USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0808 X(o=-0.081,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -145:sc= 0.245 USER MOD Single : A 43 THR OG1 : rot 39:sc= 0.00601 USER MOD Single : A 47 ASN : amide:sc= -0.395 X(o=-0.4,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 70:sc= -0.39! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 73 THR OG1 : rot 43:sc= 0.418 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0788 K(o=-0.079,f=-2!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= -0.0061 (180deg=-0.103) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 22 1.501 -1.845 -3.702 1.00 0.00 N ATOM 20 CA ALA A 22 1.232 -3.037 -4.515 1.00 0.00 C ATOM 21 C ALA A 22 1.967 -2.901 -5.861 1.00 0.00 C ATOM 22 O ALA A 22 1.853 -1.860 -6.518 1.00 0.00 O ATOM 23 CB ALA A 22 -0.287 -3.188 -4.727 1.00 0.00 C ATOM 0 HA ALA A 22 1.594 -3.930 -4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.484 -4.074 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.781 -3.291 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.672 -2.307 -5.240 1.00 0.00 H new ATOM 29 N ALA A 23 2.711 -3.948 -6.260 1.00 0.00 N ATOM 30 CA ALA A 23 3.557 -3.928 -7.473 1.00 0.00 C ATOM 31 C ALA A 23 2.711 -3.789 -8.751 1.00 0.00 C ATOM 32 O ALA A 23 1.679 -4.447 -8.891 1.00 0.00 O ATOM 33 CB ALA A 23 4.428 -5.191 -7.538 1.00 0.00 C ATOM 0 H ALA A 23 2.745 -4.832 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 23 4.206 -3.055 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.045 -5.162 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.070 -5.236 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.788 -6.073 -7.566 1.00 0.00 H new ATOM 39 N THR A 24 3.161 -2.928 -9.671 1.00 0.00 N ATOM 40 CA THR A 24 2.444 -2.643 -10.918 1.00 0.00 C ATOM 41 C THR A 24 2.453 -3.875 -11.848 1.00 0.00 C ATOM 42 O THR A 24 3.505 -4.483 -12.060 1.00 0.00 O ATOM 43 CB THR A 24 3.092 -1.421 -11.642 1.00 0.00 C ATOM 44 OG1 THR A 24 3.219 -0.331 -10.712 1.00 0.00 O ATOM 45 CG2 THR A 24 2.263 -0.959 -12.855 1.00 0.00 C ATOM 0 H THR A 24 4.033 -2.409 -9.571 1.00 0.00 H new ATOM 0 HA THR A 24 1.409 -2.404 -10.673 1.00 0.00 H new ATOM 0 HB THR A 24 4.071 -1.732 -12.007 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.627 0.438 -11.163 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.752 -0.107 -13.327 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.183 -1.775 -13.573 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.266 -0.668 -12.525 1.00 0.00 H new ATOM 53 N GLU A 25 1.272 -4.254 -12.368 1.00 0.00 N ATOM 54 CA GLU A 25 1.157 -5.359 -13.327 1.00 0.00 C ATOM 55 C GLU A 25 1.784 -4.920 -14.668 1.00 0.00 C ATOM 56 O GLU A 25 1.320 -3.956 -15.291 1.00 0.00 O ATOM 57 CB GLU A 25 -0.323 -5.768 -13.510 1.00 0.00 C ATOM 58 CG GLU A 25 -0.541 -7.023 -14.376 1.00 0.00 C ATOM 59 CD GLU A 25 -2.025 -7.351 -14.587 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.660 -6.705 -15.446 1.00 0.00 O ATOM 61 OE2 GLU A 25 -2.566 -8.235 -13.889 1.00 0.00 O ATOM 0 H GLU A 25 0.384 -3.808 -12.137 1.00 0.00 H new ATOM 0 HA GLU A 25 1.691 -6.232 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.762 -5.940 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.863 -4.935 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.065 -6.877 -15.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.049 -7.874 -13.904 1.00 0.00 H new ATOM 68 N LEU A 26 2.835 -5.634 -15.084 1.00 0.00 N ATOM 69 CA LEU A 26 3.671 -5.286 -16.239 1.00 0.00 C ATOM 70 C LEU A 26 3.145 -6.002 -17.495 1.00 0.00 C ATOM 71 O LEU A 26 2.744 -7.172 -17.424 1.00 0.00 O ATOM 72 CB LEU A 26 5.150 -5.675 -15.951 1.00 0.00 C ATOM 73 CG LEU A 26 6.217 -5.152 -16.960 1.00 0.00 C ATOM 74 CD1 LEU A 26 6.211 -3.603 -17.035 1.00 0.00 C ATOM 75 CD2 LEU A 26 7.625 -5.691 -16.603 1.00 0.00 C ATOM 0 H LEU A 26 3.135 -6.490 -14.617 1.00 0.00 H new ATOM 0 HA LEU A 26 3.627 -4.211 -16.415 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.412 -5.309 -14.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.216 -6.762 -15.918 1.00 0.00 H new ATOM 0 HG LEU A 26 5.954 -5.528 -17.949 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.966 -3.270 -17.747 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.229 -3.258 -17.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.433 -3.190 -16.051 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.352 -5.312 -17.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.898 -5.360 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.616 -6.780 -16.635 1.00 0.00 H new ATOM 87 N THR A 27 3.149 -5.284 -18.634 1.00 0.00 N ATOM 88 CA THR A 27 2.658 -5.800 -19.923 1.00 0.00 C ATOM 89 C THR A 27 3.638 -6.863 -20.481 1.00 0.00 C ATOM 90 O THR A 27 4.841 -6.747 -20.238 1.00 0.00 O ATOM 91 CB THR A 27 2.477 -4.632 -20.956 1.00 0.00 C ATOM 92 OG1 THR A 27 3.708 -3.899 -21.084 1.00 0.00 O ATOM 93 CG2 THR A 27 1.335 -3.674 -20.560 1.00 0.00 C ATOM 0 H THR A 27 3.495 -4.326 -18.685 1.00 0.00 H new ATOM 0 HA THR A 27 1.687 -6.267 -19.760 1.00 0.00 H new ATOM 0 HB THR A 27 2.210 -5.080 -21.913 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.590 -3.172 -21.731 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.249 -2.883 -21.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.397 -4.227 -20.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.551 -3.234 -19.587 1.00 0.00 H new ATOM 101 N PRO A 28 3.137 -7.910 -21.236 1.00 0.00 N ATOM 102 CA PRO A 28 3.985 -9.017 -21.773 1.00 0.00 C ATOM 103 C PRO A 28 5.173 -8.536 -22.638 1.00 0.00 C ATOM 104 O PRO A 28 6.236 -9.159 -22.623 1.00 0.00 O ATOM 105 CB PRO A 28 2.985 -9.880 -22.599 1.00 0.00 C ATOM 106 CG PRO A 28 1.804 -8.986 -22.833 1.00 0.00 C ATOM 107 CD PRO A 28 1.708 -8.119 -21.606 1.00 0.00 C ATOM 0 HA PRO A 28 4.472 -9.566 -20.967 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.428 -10.204 -23.541 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.697 -10.780 -22.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.940 -8.383 -23.730 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.893 -9.568 -22.975 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.202 -7.176 -21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.151 -8.609 -20.807 1.00 0.00 H new ATOM 115 N GLU A 29 4.982 -7.428 -23.378 1.00 0.00 N ATOM 116 CA GLU A 29 6.031 -6.848 -24.247 1.00 0.00 C ATOM 117 C GLU A 29 7.166 -6.226 -23.405 1.00 0.00 C ATOM 118 O GLU A 29 8.349 -6.472 -23.662 1.00 0.00 O ATOM 119 CB GLU A 29 5.416 -5.795 -25.199 1.00 0.00 C ATOM 120 CG GLU A 29 4.410 -6.371 -26.219 1.00 0.00 C ATOM 121 CD GLU A 29 3.833 -5.295 -27.153 1.00 0.00 C ATOM 122 OE1 GLU A 29 2.857 -4.614 -26.763 1.00 0.00 O ATOM 123 OE2 GLU A 29 4.362 -5.106 -28.272 1.00 0.00 O ATOM 0 H GLU A 29 4.103 -6.910 -23.393 1.00 0.00 H new ATOM 0 HA GLU A 29 6.461 -7.650 -24.846 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.915 -5.032 -24.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.221 -5.298 -25.741 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.903 -7.139 -26.816 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.594 -6.858 -25.684 1.00 0.00 H new ATOM 130 N GLN A 30 6.779 -5.436 -22.388 1.00 0.00 N ATOM 131 CA GLN A 30 7.729 -4.776 -21.470 1.00 0.00 C ATOM 132 C GLN A 30 8.363 -5.785 -20.494 1.00 0.00 C ATOM 133 O GLN A 30 9.451 -5.550 -19.969 1.00 0.00 O ATOM 134 CB GLN A 30 7.034 -3.627 -20.704 1.00 0.00 C ATOM 135 CG GLN A 30 6.616 -2.431 -21.578 1.00 0.00 C ATOM 136 CD GLN A 30 7.806 -1.718 -22.232 1.00 0.00 C ATOM 137 OE1 GLN A 30 8.215 -2.047 -23.345 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.402 -0.768 -21.527 1.00 0.00 N ATOM 0 H GLN A 30 5.801 -5.236 -22.178 1.00 0.00 H new ATOM 0 HA GLN A 30 8.534 -4.352 -22.070 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.148 -4.023 -20.207 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.706 -3.271 -19.923 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.936 -2.778 -22.356 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.064 -1.717 -20.966 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.043 -0.514 -20.607 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.220 -0.290 -21.904 1.00 0.00 H new ATOM 147 N ALA A 31 7.668 -6.908 -20.270 1.00 0.00 N ATOM 148 CA ALA A 31 8.162 -8.029 -19.454 1.00 0.00 C ATOM 149 C ALA A 31 9.220 -8.827 -20.228 1.00 0.00 C ATOM 150 O ALA A 31 10.196 -9.309 -19.648 1.00 0.00 O ATOM 151 CB ALA A 31 6.991 -8.928 -19.048 1.00 0.00 C ATOM 0 H ALA A 31 6.736 -7.067 -20.654 1.00 0.00 H new ATOM 0 HA ALA A 31 8.630 -7.636 -18.551 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.361 -9.757 -18.444 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.272 -8.349 -18.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.505 -9.319 -19.942 1.00 0.00 H new ATOM 157 N ALA A 32 9.003 -8.939 -21.554 1.00 0.00 N ATOM 158 CA ALA A 32 9.946 -9.583 -22.484 1.00 0.00 C ATOM 159 C ALA A 32 11.175 -8.682 -22.720 1.00 0.00 C ATOM 160 O ALA A 32 12.263 -9.178 -23.015 1.00 0.00 O ATOM 161 CB ALA A 32 9.249 -9.903 -23.816 1.00 0.00 C ATOM 0 H ALA A 32 8.163 -8.582 -22.010 1.00 0.00 H new ATOM 0 HA ALA A 32 10.287 -10.517 -22.038 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.959 -10.379 -24.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.412 -10.577 -23.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.882 -8.980 -24.265 1.00 0.00 H new ATOM 167 N ALA A 33 10.969 -7.353 -22.597 1.00 0.00 N ATOM 168 CA ALA A 33 12.043 -6.350 -22.704 1.00 0.00 C ATOM 169 C ALA A 33 12.948 -6.397 -21.457 1.00 0.00 C ATOM 170 O ALA A 33 14.178 -6.453 -21.572 1.00 0.00 O ATOM 171 CB ALA A 33 11.445 -4.944 -22.897 1.00 0.00 C ATOM 0 H ALA A 33 10.050 -6.948 -22.420 1.00 0.00 H new ATOM 0 HA ALA A 33 12.654 -6.583 -23.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.250 -4.214 -22.974 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.848 -4.924 -23.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.812 -4.697 -22.044 1.00 0.00 H new ATOM 177 N LEU A 34 12.316 -6.386 -20.266 1.00 0.00 N ATOM 178 CA LEU A 34 13.022 -6.400 -18.971 1.00 0.00 C ATOM 179 C LEU A 34 13.431 -7.829 -18.571 1.00 0.00 C ATOM 180 O LEU A 34 13.026 -8.810 -19.200 1.00 0.00 O ATOM 181 CB LEU A 34 12.141 -5.755 -17.864 1.00 0.00 C ATOM 182 CG LEU A 34 11.782 -4.245 -18.065 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.890 -3.726 -16.911 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.062 -3.380 -18.234 1.00 0.00 C ATOM 0 H LEU A 34 11.300 -6.367 -20.176 1.00 0.00 H new ATOM 0 HA LEU A 34 13.933 -5.811 -19.081 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.213 -6.322 -17.790 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.656 -5.861 -16.909 1.00 0.00 H new ATOM 0 HG LEU A 34 11.207 -4.157 -18.987 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.656 -2.674 -17.077 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.966 -4.303 -16.878 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.419 -3.835 -15.965 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.780 -2.336 -18.372 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.684 -3.473 -17.344 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.621 -3.723 -19.105 1.00 0.00 H new ATOM 196 N LYS A 35 14.249 -7.925 -17.511 1.00 0.00 N ATOM 197 CA LYS A 35 14.763 -9.202 -16.994 1.00 0.00 C ATOM 198 C LYS A 35 14.339 -9.375 -15.524 1.00 0.00 C ATOM 199 O LYS A 35 14.628 -8.502 -14.704 1.00 0.00 O ATOM 200 CB LYS A 35 16.307 -9.250 -17.118 1.00 0.00 C ATOM 201 CG LYS A 35 16.834 -9.229 -18.574 1.00 0.00 C ATOM 202 CD LYS A 35 16.400 -10.462 -19.413 1.00 0.00 C ATOM 203 CE LYS A 35 16.959 -11.785 -18.857 1.00 0.00 C ATOM 204 NZ LYS A 35 16.693 -12.938 -19.755 1.00 0.00 N ATOM 0 H LYS A 35 14.574 -7.113 -16.986 1.00 0.00 H new ATOM 0 HA LYS A 35 14.345 -10.018 -17.583 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.729 -8.401 -16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.671 -10.152 -16.626 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.480 -8.323 -19.066 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.923 -9.178 -18.556 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.312 -10.514 -19.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.737 -10.333 -20.442 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.034 -11.687 -18.707 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.517 -11.980 -17.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.089 -13.803 -19.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.667 -13.052 -19.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.137 -12.767 -20.680 1.00 0.00 H new ATOM 218 N PRO A 36 13.627 -10.490 -15.175 1.00 0.00 N ATOM 219 CA PRO A 36 13.218 -10.781 -13.781 1.00 0.00 C ATOM 220 C PRO A 36 14.387 -11.341 -12.931 1.00 0.00 C ATOM 221 O PRO A 36 15.122 -12.235 -13.377 1.00 0.00 O ATOM 222 CB PRO A 36 12.094 -11.814 -13.968 1.00 0.00 C ATOM 223 CG PRO A 36 12.467 -12.557 -15.222 1.00 0.00 C ATOM 224 CD PRO A 36 13.156 -11.541 -16.119 1.00 0.00 C ATOM 0 HA PRO A 36 12.900 -9.893 -13.235 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.028 -12.487 -13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.123 -11.329 -14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.129 -13.393 -14.998 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.584 -12.971 -15.708 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.986 -11.989 -16.665 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.470 -11.133 -16.861 1.00 0.00 H new ATOM 232 N TYR A 37 14.551 -10.791 -11.718 1.00 0.00 N ATOM 233 CA TYR A 37 15.600 -11.224 -10.768 1.00 0.00 C ATOM 234 C TYR A 37 15.141 -12.485 -10.006 1.00 0.00 C ATOM 235 O TYR A 37 15.945 -13.374 -9.698 1.00 0.00 O ATOM 236 CB TYR A 37 15.956 -10.075 -9.769 1.00 0.00 C ATOM 237 CG TYR A 37 14.880 -9.751 -8.700 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.645 -9.206 -9.061 1.00 0.00 C ATOM 239 CD2 TYR A 37 15.104 -9.992 -7.336 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.687 -8.916 -8.116 1.00 0.00 C ATOM 241 CE2 TYR A 37 14.138 -9.700 -6.388 1.00 0.00 C ATOM 242 CZ TYR A 37 12.936 -9.162 -6.787 1.00 0.00 C ATOM 243 OH TYR A 37 11.975 -8.864 -5.856 1.00 0.00 O ATOM 0 H TYR A 37 13.964 -10.035 -11.364 1.00 0.00 H new ATOM 0 HA TYR A 37 16.499 -11.467 -11.335 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.882 -10.338 -9.257 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.155 -9.170 -10.342 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.438 -9.008 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 37 16.047 -10.413 -7.020 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.740 -8.495 -8.419 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.327 -9.893 -5.342 1.00 0.00 H new ATOM 0 HH TYR A 37 12.404 -8.561 -5.029 1.00 0.00 H new ATOM 253 N ASP A 38 13.831 -12.542 -9.736 1.00 0.00 N ATOM 254 CA ASP A 38 13.188 -13.613 -8.971 1.00 0.00 C ATOM 255 C ASP A 38 11.814 -13.908 -9.604 1.00 0.00 C ATOM 256 O ASP A 38 11.385 -13.206 -10.534 1.00 0.00 O ATOM 257 CB ASP A 38 13.067 -13.194 -7.467 1.00 0.00 C ATOM 258 CG ASP A 38 12.583 -14.322 -6.539 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.327 -15.315 -6.383 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.449 -14.255 -6.015 1.00 0.00 O ATOM 0 H ASP A 38 13.175 -11.827 -10.051 1.00 0.00 H new ATOM 0 HA ASP A 38 13.786 -14.524 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.039 -12.843 -7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.378 -12.353 -7.389 1.00 0.00 H new ATOM 265 N ARG A 39 11.166 -14.971 -9.134 1.00 0.00 N ATOM 266 CA ARG A 39 9.840 -15.395 -9.583 1.00 0.00 C ATOM 267 C ARG A 39 9.055 -15.875 -8.361 1.00 0.00 C ATOM 268 O ARG A 39 9.562 -16.686 -7.581 1.00 0.00 O ATOM 269 CB ARG A 39 9.989 -16.546 -10.609 1.00 0.00 C ATOM 270 CG ARG A 39 8.657 -17.127 -11.155 1.00 0.00 C ATOM 271 CD ARG A 39 8.829 -18.549 -11.717 1.00 0.00 C ATOM 272 NE ARG A 39 9.275 -19.474 -10.647 1.00 0.00 N ATOM 273 CZ ARG A 39 8.774 -20.685 -10.388 1.00 0.00 C ATOM 274 NH1 ARG A 39 7.857 -21.229 -11.169 1.00 0.00 N ATOM 275 NH2 ARG A 39 9.203 -21.353 -9.336 1.00 0.00 N ATOM 0 H ARG A 39 11.557 -15.577 -8.413 1.00 0.00 H new ATOM 0 HA ARG A 39 9.313 -14.569 -10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.581 -16.186 -11.451 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.555 -17.354 -10.144 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.915 -17.141 -10.357 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.271 -16.473 -11.937 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.886 -18.897 -12.139 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.557 -18.541 -12.528 1.00 0.00 H new ATOM 0 HE ARG A 39 10.039 -19.154 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.519 -20.723 -11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.488 -22.155 -10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.912 -20.945 -8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.826 -22.278 -9.131 1.00 0.00 H new ATOM 289 N ILE A 40 7.840 -15.352 -8.175 1.00 0.00 N ATOM 290 CA ILE A 40 6.936 -15.783 -7.095 1.00 0.00 C ATOM 291 C ILE A 40 5.827 -16.697 -7.651 1.00 0.00 C ATOM 292 O ILE A 40 5.565 -16.724 -8.858 1.00 0.00 O ATOM 293 CB ILE A 40 6.310 -14.552 -6.339 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.414 -13.688 -7.284 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.427 -13.690 -5.694 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.811 -12.464 -6.625 1.00 0.00 C ATOM 0 H ILE A 40 7.451 -14.618 -8.767 1.00 0.00 H new ATOM 0 HA ILE A 40 7.527 -16.348 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 40 5.667 -14.938 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.010 -13.369 -8.139 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.608 -14.311 -7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.979 -12.843 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.989 -14.295 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.099 -13.325 -6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.205 -11.922 -7.350 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.185 -12.773 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.609 -11.816 -6.262 1.00 0.00 H new ATOM 308 N VAL A 41 5.192 -17.442 -6.745 1.00 0.00 N ATOM 309 CA VAL A 41 4.120 -18.392 -7.069 1.00 0.00 C ATOM 310 C VAL A 41 3.130 -18.473 -5.886 1.00 0.00 C ATOM 311 O VAL A 41 3.540 -18.566 -4.721 1.00 0.00 O ATOM 312 CB VAL A 41 4.710 -19.817 -7.445 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.811 -20.269 -6.453 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.590 -20.884 -7.566 1.00 0.00 C ATOM 0 H VAL A 41 5.409 -17.404 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 41 3.580 -18.037 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 41 5.179 -19.717 -8.424 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.187 -21.249 -6.748 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.629 -19.548 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.393 -20.328 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.031 -21.847 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.064 -20.969 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.887 -20.587 -8.344 1.00 0.00 H new ATOM 324 N ILE A 42 1.824 -18.383 -6.208 1.00 0.00 N ATOM 325 CA ILE A 42 0.711 -18.459 -5.235 1.00 0.00 C ATOM 326 C ILE A 42 -0.365 -19.440 -5.756 1.00 0.00 C ATOM 327 O ILE A 42 -0.347 -19.828 -6.930 1.00 0.00 O ATOM 328 CB ILE A 42 0.044 -17.043 -4.974 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.536 -16.446 -6.301 1.00 0.00 C ATOM 330 CG2 ILE A 42 1.048 -16.064 -4.293 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.335 -15.171 -6.133 1.00 0.00 C ATOM 0 H ILE A 42 1.505 -18.253 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 42 1.126 -18.811 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.789 -17.183 -4.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.290 -16.252 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.172 -17.196 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.563 -15.102 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.369 -16.478 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.916 -15.926 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.694 -14.836 -7.106 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.185 -15.358 -5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.702 -14.400 -5.695 1.00 0.00 H new ATOM 343 N THR A 43 -1.298 -19.824 -4.862 1.00 0.00 N ATOM 344 CA THR A 43 -2.450 -20.700 -5.179 1.00 0.00 C ATOM 345 C THR A 43 -3.734 -20.108 -4.568 1.00 0.00 C ATOM 346 O THR A 43 -3.826 -19.936 -3.347 1.00 0.00 O ATOM 347 CB THR A 43 -2.235 -22.171 -4.657 1.00 0.00 C ATOM 348 OG1 THR A 43 -1.683 -22.165 -3.323 1.00 0.00 O ATOM 349 CG2 THR A 43 -1.326 -22.996 -5.588 1.00 0.00 C ATOM 0 H THR A 43 -1.275 -19.532 -3.885 1.00 0.00 H new ATOM 0 HA THR A 43 -2.543 -20.748 -6.264 1.00 0.00 H new ATOM 0 HB THR A 43 -3.217 -22.644 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.100 -21.449 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.209 -24.002 -5.185 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.776 -23.053 -6.579 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.349 -22.518 -5.660 1.00 0.00 H new ATOM 357 N GLY A 44 -4.709 -19.777 -5.431 1.00 0.00 N ATOM 358 CA GLY A 44 -5.998 -19.224 -5.006 1.00 0.00 C ATOM 359 C GLY A 44 -7.101 -20.278 -5.025 1.00 0.00 C ATOM 360 O GLY A 44 -7.448 -20.776 -6.094 1.00 0.00 O ATOM 0 H GLY A 44 -4.622 -19.887 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.904 -18.815 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.273 -18.398 -5.662 1.00 0.00 H new ATOM 364 N ARG A 45 -7.653 -20.616 -3.841 1.00 0.00 N ATOM 365 CA ARG A 45 -8.731 -21.613 -3.706 1.00 0.00 C ATOM 366 C ARG A 45 -10.080 -21.005 -4.160 1.00 0.00 C ATOM 367 O ARG A 45 -10.762 -20.323 -3.381 1.00 0.00 O ATOM 368 CB ARG A 45 -8.814 -22.142 -2.242 1.00 0.00 C ATOM 369 CG ARG A 45 -9.904 -23.220 -1.992 1.00 0.00 C ATOM 370 CD ARG A 45 -9.646 -24.549 -2.733 1.00 0.00 C ATOM 371 NE ARG A 45 -8.399 -25.212 -2.297 1.00 0.00 N ATOM 372 CZ ARG A 45 -8.051 -26.481 -2.571 1.00 0.00 C ATOM 373 NH1 ARG A 45 -8.852 -27.289 -3.247 1.00 0.00 N ATOM 374 NH2 ARG A 45 -6.879 -26.929 -2.175 1.00 0.00 N ATOM 0 H ARG A 45 -7.363 -20.205 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.505 -22.462 -4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.845 -22.557 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.000 -21.298 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.968 -23.418 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.871 -22.824 -2.301 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.487 -25.222 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.596 -24.359 -3.805 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.747 -24.659 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.758 -26.953 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.563 -28.248 -3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.244 -26.315 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.605 -27.890 -2.378 1.00 0.00 H new ATOM 388 N PHE A 46 -10.379 -21.191 -5.463 1.00 0.00 N ATOM 389 CA PHE A 46 -11.640 -20.761 -6.126 1.00 0.00 C ATOM 390 C PHE A 46 -11.780 -19.209 -6.164 1.00 0.00 C ATOM 391 O PHE A 46 -12.827 -18.670 -6.528 1.00 0.00 O ATOM 392 CB PHE A 46 -12.874 -21.467 -5.468 1.00 0.00 C ATOM 393 CG PHE A 46 -14.198 -21.298 -6.231 1.00 0.00 C ATOM 394 CD1 PHE A 46 -14.380 -21.894 -7.480 1.00 0.00 C ATOM 395 CD2 PHE A 46 -15.243 -20.524 -5.716 1.00 0.00 C ATOM 396 CE1 PHE A 46 -15.559 -21.727 -8.183 1.00 0.00 C ATOM 397 CE2 PHE A 46 -16.419 -20.355 -6.424 1.00 0.00 C ATOM 398 CZ PHE A 46 -16.577 -20.959 -7.655 1.00 0.00 C ATOM 0 H PHE A 46 -9.737 -21.656 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.603 -21.078 -7.168 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.658 -22.531 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -13.001 -21.078 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -13.588 -22.494 -7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.130 -20.051 -4.751 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -15.683 -22.198 -9.147 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -17.214 -19.750 -6.013 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.497 -20.831 -8.205 1.00 0.00 H new ATOM 408 N ASN A 47 -10.681 -18.501 -5.851 1.00 0.00 N ATOM 409 CA ASN A 47 -10.662 -17.027 -5.724 1.00 0.00 C ATOM 410 C ASN A 47 -10.764 -16.351 -7.097 1.00 0.00 C ATOM 411 O ASN A 47 -10.406 -16.946 -8.114 1.00 0.00 O ATOM 412 CB ASN A 47 -9.371 -16.582 -4.990 1.00 0.00 C ATOM 413 CG ASN A 47 -9.234 -17.163 -3.572 1.00 0.00 C ATOM 414 OD1 ASN A 47 -8.128 -17.454 -3.113 1.00 0.00 O ATOM 415 ND2 ASN A 47 -10.343 -17.308 -2.843 1.00 0.00 N ATOM 0 H ASN A 47 -9.774 -18.934 -5.677 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.529 -16.718 -5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.506 -16.882 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -9.354 -15.494 -4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.283 -17.665 -1.889 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.250 -17.062 -3.240 1.00 0.00 H new ATOM 422 N ALA A 48 -11.269 -15.113 -7.118 1.00 0.00 N ATOM 423 CA ALA A 48 -11.428 -14.344 -8.360 1.00 0.00 C ATOM 424 C ALA A 48 -10.067 -13.843 -8.869 1.00 0.00 C ATOM 425 O ALA A 48 -9.083 -13.812 -8.113 1.00 0.00 O ATOM 426 CB ALA A 48 -12.410 -13.186 -8.145 1.00 0.00 C ATOM 0 H ALA A 48 -11.578 -14.617 -6.282 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.842 -14.998 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.519 -12.624 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.380 -13.582 -7.845 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -12.030 -12.527 -7.364 1.00 0.00 H new ATOM 432 N ILE A 49 -10.021 -13.453 -10.162 1.00 0.00 N ATOM 433 CA ILE A 49 -8.794 -12.941 -10.806 1.00 0.00 C ATOM 434 C ILE A 49 -8.292 -11.670 -10.089 1.00 0.00 C ATOM 435 O ILE A 49 -7.099 -11.455 -10.000 1.00 0.00 O ATOM 436 CB ILE A 49 -8.996 -12.674 -12.350 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.662 -12.234 -13.060 1.00 0.00 C ATOM 438 CG2 ILE A 49 -10.115 -11.636 -12.599 1.00 0.00 C ATOM 439 CD1 ILE A 49 -6.525 -13.242 -13.007 1.00 0.00 C ATOM 0 H ILE A 49 -10.829 -13.484 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.034 -13.717 -10.714 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.301 -13.622 -12.793 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.883 -12.017 -14.105 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.320 -11.304 -12.606 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.229 -11.474 -13.671 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.053 -12.006 -12.186 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.852 -10.695 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.656 -12.838 -13.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.266 -13.444 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.837 -14.168 -13.490 1.00 0.00 H new ATOM 451 N GLY A 50 -9.228 -10.875 -9.539 1.00 0.00 N ATOM 452 CA GLY A 50 -8.892 -9.694 -8.739 1.00 0.00 C ATOM 453 C GLY A 50 -8.143 -10.040 -7.455 1.00 0.00 C ATOM 454 O GLY A 50 -7.167 -9.375 -7.117 1.00 0.00 O ATOM 0 H GLY A 50 -10.230 -11.036 -9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.283 -9.017 -9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.808 -9.160 -8.487 1.00 0.00 H new ATOM 458 N ASP A 51 -8.603 -11.108 -6.756 1.00 0.00 N ATOM 459 CA ASP A 51 -7.950 -11.621 -5.522 1.00 0.00 C ATOM 460 C ASP A 51 -6.532 -12.113 -5.842 1.00 0.00 C ATOM 461 O ASP A 51 -5.580 -11.834 -5.106 1.00 0.00 O ATOM 462 CB ASP A 51 -8.747 -12.800 -4.887 1.00 0.00 C ATOM 463 CG ASP A 51 -10.148 -12.402 -4.404 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.254 -11.711 -3.368 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.153 -12.770 -5.056 1.00 0.00 O ATOM 0 H ASP A 51 -9.432 -11.636 -7.029 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.920 -10.795 -4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.838 -13.602 -5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.181 -13.199 -4.045 1.00 0.00 H new ATOM 470 N ALA A 52 -6.426 -12.837 -6.976 1.00 0.00 N ATOM 471 CA ALA A 52 -5.168 -13.425 -7.464 1.00 0.00 C ATOM 472 C ALA A 52 -4.143 -12.334 -7.795 1.00 0.00 C ATOM 473 O ALA A 52 -3.009 -12.386 -7.322 1.00 0.00 O ATOM 474 CB ALA A 52 -5.430 -14.299 -8.698 1.00 0.00 C ATOM 0 H ALA A 52 -7.223 -13.030 -7.583 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.757 -14.049 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.490 -14.727 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.119 -15.102 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.867 -13.690 -9.489 1.00 0.00 H new ATOM 480 N VAL A 53 -4.576 -11.345 -8.601 1.00 0.00 N ATOM 481 CA VAL A 53 -3.739 -10.210 -9.023 1.00 0.00 C ATOM 482 C VAL A 53 -3.334 -9.359 -7.804 1.00 0.00 C ATOM 483 O VAL A 53 -2.203 -8.921 -7.728 1.00 0.00 O ATOM 484 CB VAL A 53 -4.431 -9.323 -10.139 1.00 0.00 C ATOM 485 CG1 VAL A 53 -3.613 -8.038 -10.458 1.00 0.00 C ATOM 486 CG2 VAL A 53 -4.656 -10.149 -11.434 1.00 0.00 C ATOM 0 H VAL A 53 -5.523 -11.313 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.838 -10.624 -9.476 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.397 -9.009 -9.743 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.126 -7.462 -11.228 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.518 -7.434 -9.556 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.621 -8.317 -10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.132 -9.522 -12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.697 -10.504 -11.811 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.298 -11.002 -11.214 1.00 0.00 H new ATOM 496 N SER A 54 -4.249 -9.198 -6.834 1.00 0.00 N ATOM 497 CA SER A 54 -3.997 -8.422 -5.596 1.00 0.00 C ATOM 498 C SER A 54 -2.974 -9.142 -4.682 1.00 0.00 C ATOM 499 O SER A 54 -2.143 -8.494 -4.045 1.00 0.00 O ATOM 500 CB SER A 54 -5.325 -8.181 -4.836 1.00 0.00 C ATOM 501 OG SER A 54 -5.129 -7.464 -3.620 1.00 0.00 O ATOM 0 H SER A 54 -5.185 -9.600 -6.880 1.00 0.00 H new ATOM 0 HA SER A 54 -3.573 -7.459 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.012 -7.627 -5.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.796 -9.140 -4.618 1.00 0.00 H new ATOM 0 HG SER A 54 -5.992 -7.333 -3.175 1.00 0.00 H new ATOM 507 N ALA A 55 -3.042 -10.489 -4.649 1.00 0.00 N ATOM 508 CA ALA A 55 -2.171 -11.329 -3.793 1.00 0.00 C ATOM 509 C ALA A 55 -0.747 -11.412 -4.360 1.00 0.00 C ATOM 510 O ALA A 55 0.235 -11.362 -3.613 1.00 0.00 O ATOM 511 CB ALA A 55 -2.777 -12.737 -3.639 1.00 0.00 C ATOM 0 H ALA A 55 -3.700 -11.027 -5.213 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.109 -10.863 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.129 -13.345 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.762 -12.661 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.869 -13.203 -4.620 1.00 0.00 H new ATOM 517 N VAL A 56 -0.654 -11.533 -5.694 1.00 0.00 N ATOM 518 CA VAL A 56 0.635 -11.626 -6.412 1.00 0.00 C ATOM 519 C VAL A 56 1.282 -10.220 -6.536 1.00 0.00 C ATOM 520 O VAL A 56 2.504 -10.100 -6.592 1.00 0.00 O ATOM 521 CB VAL A 56 0.454 -12.321 -7.822 1.00 0.00 C ATOM 522 CG1 VAL A 56 -0.338 -11.447 -8.803 1.00 0.00 C ATOM 523 CG2 VAL A 56 1.797 -12.767 -8.436 1.00 0.00 C ATOM 0 H VAL A 56 -1.468 -11.569 -6.308 1.00 0.00 H new ATOM 0 HA VAL A 56 1.312 -12.255 -5.835 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.132 -13.221 -7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.436 -11.967 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.329 -11.248 -8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.187 -10.504 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.617 -13.238 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.442 -11.899 -8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.283 -13.480 -7.770 1.00 0.00 H new ATOM 533 N SER A 57 0.433 -9.167 -6.554 1.00 0.00 N ATOM 534 CA SER A 57 0.873 -7.750 -6.533 1.00 0.00 C ATOM 535 C SER A 57 1.455 -7.399 -5.158 1.00 0.00 C ATOM 536 O SER A 57 2.492 -6.735 -5.061 1.00 0.00 O ATOM 537 CB SER A 57 -0.311 -6.808 -6.858 1.00 0.00 C ATOM 538 OG SER A 57 0.078 -5.458 -6.880 1.00 0.00 O ATOM 0 H SER A 57 -0.581 -9.275 -6.584 1.00 0.00 H new ATOM 0 HA SER A 57 1.644 -7.617 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.734 -7.079 -7.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.098 -6.946 -6.116 1.00 0.00 H new ATOM 0 HG SER A 57 0.641 -5.293 -7.665 1.00 0.00 H new ATOM 544 N ARG A 58 0.755 -7.873 -4.101 1.00 0.00 N ATOM 545 CA ARG A 58 1.193 -7.738 -2.710 1.00 0.00 C ATOM 546 C ARG A 58 2.578 -8.377 -2.541 1.00 0.00 C ATOM 547 O ARG A 58 3.531 -7.711 -2.159 1.00 0.00 O ATOM 548 CB ARG A 58 0.190 -8.418 -1.727 1.00 0.00 C ATOM 549 CG ARG A 58 0.707 -8.511 -0.268 1.00 0.00 C ATOM 550 CD ARG A 58 -0.116 -9.443 0.633 1.00 0.00 C ATOM 551 NE ARG A 58 0.614 -9.721 1.888 1.00 0.00 N ATOM 552 CZ ARG A 58 0.092 -9.784 3.113 1.00 0.00 C ATOM 553 NH1 ARG A 58 -1.199 -9.560 3.319 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.883 -10.054 4.136 1.00 0.00 N ATOM 0 H ARG A 58 -0.135 -8.362 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 58 1.237 -6.675 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.747 -7.861 -1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.033 -9.422 -2.088 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.741 -8.857 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.711 -7.512 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.079 -8.985 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.322 -10.377 0.110 1.00 0.00 H new ATOM 0 HE ARG A 58 1.618 -9.881 1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.809 -9.335 2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.581 -9.612 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.879 -10.211 3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.498 -10.105 5.079 1.00 0.00 H new ATOM 568 N ARG A 59 2.653 -9.677 -2.884 1.00 0.00 N ATOM 569 CA ARG A 59 3.847 -10.509 -2.682 1.00 0.00 C ATOM 570 C ARG A 59 5.049 -9.953 -3.468 1.00 0.00 C ATOM 571 O ARG A 59 6.147 -9.894 -2.928 1.00 0.00 O ATOM 572 CB ARG A 59 3.551 -11.993 -3.042 1.00 0.00 C ATOM 573 CG ARG A 59 4.729 -12.988 -2.817 1.00 0.00 C ATOM 574 CD ARG A 59 5.340 -12.924 -1.398 1.00 0.00 C ATOM 575 NE ARG A 59 4.326 -13.049 -0.329 1.00 0.00 N ATOM 576 CZ ARG A 59 4.057 -14.156 0.381 1.00 0.00 C ATOM 577 NH1 ARG A 59 4.644 -15.312 0.095 1.00 0.00 N ATOM 578 NH2 ARG A 59 3.183 -14.099 1.371 1.00 0.00 N ATOM 0 H ARG A 59 1.877 -10.181 -3.313 1.00 0.00 H new ATOM 0 HA ARG A 59 4.114 -10.477 -1.626 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.698 -12.328 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.253 -12.042 -4.089 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.376 -14.002 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.511 -12.782 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.076 -13.720 -1.289 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.872 -11.980 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 59 3.780 -12.216 -0.111 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.311 -15.369 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.428 -16.143 0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 59 2.718 -13.218 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.973 -14.936 1.915 1.00 0.00 H new ATOM 592 N ALA A 60 4.808 -9.498 -4.708 1.00 0.00 N ATOM 593 CA ALA A 60 5.849 -8.869 -5.559 1.00 0.00 C ATOM 594 C ALA A 60 6.402 -7.582 -4.909 1.00 0.00 C ATOM 595 O ALA A 60 7.613 -7.338 -4.923 1.00 0.00 O ATOM 596 CB ALA A 60 5.271 -8.578 -6.948 1.00 0.00 C ATOM 0 H ALA A 60 3.892 -9.552 -5.154 1.00 0.00 H new ATOM 0 HA ALA A 60 6.683 -9.563 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.037 -8.116 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.942 -9.510 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.422 -7.900 -6.854 1.00 0.00 H new ATOM 602 N ASP A 61 5.497 -6.785 -4.314 1.00 0.00 N ATOM 603 CA ASP A 61 5.858 -5.549 -3.590 1.00 0.00 C ATOM 604 C ASP A 61 6.668 -5.890 -2.312 1.00 0.00 C ATOM 605 O ASP A 61 7.596 -5.166 -1.944 1.00 0.00 O ATOM 606 CB ASP A 61 4.568 -4.761 -3.243 1.00 0.00 C ATOM 607 CG ASP A 61 4.832 -3.426 -2.516 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.211 -2.439 -3.184 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.669 -3.354 -1.274 1.00 0.00 O ATOM 0 H ASP A 61 4.495 -6.978 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 61 6.488 -4.925 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.017 -4.561 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.929 -5.385 -2.618 1.00 0.00 H new ATOM 614 N GLU A 62 6.314 -7.026 -1.661 1.00 0.00 N ATOM 615 CA GLU A 62 6.995 -7.530 -0.442 1.00 0.00 C ATOM 616 C GLU A 62 8.402 -8.067 -0.781 1.00 0.00 C ATOM 617 O GLU A 62 9.307 -8.028 0.062 1.00 0.00 O ATOM 618 CB GLU A 62 6.140 -8.635 0.252 1.00 0.00 C ATOM 619 CG GLU A 62 4.753 -8.164 0.731 1.00 0.00 C ATOM 620 CD GLU A 62 3.936 -9.276 1.418 1.00 0.00 C ATOM 621 OE1 GLU A 62 3.611 -10.291 0.761 1.00 0.00 O ATOM 622 OE2 GLU A 62 3.601 -9.143 2.619 1.00 0.00 O ATOM 0 H GLU A 62 5.545 -7.621 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 62 7.106 -6.696 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.008 -9.464 -0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.694 -9.021 1.108 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.879 -7.333 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.191 -7.784 -0.122 1.00 0.00 H new ATOM 629 N GLU A 63 8.571 -8.570 -2.024 1.00 0.00 N ATOM 630 CA GLU A 63 9.881 -9.016 -2.547 1.00 0.00 C ATOM 631 C GLU A 63 10.780 -7.805 -2.875 1.00 0.00 C ATOM 632 O GLU A 63 11.991 -7.959 -3.069 1.00 0.00 O ATOM 633 CB GLU A 63 9.704 -9.902 -3.818 1.00 0.00 C ATOM 634 CG GLU A 63 8.880 -11.188 -3.621 1.00 0.00 C ATOM 635 CD GLU A 63 9.424 -12.133 -2.539 1.00 0.00 C ATOM 636 OE1 GLU A 63 10.378 -12.888 -2.815 1.00 0.00 O ATOM 637 OE2 GLU A 63 8.902 -12.131 -1.398 1.00 0.00 O ATOM 0 H GLU A 63 7.806 -8.678 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 63 10.361 -9.612 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.229 -9.302 -4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.692 -10.177 -4.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.857 -10.913 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.838 -11.726 -4.568 1.00 0.00 H new ATOM 644 N GLY A 64 10.174 -6.602 -2.934 1.00 0.00 N ATOM 645 CA GLY A 64 10.895 -5.365 -3.249 1.00 0.00 C ATOM 646 C GLY A 64 10.835 -5.021 -4.732 1.00 0.00 C ATOM 647 O GLY A 64 11.437 -4.034 -5.171 1.00 0.00 O ATOM 0 H GLY A 64 9.177 -6.467 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.472 -4.544 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.936 -5.467 -2.944 1.00 0.00 H new ATOM 651 N ALA A 65 10.101 -5.847 -5.504 1.00 0.00 N ATOM 652 CA ALA A 65 9.924 -5.669 -6.949 1.00 0.00 C ATOM 653 C ALA A 65 8.948 -4.518 -7.247 1.00 0.00 C ATOM 654 O ALA A 65 7.920 -4.370 -6.570 1.00 0.00 O ATOM 655 CB ALA A 65 9.427 -6.975 -7.587 1.00 0.00 C ATOM 0 H ALA A 65 9.612 -6.662 -5.133 1.00 0.00 H new ATOM 0 HA ALA A 65 10.890 -5.411 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.299 -6.830 -8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.156 -7.766 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.472 -7.257 -7.143 1.00 0.00 H new ATOM 661 N ALA A 66 9.297 -3.715 -8.264 1.00 0.00 N ATOM 662 CA ALA A 66 8.475 -2.593 -8.753 1.00 0.00 C ATOM 663 C ALA A 66 7.259 -3.106 -9.535 1.00 0.00 C ATOM 664 O ALA A 66 6.191 -2.483 -9.540 1.00 0.00 O ATOM 665 CB ALA A 66 9.327 -1.679 -9.652 1.00 0.00 C ATOM 0 H ALA A 66 10.171 -3.827 -8.778 1.00 0.00 H new ATOM 0 HA ALA A 66 8.116 -2.027 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.716 -0.851 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.168 -1.288 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.700 -2.250 -10.502 1.00 0.00 H new ATOM 671 N SER A 67 7.454 -4.246 -10.210 1.00 0.00 N ATOM 672 CA SER A 67 6.459 -4.849 -11.100 1.00 0.00 C ATOM 673 C SER A 67 6.490 -6.377 -11.011 1.00 0.00 C ATOM 674 O SER A 67 7.356 -6.967 -10.360 1.00 0.00 O ATOM 675 CB SER A 67 6.708 -4.372 -12.557 1.00 0.00 C ATOM 676 OG SER A 67 6.528 -2.967 -12.669 1.00 0.00 O ATOM 0 H SER A 67 8.320 -4.781 -10.151 1.00 0.00 H new ATOM 0 HA SER A 67 5.466 -4.527 -10.786 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.720 -4.638 -12.863 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.025 -4.885 -13.234 1.00 0.00 H new ATOM 0 HG SER A 67 6.691 -2.689 -13.594 1.00 0.00 H new ATOM 682 N PHE A 68 5.493 -6.989 -11.647 1.00 0.00 N ATOM 683 CA PHE A 68 5.407 -8.444 -11.850 1.00 0.00 C ATOM 684 C PHE A 68 4.728 -8.703 -13.199 1.00 0.00 C ATOM 685 O PHE A 68 4.051 -7.824 -13.728 1.00 0.00 O ATOM 686 CB PHE A 68 4.602 -9.130 -10.699 1.00 0.00 C ATOM 687 CG PHE A 68 3.092 -8.831 -10.699 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.585 -7.677 -10.105 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.188 -9.697 -11.327 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.228 -7.408 -10.130 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.838 -9.417 -11.355 1.00 0.00 C ATOM 692 CZ PHE A 68 0.358 -8.275 -10.757 1.00 0.00 C ATOM 0 H PHE A 68 4.703 -6.482 -12.046 1.00 0.00 H new ATOM 0 HA PHE A 68 6.411 -8.869 -11.843 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.744 -10.208 -10.768 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.021 -8.814 -9.744 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.258 -6.985 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.554 -10.598 -11.797 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.848 -6.515 -9.656 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.157 -10.095 -11.847 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.700 -8.057 -10.779 1.00 0.00 H new ATOM 702 N TYR A 69 4.877 -9.910 -13.724 1.00 0.00 N ATOM 703 CA TYR A 69 4.142 -10.368 -14.902 1.00 0.00 C ATOM 704 C TYR A 69 3.767 -11.833 -14.703 1.00 0.00 C ATOM 705 O TYR A 69 4.650 -12.689 -14.566 1.00 0.00 O ATOM 706 CB TYR A 69 4.968 -10.171 -16.198 1.00 0.00 C ATOM 707 CG TYR A 69 4.377 -10.872 -17.438 1.00 0.00 C ATOM 708 CD1 TYR A 69 3.133 -10.503 -17.959 1.00 0.00 C ATOM 709 CD2 TYR A 69 5.060 -11.919 -18.072 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.595 -11.152 -19.056 1.00 0.00 C ATOM 711 CE2 TYR A 69 4.526 -12.561 -19.168 1.00 0.00 C ATOM 712 CZ TYR A 69 3.298 -12.178 -19.655 1.00 0.00 C ATOM 713 OH TYR A 69 2.770 -12.832 -20.746 1.00 0.00 O ATOM 0 H TYR A 69 5.516 -10.608 -13.344 1.00 0.00 H new ATOM 0 HA TYR A 69 3.237 -9.772 -15.016 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.051 -9.104 -16.403 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.979 -10.544 -16.031 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.582 -9.697 -17.497 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.023 -12.228 -17.694 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.630 -10.858 -19.442 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.071 -13.363 -19.644 1.00 0.00 H new ATOM 0 HH TYR A 69 3.394 -13.526 -21.045 1.00 0.00 H new ATOM 723 N VAL A 70 2.451 -12.106 -14.666 1.00 0.00 N ATOM 724 CA VAL A 70 1.927 -13.467 -14.587 1.00 0.00 C ATOM 725 C VAL A 70 2.249 -14.198 -15.894 1.00 0.00 C ATOM 726 O VAL A 70 1.773 -13.818 -16.969 1.00 0.00 O ATOM 727 CB VAL A 70 0.386 -13.496 -14.283 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.148 -14.952 -14.245 1.00 0.00 C ATOM 729 CG2 VAL A 70 0.080 -12.749 -12.957 1.00 0.00 C ATOM 0 H VAL A 70 1.728 -11.387 -14.690 1.00 0.00 H new ATOM 0 HA VAL A 70 2.409 -13.977 -13.753 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.132 -12.979 -15.091 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.217 -14.942 -14.033 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.026 -15.429 -15.210 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.371 -15.510 -13.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.992 -12.779 -12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.612 -13.231 -12.137 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.405 -11.712 -13.040 1.00 0.00 H new ATOM 739 N VAL A 71 3.109 -15.212 -15.782 1.00 0.00 N ATOM 740 CA VAL A 71 3.600 -15.978 -16.927 1.00 0.00 C ATOM 741 C VAL A 71 2.701 -17.193 -17.213 1.00 0.00 C ATOM 742 O VAL A 71 2.699 -17.706 -18.343 1.00 0.00 O ATOM 743 CB VAL A 71 5.093 -16.414 -16.707 1.00 0.00 C ATOM 744 CG1 VAL A 71 6.013 -15.168 -16.646 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.262 -17.299 -15.442 1.00 0.00 C ATOM 0 H VAL A 71 3.486 -15.526 -14.888 1.00 0.00 H new ATOM 0 HA VAL A 71 3.564 -15.331 -17.804 1.00 0.00 H new ATOM 0 HB VAL A 71 5.389 -17.025 -17.560 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.045 -15.485 -16.493 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.938 -14.614 -17.582 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.704 -14.528 -15.820 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.310 -17.577 -15.330 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.938 -16.742 -14.563 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.657 -18.200 -15.545 1.00 0.00 H new ATOM 755 N ASP A 72 1.917 -17.630 -16.194 1.00 0.00 N ATOM 756 CA ASP A 72 1.030 -18.797 -16.322 1.00 0.00 C ATOM 757 C ASP A 72 0.007 -18.841 -15.166 1.00 0.00 C ATOM 758 O ASP A 72 0.350 -18.583 -14.009 1.00 0.00 O ATOM 759 CB ASP A 72 1.872 -20.106 -16.339 1.00 0.00 C ATOM 760 CG ASP A 72 1.047 -21.348 -16.716 1.00 0.00 C ATOM 761 OD1 ASP A 72 0.440 -21.976 -15.826 1.00 0.00 O ATOM 762 OD2 ASP A 72 0.988 -21.690 -17.909 1.00 0.00 O ATOM 0 H ASP A 72 1.887 -17.185 -15.277 1.00 0.00 H new ATOM 0 HA ASP A 72 0.482 -18.710 -17.260 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.693 -19.994 -17.047 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.317 -20.257 -15.356 1.00 0.00 H new ATOM 767 N THR A 73 -1.254 -19.167 -15.505 1.00 0.00 N ATOM 768 CA THR A 73 -2.306 -19.515 -14.530 1.00 0.00 C ATOM 769 C THR A 73 -2.833 -20.926 -14.873 1.00 0.00 C ATOM 770 O THR A 73 -3.528 -21.107 -15.870 1.00 0.00 O ATOM 771 CB THR A 73 -3.489 -18.478 -14.541 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.980 -18.303 -15.883 1.00 0.00 O ATOM 773 CG2 THR A 73 -3.077 -17.108 -13.974 1.00 0.00 C ATOM 0 H THR A 73 -1.575 -19.197 -16.473 1.00 0.00 H new ATOM 0 HA THR A 73 -1.878 -19.494 -13.528 1.00 0.00 H new ATOM 0 HB THR A 73 -4.271 -18.884 -13.900 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.043 -19.176 -16.325 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.930 -16.430 -14.005 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.744 -17.226 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.264 -16.696 -14.572 1.00 0.00 H new ATOM 781 N SER A 74 -2.461 -21.929 -14.054 1.00 0.00 N ATOM 782 CA SER A 74 -2.857 -23.334 -14.271 1.00 0.00 C ATOM 783 C SER A 74 -3.580 -23.871 -13.033 1.00 0.00 C ATOM 784 O SER A 74 -3.049 -23.786 -11.918 1.00 0.00 O ATOM 785 CB SER A 74 -1.618 -24.191 -14.597 1.00 0.00 C ATOM 786 OG SER A 74 -1.965 -25.518 -14.944 1.00 0.00 O ATOM 0 H SER A 74 -1.880 -21.789 -13.227 1.00 0.00 H new ATOM 0 HA SER A 74 -3.540 -23.386 -15.119 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.068 -23.734 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.950 -24.205 -13.735 1.00 0.00 H new ATOM 0 HG SER A 74 -1.152 -26.027 -15.145 1.00 0.00 H new ATOM 792 N GLU A 75 -4.796 -24.417 -13.240 1.00 0.00 N ATOM 793 CA GLU A 75 -5.620 -24.961 -12.149 1.00 0.00 C ATOM 794 C GLU A 75 -5.034 -26.298 -11.654 1.00 0.00 C ATOM 795 O GLU A 75 -4.806 -27.213 -12.457 1.00 0.00 O ATOM 796 CB GLU A 75 -7.091 -25.127 -12.594 1.00 0.00 C ATOM 797 CG GLU A 75 -7.746 -23.828 -13.118 1.00 0.00 C ATOM 798 CD GLU A 75 -9.269 -23.933 -13.242 1.00 0.00 C ATOM 799 OE1 GLU A 75 -9.761 -24.456 -14.269 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.986 -23.526 -12.298 1.00 0.00 O ATOM 0 H GLU A 75 -5.228 -24.491 -14.161 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.607 -24.253 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.139 -25.885 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.674 -25.500 -11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.498 -23.006 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.324 -23.582 -14.092 1.00 0.00 H new ATOM 866 N ASN A 81 -8.901 -24.509 -6.961 1.00 0.00 N ATOM 867 CA ASN A 81 -7.572 -24.036 -6.565 1.00 0.00 C ATOM 868 C ASN A 81 -6.699 -23.893 -7.807 1.00 0.00 C ATOM 869 O ASN A 81 -6.202 -24.885 -8.346 1.00 0.00 O ATOM 870 CB ASN A 81 -6.898 -24.980 -5.531 1.00 0.00 C ATOM 871 CG ASN A 81 -5.526 -24.462 -5.063 1.00 0.00 C ATOM 872 OD1 ASN A 81 -5.436 -23.637 -4.157 1.00 0.00 O ATOM 873 ND2 ASN A 81 -4.450 -24.950 -5.666 1.00 0.00 N ATOM 0 HA ASN A 81 -7.687 -23.067 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.553 -25.094 -4.667 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.778 -25.969 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.521 -24.641 -5.380 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.552 -25.634 -6.416 1.00 0.00 H new ATOM 880 N TRP A 82 -6.569 -22.652 -8.281 1.00 0.00 N ATOM 881 CA TRP A 82 -5.785 -22.318 -9.472 1.00 0.00 C ATOM 882 C TRP A 82 -4.515 -21.559 -9.075 1.00 0.00 C ATOM 883 O TRP A 82 -4.559 -20.562 -8.347 1.00 0.00 O ATOM 884 CB TRP A 82 -6.643 -21.536 -10.507 1.00 0.00 C ATOM 885 CG TRP A 82 -7.231 -20.228 -10.032 1.00 0.00 C ATOM 886 CD1 TRP A 82 -8.090 -20.038 -8.995 1.00 0.00 C ATOM 887 CD2 TRP A 82 -7.031 -18.937 -10.617 1.00 0.00 C ATOM 888 NE1 TRP A 82 -8.397 -18.722 -8.868 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.777 -18.023 -9.857 1.00 0.00 C ATOM 890 CE3 TRP A 82 -6.281 -18.467 -11.691 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.798 -16.669 -10.135 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -6.315 -17.120 -11.981 1.00 0.00 C ATOM 893 CH2 TRP A 82 -7.069 -16.236 -11.203 1.00 0.00 C ATOM 0 H TRP A 82 -7.010 -21.842 -7.844 1.00 0.00 H new ATOM 0 HA TRP A 82 -5.476 -23.242 -9.960 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.026 -21.336 -11.383 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.459 -22.181 -10.833 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -8.474 -20.824 -8.361 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.997 -18.321 -8.147 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.685 -19.144 -12.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -8.370 -15.981 -9.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.751 -16.742 -12.821 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -7.074 -15.186 -11.454 1.00 0.00 H new ATOM 904 N ARG A 83 -3.386 -22.082 -9.551 1.00 0.00 N ATOM 905 CA ARG A 83 -2.056 -21.555 -9.267 1.00 0.00 C ATOM 906 C ARG A 83 -1.737 -20.404 -10.230 1.00 0.00 C ATOM 907 O ARG A 83 -1.868 -20.545 -11.446 1.00 0.00 O ATOM 908 CB ARG A 83 -1.017 -22.712 -9.367 1.00 0.00 C ATOM 909 CG ARG A 83 0.451 -22.359 -8.988 1.00 0.00 C ATOM 910 CD ARG A 83 1.263 -21.757 -10.149 1.00 0.00 C ATOM 911 NE ARG A 83 1.406 -22.698 -11.269 1.00 0.00 N ATOM 912 CZ ARG A 83 1.117 -22.444 -12.549 1.00 0.00 C ATOM 913 NH1 ARG A 83 0.530 -21.309 -12.916 1.00 0.00 N ATOM 914 NH2 ARG A 83 1.392 -23.354 -13.460 1.00 0.00 N ATOM 0 H ARG A 83 -3.372 -22.902 -10.158 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.014 -21.151 -8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.350 -23.526 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.024 -23.090 -10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.443 -21.653 -8.158 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.952 -23.260 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.774 -20.848 -10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.251 -21.469 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 83 1.758 -23.630 -11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.290 -20.609 -12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.320 -21.138 -13.899 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.820 -24.238 -13.185 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.177 -23.175 -14.441 1.00 0.00 H new ATOM 928 N VAL A 84 -1.306 -19.275 -9.660 1.00 0.00 N ATOM 929 CA VAL A 84 -0.866 -18.090 -10.403 1.00 0.00 C ATOM 930 C VAL A 84 0.639 -17.902 -10.161 1.00 0.00 C ATOM 931 O VAL A 84 1.058 -17.581 -9.043 1.00 0.00 O ATOM 932 CB VAL A 84 -1.669 -16.814 -9.936 1.00 0.00 C ATOM 933 CG1 VAL A 84 -1.233 -15.537 -10.699 1.00 0.00 C ATOM 934 CG2 VAL A 84 -3.192 -17.055 -10.060 1.00 0.00 C ATOM 0 H VAL A 84 -1.252 -19.157 -8.648 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.056 -18.226 -11.468 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.434 -16.644 -8.885 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.813 -14.685 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.173 -15.353 -10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.406 -15.674 -11.766 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.729 -16.164 -9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.443 -17.270 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.479 -17.901 -9.435 1.00 0.00 H new ATOM 944 N VAL A 85 1.454 -18.154 -11.196 1.00 0.00 N ATOM 945 CA VAL A 85 2.915 -17.955 -11.129 1.00 0.00 C ATOM 946 C VAL A 85 3.299 -16.701 -11.939 1.00 0.00 C ATOM 947 O VAL A 85 2.799 -16.487 -13.057 1.00 0.00 O ATOM 948 CB VAL A 85 3.714 -19.231 -11.614 1.00 0.00 C ATOM 949 CG1 VAL A 85 3.447 -19.579 -13.097 1.00 0.00 C ATOM 950 CG2 VAL A 85 5.227 -19.094 -11.328 1.00 0.00 C ATOM 0 H VAL A 85 1.125 -18.499 -12.098 1.00 0.00 H new ATOM 0 HA VAL A 85 3.195 -17.803 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 85 3.337 -20.070 -11.029 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.022 -20.463 -13.373 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.385 -19.779 -13.238 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.746 -18.741 -13.727 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.745 -19.988 -11.674 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.619 -18.222 -11.852 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.385 -18.975 -10.256 1.00 0.00 H new ATOM 960 N ALA A 86 4.166 -15.861 -11.350 1.00 0.00 N ATOM 961 CA ALA A 86 4.566 -14.575 -11.925 1.00 0.00 C ATOM 962 C ALA A 86 6.035 -14.273 -11.628 1.00 0.00 C ATOM 963 O ALA A 86 6.465 -14.345 -10.479 1.00 0.00 O ATOM 964 CB ALA A 86 3.685 -13.447 -11.368 1.00 0.00 C ATOM 0 H ALA A 86 4.610 -16.061 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 86 4.436 -14.636 -13.006 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.993 -12.496 -11.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.643 -13.641 -11.620 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.794 -13.402 -10.284 1.00 0.00 H new ATOM 970 N ASP A 87 6.795 -13.930 -12.670 1.00 0.00 N ATOM 971 CA ASP A 87 8.160 -13.405 -12.518 1.00 0.00 C ATOM 972 C ASP A 87 8.091 -11.931 -12.095 1.00 0.00 C ATOM 973 O ASP A 87 7.234 -11.189 -12.574 1.00 0.00 O ATOM 974 CB ASP A 87 8.942 -13.569 -13.837 1.00 0.00 C ATOM 975 CG ASP A 87 9.328 -15.031 -14.134 1.00 0.00 C ATOM 976 OD1 ASP A 87 8.452 -15.818 -14.546 1.00 0.00 O ATOM 977 OD2 ASP A 87 10.509 -15.401 -13.939 1.00 0.00 O ATOM 0 H ASP A 87 6.487 -14.006 -13.639 1.00 0.00 H new ATOM 0 HA ASP A 87 8.687 -13.966 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.339 -13.184 -14.660 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.847 -12.962 -13.794 1.00 0.00 H new ATOM 982 N VAL A 88 8.992 -11.517 -11.192 1.00 0.00 N ATOM 983 CA VAL A 88 8.968 -10.174 -10.581 1.00 0.00 C ATOM 984 C VAL A 88 10.208 -9.353 -10.995 1.00 0.00 C ATOM 985 O VAL A 88 11.301 -9.903 -11.182 1.00 0.00 O ATOM 986 CB VAL A 88 8.819 -10.284 -9.016 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.447 -10.888 -8.645 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.959 -11.106 -8.365 1.00 0.00 C ATOM 0 H VAL A 88 9.760 -12.102 -10.863 1.00 0.00 H new ATOM 0 HA VAL A 88 8.097 -9.636 -10.954 1.00 0.00 H new ATOM 0 HB VAL A 88 8.888 -9.271 -8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.361 -10.957 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.652 -10.251 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.358 -11.884 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.806 -11.149 -7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.957 -12.117 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.917 -10.631 -8.577 1.00 0.00 H new ATOM 998 N TYR A 89 10.010 -8.021 -11.147 1.00 0.00 N ATOM 999 CA TYR A 89 10.974 -7.097 -11.792 1.00 0.00 C ATOM 1000 C TYR A 89 11.268 -5.896 -10.870 1.00 0.00 C ATOM 1001 O TYR A 89 10.338 -5.283 -10.344 1.00 0.00 O ATOM 1002 CB TYR A 89 10.388 -6.564 -13.140 1.00 0.00 C ATOM 1003 CG TYR A 89 9.976 -7.650 -14.149 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.736 -8.293 -14.048 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.820 -8.038 -15.192 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.361 -9.273 -14.945 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.440 -9.016 -16.093 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.215 -9.631 -15.961 1.00 0.00 C ATOM 1009 OH TYR A 89 8.843 -10.611 -16.853 1.00 0.00 O ATOM 0 H TYR A 89 9.165 -7.552 -10.821 1.00 0.00 H new ATOM 0 HA TYR A 89 11.897 -7.646 -11.981 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.518 -5.946 -12.920 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.129 -5.917 -13.609 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.060 -8.017 -13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.786 -7.566 -15.297 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.400 -9.757 -14.849 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.103 -9.297 -16.898 1.00 0.00 H new ATOM 0 HH TYR A 89 9.558 -10.744 -17.510 1.00 0.00 H new ATOM 1019 N LYS A 90 12.559 -5.545 -10.712 1.00 0.00 N ATOM 1020 CA LYS A 90 13.011 -4.394 -9.892 1.00 0.00 C ATOM 1021 C LYS A 90 12.958 -3.079 -10.697 1.00 0.00 C ATOM 1022 O LYS A 90 12.848 -3.094 -11.930 1.00 0.00 O ATOM 1023 CB LYS A 90 14.471 -4.634 -9.402 1.00 0.00 C ATOM 1024 CG LYS A 90 14.647 -5.824 -8.438 1.00 0.00 C ATOM 1025 CD LYS A 90 13.934 -5.629 -7.074 1.00 0.00 C ATOM 1026 CE LYS A 90 14.505 -4.456 -6.259 1.00 0.00 C ATOM 1027 NZ LYS A 90 15.943 -4.641 -5.953 1.00 0.00 N ATOM 0 H LYS A 90 13.326 -6.053 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 90 12.339 -4.307 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.109 -4.793 -10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.826 -3.730 -8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.263 -6.726 -8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.711 -5.985 -8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.871 -5.461 -7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.021 -6.546 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.369 -3.528 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.946 -4.355 -5.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.255 -3.901 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.089 -5.576 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.496 -4.576 -6.831 1.00 0.00 H new ATOM 1041 N ALA A 91 13.053 -1.948 -9.975 1.00 0.00 N ATOM 1042 CA ALA A 91 13.286 -0.617 -10.568 1.00 0.00 C ATOM 1043 C ALA A 91 14.749 -0.220 -10.278 1.00 0.00 C ATOM 1044 O ALA A 91 15.089 -0.050 -9.084 1.00 0.00 O ATOM 1045 CB ALA A 91 12.300 0.426 -9.998 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.559 -0.105 -11.224 1.00 0.00 O ATOM 0 H ALA A 91 12.970 -1.931 -8.959 1.00 0.00 H new ATOM 0 HA ALA A 91 13.116 -0.651 -11.644 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.495 1.397 -10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.278 0.120 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.431 0.498 -8.918 1.00 0.00 H new