USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 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 69 THR OG1 : rot -89:sc= -1.87! USER MOD Set 1.2: A 71 ASN : amide:sc= -3.37! C(o=-5.2!,f=-14!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 156:sc= 0.376 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.623 K(o=-0.62,f=-1.5) USER MOD Single : A 34 THR OG1 : rot 127:sc= 1.01 USER MOD Single : A 39 SER OG : rot 180:sc= -0.718 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.251 K(o=-0.25,f=-2.6!) USER MOD Single : A 50 GLN : amide:sc= 0.0132 X(o=0.013,f=0) USER MOD Single : A 51 SER OG : rot 94:sc= 0.0673 USER MOD Single : A 52 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.16) USER MOD Single : A 60 SER OG : rot 180:sc= 0.179 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0211) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -3.51! C(o=-4.5!,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.214 -14.534 6.170 1.00 0.00 N ATOM 24 CA GLU A 4 3.941 -13.364 6.632 1.00 0.00 C ATOM 25 C GLU A 4 4.692 -12.712 5.469 1.00 0.00 C ATOM 26 O GLU A 4 5.124 -11.566 5.570 1.00 0.00 O ATOM 27 CB GLU A 4 4.900 -13.729 7.767 1.00 0.00 C ATOM 28 CG GLU A 4 5.186 -12.515 8.654 1.00 0.00 C ATOM 29 CD GLU A 4 4.280 -12.512 9.887 1.00 0.00 C ATOM 30 OE1 GLU A 4 4.527 -13.357 10.775 1.00 0.00 O ATOM 31 OE2 GLU A 4 3.361 -11.665 9.914 1.00 0.00 O ATOM 0 HA GLU A 4 3.222 -12.644 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.470 -14.530 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.834 -14.108 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.230 -12.526 8.966 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.033 -11.599 8.083 1.00 0.00 H new ATOM 38 N ALA A 5 4.822 -13.472 4.391 1.00 0.00 N ATOM 39 CA ALA A 5 5.513 -12.982 3.209 1.00 0.00 C ATOM 40 C ALA A 5 4.637 -11.943 2.507 1.00 0.00 C ATOM 41 O ALA A 5 5.090 -11.264 1.587 1.00 0.00 O ATOM 42 CB ALA A 5 5.865 -14.160 2.298 1.00 0.00 C ATOM 0 H ALA A 5 4.461 -14.423 4.311 1.00 0.00 H new ATOM 0 HA ALA A 5 6.448 -12.493 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.383 -13.793 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.512 -14.854 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.952 -14.673 1.998 1.00 0.00 H new ATOM 48 N ILE A 6 3.398 -11.851 2.967 1.00 0.00 N ATOM 49 CA ILE A 6 2.455 -10.907 2.394 1.00 0.00 C ATOM 50 C ILE A 6 2.501 -9.600 3.188 1.00 0.00 C ATOM 51 O ILE A 6 2.650 -8.523 2.612 1.00 0.00 O ATOM 52 CB ILE A 6 1.057 -11.526 2.311 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.835 -12.197 0.955 1.00 0.00 C ATOM 54 CG2 ILE A 6 -0.022 -10.489 2.623 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.591 -12.743 0.840 1.00 0.00 C ATOM 0 H ILE A 6 3.025 -12.415 3.731 1.00 0.00 H new ATOM 0 HA ILE A 6 2.734 -10.668 1.368 1.00 0.00 H new ATOM 0 HB ILE A 6 0.982 -12.304 3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.019 -11.479 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.551 -13.009 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.005 -10.955 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.128 -10.100 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.041 -9.671 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.722 -13.215 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.764 -13.478 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.303 -11.925 0.946 1.00 0.00 H new ATOM 67 N LYS A 7 2.371 -9.737 4.500 1.00 0.00 N ATOM 68 CA LYS A 7 2.397 -8.581 5.380 1.00 0.00 C ATOM 69 C LYS A 7 3.749 -7.877 5.250 1.00 0.00 C ATOM 70 O LYS A 7 3.822 -6.651 5.312 1.00 0.00 O ATOM 71 CB LYS A 7 2.051 -8.991 6.813 1.00 0.00 C ATOM 72 CG LYS A 7 1.124 -7.966 7.468 1.00 0.00 C ATOM 73 CD LYS A 7 1.786 -7.331 8.694 1.00 0.00 C ATOM 74 CE LYS A 7 1.630 -8.226 9.925 1.00 0.00 C ATOM 75 NZ LYS A 7 1.083 -7.451 11.062 1.00 0.00 N ATOM 0 H LYS A 7 2.247 -10.631 4.975 1.00 0.00 H new ATOM 0 HA LYS A 7 1.633 -7.861 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.572 -9.970 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.965 -9.086 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.867 -7.190 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.192 -8.449 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.844 -7.162 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.339 -6.356 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.968 -9.061 9.694 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.596 -8.651 10.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.983 -8.073 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.729 -6.669 11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.152 -7.066 10.804 1.00 0.00 H new ATOM 89 N ASN A 8 4.785 -8.683 5.072 1.00 0.00 N ATOM 90 CA ASN A 8 6.131 -8.152 4.933 1.00 0.00 C ATOM 91 C ASN A 8 6.283 -7.519 3.549 1.00 0.00 C ATOM 92 O ASN A 8 6.602 -6.336 3.435 1.00 0.00 O ATOM 93 CB ASN A 8 7.176 -9.262 5.063 1.00 0.00 C ATOM 94 CG ASN A 8 8.405 -8.769 5.830 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.640 -7.582 5.980 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.174 -9.746 6.304 1.00 0.00 N ATOM 0 H ASN A 8 4.720 -9.700 5.021 1.00 0.00 H new ATOM 0 HA ASN A 8 6.287 -7.415 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.740 -10.118 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.474 -9.604 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.019 -9.521 6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.919 -10.720 6.142 1.00 0.00 H new ATOM 103 N GLY A 9 6.050 -8.334 2.530 1.00 0.00 N ATOM 104 CA GLY A 9 6.158 -7.868 1.159 1.00 0.00 C ATOM 105 C GLY A 9 5.359 -6.579 0.953 1.00 0.00 C ATOM 106 O GLY A 9 5.887 -5.592 0.441 1.00 0.00 O ATOM 0 H GLY A 9 5.787 -9.315 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.205 -7.694 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.794 -8.638 0.480 1.00 0.00 H new ATOM 110 N VAL A 10 4.100 -6.630 1.362 1.00 0.00 N ATOM 111 CA VAL A 10 3.224 -5.479 1.230 1.00 0.00 C ATOM 112 C VAL A 10 3.929 -4.239 1.782 1.00 0.00 C ATOM 113 O VAL A 10 3.828 -3.155 1.208 1.00 0.00 O ATOM 114 CB VAL A 10 1.884 -5.759 1.915 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.144 -4.456 2.226 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.019 -6.692 1.066 1.00 0.00 C ATOM 0 H VAL A 10 3.666 -7.450 1.785 1.00 0.00 H new ATOM 0 HA VAL A 10 3.004 -5.287 0.180 1.00 0.00 H new ATOM 0 HB VAL A 10 2.089 -6.261 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.195 -4.683 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.753 -3.841 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.956 -3.914 1.299 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.073 -6.875 1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.827 -6.229 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.540 -7.638 0.919 1.00 0.00 H new ATOM 126 N LEU A 11 4.629 -4.439 2.889 1.00 0.00 N ATOM 127 CA LEU A 11 5.352 -3.351 3.525 1.00 0.00 C ATOM 128 C LEU A 11 6.612 -3.041 2.716 1.00 0.00 C ATOM 129 O LEU A 11 6.856 -1.890 2.357 1.00 0.00 O ATOM 130 CB LEU A 11 5.628 -3.678 4.994 1.00 0.00 C ATOM 131 CG LEU A 11 5.698 -2.481 5.946 1.00 0.00 C ATOM 132 CD1 LEU A 11 4.562 -1.494 5.669 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.714 -2.941 7.404 1.00 0.00 C ATOM 0 H LEU A 11 4.711 -5.339 3.362 1.00 0.00 H new ATOM 0 HA LEU A 11 4.747 -2.444 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.849 -4.353 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.572 -4.220 5.054 1.00 0.00 H new ATOM 0 HG LEU A 11 6.635 -1.954 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.634 -0.653 6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.638 -1.130 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.604 -1.994 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.764 -2.071 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.806 -3.505 7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.584 -3.575 7.576 1.00 0.00 H new ATOM 145 N ASP A 12 7.381 -4.087 2.453 1.00 0.00 N ATOM 146 CA ASP A 12 8.611 -3.941 1.694 1.00 0.00 C ATOM 147 C ASP A 12 8.313 -3.207 0.385 1.00 0.00 C ATOM 148 O ASP A 12 9.121 -2.403 -0.079 1.00 0.00 O ATOM 149 CB ASP A 12 9.209 -5.305 1.345 1.00 0.00 C ATOM 150 CG ASP A 12 10.737 -5.358 1.333 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.342 -4.432 1.916 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.268 -6.323 0.740 1.00 0.00 O ATOM 0 H ASP A 12 7.176 -5.040 2.752 1.00 0.00 H new ATOM 0 HA ASP A 12 9.320 -3.383 2.305 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.841 -6.040 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.843 -5.605 0.363 1.00 0.00 H new ATOM 157 N ILE A 13 7.150 -3.510 -0.174 1.00 0.00 N ATOM 158 CA ILE A 13 6.735 -2.889 -1.421 1.00 0.00 C ATOM 159 C ILE A 13 6.263 -1.460 -1.141 1.00 0.00 C ATOM 160 O ILE A 13 6.287 -0.610 -2.029 1.00 0.00 O ATOM 161 CB ILE A 13 5.692 -3.754 -2.129 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.360 -4.755 -3.074 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.658 -2.887 -2.851 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.826 -6.170 -2.840 1.00 0.00 C ATOM 0 H ILE A 13 6.483 -4.177 0.213 1.00 0.00 H new ATOM 0 HA ILE A 13 7.576 -2.818 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 13 5.158 -4.330 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.180 -4.461 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.439 -4.740 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.928 -3.528 -3.346 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.150 -2.249 -2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.159 -2.266 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.317 -6.862 -3.524 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.030 -6.470 -1.812 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.751 -6.187 -3.017 1.00 0.00 H new ATOM 176 N LEU A 14 5.843 -1.241 0.096 1.00 0.00 N ATOM 177 CA LEU A 14 5.365 0.068 0.504 1.00 0.00 C ATOM 178 C LEU A 14 6.562 0.977 0.792 1.00 0.00 C ATOM 179 O LEU A 14 6.698 2.042 0.191 1.00 0.00 O ATOM 180 CB LEU A 14 4.392 -0.057 1.678 1.00 0.00 C ATOM 181 CG LEU A 14 2.913 -0.193 1.311 1.00 0.00 C ATOM 182 CD1 LEU A 14 2.151 -0.970 2.387 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.286 1.177 1.042 1.00 0.00 C ATOM 0 H LEU A 14 5.824 -1.949 0.830 1.00 0.00 H new ATOM 0 HA LEU A 14 4.797 0.533 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.680 -0.924 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.509 0.819 2.316 1.00 0.00 H new ATOM 0 HG LEU A 14 2.842 -0.767 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.102 -1.053 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.579 -1.967 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.228 -0.444 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.235 1.051 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.369 1.797 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.808 1.660 0.216 1.00 0.00 H new ATOM 195 N ALA A 15 7.401 0.523 1.712 1.00 0.00 N ATOM 196 CA ALA A 15 8.582 1.280 2.087 1.00 0.00 C ATOM 197 C ALA A 15 9.462 1.490 0.853 1.00 0.00 C ATOM 198 O ALA A 15 10.220 2.456 0.783 1.00 0.00 O ATOM 199 CB ALA A 15 9.320 0.551 3.213 1.00 0.00 C ATOM 0 H ALA A 15 7.285 -0.360 2.209 1.00 0.00 H new ATOM 0 HA ALA A 15 8.303 2.264 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.207 1.119 3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.662 0.454 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.618 -0.440 2.871 1.00 0.00 H new ATOM 205 N ASP A 16 9.331 0.568 -0.090 1.00 0.00 N ATOM 206 CA ASP A 16 10.106 0.640 -1.318 1.00 0.00 C ATOM 207 C ASP A 16 9.498 1.701 -2.237 1.00 0.00 C ATOM 208 O ASP A 16 10.223 2.434 -2.909 1.00 0.00 O ATOM 209 CB ASP A 16 10.084 -0.697 -2.061 1.00 0.00 C ATOM 210 CG ASP A 16 11.159 -1.696 -1.627 1.00 0.00 C ATOM 211 OD1 ASP A 16 11.956 -1.322 -0.740 1.00 0.00 O ATOM 212 OD2 ASP A 16 11.160 -2.810 -2.193 1.00 0.00 O ATOM 0 H ASP A 16 8.701 -0.232 -0.029 1.00 0.00 H new ATOM 0 HA ASP A 16 11.134 0.890 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.105 -1.156 -1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.198 -0.505 -3.128 1.00 0.00 H new ATOM 217 N LEU A 17 8.174 1.750 -2.237 1.00 0.00 N ATOM 218 CA LEU A 17 7.462 2.710 -3.063 1.00 0.00 C ATOM 219 C LEU A 17 7.848 4.128 -2.639 1.00 0.00 C ATOM 220 O LEU A 17 8.263 4.937 -3.468 1.00 0.00 O ATOM 221 CB LEU A 17 5.956 2.444 -3.016 1.00 0.00 C ATOM 222 CG LEU A 17 5.219 2.519 -4.355 1.00 0.00 C ATOM 223 CD1 LEU A 17 3.717 2.293 -4.167 1.00 0.00 C ATOM 224 CD2 LEU A 17 5.514 3.839 -5.070 1.00 0.00 C ATOM 0 H LEU A 17 7.576 1.141 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 17 7.750 2.600 -4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.795 1.453 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.502 3.162 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 17 5.589 1.717 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.216 2.351 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.549 1.309 -3.730 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.314 3.058 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.978 3.867 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.190 4.671 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.585 3.921 -5.256 1.00 0.00 H new ATOM 236 N THR A 18 7.698 4.388 -1.349 1.00 0.00 N ATOM 237 CA THR A 18 8.027 5.694 -0.804 1.00 0.00 C ATOM 238 C THR A 18 9.497 6.027 -1.066 1.00 0.00 C ATOM 239 O THR A 18 9.819 7.130 -1.505 1.00 0.00 O ATOM 240 CB THR A 18 7.660 5.693 0.681 1.00 0.00 C ATOM 241 OG1 THR A 18 8.590 4.788 1.268 1.00 0.00 O ATOM 242 CG2 THR A 18 6.297 5.052 0.948 1.00 0.00 C ATOM 0 H THR A 18 7.353 3.715 -0.664 1.00 0.00 H new ATOM 0 HA THR A 18 7.456 6.482 -1.294 1.00 0.00 H new ATOM 0 HB THR A 18 7.658 6.717 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.695 4.998 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.086 5.078 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.524 5.604 0.412 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.308 4.017 0.605 1.00 0.00 H new ATOM 250 N GLY A 19 10.351 5.052 -0.787 1.00 0.00 N ATOM 251 CA GLY A 19 11.779 5.227 -0.987 1.00 0.00 C ATOM 252 C GLY A 19 12.540 5.073 0.332 1.00 0.00 C ATOM 253 O GLY A 19 13.770 5.053 0.343 1.00 0.00 O ATOM 0 H GLY A 19 10.080 4.138 -0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.141 4.494 -1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.973 6.213 -1.410 1.00 0.00 H new ATOM 257 N SER A 20 11.777 4.966 1.410 1.00 0.00 N ATOM 258 CA SER A 20 12.364 4.815 2.730 1.00 0.00 C ATOM 259 C SER A 20 11.461 3.946 3.608 1.00 0.00 C ATOM 260 O SER A 20 10.273 3.799 3.328 1.00 0.00 O ATOM 261 CB SER A 20 12.596 6.176 3.390 1.00 0.00 C ATOM 262 OG SER A 20 13.532 6.097 4.461 1.00 0.00 O ATOM 0 H SER A 20 10.757 4.981 1.396 1.00 0.00 H new ATOM 0 HA SER A 20 13.332 4.326 2.619 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.958 6.884 2.644 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.649 6.564 3.764 1.00 0.00 H new ATOM 0 HG SER A 20 13.654 6.986 4.855 1.00 0.00 H new ATOM 268 N ASP A 21 12.060 3.393 4.652 1.00 0.00 N ATOM 269 CA ASP A 21 11.324 2.542 5.572 1.00 0.00 C ATOM 270 C ASP A 21 10.636 3.414 6.626 1.00 0.00 C ATOM 271 O ASP A 21 10.872 3.250 7.822 1.00 0.00 O ATOM 272 CB ASP A 21 12.261 1.575 6.298 1.00 0.00 C ATOM 273 CG ASP A 21 13.666 2.118 6.570 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.504 2.010 5.649 1.00 0.00 O ATOM 275 OD2 ASP A 21 13.870 2.628 7.693 1.00 0.00 O ATOM 0 H ASP A 21 13.046 3.517 4.881 1.00 0.00 H new ATOM 0 HA ASP A 21 10.595 1.973 4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.805 1.296 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.348 0.664 5.706 1.00 0.00 H new ATOM 280 N ASP A 22 9.800 4.321 6.143 1.00 0.00 N ATOM 281 CA ASP A 22 9.076 5.218 7.028 1.00 0.00 C ATOM 282 C ASP A 22 7.741 4.578 7.415 1.00 0.00 C ATOM 283 O ASP A 22 7.388 4.534 8.592 1.00 0.00 O ATOM 284 CB ASP A 22 8.779 6.551 6.338 1.00 0.00 C ATOM 285 CG ASP A 22 9.047 6.574 4.832 1.00 0.00 C ATOM 286 OD1 ASP A 22 8.612 5.611 4.163 1.00 0.00 O ATOM 287 OD2 ASP A 22 9.681 7.553 4.384 1.00 0.00 O ATOM 0 H ASP A 22 9.608 4.454 5.150 1.00 0.00 H new ATOM 0 HA ASP A 22 9.695 5.397 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.733 6.807 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.379 7.329 6.810 1.00 0.00 H new ATOM 292 N VAL A 23 7.035 4.098 6.401 1.00 0.00 N ATOM 293 CA VAL A 23 5.746 3.463 6.620 1.00 0.00 C ATOM 294 C VAL A 23 5.967 2.037 7.132 1.00 0.00 C ATOM 295 O VAL A 23 5.017 1.363 7.529 1.00 0.00 O ATOM 296 CB VAL A 23 4.912 3.517 5.339 1.00 0.00 C ATOM 297 CG1 VAL A 23 4.529 4.958 4.996 1.00 0.00 C ATOM 298 CG2 VAL A 23 5.650 2.852 4.175 1.00 0.00 C ATOM 0 H VAL A 23 7.331 4.136 5.426 1.00 0.00 H new ATOM 0 HA VAL A 23 5.180 3.998 7.382 1.00 0.00 H new ATOM 0 HB VAL A 23 3.992 2.959 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.937 4.969 4.081 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.945 5.383 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.433 5.550 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.035 2.904 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.593 3.369 3.999 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.848 1.808 4.419 1.00 0.00 H new ATOM 308 N LYS A 24 7.224 1.620 7.105 1.00 0.00 N ATOM 309 CA LYS A 24 7.580 0.287 7.560 1.00 0.00 C ATOM 310 C LYS A 24 7.318 0.180 9.063 1.00 0.00 C ATOM 311 O LYS A 24 6.832 -0.846 9.540 1.00 0.00 O ATOM 312 CB LYS A 24 9.018 -0.049 7.160 1.00 0.00 C ATOM 313 CG LYS A 24 9.435 -1.415 7.711 1.00 0.00 C ATOM 314 CD LYS A 24 10.596 -1.276 8.698 1.00 0.00 C ATOM 315 CE LYS A 24 10.395 -2.183 9.913 1.00 0.00 C ATOM 316 NZ LYS A 24 11.350 -1.831 10.987 1.00 0.00 N ATOM 0 H LYS A 24 8.009 2.182 6.775 1.00 0.00 H new ATOM 0 HA LYS A 24 6.955 -0.462 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.107 -0.048 6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.693 0.720 7.535 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.586 -1.886 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.728 -2.069 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.532 -1.530 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.679 -0.239 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.373 -2.087 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.533 -3.225 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.200 -2.457 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.323 -1.946 10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.200 -0.843 11.275 1.00 0.00 H new ATOM 330 N LYS A 25 7.651 1.251 9.768 1.00 0.00 N ATOM 331 CA LYS A 25 7.458 1.290 11.208 1.00 0.00 C ATOM 332 C LYS A 25 6.085 1.889 11.518 1.00 0.00 C ATOM 333 O LYS A 25 5.357 1.376 12.366 1.00 0.00 O ATOM 334 CB LYS A 25 8.617 2.025 11.883 1.00 0.00 C ATOM 335 CG LYS A 25 8.598 3.515 11.535 1.00 0.00 C ATOM 336 CD LYS A 25 7.695 4.291 12.494 1.00 0.00 C ATOM 337 CE LYS A 25 8.512 4.945 13.610 1.00 0.00 C ATOM 338 NZ LYS A 25 7.663 5.860 14.406 1.00 0.00 N ATOM 0 H LYS A 25 8.054 2.099 9.369 1.00 0.00 H new ATOM 0 HA LYS A 25 7.466 0.282 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.552 1.899 12.964 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.564 1.586 11.568 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.611 3.915 11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.247 3.648 10.512 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.147 5.056 11.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.955 3.618 12.927 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.935 4.177 14.257 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.349 5.497 13.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.233 6.295 15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.280 6.604 13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.879 5.325 14.831 1.00 0.00 H new ATOM 352 N ASN A 26 5.772 2.967 10.813 1.00 0.00 N ATOM 353 CA ASN A 26 4.499 3.641 11.002 1.00 0.00 C ATOM 354 C ASN A 26 3.412 2.898 10.224 1.00 0.00 C ATOM 355 O ASN A 26 3.572 2.624 9.036 1.00 0.00 O ATOM 356 CB ASN A 26 4.555 5.079 10.482 1.00 0.00 C ATOM 357 CG ASN A 26 3.853 6.039 11.444 1.00 0.00 C ATOM 358 OD1 ASN A 26 2.627 6.386 11.064 1.00 0.00 O flip ATOM 359 ND2 ASN A 26 4.390 6.437 12.465 1.00 0.00 N flip ATOM 0 H ASN A 26 6.378 3.390 10.110 1.00 0.00 H new ATOM 0 HA ASN A 26 4.279 3.652 12.069 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.594 5.383 10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.084 5.133 9.501 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.335 6.131 12.697 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.894 7.076 13.086 1.00 0.00 H new ATOM 366 N LEU A 27 2.330 2.593 10.926 1.00 0.00 N ATOM 367 CA LEU A 27 1.217 1.887 10.315 1.00 0.00 C ATOM 368 C LEU A 27 0.033 2.844 10.162 1.00 0.00 C ATOM 369 O LEU A 27 -1.116 2.455 10.367 1.00 0.00 O ATOM 370 CB LEU A 27 0.886 0.621 11.109 1.00 0.00 C ATOM 371 CG LEU A 27 1.831 -0.565 10.904 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.474 -1.718 11.845 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.850 -1.005 9.440 1.00 0.00 C ATOM 0 H LEU A 27 2.201 2.822 11.912 1.00 0.00 H new ATOM 0 HA LEU A 27 1.484 1.548 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.876 0.873 12.169 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.124 0.305 10.847 1.00 0.00 H new ATOM 0 HG LEU A 27 2.842 -0.244 11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.160 -2.549 11.679 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.554 -1.382 12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.453 -2.046 11.648 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.529 -1.849 9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.846 -1.302 9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.188 -0.178 8.816 1.00 0.00 H new ATOM 385 N ASP A 28 0.355 4.078 9.803 1.00 0.00 N ATOM 386 CA ASP A 28 -0.668 5.095 9.620 1.00 0.00 C ATOM 387 C ASP A 28 -0.025 6.364 9.057 1.00 0.00 C ATOM 388 O ASP A 28 -0.456 7.472 9.367 1.00 0.00 O ATOM 389 CB ASP A 28 -1.332 5.453 10.952 1.00 0.00 C ATOM 390 CG ASP A 28 -2.859 5.355 10.958 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.355 4.226 11.160 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.497 6.412 10.762 1.00 0.00 O ATOM 0 H ASP A 28 1.309 4.397 9.634 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.419 4.699 8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.937 4.795 11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.047 6.470 11.222 1.00 0.00 H new ATOM 397 N LEU A 29 0.996 6.157 8.238 1.00 0.00 N ATOM 398 CA LEU A 29 1.703 7.271 7.629 1.00 0.00 C ATOM 399 C LEU A 29 1.093 7.566 6.256 1.00 0.00 C ATOM 400 O LEU A 29 1.397 6.884 5.279 1.00 0.00 O ATOM 401 CB LEU A 29 3.206 6.993 7.587 1.00 0.00 C ATOM 402 CG LEU A 29 4.074 8.083 6.953 1.00 0.00 C ATOM 403 CD1 LEU A 29 3.846 9.431 7.640 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.549 7.681 6.954 1.00 0.00 C ATOM 0 H LEU A 29 1.350 5.235 7.982 1.00 0.00 H new ATOM 0 HA LEU A 29 1.586 8.172 8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.553 6.828 8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.368 6.064 7.041 1.00 0.00 H new ATOM 0 HG LEU A 29 3.774 8.196 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.474 10.189 7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.799 9.717 7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.103 9.349 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.142 8.473 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.882 7.523 7.980 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.675 6.760 6.385 1.00 0.00 H new ATOM 416 N ASN A 30 0.245 8.584 6.228 1.00 0.00 N ATOM 417 CA ASN A 30 -0.409 8.978 4.991 1.00 0.00 C ATOM 418 C ASN A 30 0.587 8.869 3.835 1.00 0.00 C ATOM 419 O ASN A 30 1.603 9.562 3.819 1.00 0.00 O ATOM 420 CB ASN A 30 -0.895 10.426 5.063 1.00 0.00 C ATOM 421 CG ASN A 30 -1.585 10.708 6.400 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.347 11.713 7.050 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.449 9.769 6.771 1.00 0.00 N ATOM 0 H ASN A 30 -0.004 9.147 7.041 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.263 8.319 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.051 11.103 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.587 10.622 4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.961 9.865 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.600 8.952 6.179 1.00 0.00 H new ATOM 430 N LEU A 31 0.261 7.995 2.895 1.00 0.00 N ATOM 431 CA LEU A 31 1.114 7.786 1.738 1.00 0.00 C ATOM 432 C LEU A 31 0.905 8.930 0.744 1.00 0.00 C ATOM 433 O LEU A 31 1.632 9.040 -0.244 1.00 0.00 O ATOM 434 CB LEU A 31 0.875 6.399 1.138 1.00 0.00 C ATOM 435 CG LEU A 31 1.159 5.212 2.060 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.012 4.201 2.022 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.505 4.566 1.720 1.00 0.00 C ATOM 0 H LEU A 31 -0.583 7.423 2.911 1.00 0.00 H new ATOM 0 HA LEU A 31 2.164 7.804 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.163 6.340 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.495 6.298 0.247 1.00 0.00 H new ATOM 0 HG LEU A 31 1.227 5.582 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.240 3.367 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.909 4.684 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.113 3.831 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.684 3.725 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.489 4.213 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.302 5.300 1.839 1.00 0.00 H new ATOM 449 N PHE A 32 -0.091 9.754 1.037 1.00 0.00 N ATOM 450 CA PHE A 32 -0.403 10.886 0.182 1.00 0.00 C ATOM 451 C PHE A 32 -0.126 12.208 0.899 1.00 0.00 C ATOM 452 O PHE A 32 0.447 13.127 0.314 1.00 0.00 O ATOM 453 CB PHE A 32 -1.895 10.800 -0.145 1.00 0.00 C ATOM 454 CG PHE A 32 -2.268 9.622 -1.047 1.00 0.00 C ATOM 455 CD1 PHE A 32 -1.524 9.350 -2.152 1.00 0.00 C ATOM 456 CD2 PHE A 32 -3.343 8.846 -0.744 1.00 0.00 C ATOM 457 CE1 PHE A 32 -1.871 8.257 -2.990 1.00 0.00 C ATOM 458 CE2 PHE A 32 -3.690 7.754 -1.581 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.946 7.481 -2.686 1.00 0.00 C ATOM 0 H PHE A 32 -0.692 9.660 1.855 1.00 0.00 H new ATOM 0 HA PHE A 32 0.214 10.855 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.457 10.723 0.786 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.204 11.727 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.669 9.965 -2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.933 9.061 0.135 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.281 8.042 -3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.545 7.140 -1.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.208 6.648 -3.322 1.00 0.00 H new ATOM 469 N GLU A 33 -0.543 12.263 2.155 1.00 0.00 N ATOM 470 CA GLU A 33 -0.347 13.458 2.958 1.00 0.00 C ATOM 471 C GLU A 33 1.133 13.622 3.312 1.00 0.00 C ATOM 472 O GLU A 33 1.554 14.689 3.756 1.00 0.00 O ATOM 473 CB GLU A 33 -1.212 13.420 4.219 1.00 0.00 C ATOM 474 CG GLU A 33 -1.930 14.754 4.432 1.00 0.00 C ATOM 475 CD GLU A 33 -1.645 15.314 5.828 1.00 0.00 C ATOM 476 OE1 GLU A 33 -1.458 14.484 6.744 1.00 0.00 O ATOM 477 OE2 GLU A 33 -1.619 16.558 5.946 1.00 0.00 O ATOM 0 H GLU A 33 -1.016 11.499 2.637 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.658 14.322 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.945 12.617 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.589 13.196 5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.607 15.470 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.004 14.618 4.303 1.00 0.00 H new ATOM 484 N THR A 34 1.881 12.548 3.103 1.00 0.00 N ATOM 485 CA THR A 34 3.304 12.559 3.395 1.00 0.00 C ATOM 486 C THR A 34 4.105 12.883 2.133 1.00 0.00 C ATOM 487 O THR A 34 5.290 13.205 2.211 1.00 0.00 O ATOM 488 CB THR A 34 3.669 11.210 4.017 1.00 0.00 C ATOM 489 OG1 THR A 34 2.832 11.119 5.167 1.00 0.00 O ATOM 490 CG2 THR A 34 5.089 11.194 4.588 1.00 0.00 C ATOM 0 H THR A 34 1.528 11.665 2.735 1.00 0.00 H new ATOM 0 HA THR A 34 3.555 13.342 4.111 1.00 0.00 H new ATOM 0 HB THR A 34 3.570 10.426 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.336 10.274 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.298 10.214 5.017 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.804 11.401 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.178 11.956 5.362 1.00 0.00 H new ATOM 498 N GLY A 35 3.426 12.787 0.999 1.00 0.00 N ATOM 499 CA GLY A 35 4.060 13.066 -0.278 1.00 0.00 C ATOM 500 C GLY A 35 4.846 11.853 -0.777 1.00 0.00 C ATOM 501 O GLY A 35 5.359 11.857 -1.895 1.00 0.00 O ATOM 0 H GLY A 35 2.443 12.520 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.302 13.340 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.729 13.921 -0.177 1.00 0.00 H new ATOM 505 N LEU A 36 4.918 10.842 0.077 1.00 0.00 N ATOM 506 CA LEU A 36 5.633 9.624 -0.263 1.00 0.00 C ATOM 507 C LEU A 36 5.099 9.077 -1.588 1.00 0.00 C ATOM 508 O LEU A 36 5.873 8.682 -2.459 1.00 0.00 O ATOM 509 CB LEU A 36 5.561 8.620 0.891 1.00 0.00 C ATOM 510 CG LEU A 36 6.327 9.001 2.159 1.00 0.00 C ATOM 511 CD1 LEU A 36 5.902 8.126 3.339 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.838 8.950 1.922 1.00 0.00 C ATOM 0 H LEU A 36 4.493 10.842 1.004 1.00 0.00 H new ATOM 0 HA LEU A 36 6.693 9.833 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.513 8.473 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.939 7.661 0.536 1.00 0.00 H new ATOM 0 HG LEU A 36 6.076 10.030 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.461 8.417 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.835 8.256 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.106 7.080 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.360 9.225 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.127 7.940 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.106 9.648 1.129 1.00 0.00 H new ATOM 524 N LEU A 37 3.778 9.070 -1.700 1.00 0.00 N ATOM 525 CA LEU A 37 3.131 8.577 -2.904 1.00 0.00 C ATOM 526 C LEU A 37 2.404 9.732 -3.596 1.00 0.00 C ATOM 527 O LEU A 37 2.232 10.801 -3.012 1.00 0.00 O ATOM 528 CB LEU A 37 2.225 7.388 -2.578 1.00 0.00 C ATOM 529 CG LEU A 37 2.541 6.083 -3.311 1.00 0.00 C ATOM 530 CD1 LEU A 37 2.160 4.870 -2.461 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.871 6.052 -4.686 1.00 0.00 C ATOM 0 H LEU A 37 3.139 9.398 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 37 3.873 8.199 -3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.277 7.201 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.196 7.668 -2.803 1.00 0.00 H new ATOM 0 HG LEU A 37 3.618 6.035 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.395 3.956 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.721 4.890 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.092 4.899 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.111 5.114 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.791 6.133 -4.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.233 6.887 -5.286 1.00 0.00 H new ATOM 543 N ASP A 38 1.998 9.479 -4.831 1.00 0.00 N ATOM 544 CA ASP A 38 1.295 10.483 -5.609 1.00 0.00 C ATOM 545 C ASP A 38 0.116 9.830 -6.332 1.00 0.00 C ATOM 546 O ASP A 38 -0.999 10.348 -6.304 1.00 0.00 O ATOM 547 CB ASP A 38 2.211 11.104 -6.665 1.00 0.00 C ATOM 548 CG ASP A 38 2.730 12.504 -6.329 1.00 0.00 C ATOM 549 OD1 ASP A 38 3.584 12.590 -5.420 1.00 0.00 O ATOM 550 OD2 ASP A 38 2.262 13.456 -6.989 1.00 0.00 O ATOM 0 H ASP A 38 2.143 8.592 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 38 0.954 11.260 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.065 10.443 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.671 11.150 -7.611 1.00 0.00 H new ATOM 555 N SER A 39 0.402 8.700 -6.963 1.00 0.00 N ATOM 556 CA SER A 39 -0.620 7.970 -7.693 1.00 0.00 C ATOM 557 C SER A 39 0.021 6.847 -8.510 1.00 0.00 C ATOM 558 O SER A 39 -0.337 5.680 -8.356 1.00 0.00 O ATOM 559 CB SER A 39 -1.417 8.902 -8.607 1.00 0.00 C ATOM 560 OG SER A 39 -0.677 10.071 -8.954 1.00 0.00 O ATOM 0 H SER A 39 1.328 8.272 -6.983 1.00 0.00 H new ATOM 0 HA SER A 39 -1.311 7.536 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.697 8.367 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.342 9.193 -8.110 1.00 0.00 H new ATOM 0 HG SER A 39 -1.220 10.640 -9.539 1.00 0.00 H new ATOM 566 N MET A 40 0.958 7.238 -9.361 1.00 0.00 N ATOM 567 CA MET A 40 1.653 6.279 -10.202 1.00 0.00 C ATOM 568 C MET A 40 2.187 5.109 -9.374 1.00 0.00 C ATOM 569 O MET A 40 2.335 3.999 -9.884 1.00 0.00 O ATOM 570 CB MET A 40 2.816 6.973 -10.915 1.00 0.00 C ATOM 571 CG MET A 40 2.321 7.768 -12.124 1.00 0.00 C ATOM 572 SD MET A 40 3.541 7.723 -13.427 1.00 0.00 S ATOM 573 CE MET A 40 3.025 6.245 -14.284 1.00 0.00 C ATOM 0 H MET A 40 1.252 8.207 -9.486 1.00 0.00 H new ATOM 0 HA MET A 40 0.947 5.888 -10.935 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.327 7.640 -10.221 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.545 6.230 -11.238 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.379 7.352 -12.482 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.124 8.800 -11.835 1.00 0.00 H new ATOM 0 HE1 MET A 40 3.685 6.068 -15.133 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.072 5.395 -13.604 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.002 6.369 -14.639 1.00 0.00 H new ATOM 583 N GLY A 41 2.462 5.397 -8.111 1.00 0.00 N ATOM 584 CA GLY A 41 2.977 4.381 -7.207 1.00 0.00 C ATOM 585 C GLY A 41 1.950 3.266 -6.993 1.00 0.00 C ATOM 586 O GLY A 41 2.262 2.089 -7.167 1.00 0.00 O ATOM 0 H GLY A 41 2.338 6.318 -7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.897 3.960 -7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.230 4.836 -6.249 1.00 0.00 H new ATOM 590 N THR A 42 0.747 3.677 -6.620 1.00 0.00 N ATOM 591 CA THR A 42 -0.326 2.727 -6.381 1.00 0.00 C ATOM 592 C THR A 42 -0.442 1.747 -7.549 1.00 0.00 C ATOM 593 O THR A 42 -0.814 0.590 -7.361 1.00 0.00 O ATOM 594 CB THR A 42 -1.610 3.520 -6.123 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.895 3.281 -4.748 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.816 2.936 -6.861 1.00 0.00 C ATOM 0 H THR A 42 0.492 4.654 -6.478 1.00 0.00 H new ATOM 0 HA THR A 42 -0.123 2.114 -5.503 1.00 0.00 H new ATOM 0 HB THR A 42 -1.465 4.556 -6.428 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.712 3.760 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.700 3.535 -6.644 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.625 2.946 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.983 1.911 -6.531 1.00 0.00 H new ATOM 604 N VAL A 43 -0.115 2.246 -8.733 1.00 0.00 N ATOM 605 CA VAL A 43 -0.177 1.429 -9.933 1.00 0.00 C ATOM 606 C VAL A 43 0.848 0.297 -9.828 1.00 0.00 C ATOM 607 O VAL A 43 0.494 -0.877 -9.923 1.00 0.00 O ATOM 608 CB VAL A 43 0.023 2.303 -11.172 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.030 1.463 -12.450 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.006 3.435 -11.217 1.00 0.00 C ATOM 0 H VAL A 43 0.194 3.206 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.160 0.969 -10.031 1.00 0.00 H new ATOM 0 HB VAL A 43 1.014 2.753 -11.108 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.115 2.109 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.757 0.710 -12.423 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.000 0.971 -12.522 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.841 4.041 -12.108 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.010 3.013 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.900 4.058 -10.329 1.00 0.00 H new ATOM 620 N GLN A 44 2.098 0.691 -9.633 1.00 0.00 N ATOM 621 CA GLN A 44 3.177 -0.276 -9.514 1.00 0.00 C ATOM 622 C GLN A 44 2.882 -1.264 -8.384 1.00 0.00 C ATOM 623 O GLN A 44 2.878 -2.475 -8.598 1.00 0.00 O ATOM 624 CB GLN A 44 4.519 0.425 -9.293 1.00 0.00 C ATOM 625 CG GLN A 44 5.680 -0.562 -9.425 1.00 0.00 C ATOM 626 CD GLN A 44 6.919 0.123 -10.008 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.882 1.261 -10.446 1.00 0.00 O ATOM 628 NE2 GLN A 44 8.014 -0.632 -9.989 1.00 0.00 N ATOM 0 H GLN A 44 2.388 1.666 -9.554 1.00 0.00 H new ATOM 0 HA GLN A 44 3.245 -0.833 -10.449 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.637 1.230 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.536 0.882 -8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.918 -0.982 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.384 -1.393 -10.065 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.975 -1.577 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.892 -0.266 -10.356 1.00 0.00 H new ATOM 637 N LEU A 45 2.641 -0.710 -7.204 1.00 0.00 N ATOM 638 CA LEU A 45 2.346 -1.527 -6.040 1.00 0.00 C ATOM 639 C LEU A 45 1.324 -2.601 -6.422 1.00 0.00 C ATOM 640 O LEU A 45 1.425 -3.744 -5.979 1.00 0.00 O ATOM 641 CB LEU A 45 1.907 -0.649 -4.866 1.00 0.00 C ATOM 642 CG LEU A 45 0.586 -1.037 -4.197 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.683 -2.422 -3.554 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.146 0.032 -3.193 1.00 0.00 C ATOM 0 H LEU A 45 2.644 0.295 -7.030 1.00 0.00 H new ATOM 0 HA LEU A 45 3.243 -2.046 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.693 -0.666 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.825 0.380 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.184 -1.093 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.269 -2.673 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.918 -3.162 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.469 -2.418 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.795 -0.268 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.909 0.143 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.011 0.982 -3.709 1.00 0.00 H new ATOM 656 N LEU A 46 0.363 -2.194 -7.238 1.00 0.00 N ATOM 657 CA LEU A 46 -0.675 -3.107 -7.684 1.00 0.00 C ATOM 658 C LEU A 46 -0.039 -4.246 -8.482 1.00 0.00 C ATOM 659 O LEU A 46 -0.422 -5.406 -8.329 1.00 0.00 O ATOM 660 CB LEU A 46 -1.760 -2.349 -8.453 1.00 0.00 C ATOM 661 CG LEU A 46 -3.082 -2.138 -7.712 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.082 -1.375 -8.584 1.00 0.00 C ATOM 663 CD2 LEU A 46 -3.652 -3.469 -7.217 1.00 0.00 C ATOM 0 H LEU A 46 0.281 -1.245 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.178 -3.559 -6.829 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.364 -1.373 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.966 -2.888 -9.378 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.887 -1.525 -6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.013 -1.238 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.668 -0.401 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.278 -1.942 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.591 -3.290 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.830 -4.127 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.942 -3.939 -6.537 1.00 0.00 H new ATOM 675 N LEU A 47 0.922 -3.878 -9.317 1.00 0.00 N ATOM 676 CA LEU A 47 1.615 -4.854 -10.139 1.00 0.00 C ATOM 677 C LEU A 47 2.182 -5.958 -9.244 1.00 0.00 C ATOM 678 O LEU A 47 2.114 -7.138 -9.587 1.00 0.00 O ATOM 679 CB LEU A 47 2.668 -4.169 -11.013 1.00 0.00 C ATOM 680 CG LEU A 47 2.758 -4.656 -12.461 1.00 0.00 C ATOM 681 CD1 LEU A 47 3.061 -6.153 -12.519 1.00 0.00 C ATOM 682 CD2 LEU A 47 1.490 -4.297 -13.239 1.00 0.00 C ATOM 0 H LEU A 47 1.237 -2.916 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 47 0.921 -5.330 -10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.463 -3.099 -11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.643 -4.302 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 47 3.589 -4.141 -12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.119 -6.472 -13.560 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.012 -6.351 -12.025 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.268 -6.705 -12.014 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.579 -4.654 -14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.628 -4.766 -12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.359 -3.215 -13.242 1.00 0.00 H new ATOM 694 N GLU A 48 2.728 -5.536 -8.113 1.00 0.00 N ATOM 695 CA GLU A 48 3.307 -6.474 -7.166 1.00 0.00 C ATOM 696 C GLU A 48 2.210 -7.098 -6.300 1.00 0.00 C ATOM 697 O GLU A 48 2.390 -8.184 -5.750 1.00 0.00 O ATOM 698 CB GLU A 48 4.368 -5.793 -6.299 1.00 0.00 C ATOM 699 CG GLU A 48 5.761 -6.348 -6.602 1.00 0.00 C ATOM 700 CD GLU A 48 6.517 -5.434 -7.568 1.00 0.00 C ATOM 701 OE1 GLU A 48 7.191 -4.509 -7.065 1.00 0.00 O ATOM 702 OE2 GLU A 48 6.406 -5.682 -8.788 1.00 0.00 O ATOM 0 H GLU A 48 2.782 -4.557 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 48 3.798 -7.270 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.354 -4.718 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.134 -5.944 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.325 -6.450 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.673 -7.345 -7.033 1.00 0.00 H new ATOM 709 N LEU A 49 1.097 -6.384 -6.205 1.00 0.00 N ATOM 710 CA LEU A 49 -0.029 -6.855 -5.416 1.00 0.00 C ATOM 711 C LEU A 49 -0.887 -7.793 -6.268 1.00 0.00 C ATOM 712 O LEU A 49 -1.817 -8.419 -5.763 1.00 0.00 O ATOM 713 CB LEU A 49 -0.804 -5.673 -4.832 1.00 0.00 C ATOM 714 CG LEU A 49 -1.254 -5.821 -3.377 1.00 0.00 C ATOM 715 CD1 LEU A 49 -0.056 -5.803 -2.427 1.00 0.00 C ATOM 716 CD2 LEU A 49 -2.289 -4.754 -3.012 1.00 0.00 C ATOM 0 H LEU A 49 0.951 -5.483 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 49 0.320 -7.432 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.182 -4.781 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.686 -5.502 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.738 -6.792 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.405 -5.910 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.614 -6.628 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.478 -4.859 -2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.592 -4.882 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.853 -3.764 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.160 -4.856 -3.659 1.00 0.00 H new ATOM 728 N GLN A 50 -0.544 -7.860 -7.545 1.00 0.00 N ATOM 729 CA GLN A 50 -1.271 -8.710 -8.472 1.00 0.00 C ATOM 730 C GLN A 50 -0.358 -9.817 -9.005 1.00 0.00 C ATOM 731 O GLN A 50 -0.672 -10.456 -10.009 1.00 0.00 O ATOM 732 CB GLN A 50 -1.866 -7.890 -9.619 1.00 0.00 C ATOM 733 CG GLN A 50 -2.968 -8.671 -10.337 1.00 0.00 C ATOM 734 CD GLN A 50 -3.720 -7.775 -11.324 1.00 0.00 C ATOM 735 OE1 GLN A 50 -3.141 -7.121 -12.175 1.00 0.00 O ATOM 736 NE2 GLN A 50 -5.040 -7.781 -11.160 1.00 0.00 N ATOM 0 H GLN A 50 0.228 -7.339 -7.960 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.098 -9.175 -7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.271 -6.956 -9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.081 -7.627 -10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.532 -9.517 -10.868 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.666 -9.078 -9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.460 -8.352 -10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.632 -7.214 -11.767 1.00 0.00 H new ATOM 745 N SER A 51 0.753 -10.009 -8.310 1.00 0.00 N ATOM 746 CA SER A 51 1.713 -11.028 -8.700 1.00 0.00 C ATOM 747 C SER A 51 2.009 -11.950 -7.516 1.00 0.00 C ATOM 748 O SER A 51 1.869 -13.168 -7.623 1.00 0.00 O ATOM 749 CB SER A 51 3.007 -10.396 -9.217 1.00 0.00 C ATOM 750 OG SER A 51 2.904 -10.011 -10.585 1.00 0.00 O ATOM 0 H SER A 51 1.010 -9.476 -7.479 1.00 0.00 H new ATOM 0 HA SER A 51 1.278 -11.615 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.251 -9.523 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.828 -11.104 -9.100 1.00 0.00 H new ATOM 0 HG SER A 51 2.644 -9.068 -10.641 1.00 0.00 H new ATOM 756 N GLN A 52 2.412 -11.335 -6.414 1.00 0.00 N ATOM 757 CA GLN A 52 2.729 -12.085 -5.211 1.00 0.00 C ATOM 758 C GLN A 52 1.455 -12.373 -4.414 1.00 0.00 C ATOM 759 O GLN A 52 1.418 -13.305 -3.613 1.00 0.00 O ATOM 760 CB GLN A 52 3.756 -11.341 -4.355 1.00 0.00 C ATOM 761 CG GLN A 52 5.085 -11.191 -5.099 1.00 0.00 C ATOM 762 CD GLN A 52 6.067 -12.291 -4.692 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.899 -13.458 -5.008 1.00 0.00 O ATOM 764 NE2 GLN A 52 7.100 -11.856 -3.976 1.00 0.00 N ATOM 0 H GLN A 52 2.526 -10.325 -6.329 1.00 0.00 H new ATOM 0 HA GLN A 52 3.172 -13.036 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.370 -10.356 -4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.916 -11.881 -3.422 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.911 -11.233 -6.174 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.518 -10.214 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.180 -10.865 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.812 -12.513 -3.657 1.00 0.00 H new ATOM 773 N PHE A 53 0.443 -11.555 -4.662 1.00 0.00 N ATOM 774 CA PHE A 53 -0.829 -11.709 -3.977 1.00 0.00 C ATOM 775 C PHE A 53 -1.954 -12.006 -4.971 1.00 0.00 C ATOM 776 O PHE A 53 -2.763 -12.905 -4.747 1.00 0.00 O ATOM 777 CB PHE A 53 -1.123 -10.383 -3.274 1.00 0.00 C ATOM 778 CG PHE A 53 0.083 -9.782 -2.550 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.109 -9.246 -3.266 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.130 -9.783 -1.192 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.228 -8.689 -2.593 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.250 -9.226 -0.519 1.00 0.00 C ATOM 783 CZ PHE A 53 2.275 -8.690 -1.234 1.00 0.00 C ATOM 0 H PHE A 53 0.478 -10.783 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.774 -12.539 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.486 -9.666 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.927 -10.536 -2.554 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.072 -9.244 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.685 -10.208 -0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.043 -8.264 -3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.288 -9.228 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.126 -8.265 -0.723 1.00 0.00 H new ATOM 793 N GLY A 54 -1.968 -11.234 -6.048 1.00 0.00 N ATOM 794 CA GLY A 54 -2.980 -11.403 -7.076 1.00 0.00 C ATOM 795 C GLY A 54 -4.244 -10.610 -6.737 1.00 0.00 C ATOM 796 O GLY A 54 -5.354 -11.132 -6.836 1.00 0.00 O ATOM 0 H GLY A 54 -1.294 -10.490 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.586 -11.073 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.226 -12.460 -7.179 1.00 0.00 H new ATOM 800 N VAL A 55 -4.034 -9.363 -6.345 1.00 0.00 N ATOM 801 CA VAL A 55 -5.143 -8.492 -5.992 1.00 0.00 C ATOM 802 C VAL A 55 -5.792 -7.956 -7.269 1.00 0.00 C ATOM 803 O VAL A 55 -5.111 -7.733 -8.268 1.00 0.00 O ATOM 804 CB VAL A 55 -4.659 -7.384 -5.055 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.789 -6.402 -4.738 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.066 -7.969 -3.771 1.00 0.00 C ATOM 0 H VAL A 55 -3.112 -8.934 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.908 -9.047 -5.449 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.870 -6.834 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.419 -5.624 -4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.146 -5.947 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.609 -6.934 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.730 -7.159 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.825 -8.556 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.220 -8.609 -4.020 1.00 0.00 H new ATOM 816 N ASP A 56 -7.101 -7.763 -7.194 1.00 0.00 N ATOM 817 CA ASP A 56 -7.849 -7.257 -8.330 1.00 0.00 C ATOM 818 C ASP A 56 -8.432 -5.885 -7.983 1.00 0.00 C ATOM 819 O ASP A 56 -9.499 -5.519 -8.471 1.00 0.00 O ATOM 820 CB ASP A 56 -9.011 -8.188 -8.685 1.00 0.00 C ATOM 821 CG ASP A 56 -8.752 -9.124 -9.867 1.00 0.00 C ATOM 822 OD1 ASP A 56 -7.602 -9.602 -9.971 1.00 0.00 O ATOM 823 OD2 ASP A 56 -9.711 -9.341 -10.639 1.00 0.00 O ATOM 0 H ASP A 56 -7.662 -7.949 -6.363 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.168 -7.191 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.254 -8.791 -7.810 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.888 -7.581 -8.907 1.00 0.00 H new ATOM 828 N ALA A 57 -7.704 -5.166 -7.141 1.00 0.00 N ATOM 829 CA ALA A 57 -8.136 -3.844 -6.722 1.00 0.00 C ATOM 830 C ALA A 57 -8.335 -2.961 -7.957 1.00 0.00 C ATOM 831 O ALA A 57 -7.624 -3.108 -8.949 1.00 0.00 O ATOM 832 CB ALA A 57 -7.113 -3.257 -5.746 1.00 0.00 C ATOM 0 H ALA A 57 -6.819 -5.474 -6.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.091 -3.901 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.437 -2.265 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.029 -3.905 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.143 -3.183 -6.237 1.00 0.00 H new ATOM 838 N PRO A 58 -9.330 -2.041 -7.851 1.00 0.00 N ATOM 839 CA PRO A 58 -9.633 -1.135 -8.946 1.00 0.00 C ATOM 840 C PRO A 58 -8.577 -0.033 -9.052 1.00 0.00 C ATOM 841 O PRO A 58 -7.568 -0.064 -8.350 1.00 0.00 O ATOM 842 CB PRO A 58 -11.022 -0.600 -8.643 1.00 0.00 C ATOM 843 CG PRO A 58 -11.256 -0.861 -7.164 1.00 0.00 C ATOM 844 CD PRO A 58 -10.192 -1.838 -6.689 1.00 0.00 C ATOM 0 HA PRO A 58 -9.616 -1.629 -9.918 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.088 0.465 -8.867 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.775 -1.101 -9.252 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.200 0.069 -6.599 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.252 -1.273 -7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.632 -1.434 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.636 -2.776 -6.356 1.00 0.00 H new ATOM 852 N VAL A 59 -8.846 0.917 -9.936 1.00 0.00 N ATOM 853 CA VAL A 59 -7.932 2.027 -10.144 1.00 0.00 C ATOM 854 C VAL A 59 -8.729 3.269 -10.549 1.00 0.00 C ATOM 855 O VAL A 59 -8.459 4.369 -10.069 1.00 0.00 O ATOM 856 CB VAL A 59 -6.864 1.642 -11.169 1.00 0.00 C ATOM 857 CG1 VAL A 59 -5.915 2.810 -11.438 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.093 0.401 -10.716 1.00 0.00 C ATOM 0 H VAL A 59 -9.684 0.941 -10.516 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.405 2.265 -9.220 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.369 1.400 -12.104 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.166 2.509 -12.170 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.481 3.657 -11.825 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.420 3.098 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.340 0.148 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.605 0.604 -9.762 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.784 -0.434 -10.600 1.00 0.00 H new ATOM 868 N SER A 60 -9.696 3.052 -11.429 1.00 0.00 N ATOM 869 CA SER A 60 -10.534 4.140 -11.904 1.00 0.00 C ATOM 870 C SER A 60 -10.650 5.220 -10.828 1.00 0.00 C ATOM 871 O SER A 60 -10.103 6.312 -10.977 1.00 0.00 O ATOM 872 CB SER A 60 -11.922 3.632 -12.300 1.00 0.00 C ATOM 873 OG SER A 60 -12.474 2.765 -11.314 1.00 0.00 O ATOM 0 H SER A 60 -9.918 2.139 -11.825 1.00 0.00 H new ATOM 0 HA SER A 60 -10.067 4.570 -12.790 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.589 4.481 -12.451 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.857 3.104 -13.251 1.00 0.00 H new ATOM 0 HG SER A 60 -13.361 2.464 -11.603 1.00 0.00 H new ATOM 879 N GLU A 61 -11.365 4.878 -9.766 1.00 0.00 N ATOM 880 CA GLU A 61 -11.560 5.805 -8.664 1.00 0.00 C ATOM 881 C GLU A 61 -11.928 5.044 -7.389 1.00 0.00 C ATOM 882 O GLU A 61 -13.055 5.142 -6.906 1.00 0.00 O ATOM 883 CB GLU A 61 -12.625 6.847 -9.007 1.00 0.00 C ATOM 884 CG GLU A 61 -12.014 8.247 -9.098 1.00 0.00 C ATOM 885 CD GLU A 61 -12.639 9.045 -10.244 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.872 9.245 -10.190 1.00 0.00 O ATOM 887 OE2 GLU A 61 -11.869 9.437 -11.147 1.00 0.00 O ATOM 0 H GLU A 61 -11.816 3.971 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.623 6.334 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.098 6.590 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.407 6.836 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.166 8.776 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.937 8.169 -9.250 1.00 0.00 H new ATOM 894 N PHE A 62 -10.955 4.303 -6.879 1.00 0.00 N ATOM 895 CA PHE A 62 -11.163 3.526 -5.669 1.00 0.00 C ATOM 896 C PHE A 62 -11.130 4.422 -4.429 1.00 0.00 C ATOM 897 O PHE A 62 -11.157 5.646 -4.544 1.00 0.00 O ATOM 898 CB PHE A 62 -10.017 2.516 -5.584 1.00 0.00 C ATOM 899 CG PHE A 62 -8.631 3.127 -5.801 1.00 0.00 C ATOM 900 CD1 PHE A 62 -8.193 4.126 -4.989 1.00 0.00 C ATOM 901 CD2 PHE A 62 -7.836 2.671 -6.806 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.908 4.694 -5.190 1.00 0.00 C ATOM 903 CE2 PHE A 62 -6.550 3.239 -7.007 1.00 0.00 C ATOM 904 CZ PHE A 62 -6.113 4.238 -6.195 1.00 0.00 C ATOM 0 H PHE A 62 -10.021 4.224 -7.281 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.136 3.036 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -10.042 2.035 -4.606 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.179 1.735 -6.327 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.824 4.488 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.183 1.877 -7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.562 5.488 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.919 2.877 -7.805 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.135 4.669 -6.348 1.00 0.00 H new ATOM 914 N ASP A 63 -11.071 3.777 -3.273 1.00 0.00 N ATOM 915 CA ASP A 63 -11.034 4.500 -2.014 1.00 0.00 C ATOM 916 C ASP A 63 -9.579 4.795 -1.642 1.00 0.00 C ATOM 917 O ASP A 63 -8.977 4.067 -0.854 1.00 0.00 O ATOM 918 CB ASP A 63 -11.652 3.672 -0.886 1.00 0.00 C ATOM 919 CG ASP A 63 -12.079 2.257 -1.279 1.00 0.00 C ATOM 920 OD1 ASP A 63 -13.186 2.135 -1.845 1.00 0.00 O ATOM 921 OD2 ASP A 63 -11.287 1.329 -1.007 1.00 0.00 O ATOM 0 H ASP A 63 -11.048 2.761 -3.182 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.602 5.422 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.933 3.604 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.522 4.204 -0.501 1.00 0.00 H new ATOM 926 N ARG A 64 -9.058 5.862 -2.227 1.00 0.00 N ATOM 927 CA ARG A 64 -7.684 6.262 -1.968 1.00 0.00 C ATOM 928 C ARG A 64 -7.401 6.240 -0.464 1.00 0.00 C ATOM 929 O ARG A 64 -6.266 6.016 -0.046 1.00 0.00 O ATOM 930 CB ARG A 64 -7.407 7.665 -2.512 1.00 0.00 C ATOM 931 CG ARG A 64 -8.570 8.611 -2.206 1.00 0.00 C ATOM 932 CD ARG A 64 -8.141 9.710 -1.231 1.00 0.00 C ATOM 933 NE ARG A 64 -9.304 10.165 -0.436 1.00 0.00 N ATOM 934 CZ ARG A 64 -10.171 11.102 -0.842 1.00 0.00 C ATOM 935 NH1 ARG A 64 -10.011 11.691 -2.035 1.00 0.00 N ATOM 936 NH2 ARG A 64 -11.198 11.451 -0.055 1.00 0.00 N ATOM 0 H ARG A 64 -9.561 6.463 -2.880 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.030 5.553 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.490 8.056 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.247 7.616 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.930 9.061 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.400 8.047 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.361 9.335 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.715 10.549 -1.781 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.455 9.738 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.229 11.426 -2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.671 12.404 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.320 11.003 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.858 12.164 -0.364 1.00 0.00 H new ATOM 950 N LYS A 65 -8.452 6.476 0.307 1.00 0.00 N ATOM 951 CA LYS A 65 -8.330 6.486 1.755 1.00 0.00 C ATOM 952 C LYS A 65 -7.807 5.128 2.229 1.00 0.00 C ATOM 953 O LYS A 65 -7.072 5.050 3.211 1.00 0.00 O ATOM 954 CB LYS A 65 -9.655 6.894 2.402 1.00 0.00 C ATOM 955 CG LYS A 65 -9.803 6.269 3.791 1.00 0.00 C ATOM 956 CD LYS A 65 -10.591 7.190 4.725 1.00 0.00 C ATOM 957 CE LYS A 65 -9.658 8.156 5.459 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.420 8.980 6.423 1.00 0.00 N ATOM 0 H LYS A 65 -9.392 6.662 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.604 7.235 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.706 7.980 2.481 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.485 6.581 1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.310 5.308 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.817 6.074 4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.325 7.754 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.144 6.592 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.884 7.596 5.983 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.153 8.801 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.772 9.630 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.143 9.529 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.881 8.361 7.120 1.00 0.00 H new ATOM 972 N GLU A 66 -8.209 4.091 1.507 1.00 0.00 N ATOM 973 CA GLU A 66 -7.790 2.741 1.840 1.00 0.00 C ATOM 974 C GLU A 66 -6.362 2.491 1.351 1.00 0.00 C ATOM 975 O GLU A 66 -5.688 1.581 1.831 1.00 0.00 O ATOM 976 CB GLU A 66 -8.757 1.708 1.260 1.00 0.00 C ATOM 977 CG GLU A 66 -8.306 0.284 1.594 1.00 0.00 C ATOM 978 CD GLU A 66 -9.507 -0.619 1.881 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.486 -0.523 1.111 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.418 -1.385 2.866 1.00 0.00 O ATOM 0 H GLU A 66 -8.820 4.160 0.693 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.805 2.635 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.758 1.879 1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.818 1.829 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.731 -0.123 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.645 0.302 2.460 1.00 0.00 H new ATOM 987 N TRP A 67 -5.944 3.315 0.401 1.00 0.00 N ATOM 988 CA TRP A 67 -4.609 3.195 -0.159 1.00 0.00 C ATOM 989 C TRP A 67 -3.780 4.382 0.336 1.00 0.00 C ATOM 990 O TRP A 67 -2.664 4.602 -0.132 1.00 0.00 O ATOM 991 CB TRP A 67 -4.661 3.098 -1.685 1.00 0.00 C ATOM 992 CG TRP A 67 -5.748 2.159 -2.213 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.982 2.476 -2.629 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.648 0.727 -2.365 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.681 1.357 -3.035 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.844 0.261 -2.870 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.580 -0.145 -2.085 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.087 -1.092 -3.138 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.840 -1.493 -2.358 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -6.039 -1.979 -2.868 1.00 0.00 C ATOM 0 H TRP A 67 -6.507 4.068 0.005 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.132 2.274 0.175 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.824 4.094 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.692 2.757 -2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.379 3.480 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.637 1.338 -3.391 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.635 0.198 -1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -8.033 -1.433 -3.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -4.054 -2.206 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.161 -3.036 -3.055 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.358 5.115 1.276 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.687 6.273 1.840 1.00 0.00 C ATOM 1013 C ASP A 68 -2.697 5.812 2.913 1.00 0.00 C ATOM 1014 O ASP A 68 -1.631 6.404 3.074 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.688 7.224 2.498 1.00 0.00 C ATOM 1016 CG ASP A 68 -4.126 8.057 3.653 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -3.013 8.596 3.474 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.823 8.135 4.687 1.00 0.00 O ATOM 0 H ASP A 68 -5.284 4.929 1.661 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.175 6.793 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.077 7.901 1.737 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.532 6.641 2.867 1.00 0.00 H new ATOM 1023 N THR A 69 -3.086 4.760 3.618 1.00 0.00 N ATOM 1024 CA THR A 69 -2.246 4.212 4.669 1.00 0.00 C ATOM 1025 C THR A 69 -1.856 2.770 4.344 1.00 0.00 C ATOM 1026 O THR A 69 -2.483 2.128 3.501 1.00 0.00 O ATOM 1027 CB THR A 69 -2.996 4.356 5.996 1.00 0.00 C ATOM 1028 OG1 THR A 69 -4.289 3.820 5.723 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.267 5.816 6.360 1.00 0.00 C ATOM 0 H THR A 69 -3.972 4.273 3.482 1.00 0.00 H new ATOM 0 HA THR A 69 -1.306 4.758 4.749 1.00 0.00 H new ATOM 0 HB THR A 69 -2.419 3.885 6.792 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.875 4.532 5.390 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.801 5.861 7.309 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.321 6.350 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.873 6.279 5.581 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.797 2.288 5.048 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.316 0.932 4.843 1.00 0.00 C ATOM 1039 C PRO A 70 -1.255 -0.087 5.492 1.00 0.00 C ATOM 1040 O PRO A 70 -1.479 -1.166 4.946 1.00 0.00 O ATOM 1041 CB PRO A 70 1.082 0.916 5.439 1.00 0.00 C ATOM 1042 CG PRO A 70 1.154 2.119 6.365 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.031 3.018 6.054 1.00 0.00 C ATOM 0 HA PRO A 70 -0.289 0.650 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.263 -0.009 5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.840 0.978 4.658 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.128 1.801 7.407 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.090 2.658 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.629 3.208 6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.296 3.987 5.677 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.780 0.293 6.648 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.689 -0.574 7.377 1.00 0.00 C ATOM 1053 C ASN A 71 -3.925 -0.849 6.518 1.00 0.00 C ATOM 1054 O ASN A 71 -4.283 -2.004 6.290 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.155 0.084 8.678 1.00 0.00 C ATOM 1056 CG ASN A 71 -3.315 1.595 8.500 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.355 2.332 8.341 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -4.576 2.014 8.537 1.00 0.00 N ATOM 0 H ASN A 71 -1.593 1.189 7.097 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.159 -1.498 7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.104 -0.352 8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.435 -0.118 9.471 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.787 3.006 8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.332 1.343 8.673 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.543 0.232 6.065 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.731 0.122 5.235 1.00 0.00 C ATOM 1067 C LYS A 72 -5.432 -0.786 4.041 1.00 0.00 C ATOM 1068 O LYS A 72 -6.306 -1.518 3.578 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.239 1.510 4.840 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.434 1.922 5.701 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.379 3.413 6.039 1.00 0.00 C ATOM 1072 CE LYS A 72 -8.767 3.945 6.403 1.00 0.00 C ATOM 1073 NZ LYS A 72 -9.250 3.318 7.654 1.00 0.00 N ATOM 0 H LYS A 72 -4.244 1.188 6.257 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.544 -0.343 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.437 2.240 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.526 1.510 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.361 1.699 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.443 1.337 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.694 3.576 6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.985 3.968 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.728 5.028 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.466 3.739 5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.145 3.762 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.403 2.301 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.542 3.449 8.404 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.193 -0.710 3.576 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.768 -1.516 2.444 1.00 0.00 C ATOM 1089 C ILE A 73 -3.526 -2.953 2.910 1.00 0.00 C ATOM 1090 O ILE A 73 -4.069 -3.895 2.335 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.558 -0.879 1.757 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.955 0.407 1.029 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.870 -1.878 0.824 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.754 1.020 0.307 1.00 0.00 C ATOM 0 H ILE A 73 -3.470 -0.103 3.963 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.551 -1.554 1.687 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.834 -0.603 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.746 0.193 0.310 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.359 1.124 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.013 -1.401 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.532 -2.740 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.574 -2.206 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.063 1.933 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.975 1.255 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.367 0.310 -0.424 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.708 -3.075 3.945 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.386 -4.382 4.494 1.00 0.00 C ATOM 1108 C ILE A 74 -3.676 -5.185 4.677 1.00 0.00 C ATOM 1109 O ILE A 74 -3.651 -6.414 4.674 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.566 -4.237 5.777 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.065 -4.276 5.475 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.970 -5.291 6.809 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.745 -3.725 6.650 1.00 0.00 C ATOM 0 H ILE A 74 -2.259 -2.291 4.418 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.756 -4.941 3.802 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.783 -3.261 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.241 -5.301 5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.145 -3.692 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.371 -5.165 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.026 -5.174 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.801 -6.286 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.807 -3.764 6.410 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.454 -2.692 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.552 -4.326 7.539 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.771 -4.457 4.832 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.069 -5.086 5.015 1.00 0.00 C ATOM 1127 C ALA A 75 -6.614 -5.526 3.655 1.00 0.00 C ATOM 1128 O ALA A 75 -7.180 -6.611 3.532 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.010 -4.116 5.735 1.00 0.00 C ATOM 0 H ALA A 75 -4.787 -3.437 4.835 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.980 -5.976 5.638 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.983 -4.587 5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.592 -3.858 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.126 -3.211 5.138 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.424 -4.662 2.669 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.891 -4.949 1.323 1.00 0.00 C ATOM 1137 C LYS A 76 -6.218 -6.226 0.816 1.00 0.00 C ATOM 1138 O LYS A 76 -6.843 -7.027 0.122 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.676 -3.737 0.413 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.917 -2.841 0.392 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.113 -3.575 -0.216 1.00 0.00 C ATOM 1142 CE LYS A 76 -9.911 -2.652 -1.139 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.271 -3.189 -1.360 1.00 0.00 N ATOM 0 H LYS A 76 -5.953 -3.763 2.775 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.965 -5.133 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.816 -3.165 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.448 -4.073 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.158 -2.524 1.407 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.709 -1.939 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.765 -4.443 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.759 -3.947 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.974 -1.656 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.395 -2.548 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.799 -2.550 -1.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.206 -4.130 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.766 -3.265 -0.449 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.954 -6.376 1.183 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.190 -7.543 0.774 1.00 0.00 C ATOM 1159 C VAL A 77 -4.688 -8.768 1.542 1.00 0.00 C ATOM 1160 O VAL A 77 -4.753 -9.866 0.990 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.695 -7.282 0.967 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.869 -8.507 0.568 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.247 -6.043 0.190 1.00 0.00 C ATOM 0 H VAL A 77 -4.440 -5.709 1.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.337 -7.744 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.524 -7.091 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.810 -8.295 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.158 -9.357 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.050 -8.742 -0.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.180 -5.882 0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.440 -6.190 -0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.801 -5.173 0.542 1.00 0.00 H new ATOM 1173 N GLU A 78 -5.027 -8.540 2.801 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.518 -9.612 3.650 1.00 0.00 C ATOM 1175 C GLU A 78 -6.961 -9.961 3.284 1.00 0.00 C ATOM 1176 O GLU A 78 -7.392 -11.100 3.460 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.402 -9.237 5.130 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.949 -9.309 5.602 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.787 -10.334 6.725 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -3.936 -11.538 6.420 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -3.518 -9.893 7.863 1.00 0.00 O ATOM 0 H GLU A 78 -4.972 -7.628 3.255 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.899 -10.493 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.789 -8.230 5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.016 -9.910 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.304 -9.576 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.627 -8.328 5.951 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.668 -8.960 2.781 1.00 0.00 N ATOM 1189 CA GLN A 79 -9.055 -9.147 2.388 1.00 0.00 C ATOM 1190 C GLN A 79 -9.141 -9.526 0.909 1.00 0.00 C ATOM 1191 O GLN A 79 -10.170 -9.313 0.268 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.882 -7.893 2.682 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.370 -8.232 2.790 1.00 0.00 C ATOM 1194 CD GLN A 79 -12.023 -7.471 3.946 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.251 -7.999 5.021 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -12.310 -6.202 3.665 1.00 0.00 N ATOM 0 H GLN A 79 -7.307 -8.017 2.636 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.472 -9.964 2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.541 -7.437 3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.729 -7.158 1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.872 -7.982 1.856 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.492 -9.305 2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.092 -5.822 2.744 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.747 -5.610 4.371 1.00 0.00 H new ATOM 1205 N ALA A 80 -8.047 -10.081 0.408 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.986 -10.491 -0.984 1.00 0.00 C ATOM 1207 C ALA A 80 -7.657 -11.984 -1.058 1.00 0.00 C ATOM 1208 O ALA A 80 -8.299 -12.729 -1.796 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.960 -9.631 -1.726 1.00 0.00 C ATOM 0 H ALA A 80 -7.196 -10.256 0.942 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.950 -10.341 -1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.914 -9.939 -2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.254 -8.583 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.979 -9.758 -1.267 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.656 -12.375 -0.282 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.234 -13.765 -0.251 1.00 0.00 C ATOM 1217 C GLN A 81 -7.446 -14.683 -0.079 1.00 0.00 C ATOM 1218 O GLN A 81 -7.303 -15.836 0.329 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.205 -14.000 0.857 1.00 0.00 C ATOM 1220 CG GLN A 81 -4.008 -13.060 0.703 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.487 -13.068 -0.736 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -4.118 -12.221 -1.545 1.00 0.00 O flip ATOM 1223 NE2 GLN A 81 -2.573 -13.793 -1.088 1.00 0.00 N flip ATOM 0 H GLN A 81 -6.126 -11.754 0.329 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.756 -14.002 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.671 -13.844 1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.865 -15.035 0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.298 -12.047 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.212 -13.364 1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.132 -14.420 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.249 -13.772 -2.055 1.00 0.00 H new