 1.00 0.00 C ATOM 1139 C ASP A 72 12.058 -2.856 -20.100 1.00 0.00 C ATOM 1140 O ASP A 72 12.661 -2.824 -21.174 1.00 0.00 O ATOM 1141 CB ASP A 72 9.670 -2.760 -20.840 1.00 0.00 C ATOM 1142 CG ASP A 72 9.422 -1.357 -20.324 1.00 0.00 C ATOM 1143 OD1 ASP A 72 8.535 -1.190 -19.460 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.115 -0.425 -20.782 1.00 0.00 O ATOM 0 H ASP A 72 9.858 -2.714 -18.247 1.00 0.00 H new ATOM 0 HA ASP A 72 10.772 -4.543 -20.368 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.024 -2.708 -21.870 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.729 -3.310 -20.854 1.00 0.00 H new