USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 565 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.71 K(o=-1.7,f=-4.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= -2.09! (180deg=-2.26!) USER MOD Single : A 26 THR OG1 : rot 38:sc= -1.49! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -160:sc= -0.259 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.817 K(o=-0.82,f=-0.16) USER MOD Single : A 42 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.014) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0679 USER MOD Single : A 49 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0265 X(o=-0.026,f=-0.09) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 163:sc= -2.31 (180deg=-3.07) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N LEU A 4 -16.263 3.587 4.404 1.00 1.16 N ATOM 41 CA LEU A 4 -15.317 4.404 5.145 1.00 0.55 C ATOM 42 C LEU A 4 -14.245 4.929 4.188 1.00 0.50 C ATOM 43 O LEU A 4 -13.108 5.168 4.594 1.00 0.90 O ATOM 44 CB LEU A 4 -14.751 3.623 6.333 1.00 1.34 C ATOM 45 CG LEU A 4 -13.794 2.479 5.990 1.00 1.04 C ATOM 46 CD1 LEU A 4 -12.337 2.933 6.097 1.00 2.13 C ATOM 47 CD2 LEU A 4 -14.077 1.250 6.855 1.00 2.33 C ATOM 0 HA LEU A 4 -15.817 5.273 5.573 1.00 0.55 H new ATOM 0 HB2 LEU A 4 -14.230 4.322 6.987 1.00 1.34 H new ATOM 0 HB3 LEU A 4 -15.585 3.214 6.904 1.00 1.34 H new ATOM 0 HG LEU A 4 -13.965 2.189 4.953 1.00 1.04 H new ATOM 0 HD11 LEU A 4 -11.678 2.101 5.848 1.00 2.13 H new ATOM 0 HD12 LEU A 4 -12.160 3.756 5.404 1.00 2.13 H new ATOM 0 HD13 LEU A 4 -12.133 3.266 7.115 1.00 2.13 H new ATOM 0 HD21 LEU A 4 -13.383 0.452 6.591 1.00 2.33 H new ATOM 0 HD22 LEU A 4 -13.950 1.508 7.906 1.00 2.33 H new ATOM 0 HD23 LEU A 4 -15.100 0.913 6.685 1.00 2.33 H new ATOM 59 N THR A 5 -14.644 5.094 2.936 1.00 0.62 N ATOM 60 CA THR A 5 -13.732 5.587 1.918 1.00 0.62 C ATOM 61 C THR A 5 -13.436 7.072 2.141 1.00 0.51 C ATOM 62 O THR A 5 -12.308 7.521 1.941 1.00 0.44 O ATOM 63 CB THR A 5 -14.345 5.289 0.548 1.00 0.84 C ATOM 64 OG1 THR A 5 -14.488 3.872 0.533 1.00 1.84 O ATOM 65 CG2 THR A 5 -13.379 5.579 -0.602 1.00 1.43 C ATOM 0 H THR A 5 -15.587 4.895 2.603 1.00 0.62 H new ATOM 0 HA THR A 5 -12.767 5.083 1.975 1.00 0.62 H new ATOM 0 HB THR A 5 -15.250 5.882 0.419 1.00 0.84 H new ATOM 0 HG1 THR A 5 -14.881 3.592 -0.320 1.00 1.84 H new ATOM 0 HG21 THR A 5 -13.864 5.351 -1.551 1.00 1.43 H new ATOM 0 HG22 THR A 5 -13.096 6.632 -0.583 1.00 1.43 H new ATOM 0 HG23 THR A 5 -12.487 4.962 -0.493 1.00 1.43 H new ATOM 73 N GLU A 6 -14.468 7.793 2.552 1.00 0.57 N ATOM 74 CA GLU A 6 -14.333 9.218 2.805 1.00 0.57 C ATOM 75 C GLU A 6 -13.291 9.467 3.897 1.00 0.46 C ATOM 76 O GLU A 6 -12.288 10.138 3.661 1.00 0.44 O ATOM 77 CB GLU A 6 -15.680 9.838 3.181 1.00 0.73 C ATOM 78 CG GLU A 6 -15.508 11.290 3.631 1.00 1.13 C ATOM 79 CD GLU A 6 -16.509 12.206 2.922 1.00 1.73 C ATOM 80 OE1 GLU A 6 -17.722 11.998 3.142 1.00 2.07 O ATOM 81 OE2 GLU A 6 -16.039 13.092 2.177 1.00 2.87 O ATOM 0 H GLU A 6 -15.402 7.417 2.716 1.00 0.57 H new ATOM 0 HA GLU A 6 -13.992 9.699 1.888 1.00 0.57 H new ATOM 0 HB2 GLU A 6 -16.355 9.796 2.326 1.00 0.73 H new ATOM 0 HB3 GLU A 6 -16.141 9.258 3.980 1.00 0.73 H new ATOM 0 HG2 GLU A 6 -15.647 11.359 4.710 1.00 1.13 H new ATOM 0 HG3 GLU A 6 -14.492 11.622 3.419 1.00 1.13 H new ATOM 88 N GLU A 7 -13.564 8.912 5.068 1.00 0.52 N ATOM 89 CA GLU A 7 -12.662 9.065 6.197 1.00 0.54 C ATOM 90 C GLU A 7 -11.322 8.388 5.902 1.00 0.50 C ATOM 91 O GLU A 7 -10.276 8.848 6.359 1.00 0.55 O ATOM 92 CB GLU A 7 -13.287 8.508 7.478 1.00 0.68 C ATOM 93 CG GLU A 7 -13.676 7.039 7.305 1.00 0.73 C ATOM 94 CD GLU A 7 -13.425 6.250 8.591 1.00 1.18 C ATOM 95 OE1 GLU A 7 -13.819 6.765 9.659 1.00 1.72 O ATOM 96 OE2 GLU A 7 -12.844 5.149 8.477 1.00 2.61 O ATOM 0 H GLU A 7 -14.397 8.356 5.260 1.00 0.52 H new ATOM 0 HA GLU A 7 -12.483 10.129 6.352 1.00 0.54 H new ATOM 0 HB2 GLU A 7 -12.582 8.606 8.303 1.00 0.68 H new ATOM 0 HB3 GLU A 7 -14.169 9.093 7.741 1.00 0.68 H new ATOM 0 HG2 GLU A 7 -14.728 6.968 7.030 1.00 0.73 H new ATOM 0 HG3 GLU A 7 -13.103 6.601 6.488 1.00 0.73 H new ATOM 103 N GLN A 8 -11.397 7.306 5.141 1.00 0.50 N ATOM 104 CA GLN A 8 -10.203 6.561 4.780 1.00 0.50 C ATOM 105 C GLN A 8 -9.306 7.404 3.871 1.00 0.46 C ATOM 106 O GLN A 8 -8.145 7.650 4.194 1.00 0.57 O ATOM 107 CB GLN A 8 -10.566 5.233 4.113 1.00 0.57 C ATOM 108 CG GLN A 8 -9.328 4.566 3.510 1.00 1.59 C ATOM 109 CD GLN A 8 -8.268 4.307 4.583 1.00 2.11 C ATOM 110 OE1 GLN A 8 -7.694 5.218 5.156 1.00 2.91 O ATOM 111 NE2 GLN A 8 -8.041 3.018 4.820 1.00 2.67 N ATOM 0 H GLN A 8 -12.266 6.927 4.764 1.00 0.50 H new ATOM 0 HA GLN A 8 -9.651 6.333 5.692 1.00 0.50 H new ATOM 0 HB2 GLN A 8 -11.022 4.567 4.845 1.00 0.57 H new ATOM 0 HB3 GLN A 8 -11.308 5.405 3.333 1.00 0.57 H new ATOM 0 HG2 GLN A 8 -9.611 3.625 3.038 1.00 1.59 H new ATOM 0 HG3 GLN A 8 -8.912 5.202 2.729 1.00 1.59 H new ATOM 0 HE21 GLN A 8 -8.557 2.306 4.304 1.00 2.67 H new ATOM 0 HE22 GLN A 8 -7.350 2.742 5.518 1.00 2.67 H new ATOM 120 N ILE A 9 -9.879 7.823 2.752 1.00 0.40 N ATOM 121 CA ILE A 9 -9.146 8.634 1.794 1.00 0.44 C ATOM 122 C ILE A 9 -8.594 9.874 2.498 1.00 0.48 C ATOM 123 O ILE A 9 -7.505 10.345 2.172 1.00 0.62 O ATOM 124 CB ILE A 9 -10.022 8.954 0.581 1.00 0.50 C ATOM 125 CG1 ILE A 9 -10.319 7.691 -0.230 1.00 1.51 C ATOM 126 CG2 ILE A 9 -9.390 10.051 -0.278 1.00 2.04 C ATOM 127 CD1 ILE A 9 -11.101 8.026 -1.501 1.00 2.51 C ATOM 0 H ILE A 9 -10.842 7.616 2.487 1.00 0.40 H new ATOM 0 HA ILE A 9 -8.291 8.082 1.404 1.00 0.44 H new ATOM 0 HB ILE A 9 -10.977 9.337 0.941 1.00 0.50 H new ATOM 0 HG12 ILE A 9 -9.384 7.196 -0.494 1.00 1.51 H new ATOM 0 HG13 ILE A 9 -10.890 6.990 0.378 1.00 1.51 H new ATOM 0 HG21 ILE A 9 -10.033 10.259 -1.133 1.00 2.04 H new ATOM 0 HG22 ILE A 9 -9.273 10.957 0.317 1.00 2.04 H new ATOM 0 HG23 ILE A 9 -8.413 9.720 -0.630 1.00 2.04 H new ATOM 0 HD11 ILE A 9 -11.299 7.110 -2.059 1.00 2.51 H new ATOM 0 HD12 ILE A 9 -12.046 8.499 -1.233 1.00 2.51 H new ATOM 0 HD13 ILE A 9 -10.517 8.708 -2.119 1.00 2.51 H new ATOM 139 N ALA A 10 -9.370 10.369 3.452 1.00 0.46 N ATOM 140 CA ALA A 10 -8.972 11.546 4.205 1.00 0.54 C ATOM 141 C ALA A 10 -7.526 11.381 4.675 1.00 0.54 C ATOM 142 O ALA A 10 -6.666 12.197 4.347 1.00 0.60 O ATOM 143 CB ALA A 10 -9.942 11.759 5.369 1.00 0.56 C ATOM 0 H ALA A 10 -10.272 9.976 3.720 1.00 0.46 H new ATOM 0 HA ALA A 10 -9.015 12.436 3.577 1.00 0.54 H new ATOM 0 HB1 ALA A 10 -9.644 12.642 5.934 1.00 0.56 H new ATOM 0 HB2 ALA A 10 -10.951 11.900 4.981 1.00 0.56 H new ATOM 0 HB3 ALA A 10 -9.924 10.887 6.022 1.00 0.56 H new ATOM 149 N GLU A 11 -7.301 10.319 5.435 1.00 0.54 N ATOM 150 CA GLU A 11 -5.973 10.036 5.952 1.00 0.61 C ATOM 151 C GLU A 11 -5.044 9.595 4.819 1.00 0.57 C ATOM 152 O GLU A 11 -3.920 10.081 4.709 1.00 0.62 O ATOM 153 CB GLU A 11 -6.029 8.980 7.058 1.00 0.73 C ATOM 154 CG GLU A 11 -6.352 9.619 8.410 1.00 1.07 C ATOM 155 CD GLU A 11 -6.663 8.551 9.461 1.00 1.39 C ATOM 156 OE1 GLU A 11 -7.707 7.883 9.300 1.00 1.99 O ATOM 157 OE2 GLU A 11 -5.848 8.426 10.401 1.00 2.31 O ATOM 0 H GLU A 11 -8.016 9.644 5.705 1.00 0.54 H new ATOM 0 HA GLU A 11 -5.572 10.951 6.388 1.00 0.61 H new ATOM 0 HB2 GLU A 11 -6.785 8.233 6.815 1.00 0.73 H new ATOM 0 HB3 GLU A 11 -5.073 8.459 7.117 1.00 0.73 H new ATOM 0 HG2 GLU A 11 -5.508 10.225 8.741 1.00 1.07 H new ATOM 0 HG3 GLU A 11 -7.205 10.290 8.305 1.00 1.07 H new ATOM 164 N PHE A 12 -5.549 8.680 4.006 1.00 0.52 N ATOM 165 CA PHE A 12 -4.779 8.168 2.885 1.00 0.53 C ATOM 166 C PHE A 12 -4.199 9.311 2.050 1.00 0.52 C ATOM 167 O PHE A 12 -3.024 9.286 1.687 1.00 0.69 O ATOM 168 CB PHE A 12 -5.740 7.354 2.016 1.00 0.55 C ATOM 169 CG PHE A 12 -5.368 5.875 1.893 1.00 0.77 C ATOM 170 CD1 PHE A 12 -5.520 5.045 2.960 1.00 0.86 C ATOM 171 CD2 PHE A 12 -4.885 5.391 0.718 1.00 1.52 C ATOM 172 CE1 PHE A 12 -5.174 3.673 2.846 1.00 1.28 C ATOM 173 CE2 PHE A 12 -4.540 4.018 0.604 1.00 2.07 C ATOM 174 CZ PHE A 12 -4.691 3.188 1.671 1.00 1.85 C ATOM 0 H PHE A 12 -6.482 8.279 4.101 1.00 0.52 H new ATOM 0 HA PHE A 12 -3.949 7.563 3.250 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -6.744 7.432 2.432 1.00 0.55 H new ATOM 0 HB3 PHE A 12 -5.773 7.794 1.019 1.00 0.55 H new ATOM 0 HD1 PHE A 12 -5.904 5.430 3.893 1.00 0.86 H new ATOM 0 HD2 PHE A 12 -4.764 6.050 -0.129 1.00 1.52 H new ATOM 0 HE1 PHE A 12 -5.294 3.014 3.693 1.00 1.28 H new ATOM 0 HE2 PHE A 12 -4.158 3.633 -0.330 1.00 2.07 H new ATOM 0 HZ PHE A 12 -4.427 2.144 1.585 1.00 1.85 H new ATOM 184 N LYS A 13 -5.051 10.287 1.770 1.00 0.46 N ATOM 185 CA LYS A 13 -4.638 11.438 0.984 1.00 0.51 C ATOM 186 C LYS A 13 -3.248 11.888 1.440 1.00 0.54 C ATOM 187 O LYS A 13 -2.305 11.897 0.650 1.00 0.58 O ATOM 188 CB LYS A 13 -5.695 12.541 1.054 1.00 0.54 C ATOM 189 CG LYS A 13 -5.703 13.374 -0.230 1.00 0.72 C ATOM 190 CD LYS A 13 -6.958 14.247 -0.309 1.00 1.53 C ATOM 191 CE LYS A 13 -7.801 13.884 -1.533 1.00 1.36 C ATOM 192 NZ LYS A 13 -9.163 14.450 -1.410 1.00 2.64 N ATOM 0 H LYS A 13 -6.025 10.304 2.073 1.00 0.46 H new ATOM 0 HA LYS A 13 -4.558 11.172 -0.070 1.00 0.51 H new ATOM 0 HB2 LYS A 13 -6.679 12.098 1.211 1.00 0.54 H new ATOM 0 HB3 LYS A 13 -5.496 13.187 1.910 1.00 0.54 H new ATOM 0 HG2 LYS A 13 -4.814 14.004 -0.265 1.00 0.72 H new ATOM 0 HG3 LYS A 13 -5.660 12.714 -1.096 1.00 0.72 H new ATOM 0 HD2 LYS A 13 -7.551 14.120 0.596 1.00 1.53 H new ATOM 0 HD3 LYS A 13 -6.672 15.298 -0.358 1.00 1.53 H new ATOM 0 HE2 LYS A 13 -7.323 14.263 -2.436 1.00 1.36 H new ATOM 0 HE3 LYS A 13 -7.859 12.800 -1.634 1.00 1.36 H new ATOM 0 HZ1 LYS A 13 -9.722 14.194 -2.249 1.00 2.64 H new ATOM 0 HZ2 LYS A 13 -9.622 14.068 -0.558 1.00 2.64 H new ATOM 0 HZ3 LYS A 13 -9.103 15.486 -1.336 1.00 2.64 H new ATOM 206 N GLU A 14 -3.166 12.252 2.711 1.00 0.55 N ATOM 207 CA GLU A 14 -1.908 12.702 3.281 1.00 0.61 C ATOM 208 C GLU A 14 -0.940 11.526 3.428 1.00 0.60 C ATOM 209 O GLU A 14 0.205 11.601 2.984 1.00 0.74 O ATOM 210 CB GLU A 14 -2.132 13.399 4.624 1.00 0.70 C ATOM 211 CG GLU A 14 -1.166 14.572 4.802 1.00 1.27 C ATOM 212 CD GLU A 14 -1.802 15.882 4.332 1.00 2.57 C ATOM 213 OE1 GLU A 14 -2.573 16.457 5.131 1.00 3.04 O ATOM 214 OE2 GLU A 14 -1.504 16.278 3.185 1.00 3.95 O ATOM 0 H GLU A 14 -3.951 12.244 3.362 1.00 0.55 H new ATOM 0 HA GLU A 14 -1.464 13.429 2.601 1.00 0.61 H new ATOM 0 HB2 GLU A 14 -3.160 13.757 4.685 1.00 0.70 H new ATOM 0 HB3 GLU A 14 -1.995 12.684 5.436 1.00 0.70 H new ATOM 0 HG2 GLU A 14 -0.881 14.657 5.851 1.00 1.27 H new ATOM 0 HG3 GLU A 14 -0.252 14.384 4.238 1.00 1.27 H new ATOM 221 N ALA A 15 -1.436 10.468 4.052 1.00 0.67 N ATOM 222 CA ALA A 15 -0.630 9.278 4.263 1.00 0.74 C ATOM 223 C ALA A 15 0.156 8.967 2.987 1.00 0.70 C ATOM 224 O ALA A 15 1.353 8.689 3.044 1.00 0.70 O ATOM 225 CB ALA A 15 -1.532 8.118 4.688 1.00 0.80 C ATOM 0 H ALA A 15 -2.386 10.410 4.418 1.00 0.67 H new ATOM 0 HA ALA A 15 0.091 9.441 5.064 1.00 0.74 H new ATOM 0 HB1 ALA A 15 -0.927 7.225 4.846 1.00 0.80 H new ATOM 0 HB2 ALA A 15 -2.046 8.377 5.614 1.00 0.80 H new ATOM 0 HB3 ALA A 15 -2.267 7.924 3.907 1.00 0.80 H new ATOM 231 N PHE A 16 -0.549 9.024 1.867 1.00 0.69 N ATOM 232 CA PHE A 16 0.068 8.752 0.580 1.00 0.70 C ATOM 233 C PHE A 16 1.511 9.259 0.545 1.00 0.63 C ATOM 234 O PHE A 16 2.431 8.504 0.234 1.00 0.74 O ATOM 235 CB PHE A 16 -0.749 9.502 -0.475 1.00 0.77 C ATOM 236 CG PHE A 16 -0.172 9.410 -1.889 1.00 0.94 C ATOM 237 CD1 PHE A 16 -0.135 8.211 -2.532 1.00 0.70 C ATOM 238 CD2 PHE A 16 0.303 10.526 -2.504 1.00 1.53 C ATOM 239 CE1 PHE A 16 0.400 8.126 -3.844 1.00 0.94 C ATOM 240 CE2 PHE A 16 0.837 10.440 -3.817 1.00 1.81 C ATOM 241 CZ PHE A 16 0.875 9.242 -4.459 1.00 1.47 C ATOM 0 H PHE A 16 -1.542 9.255 1.824 1.00 0.69 H new ATOM 0 HA PHE A 16 0.084 7.678 0.395 1.00 0.70 H new ATOM 0 HB2 PHE A 16 -1.765 9.107 -0.482 1.00 0.77 H new ATOM 0 HB3 PHE A 16 -0.817 10.552 -0.189 1.00 0.77 H new ATOM 0 HD1 PHE A 16 -0.513 7.325 -2.044 1.00 0.70 H new ATOM 0 HD2 PHE A 16 0.274 11.478 -1.994 1.00 1.53 H new ATOM 0 HE1 PHE A 16 0.430 7.175 -4.354 1.00 0.94 H new ATOM 0 HE2 PHE A 16 1.213 11.327 -4.306 1.00 1.81 H new ATOM 0 HZ PHE A 16 1.282 9.177 -5.457 1.00 1.47 H new ATOM 251 N SER A 17 1.665 10.535 0.869 1.00 0.57 N ATOM 252 CA SER A 17 2.980 11.151 0.879 1.00 0.52 C ATOM 253 C SER A 17 4.017 10.164 1.417 1.00 0.43 C ATOM 254 O SER A 17 5.073 9.976 0.814 1.00 0.44 O ATOM 255 CB SER A 17 2.982 12.432 1.716 1.00 0.56 C ATOM 256 OG SER A 17 4.292 12.778 2.159 1.00 1.67 O ATOM 0 H SER A 17 0.900 11.159 1.127 1.00 0.57 H new ATOM 0 HA SER A 17 3.240 11.418 -0.145 1.00 0.52 H new ATOM 0 HB2 SER A 17 2.571 13.251 1.126 1.00 0.56 H new ATOM 0 HB3 SER A 17 2.330 12.302 2.580 1.00 0.56 H new ATOM 0 HG SER A 17 4.251 13.602 2.688 1.00 1.67 H new ATOM 262 N LEU A 18 3.680 9.558 2.546 1.00 0.41 N ATOM 263 CA LEU A 18 4.569 8.594 3.172 1.00 0.39 C ATOM 264 C LEU A 18 4.610 7.320 2.326 1.00 0.40 C ATOM 265 O LEU A 18 5.670 6.928 1.839 1.00 0.45 O ATOM 266 CB LEU A 18 4.159 8.353 4.626 1.00 0.40 C ATOM 267 CG LEU A 18 4.269 9.558 5.563 1.00 0.46 C ATOM 268 CD1 LEU A 18 3.710 9.228 6.948 1.00 0.57 C ATOM 269 CD2 LEU A 18 5.710 10.068 5.633 1.00 0.58 C ATOM 0 H LEU A 18 2.804 9.716 3.043 1.00 0.41 H new ATOM 0 HA LEU A 18 5.586 8.984 3.212 1.00 0.39 H new ATOM 0 HB2 LEU A 18 3.127 8.001 4.638 1.00 0.40 H new ATOM 0 HB3 LEU A 18 4.775 7.548 5.028 1.00 0.40 H new ATOM 0 HG LEU A 18 3.661 10.365 5.154 1.00 0.46 H new ATOM 0 HD11 LEU A 18 3.800 10.101 7.594 1.00 0.57 H new ATOM 0 HD12 LEU A 18 2.660 8.949 6.860 1.00 0.57 H new ATOM 0 HD13 LEU A 18 4.271 8.398 7.379 1.00 0.57 H new ATOM 0 HD21 LEU A 18 5.761 10.924 6.305 1.00 0.58 H new ATOM 0 HD22 LEU A 18 6.359 9.275 6.006 1.00 0.58 H new ATOM 0 HD23 LEU A 18 6.039 10.368 4.638 1.00 0.58 H new ATOM 281 N PHE A 19 3.444 6.709 2.176 1.00 0.42 N ATOM 282 CA PHE A 19 3.334 5.487 1.397 1.00 0.49 C ATOM 283 C PHE A 19 4.166 5.577 0.116 1.00 0.45 C ATOM 284 O PHE A 19 4.881 4.639 -0.231 1.00 0.51 O ATOM 285 CB PHE A 19 1.859 5.327 1.023 1.00 0.58 C ATOM 286 CG PHE A 19 0.966 4.894 2.187 1.00 1.11 C ATOM 287 CD1 PHE A 19 1.420 3.986 3.092 1.00 2.31 C ATOM 288 CD2 PHE A 19 -0.283 5.417 2.317 1.00 2.63 C ATOM 289 CE1 PHE A 19 0.591 3.584 4.172 1.00 2.83 C ATOM 290 CE2 PHE A 19 -1.113 5.015 3.397 1.00 3.06 C ATOM 291 CZ PHE A 19 -0.658 4.107 4.302 1.00 2.50 C ATOM 0 H PHE A 19 2.567 7.037 2.581 1.00 0.42 H new ATOM 0 HA PHE A 19 3.701 4.641 1.978 1.00 0.49 H new ATOM 0 HB2 PHE A 19 1.490 6.274 0.628 1.00 0.58 H new ATOM 0 HB3 PHE A 19 1.775 4.593 0.222 1.00 0.58 H new ATOM 0 HD1 PHE A 19 2.412 3.571 2.989 1.00 2.31 H new ATOM 0 HD2 PHE A 19 -0.644 6.138 1.599 1.00 2.63 H new ATOM 0 HE1 PHE A 19 0.952 2.863 4.890 1.00 2.83 H new ATOM 0 HE2 PHE A 19 -2.105 5.430 3.500 1.00 3.06 H new ATOM 0 HZ PHE A 19 -1.288 3.801 5.124 1.00 2.50 H new ATOM 301 N ASP A 20 4.044 6.715 -0.553 1.00 0.43 N ATOM 302 CA ASP A 20 4.775 6.939 -1.788 1.00 0.45 C ATOM 303 C ASP A 20 6.174 7.465 -1.459 1.00 0.48 C ATOM 304 O ASP A 20 6.356 8.663 -1.244 1.00 0.85 O ATOM 305 CB ASP A 20 4.073 7.980 -2.663 1.00 0.60 C ATOM 306 CG ASP A 20 4.058 7.662 -4.159 1.00 0.66 C ATOM 307 OD1 ASP A 20 4.315 6.485 -4.492 1.00 1.21 O ATOM 308 OD2 ASP A 20 3.790 8.603 -4.936 1.00 0.95 O ATOM 0 H ASP A 20 3.450 7.491 -0.262 1.00 0.43 H new ATOM 0 HA ASP A 20 4.827 5.992 -2.325 1.00 0.45 H new ATOM 0 HB2 ASP A 20 3.044 8.087 -2.319 1.00 0.60 H new ATOM 0 HB3 ASP A 20 4.560 8.944 -2.517 1.00 0.60 H new ATOM 313 N LYS A 21 7.126 6.544 -1.429 1.00 0.51 N ATOM 314 CA LYS A 21 8.502 6.900 -1.130 1.00 0.69 C ATOM 315 C LYS A 21 9.130 7.568 -2.355 1.00 0.58 C ATOM 316 O LYS A 21 9.538 8.727 -2.294 1.00 0.81 O ATOM 317 CB LYS A 21 9.276 5.678 -0.632 1.00 0.94 C ATOM 318 CG LYS A 21 8.462 4.898 0.403 1.00 0.83 C ATOM 319 CD LYS A 21 8.217 5.742 1.656 1.00 1.05 C ATOM 320 CE LYS A 21 7.243 5.043 2.606 1.00 1.27 C ATOM 321 NZ LYS A 21 6.930 5.913 3.761 1.00 1.93 N ATOM 0 H LYS A 21 6.971 5.552 -1.607 1.00 0.51 H new ATOM 0 HA LYS A 21 8.539 7.625 -0.317 1.00 0.69 H new ATOM 0 HB2 LYS A 21 9.519 5.029 -1.473 1.00 0.94 H new ATOM 0 HB3 LYS A 21 10.221 5.996 -0.192 1.00 0.94 H new ATOM 0 HG2 LYS A 21 7.508 4.598 -0.030 1.00 0.83 H new ATOM 0 HG3 LYS A 21 8.991 3.984 0.673 1.00 0.83 H new ATOM 0 HD2 LYS A 21 9.162 5.923 2.167 1.00 1.05 H new ATOM 0 HD3 LYS A 21 7.817 6.715 1.371 1.00 1.05 H new ATOM 0 HE2 LYS A 21 6.326 4.791 2.074 1.00 1.27 H new ATOM 0 HE3 LYS A 21 7.677 4.106 2.956 1.00 1.27 H new ATOM 0 HZ1 LYS A 21 6.168 5.483 4.323 1.00 1.93 H new ATOM 0 HZ2 LYS A 21 7.778 6.022 4.353 1.00 1.93 H new ATOM 0 HZ3 LYS A 21 6.624 6.846 3.420 1.00 1.93 H new ATOM 335 N ASP A 22 9.187 6.809 -3.439 1.00 0.54 N ATOM 336 CA ASP A 22 9.757 7.312 -4.677 1.00 0.49 C ATOM 337 C ASP A 22 9.040 8.603 -5.076 1.00 0.50 C ATOM 338 O ASP A 22 9.681 9.581 -5.460 1.00 0.66 O ATOM 339 CB ASP A 22 9.584 6.304 -5.814 1.00 0.64 C ATOM 340 CG ASP A 22 8.133 5.980 -6.175 1.00 2.11 C ATOM 341 OD1 ASP A 22 7.277 6.129 -5.276 1.00 4.00 O ATOM 342 OD2 ASP A 22 7.911 5.592 -7.342 1.00 2.33 O ATOM 0 H ASP A 22 8.847 5.848 -3.486 1.00 0.54 H new ATOM 0 HA ASP A 22 10.820 7.488 -4.511 1.00 0.49 H new ATOM 0 HB2 ASP A 22 10.086 6.690 -6.701 1.00 0.64 H new ATOM 0 HB3 ASP A 22 10.090 5.378 -5.539 1.00 0.64 H new ATOM 347 N GLY A 23 7.720 8.566 -4.971 1.00 0.51 N ATOM 348 CA GLY A 23 6.909 9.721 -5.316 1.00 0.61 C ATOM 349 C GLY A 23 6.659 9.785 -6.824 1.00 0.65 C ATOM 350 O GLY A 23 6.620 10.868 -7.405 1.00 0.75 O ATOM 0 H GLY A 23 7.192 7.754 -4.652 1.00 0.51 H new ATOM 0 HA2 GLY A 23 5.957 9.672 -4.788 1.00 0.61 H new ATOM 0 HA3 GLY A 23 7.409 10.632 -4.988 1.00 0.61 H new ATOM 354 N ASP A 24 6.496 8.610 -7.415 1.00 0.67 N ATOM 355 CA ASP A 24 6.251 8.518 -8.844 1.00 0.78 C ATOM 356 C ASP A 24 4.746 8.395 -9.092 1.00 0.72 C ATOM 357 O ASP A 24 4.276 8.632 -10.204 1.00 1.09 O ATOM 358 CB ASP A 24 6.931 7.285 -9.442 1.00 0.87 C ATOM 359 CG ASP A 24 6.131 5.986 -9.326 1.00 1.29 C ATOM 360 OD1 ASP A 24 5.679 5.696 -8.198 1.00 1.07 O ATOM 361 OD2 ASP A 24 5.990 5.312 -10.369 1.00 2.31 O ATOM 0 H ASP A 24 6.529 7.714 -6.930 1.00 0.67 H new ATOM 0 HA ASP A 24 6.655 9.415 -9.313 1.00 0.78 H new ATOM 0 HB2 ASP A 24 7.135 7.476 -10.496 1.00 0.87 H new ATOM 0 HB3 ASP A 24 7.894 7.146 -8.951 1.00 0.87 H new ATOM 366 N GLY A 25 4.033 8.026 -8.039 1.00 0.49 N ATOM 367 CA GLY A 25 2.591 7.869 -8.128 1.00 0.47 C ATOM 368 C GLY A 25 2.175 6.432 -7.810 1.00 0.49 C ATOM 369 O GLY A 25 0.986 6.122 -7.761 1.00 0.96 O ATOM 0 H GLY A 25 4.427 7.831 -7.119 1.00 0.49 H new ATOM 0 HA2 GLY A 25 2.104 8.554 -7.435 1.00 0.47 H new ATOM 0 HA3 GLY A 25 2.254 8.136 -9.130 1.00 0.47 H new ATOM 373 N THR A 26 3.179 5.592 -7.602 1.00 0.39 N ATOM 374 CA THR A 26 2.932 4.194 -7.289 1.00 0.53 C ATOM 375 C THR A 26 3.802 3.749 -6.113 1.00 0.42 C ATOM 376 O THR A 26 4.946 4.182 -5.983 1.00 0.45 O ATOM 377 CB THR A 26 3.166 3.377 -8.561 1.00 0.87 C ATOM 378 OG1 THR A 26 4.290 4.002 -9.174 1.00 1.08 O ATOM 379 CG2 THR A 26 2.041 3.549 -9.584 1.00 1.32 C ATOM 0 H THR A 26 4.164 5.852 -7.644 1.00 0.39 H new ATOM 0 HA THR A 26 1.902 4.036 -6.968 1.00 0.53 H new ATOM 0 HB THR A 26 3.262 2.323 -8.301 1.00 0.87 H new ATOM 0 HG1 THR A 26 4.928 4.277 -8.483 1.00 1.08 H new ATOM 0 HG21 THR A 26 2.257 2.948 -10.467 1.00 1.32 H new ATOM 0 HG22 THR A 26 1.098 3.224 -9.146 1.00 1.32 H new ATOM 0 HG23 THR A 26 1.966 4.598 -9.869 1.00 1.32 H new ATOM 387 N ILE A 27 3.227 2.889 -5.285 1.00 0.40 N ATOM 388 CA ILE A 27 3.936 2.381 -4.123 1.00 0.34 C ATOM 389 C ILE A 27 4.654 1.082 -4.497 1.00 0.31 C ATOM 390 O ILE A 27 4.109 -0.006 -4.318 1.00 0.47 O ATOM 391 CB ILE A 27 2.984 2.236 -2.934 1.00 0.40 C ATOM 392 CG1 ILE A 27 2.844 3.560 -2.180 1.00 0.53 C ATOM 393 CG2 ILE A 27 3.423 1.095 -2.014 1.00 0.40 C ATOM 394 CD1 ILE A 27 1.892 4.510 -2.910 1.00 0.76 C ATOM 0 H ILE A 27 2.278 2.531 -5.396 1.00 0.40 H new ATOM 0 HA ILE A 27 4.701 3.089 -3.804 1.00 0.34 H new ATOM 0 HB ILE A 27 1.997 1.977 -3.317 1.00 0.40 H new ATOM 0 HG12 ILE A 27 2.473 3.371 -1.173 1.00 0.53 H new ATOM 0 HG13 ILE A 27 3.823 4.029 -2.077 1.00 0.53 H new ATOM 0 HG21 ILE A 27 2.729 1.014 -1.178 1.00 0.40 H new ATOM 0 HG22 ILE A 27 3.428 0.159 -2.572 1.00 0.40 H new ATOM 0 HG23 ILE A 27 4.425 1.298 -1.636 1.00 0.40 H new ATOM 0 HD11 ILE A 27 1.811 5.443 -2.352 1.00 0.76 H new ATOM 0 HD12 ILE A 27 2.278 4.716 -3.908 1.00 0.76 H new ATOM 0 HD13 ILE A 27 0.908 4.048 -2.990 1.00 0.76 H new ATOM 406 N THR A 28 5.866 1.240 -5.009 1.00 0.26 N ATOM 407 CA THR A 28 6.664 0.094 -5.409 1.00 0.30 C ATOM 408 C THR A 28 6.755 -0.919 -4.266 1.00 0.28 C ATOM 409 O THR A 28 6.715 -0.544 -3.095 1.00 0.30 O ATOM 410 CB THR A 28 8.028 0.607 -5.876 1.00 0.38 C ATOM 411 OG1 THR A 28 7.799 1.029 -7.218 1.00 0.45 O ATOM 412 CG2 THR A 28 9.061 -0.514 -6.009 1.00 0.46 C ATOM 0 H THR A 28 6.314 2.144 -5.156 1.00 0.26 H new ATOM 0 HA THR A 28 6.200 -0.440 -6.238 1.00 0.30 H new ATOM 0 HB THR A 28 8.394 1.356 -5.174 1.00 0.38 H new ATOM 0 HG1 THR A 28 8.632 1.378 -7.598 1.00 0.45 H new ATOM 0 HG21 THR A 28 10.011 -0.096 -6.343 1.00 0.46 H new ATOM 0 HG22 THR A 28 9.198 -0.999 -5.043 1.00 0.46 H new ATOM 0 HG23 THR A 28 8.711 -1.247 -6.736 1.00 0.46 H new ATOM 420 N THR A 29 6.875 -2.183 -4.645 1.00 0.31 N ATOM 421 CA THR A 29 6.972 -3.252 -3.666 1.00 0.35 C ATOM 422 C THR A 29 7.944 -2.866 -2.549 1.00 0.38 C ATOM 423 O THR A 29 7.604 -2.949 -1.370 1.00 0.41 O ATOM 424 CB THR A 29 7.370 -4.533 -4.403 1.00 0.42 C ATOM 425 OG1 THR A 29 8.651 -4.234 -4.950 1.00 0.49 O ATOM 426 CG2 THR A 29 6.494 -4.800 -5.628 1.00 0.41 C ATOM 0 H THR A 29 6.907 -2.491 -5.617 1.00 0.31 H new ATOM 0 HA THR A 29 6.015 -3.427 -3.175 1.00 0.35 H new ATOM 0 HB THR A 29 7.306 -5.380 -3.720 1.00 0.42 H new ATOM 0 HG1 THR A 29 8.985 -5.012 -5.444 1.00 0.49 H new ATOM 0 HG21 THR A 29 6.819 -5.720 -6.114 1.00 0.41 H new ATOM 0 HG22 THR A 29 5.454 -4.901 -5.317 1.00 0.41 H new ATOM 0 HG23 THR A 29 6.584 -3.969 -6.328 1.00 0.41 H new ATOM 434 N LYS A 30 9.133 -2.452 -2.960 1.00 0.46 N ATOM 435 CA LYS A 30 10.157 -2.054 -2.009 1.00 0.54 C ATOM 436 C LYS A 30 9.644 -0.874 -1.180 1.00 0.55 C ATOM 437 O LYS A 30 9.944 -0.769 0.008 1.00 0.65 O ATOM 438 CB LYS A 30 11.477 -1.771 -2.729 1.00 0.67 C ATOM 439 CG LYS A 30 11.477 -0.371 -3.346 1.00 1.07 C ATOM 440 CD LYS A 30 12.247 -0.354 -4.667 1.00 1.16 C ATOM 441 CE LYS A 30 13.757 -0.326 -4.422 1.00 1.79 C ATOM 442 NZ LYS A 30 14.345 0.926 -4.948 1.00 2.23 N ATOM 0 H LYS A 30 9.411 -2.383 -3.939 1.00 0.46 H new ATOM 0 HA LYS A 30 10.368 -2.867 -1.314 1.00 0.54 H new ATOM 0 HB2 LYS A 30 12.305 -1.862 -2.026 1.00 0.67 H new ATOM 0 HB3 LYS A 30 11.637 -2.516 -3.509 1.00 0.67 H new ATOM 0 HG2 LYS A 30 10.451 -0.044 -3.515 1.00 1.07 H new ATOM 0 HG3 LYS A 30 11.927 0.337 -2.650 1.00 1.07 H new ATOM 0 HD2 LYS A 30 11.987 -1.234 -5.255 1.00 1.16 H new ATOM 0 HD3 LYS A 30 11.954 0.518 -5.252 1.00 1.16 H new ATOM 0 HE2 LYS A 30 13.960 -0.409 -3.354 1.00 1.79 H new ATOM 0 HE3 LYS A 30 14.225 -1.185 -4.903 1.00 1.79 H new ATOM 0 HZ1 LYS A 30 15.370 0.928 -4.773 1.00 2.23 H new ATOM 0 HZ2 LYS A 30 14.168 0.990 -5.971 1.00 2.23 H new ATOM 0 HZ3 LYS A 30 13.911 1.741 -4.470 1.00 2.23 H new ATOM 456 N GLU A 31 8.880 -0.016 -1.840 1.00 0.49 N ATOM 457 CA GLU A 31 8.323 1.152 -1.178 1.00 0.52 C ATOM 458 C GLU A 31 7.319 0.726 -0.105 1.00 0.44 C ATOM 459 O GLU A 31 7.146 1.417 0.897 1.00 0.48 O ATOM 460 CB GLU A 31 7.675 2.098 -2.191 1.00 0.59 C ATOM 461 CG GLU A 31 8.726 2.718 -3.113 1.00 0.87 C ATOM 462 CD GLU A 31 8.067 3.549 -4.216 1.00 0.82 C ATOM 463 OE1 GLU A 31 7.003 4.136 -3.924 1.00 1.53 O ATOM 464 OE2 GLU A 31 8.643 3.578 -5.325 1.00 1.94 O ATOM 0 H GLU A 31 8.634 -0.106 -2.826 1.00 0.49 H new ATOM 0 HA GLU A 31 9.135 1.693 -0.693 1.00 0.52 H new ATOM 0 HB2 GLU A 31 6.941 1.553 -2.785 1.00 0.59 H new ATOM 0 HB3 GLU A 31 7.137 2.887 -1.665 1.00 0.59 H new ATOM 0 HG2 GLU A 31 9.399 3.348 -2.531 1.00 0.87 H new ATOM 0 HG3 GLU A 31 9.333 1.930 -3.560 1.00 0.87 H new ATOM 471 N LEU A 32 6.683 -0.410 -0.352 1.00 0.38 N ATOM 472 CA LEU A 32 5.701 -0.937 0.580 1.00 0.36 C ATOM 473 C LEU A 32 6.388 -1.259 1.909 1.00 0.36 C ATOM 474 O LEU A 32 5.892 -0.890 2.973 1.00 0.39 O ATOM 475 CB LEU A 32 4.963 -2.127 -0.035 1.00 0.42 C ATOM 476 CG LEU A 32 3.967 -2.844 0.880 1.00 0.51 C ATOM 477 CD1 LEU A 32 2.972 -3.672 0.064 1.00 1.53 C ATOM 478 CD2 LEU A 32 4.695 -3.690 1.926 1.00 1.82 C ATOM 0 H LEU A 32 6.829 -0.980 -1.185 1.00 0.38 H new ATOM 0 HA LEU A 32 4.935 -0.190 0.789 1.00 0.36 H new ATOM 0 HB2 LEU A 32 4.429 -1.780 -0.920 1.00 0.42 H new ATOM 0 HB3 LEU A 32 5.703 -2.853 -0.373 1.00 0.42 H new ATOM 0 HG LEU A 32 3.393 -2.090 1.419 1.00 0.51 H new ATOM 0 HD11 LEU A 32 2.275 -4.171 0.738 1.00 1.53 H new ATOM 0 HD12 LEU A 32 2.419 -3.017 -0.609 1.00 1.53 H new ATOM 0 HD13 LEU A 32 3.512 -4.419 -0.519 1.00 1.53 H new ATOM 0 HD21 LEU A 32 3.965 -4.189 2.563 1.00 1.82 H new ATOM 0 HD22 LEU A 32 5.310 -4.438 1.425 1.00 1.82 H new ATOM 0 HD23 LEU A 32 5.330 -3.047 2.536 1.00 1.82 H new ATOM 490 N GLY A 33 7.517 -1.944 1.804 1.00 0.44 N ATOM 491 CA GLY A 33 8.276 -2.319 2.985 1.00 0.55 C ATOM 492 C GLY A 33 8.803 -1.082 3.715 1.00 0.57 C ATOM 493 O GLY A 33 9.095 -1.139 4.909 1.00 0.68 O ATOM 0 H GLY A 33 7.924 -2.249 0.920 1.00 0.44 H new ATOM 0 HA2 GLY A 33 7.645 -2.901 3.657 1.00 0.55 H new ATOM 0 HA3 GLY A 33 9.110 -2.959 2.697 1.00 0.55 H new ATOM 497 N THR A 34 8.908 0.007 2.968 1.00 0.54 N ATOM 498 CA THR A 34 9.394 1.256 3.529 1.00 0.66 C ATOM 499 C THR A 34 8.463 1.737 4.644 1.00 0.57 C ATOM 500 O THR A 34 8.922 2.134 5.713 1.00 0.79 O ATOM 501 CB THR A 34 9.544 2.261 2.386 1.00 0.76 C ATOM 502 OG1 THR A 34 10.310 1.563 1.408 1.00 0.93 O ATOM 503 CG2 THR A 34 10.424 3.454 2.767 1.00 0.74 C ATOM 0 H THR A 34 8.665 0.050 1.978 1.00 0.54 H new ATOM 0 HA THR A 34 10.370 1.127 3.997 1.00 0.66 H new ATOM 0 HB THR A 34 8.559 2.618 2.085 1.00 0.76 H new ATOM 0 HG1 THR A 34 10.721 2.207 0.794 1.00 0.93 H new ATOM 0 HG21 THR A 34 10.498 4.137 1.921 1.00 0.74 H new ATOM 0 HG22 THR A 34 9.982 3.975 3.616 1.00 0.74 H new ATOM 0 HG23 THR A 34 11.419 3.101 3.036 1.00 0.74 H new ATOM 511 N VAL A 35 7.171 1.687 4.355 1.00 0.41 N ATOM 512 CA VAL A 35 6.171 2.113 5.319 1.00 0.48 C ATOM 513 C VAL A 35 6.103 1.096 6.460 1.00 0.42 C ATOM 514 O VAL A 35 6.240 1.458 7.628 1.00 0.48 O ATOM 515 CB VAL A 35 4.825 2.319 4.621 1.00 0.57 C ATOM 516 CG1 VAL A 35 3.802 2.938 5.576 1.00 1.33 C ATOM 517 CG2 VAL A 35 4.985 3.173 3.362 1.00 1.26 C ATOM 0 H VAL A 35 6.794 1.358 3.466 1.00 0.41 H new ATOM 0 HA VAL A 35 6.446 3.073 5.755 1.00 0.48 H new ATOM 0 HB VAL A 35 4.452 1.341 4.317 1.00 0.57 H new ATOM 0 HG11 VAL A 35 2.854 3.074 5.055 1.00 1.33 H new ATOM 0 HG12 VAL A 35 3.655 2.277 6.430 1.00 1.33 H new ATOM 0 HG13 VAL A 35 4.167 3.904 5.924 1.00 1.33 H new ATOM 0 HG21 VAL A 35 4.014 3.304 2.885 1.00 1.26 H new ATOM 0 HG22 VAL A 35 5.391 4.148 3.633 1.00 1.26 H new ATOM 0 HG23 VAL A 35 5.665 2.677 2.670 1.00 1.26 H new ATOM 527 N MET A 36 5.891 -0.156 6.083 1.00 0.39 N ATOM 528 CA MET A 36 5.804 -1.228 7.060 1.00 0.43 C ATOM 529 C MET A 36 6.836 -1.041 8.173 1.00 0.46 C ATOM 530 O MET A 36 6.477 -0.911 9.342 1.00 0.48 O ATOM 531 CB MET A 36 6.038 -2.571 6.366 1.00 0.51 C ATOM 532 CG MET A 36 4.936 -2.861 5.345 1.00 0.57 C ATOM 533 SD MET A 36 3.466 -3.434 6.179 1.00 0.68 S ATOM 534 CE MET A 36 2.321 -2.147 5.708 1.00 1.76 C ATOM 0 H MET A 36 5.777 -0.452 5.114 1.00 0.39 H new ATOM 0 HA MET A 36 4.810 -1.208 7.506 1.00 0.43 H new ATOM 0 HB2 MET A 36 7.007 -2.563 5.867 1.00 0.51 H new ATOM 0 HB3 MET A 36 6.069 -3.368 7.109 1.00 0.51 H new ATOM 0 HG2 MET A 36 4.712 -1.960 4.774 1.00 0.57 H new ATOM 0 HG3 MET A 36 5.277 -3.613 4.634 1.00 0.57 H new ATOM 0 HE1 MET A 36 1.344 -2.350 6.147 1.00 1.76 H new ATOM 0 HE2 MET A 36 2.687 -1.185 6.067 1.00 1.76 H new ATOM 0 HE3 MET A 36 2.232 -2.119 4.622 1.00 1.76 H new ATOM 544 N ARG A 37 8.099 -1.033 7.770 1.00 0.54 N ATOM 545 CA ARG A 37 9.186 -0.864 8.719 1.00 0.65 C ATOM 546 C ARG A 37 9.077 0.495 9.415 1.00 0.67 C ATOM 547 O ARG A 37 9.406 0.621 10.593 1.00 0.79 O ATOM 548 CB ARG A 37 10.545 -0.965 8.024 1.00 0.90 C ATOM 549 CG ARG A 37 10.654 0.049 6.883 1.00 1.61 C ATOM 550 CD ARG A 37 11.320 1.341 7.360 1.00 2.60 C ATOM 551 NE ARG A 37 12.209 1.873 6.303 1.00 3.08 N ATOM 552 CZ ARG A 37 13.062 2.890 6.481 1.00 4.00 C ATOM 553 NH1 ARG A 37 13.148 3.492 7.675 1.00 4.78 N ATOM 554 NH2 ARG A 37 13.830 3.306 5.464 1.00 4.52 N ATOM 0 H ARG A 37 8.393 -1.141 6.799 1.00 0.54 H new ATOM 0 HA ARG A 37 9.108 -1.662 9.457 1.00 0.65 H new ATOM 0 HB2 ARG A 37 11.341 -0.791 8.748 1.00 0.90 H new ATOM 0 HB3 ARG A 37 10.684 -1.973 7.634 1.00 0.90 H new ATOM 0 HG2 ARG A 37 11.230 -0.381 6.064 1.00 1.61 H new ATOM 0 HG3 ARG A 37 9.661 0.270 6.492 1.00 1.61 H new ATOM 0 HD2 ARG A 37 10.560 2.080 7.613 1.00 2.60 H new ATOM 0 HD3 ARG A 37 11.894 1.151 8.267 1.00 2.60 H new ATOM 0 HE ARG A 37 12.170 1.438 5.381 1.00 3.08 H new ATOM 0 HH11 ARG A 37 12.564 3.176 8.449 1.00 4.78 H new ATOM 0 HH12 ARG A 37 13.798 4.267 7.810 1.00 4.78 H new ATOM 0 HH21 ARG A 37 13.765 2.848 4.555 1.00 4.52 H new ATOM 0 HH22 ARG A 37 14.480 4.081 5.599 1.00 4.52 H new ATOM 568 N SER A 38 8.614 1.477 8.656 1.00 0.69 N ATOM 569 CA SER A 38 8.457 2.821 9.184 1.00 0.86 C ATOM 570 C SER A 38 7.761 2.771 10.546 1.00 0.84 C ATOM 571 O SER A 38 7.925 3.673 11.365 1.00 1.07 O ATOM 572 CB SER A 38 7.668 3.705 8.217 1.00 0.98 C ATOM 573 OG SER A 38 7.962 5.088 8.395 1.00 1.35 O ATOM 0 H SER A 38 8.342 1.368 7.679 1.00 0.69 H new ATOM 0 HA SER A 38 9.448 3.258 9.306 1.00 0.86 H new ATOM 0 HB2 SER A 38 7.897 3.415 7.192 1.00 0.98 H new ATOM 0 HB3 SER A 38 6.601 3.540 8.364 1.00 0.98 H new ATOM 0 HG SER A 38 7.439 5.618 7.758 1.00 1.35 H new ATOM 579 N LEU A 39 6.998 1.706 10.745 1.00 0.72 N ATOM 580 CA LEU A 39 6.277 1.526 11.993 1.00 0.95 C ATOM 581 C LEU A 39 7.191 0.844 13.013 1.00 1.11 C ATOM 582 O LEU A 39 7.477 1.405 14.069 1.00 2.04 O ATOM 583 CB LEU A 39 4.963 0.780 11.750 1.00 1.03 C ATOM 584 CG LEU A 39 3.971 1.460 10.805 1.00 1.01 C ATOM 585 CD1 LEU A 39 2.830 0.511 10.432 1.00 1.30 C ATOM 586 CD2 LEU A 39 3.453 2.770 11.403 1.00 1.13 C ATOM 0 H LEU A 39 6.864 0.960 10.063 1.00 0.72 H new ATOM 0 HA LEU A 39 5.996 2.492 12.412 1.00 0.95 H new ATOM 0 HB2 LEU A 39 5.197 -0.207 11.350 1.00 1.03 H new ATOM 0 HB3 LEU A 39 4.472 0.627 12.711 1.00 1.03 H new ATOM 0 HG LEU A 39 4.496 1.712 9.883 1.00 1.01 H new ATOM 0 HD11 LEU A 39 2.139 1.019 9.759 1.00 1.30 H new ATOM 0 HD12 LEU A 39 3.237 -0.370 9.936 1.00 1.30 H new ATOM 0 HD13 LEU A 39 2.300 0.207 11.335 1.00 1.30 H new ATOM 0 HD21 LEU A 39 2.750 3.233 10.711 1.00 1.13 H new ATOM 0 HD22 LEU A 39 2.950 2.565 12.348 1.00 1.13 H new ATOM 0 HD23 LEU A 39 4.290 3.447 11.577 1.00 1.13 H new ATOM 598 N GLY A 40 7.626 -0.357 12.660 1.00 0.84 N ATOM 599 CA GLY A 40 8.502 -1.122 13.530 1.00 0.88 C ATOM 600 C GLY A 40 8.263 -2.624 13.368 1.00 0.90 C ATOM 601 O GLY A 40 7.906 -3.307 14.326 1.00 1.83 O ATOM 0 H GLY A 40 7.388 -0.819 11.782 1.00 0.84 H new ATOM 0 HA2 GLY A 40 9.542 -0.889 13.300 1.00 0.88 H new ATOM 0 HA3 GLY A 40 8.332 -0.833 14.567 1.00 0.88 H new ATOM 605 N GLN A 41 8.469 -3.095 12.146 1.00 0.99 N ATOM 606 CA GLN A 41 8.280 -4.504 11.846 1.00 0.90 C ATOM 607 C GLN A 41 9.500 -5.057 11.105 1.00 1.35 C ATOM 608 O GLN A 41 10.035 -6.101 11.476 1.00 3.26 O ATOM 609 CB GLN A 41 7.001 -4.725 11.036 1.00 0.72 C ATOM 610 CG GLN A 41 5.797 -4.929 11.958 1.00 1.51 C ATOM 611 CD GLN A 41 5.767 -6.355 12.513 1.00 2.56 C ATOM 612 OE1 GLN A 41 5.190 -7.261 11.935 1.00 3.15 O ATOM 613 NE2 GLN A 41 6.419 -6.502 13.663 1.00 3.79 N ATOM 0 H GLN A 41 8.765 -2.526 11.353 1.00 0.99 H new ATOM 0 HA GLN A 41 8.174 -5.045 12.786 1.00 0.90 H new ATOM 0 HB2 GLN A 41 6.825 -3.868 10.386 1.00 0.72 H new ATOM 0 HB3 GLN A 41 7.121 -5.595 10.390 1.00 0.72 H new ATOM 0 HG2 GLN A 41 5.840 -4.215 12.781 1.00 1.51 H new ATOM 0 HG3 GLN A 41 4.876 -4.729 11.410 1.00 1.51 H new ATOM 0 HE21 GLN A 41 6.881 -5.701 14.093 1.00 3.79 H new ATOM 0 HE22 GLN A 41 6.457 -7.416 14.114 1.00 3.79 H new ATOM 622 N ASN A 42 9.904 -4.332 10.072 1.00 0.82 N ATOM 623 CA ASN A 42 11.050 -4.737 9.277 1.00 0.70 C ATOM 624 C ASN A 42 10.743 -6.069 8.589 1.00 0.57 C ATOM 625 O ASN A 42 11.460 -7.050 8.779 1.00 0.58 O ATOM 626 CB ASN A 42 12.288 -4.933 10.154 1.00 0.78 C ATOM 627 CG ASN A 42 13.516 -4.273 9.525 1.00 1.30 C ATOM 628 OD1 ASN A 42 14.509 -4.913 9.219 1.00 1.82 O ATOM 629 ND2 ASN A 42 13.394 -2.960 9.349 1.00 1.59 N ATOM 0 H ASN A 42 9.458 -3.467 9.768 1.00 0.82 H new ATOM 0 HA ASN A 42 11.247 -3.953 8.546 1.00 0.70 H new ATOM 0 HB2 ASN A 42 12.109 -4.509 11.142 1.00 0.78 H new ATOM 0 HB3 ASN A 42 12.474 -5.998 10.293 1.00 0.78 H new ATOM 0 HD21 ASN A 42 14.159 -2.428 8.936 1.00 1.59 H new ATOM 0 HD22 ASN A 42 12.535 -2.486 9.627 1.00 1.59 H new ATOM 636 N PRO A 43 9.648 -6.060 7.782 1.00 0.51 N ATOM 637 CA PRO A 43 9.237 -7.255 7.064 1.00 0.47 C ATOM 638 C PRO A 43 10.157 -7.521 5.871 1.00 0.44 C ATOM 639 O PRO A 43 11.124 -6.793 5.653 1.00 0.53 O ATOM 640 CB PRO A 43 7.797 -6.993 6.657 1.00 0.51 C ATOM 641 CG PRO A 43 7.603 -5.489 6.753 1.00 0.55 C ATOM 642 CD PRO A 43 8.775 -4.917 7.532 1.00 0.58 C ATOM 0 HA PRO A 43 9.307 -8.157 7.672 1.00 0.47 H new ATOM 0 HB2 PRO A 43 7.607 -7.347 5.644 1.00 0.51 H new ATOM 0 HB3 PRO A 43 7.104 -7.519 7.314 1.00 0.51 H new ATOM 0 HG2 PRO A 43 7.553 -5.046 5.758 1.00 0.55 H new ATOM 0 HG3 PRO A 43 6.663 -5.257 7.253 1.00 0.55 H new ATOM 0 HD2 PRO A 43 9.289 -4.143 6.962 1.00 0.58 H new ATOM 0 HD3 PRO A 43 8.445 -4.460 8.465 1.00 0.58 H new ATOM 650 N THR A 44 9.824 -8.568 5.130 1.00 0.43 N ATOM 651 CA THR A 44 10.608 -8.939 3.964 1.00 0.49 C ATOM 652 C THR A 44 9.879 -8.536 2.681 1.00 0.41 C ATOM 653 O THR A 44 8.667 -8.715 2.569 1.00 0.38 O ATOM 654 CB THR A 44 10.902 -10.438 4.051 1.00 0.65 C ATOM 655 OG1 THR A 44 9.756 -10.980 4.703 1.00 0.68 O ATOM 656 CG2 THR A 44 12.057 -10.754 5.003 1.00 0.75 C ATOM 0 H THR A 44 9.022 -9.171 5.314 1.00 0.43 H new ATOM 0 HA THR A 44 11.559 -8.407 3.940 1.00 0.49 H new ATOM 0 HB THR A 44 11.136 -10.820 3.057 1.00 0.65 H new ATOM 0 HG1 THR A 44 9.862 -11.949 4.799 1.00 0.68 H new ATOM 0 HG21 THR A 44 12.224 -11.831 5.028 1.00 0.75 H new ATOM 0 HG22 THR A 44 12.962 -10.254 4.656 1.00 0.75 H new ATOM 0 HG23 THR A 44 11.810 -10.402 6.005 1.00 0.75 H new ATOM 664 N GLU A 45 10.649 -8.000 1.745 1.00 0.45 N ATOM 665 CA GLU A 45 10.092 -7.570 0.474 1.00 0.43 C ATOM 666 C GLU A 45 9.551 -8.773 -0.303 1.00 0.37 C ATOM 667 O GLU A 45 8.702 -8.619 -1.179 1.00 0.37 O ATOM 668 CB GLU A 45 11.131 -6.808 -0.350 1.00 0.53 C ATOM 669 CG GLU A 45 12.296 -7.718 -0.741 1.00 0.56 C ATOM 670 CD GLU A 45 13.609 -7.222 -0.130 1.00 1.92 C ATOM 671 OE1 GLU A 45 13.754 -7.372 1.102 1.00 3.40 O ATOM 672 OE2 GLU A 45 14.437 -6.703 -0.910 1.00 2.50 O ATOM 0 H GLU A 45 11.654 -7.854 1.842 1.00 0.45 H new ATOM 0 HA GLU A 45 9.265 -6.889 0.674 1.00 0.43 H new ATOM 0 HB2 GLU A 45 10.663 -6.404 -1.248 1.00 0.53 H new ATOM 0 HB3 GLU A 45 11.504 -5.960 0.224 1.00 0.53 H new ATOM 0 HG2 GLU A 45 12.096 -8.735 -0.405 1.00 0.56 H new ATOM 0 HG3 GLU A 45 12.386 -7.753 -1.827 1.00 0.56 H new ATOM 679 N ALA A 46 10.065 -9.942 0.048 1.00 0.36 N ATOM 680 CA ALA A 46 9.644 -11.170 -0.605 1.00 0.36 C ATOM 681 C ALA A 46 8.207 -11.496 -0.193 1.00 0.35 C ATOM 682 O ALA A 46 7.328 -11.626 -1.043 1.00 0.36 O ATOM 683 CB ALA A 46 10.621 -12.295 -0.256 1.00 0.41 C ATOM 0 H ALA A 46 10.769 -10.065 0.776 1.00 0.36 H new ATOM 0 HA ALA A 46 9.657 -11.052 -1.689 1.00 0.36 H new ATOM 0 HB1 ALA A 46 10.305 -13.216 -0.746 1.00 0.41 H new ATOM 0 HB2 ALA A 46 11.621 -12.027 -0.597 1.00 0.41 H new ATOM 0 HB3 ALA A 46 10.634 -12.444 0.824 1.00 0.41 H new ATOM 689 N GLU A 47 8.014 -11.619 1.112 1.00 0.36 N ATOM 690 CA GLU A 47 6.699 -11.927 1.648 1.00 0.38 C ATOM 691 C GLU A 47 5.666 -10.923 1.130 1.00 0.35 C ATOM 692 O GLU A 47 4.558 -11.305 0.755 1.00 0.38 O ATOM 693 CB GLU A 47 6.722 -11.949 3.178 1.00 0.42 C ATOM 694 CG GLU A 47 7.190 -13.309 3.699 1.00 0.47 C ATOM 695 CD GLU A 47 6.015 -14.118 4.254 1.00 0.68 C ATOM 696 OE1 GLU A 47 5.260 -14.666 3.422 1.00 1.43 O ATOM 697 OE2 GLU A 47 5.899 -14.169 5.498 1.00 1.48 O ATOM 0 H GLU A 47 8.746 -11.511 1.814 1.00 0.36 H new ATOM 0 HA GLU A 47 6.413 -12.922 1.307 1.00 0.38 H new ATOM 0 HB2 GLU A 47 7.385 -11.166 3.547 1.00 0.42 H new ATOM 0 HB3 GLU A 47 5.726 -11.731 3.564 1.00 0.42 H new ATOM 0 HG2 GLU A 47 7.671 -13.865 2.894 1.00 0.47 H new ATOM 0 HG3 GLU A 47 7.938 -13.166 4.479 1.00 0.47 H new ATOM 704 N LEU A 48 6.066 -9.660 1.125 1.00 0.32 N ATOM 705 CA LEU A 48 5.189 -8.600 0.659 1.00 0.32 C ATOM 706 C LEU A 48 5.017 -8.715 -0.857 1.00 0.29 C ATOM 707 O LEU A 48 4.022 -8.249 -1.409 1.00 0.30 O ATOM 708 CB LEU A 48 5.708 -7.235 1.118 1.00 0.35 C ATOM 709 CG LEU A 48 5.422 -6.863 2.574 1.00 0.43 C ATOM 710 CD1 LEU A 48 3.931 -6.991 2.890 1.00 0.64 C ATOM 711 CD2 LEU A 48 6.284 -7.691 3.530 1.00 0.45 C ATOM 0 H LEU A 48 6.986 -9.347 1.436 1.00 0.32 H new ATOM 0 HA LEU A 48 4.198 -8.704 1.101 1.00 0.32 H new ATOM 0 HB2 LEU A 48 6.786 -7.207 0.962 1.00 0.35 H new ATOM 0 HB3 LEU A 48 5.273 -6.469 0.476 1.00 0.35 H new ATOM 0 HG LEU A 48 5.693 -5.817 2.719 1.00 0.43 H new ATOM 0 HD11 LEU A 48 3.755 -6.721 3.931 1.00 0.64 H new ATOM 0 HD12 LEU A 48 3.363 -6.324 2.241 1.00 0.64 H new ATOM 0 HD13 LEU A 48 3.611 -8.019 2.723 1.00 0.64 H new ATOM 0 HD21 LEU A 48 6.062 -7.407 4.559 1.00 0.45 H new ATOM 0 HD22 LEU A 48 6.067 -8.750 3.391 1.00 0.45 H new ATOM 0 HD23 LEU A 48 7.338 -7.506 3.322 1.00 0.45 H new ATOM 723 N GLN A 49 6.003 -9.338 -1.486 1.00 0.29 N ATOM 724 CA GLN A 49 5.973 -9.520 -2.927 1.00 0.30 C ATOM 725 C GLN A 49 4.706 -10.271 -3.341 1.00 0.30 C ATOM 726 O GLN A 49 4.129 -9.991 -4.391 1.00 0.30 O ATOM 727 CB GLN A 49 7.226 -10.251 -3.413 1.00 0.37 C ATOM 728 CG GLN A 49 7.440 -10.034 -4.913 1.00 0.49 C ATOM 729 CD GLN A 49 8.805 -10.566 -5.354 1.00 0.74 C ATOM 730 OE1 GLN A 49 9.083 -11.753 -5.303 1.00 1.06 O ATOM 731 NE2 GLN A 49 9.638 -9.625 -5.790 1.00 2.24 N ATOM 0 H GLN A 49 6.827 -9.723 -1.024 1.00 0.29 H new ATOM 0 HA GLN A 49 5.960 -8.537 -3.398 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.096 -9.894 -2.862 1.00 0.37 H new ATOM 0 HB3 GLN A 49 7.133 -11.317 -3.206 1.00 0.37 H new ATOM 0 HG2 GLN A 49 6.651 -10.537 -5.473 1.00 0.49 H new ATOM 0 HG3 GLN A 49 7.368 -8.971 -5.144 1.00 0.49 H new ATOM 0 HE21 GLN A 49 9.341 -8.649 -5.806 1.00 2.24 H new ATOM 0 HE22 GLN A 49 10.573 -9.879 -6.108 1.00 2.24 H new ATOM 740 N ASP A 50 4.310 -11.211 -2.495 1.00 0.34 N ATOM 741 CA ASP A 50 3.122 -12.004 -2.760 1.00 0.40 C ATOM 742 C ASP A 50 1.879 -11.132 -2.570 1.00 0.39 C ATOM 743 O ASP A 50 0.875 -11.318 -3.256 1.00 0.43 O ATOM 744 CB ASP A 50 3.022 -13.187 -1.795 1.00 0.48 C ATOM 745 CG ASP A 50 2.082 -14.308 -2.241 1.00 0.86 C ATOM 746 OD1 ASP A 50 1.684 -14.278 -3.425 1.00 2.02 O ATOM 747 OD2 ASP A 50 1.783 -15.171 -1.387 1.00 1.87 O ATOM 0 H ASP A 50 4.791 -11.441 -1.626 1.00 0.34 H new ATOM 0 HA ASP A 50 3.187 -12.377 -3.782 1.00 0.40 H new ATOM 0 HB2 ASP A 50 4.019 -13.605 -1.652 1.00 0.48 H new ATOM 0 HB3 ASP A 50 2.688 -12.818 -0.825 1.00 0.48 H new ATOM 752 N MET A 51 1.987 -10.200 -1.635 1.00 0.37 N ATOM 753 CA MET A 51 0.885 -9.298 -1.346 1.00 0.41 C ATOM 754 C MET A 51 0.671 -8.308 -2.492 1.00 0.38 C ATOM 755 O MET A 51 -0.425 -8.217 -3.043 1.00 0.41 O ATOM 756 CB MET A 51 1.177 -8.531 -0.055 1.00 0.43 C ATOM 757 CG MET A 51 0.847 -9.379 1.174 1.00 0.60 C ATOM 758 SD MET A 51 -0.663 -8.799 1.929 1.00 1.26 S ATOM 759 CE MET A 51 0.004 -7.610 3.082 1.00 2.50 C ATOM 0 H MET A 51 2.821 -10.050 -1.067 1.00 0.37 H new ATOM 0 HA MET A 51 -0.023 -9.890 -1.229 1.00 0.41 H new ATOM 0 HB2 MET A 51 2.228 -8.241 -0.030 1.00 0.43 H new ATOM 0 HB3 MET A 51 0.592 -7.611 -0.034 1.00 0.43 H new ATOM 0 HG2 MET A 51 0.741 -10.425 0.886 1.00 0.60 H new ATOM 0 HG3 MET A 51 1.665 -9.327 1.892 1.00 0.60 H new ATOM 0 HE1 MET A 51 -0.810 -7.149 3.641 1.00 2.50 H new ATOM 0 HE2 MET A 51 0.680 -8.113 3.773 1.00 2.50 H new ATOM 0 HE3 MET A 51 0.550 -6.841 2.536 1.00 2.50 H new ATOM 769 N ILE A 52 1.736 -7.589 -2.817 1.00 0.34 N ATOM 770 CA ILE A 52 1.679 -6.609 -3.888 1.00 0.33 C ATOM 771 C ILE A 52 1.085 -7.259 -5.138 1.00 0.33 C ATOM 772 O ILE A 52 0.324 -6.627 -5.870 1.00 0.33 O ATOM 773 CB ILE A 52 3.056 -5.983 -4.115 1.00 0.29 C ATOM 774 CG1 ILE A 52 4.110 -7.060 -4.384 1.00 0.26 C ATOM 775 CG2 ILE A 52 3.448 -5.078 -2.946 1.00 0.34 C ATOM 776 CD1 ILE A 52 4.116 -7.466 -5.859 1.00 0.32 C ATOM 0 H ILE A 52 2.643 -7.666 -2.357 1.00 0.34 H new ATOM 0 HA ILE A 52 1.021 -5.784 -3.615 1.00 0.33 H new ATOM 0 HB ILE A 52 3.002 -5.354 -5.004 1.00 0.29 H new ATOM 0 HG12 ILE A 52 5.095 -6.688 -4.102 1.00 0.26 H new ATOM 0 HG13 ILE A 52 3.909 -7.933 -3.764 1.00 0.26 H new ATOM 0 HG21 ILE A 52 4.431 -4.646 -3.134 1.00 0.34 H new ATOM 0 HG22 ILE A 52 2.714 -4.279 -2.843 1.00 0.34 H new ATOM 0 HG23 ILE A 52 3.478 -5.663 -2.027 1.00 0.34 H new ATOM 0 HD11 ILE A 52 4.874 -8.232 -6.022 1.00 0.32 H new ATOM 0 HD12 ILE A 52 3.137 -7.860 -6.132 1.00 0.32 H new ATOM 0 HD13 ILE A 52 4.341 -6.596 -6.475 1.00 0.32 H new ATOM 788 N ASN A 53 1.454 -8.515 -5.346 1.00 0.37 N ATOM 789 CA ASN A 53 0.967 -9.258 -6.495 1.00 0.38 C ATOM 790 C ASN A 53 -0.541 -9.473 -6.356 1.00 0.37 C ATOM 791 O ASN A 53 -1.262 -9.505 -7.353 1.00 0.38 O ATOM 792 CB ASN A 53 1.634 -10.632 -6.586 1.00 0.45 C ATOM 793 CG ASN A 53 2.584 -10.702 -7.784 1.00 1.22 C ATOM 794 OD1 ASN A 53 2.226 -10.404 -8.911 1.00 1.57 O ATOM 795 ND2 ASN A 53 3.811 -11.112 -7.478 1.00 2.18 N ATOM 0 H ASN A 53 2.085 -9.036 -4.737 1.00 0.37 H new ATOM 0 HA ASN A 53 1.201 -8.684 -7.391 1.00 0.38 H new ATOM 0 HB2 ASN A 53 2.185 -10.834 -5.668 1.00 0.45 H new ATOM 0 HB3 ASN A 53 0.871 -11.405 -6.677 1.00 0.45 H new ATOM 0 HD21 ASN A 53 4.519 -11.193 -8.208 1.00 2.18 H new ATOM 0 HD22 ASN A 53 4.045 -11.346 -6.513 1.00 2.18 H new ATOM 802 N GLU A 54 -0.974 -9.616 -5.112 1.00 0.37 N ATOM 803 CA GLU A 54 -2.384 -9.827 -4.830 1.00 0.40 C ATOM 804 C GLU A 54 -3.175 -8.543 -5.089 1.00 0.38 C ATOM 805 O GLU A 54 -4.087 -8.528 -5.914 1.00 0.41 O ATOM 806 CB GLU A 54 -2.588 -10.318 -3.395 1.00 0.46 C ATOM 807 CG GLU A 54 -4.077 -10.436 -3.063 1.00 0.46 C ATOM 808 CD GLU A 54 -4.607 -11.830 -3.405 1.00 0.84 C ATOM 809 OE1 GLU A 54 -4.289 -12.762 -2.636 1.00 1.49 O ATOM 810 OE2 GLU A 54 -5.317 -11.932 -4.429 1.00 1.97 O ATOM 0 H GLU A 54 -0.373 -9.590 -4.288 1.00 0.37 H new ATOM 0 HA GLU A 54 -2.757 -10.601 -5.500 1.00 0.40 H new ATOM 0 HB2 GLU A 54 -2.105 -11.287 -3.266 1.00 0.46 H new ATOM 0 HB3 GLU A 54 -2.110 -9.628 -2.699 1.00 0.46 H new ATOM 0 HG2 GLU A 54 -4.234 -10.233 -2.004 1.00 0.46 H new ATOM 0 HG3 GLU A 54 -4.638 -9.684 -3.618 1.00 0.46 H new ATOM 817 N VAL A 55 -2.798 -7.498 -4.368 1.00 0.35 N ATOM 818 CA VAL A 55 -3.461 -6.213 -4.509 1.00 0.35 C ATOM 819 C VAL A 55 -3.407 -5.774 -5.973 1.00 0.35 C ATOM 820 O VAL A 55 -4.407 -5.317 -6.525 1.00 0.46 O ATOM 821 CB VAL A 55 -2.834 -5.193 -3.556 1.00 0.35 C ATOM 822 CG1 VAL A 55 -2.751 -5.751 -2.133 1.00 0.37 C ATOM 823 CG2 VAL A 55 -1.455 -4.753 -4.053 1.00 0.34 C ATOM 0 H VAL A 55 -2.041 -7.515 -3.684 1.00 0.35 H new ATOM 0 HA VAL A 55 -4.512 -6.294 -4.232 1.00 0.35 H new ATOM 0 HB VAL A 55 -3.479 -4.314 -3.535 1.00 0.35 H new ATOM 0 HG11 VAL A 55 -2.302 -5.006 -1.476 1.00 0.37 H new ATOM 0 HG12 VAL A 55 -3.753 -5.991 -1.777 1.00 0.37 H new ATOM 0 HG13 VAL A 55 -2.139 -6.653 -2.131 1.00 0.37 H new ATOM 0 HG21 VAL A 55 -1.032 -4.028 -3.358 1.00 0.34 H new ATOM 0 HG22 VAL A 55 -0.798 -5.620 -4.118 1.00 0.34 H new ATOM 0 HG23 VAL A 55 -1.552 -4.297 -5.038 1.00 0.34 H new ATOM 833 N ASP A 56 -2.229 -5.928 -6.561 1.00 0.29 N ATOM 834 CA ASP A 56 -2.032 -5.553 -7.951 1.00 0.30 C ATOM 835 C ASP A 56 -3.057 -6.282 -8.822 1.00 0.39 C ATOM 836 O ASP A 56 -2.960 -7.492 -9.021 1.00 0.47 O ATOM 837 CB ASP A 56 -0.635 -5.947 -8.435 1.00 0.34 C ATOM 838 CG ASP A 56 -0.347 -5.632 -9.904 1.00 0.44 C ATOM 839 OD1 ASP A 56 -0.267 -4.425 -10.220 1.00 0.48 O ATOM 840 OD2 ASP A 56 -0.212 -6.604 -10.677 1.00 0.81 O ATOM 0 H ASP A 56 -1.402 -6.307 -6.100 1.00 0.29 H new ATOM 0 HA ASP A 56 -2.149 -4.472 -8.028 1.00 0.30 H new ATOM 0 HB2 ASP A 56 0.104 -5.436 -7.818 1.00 0.34 H new ATOM 0 HB3 ASP A 56 -0.500 -7.017 -8.275 1.00 0.34 H new ATOM 845 N ALA A 57 -4.017 -5.515 -9.317 1.00 0.47 N ATOM 846 CA ALA A 57 -5.060 -6.072 -10.162 1.00 0.60 C ATOM 847 C ALA A 57 -4.792 -5.685 -11.618 1.00 0.55 C ATOM 848 O ALA A 57 -4.903 -6.518 -12.516 1.00 0.58 O ATOM 849 CB ALA A 57 -6.427 -5.589 -9.672 1.00 0.77 C ATOM 0 H ALA A 57 -4.095 -4.512 -9.149 1.00 0.47 H new ATOM 0 HA ALA A 57 -5.060 -7.161 -10.105 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -7.209 -6.007 -10.306 1.00 0.77 H new ATOM 0 HB2 ALA A 57 -6.581 -5.915 -8.643 1.00 0.77 H new ATOM 0 HB3 ALA A 57 -6.466 -4.501 -9.717 1.00 0.77 H new ATOM 855 N ASP A 58 -4.445 -4.420 -11.806 1.00 0.55 N ATOM 856 CA ASP A 58 -4.160 -3.913 -13.137 1.00 0.56 C ATOM 857 C ASP A 58 -3.234 -4.890 -13.864 1.00 0.56 C ATOM 858 O ASP A 58 -3.265 -4.986 -15.090 1.00 0.64 O ATOM 859 CB ASP A 58 -3.457 -2.556 -13.071 1.00 0.58 C ATOM 860 CG ASP A 58 -2.471 -2.394 -11.912 1.00 0.87 C ATOM 861 OD1 ASP A 58 -2.175 -3.426 -11.272 1.00 1.71 O ATOM 862 OD2 ASP A 58 -2.036 -1.243 -11.693 1.00 2.04 O ATOM 0 H ASP A 58 -4.355 -3.732 -11.059 1.00 0.55 H new ATOM 0 HA ASP A 58 -5.107 -3.803 -13.665 1.00 0.56 H new ATOM 0 HB2 ASP A 58 -2.923 -2.394 -14.008 1.00 0.58 H new ATOM 0 HB3 ASP A 58 -4.214 -1.775 -12.996 1.00 0.58 H new ATOM 867 N GLY A 59 -2.431 -5.591 -13.077 1.00 0.53 N ATOM 868 CA GLY A 59 -1.498 -6.558 -13.630 1.00 0.59 C ATOM 869 C GLY A 59 -0.125 -5.924 -13.860 1.00 0.56 C ATOM 870 O GLY A 59 0.041 -5.105 -14.763 1.00 0.75 O ATOM 0 H GLY A 59 -2.407 -5.509 -12.061 1.00 0.53 H new ATOM 0 HA2 GLY A 59 -1.402 -7.406 -12.951 1.00 0.59 H new ATOM 0 HA3 GLY A 59 -1.886 -6.946 -14.572 1.00 0.59 H new ATOM 874 N ASP A 60 0.825 -6.326 -13.029 1.00 0.53 N ATOM 875 CA ASP A 60 2.178 -5.808 -13.131 1.00 0.52 C ATOM 876 C ASP A 60 2.985 -6.256 -11.910 1.00 0.49 C ATOM 877 O ASP A 60 3.939 -7.021 -12.040 1.00 0.61 O ATOM 878 CB ASP A 60 2.181 -4.278 -13.163 1.00 0.53 C ATOM 879 CG ASP A 60 1.112 -3.611 -12.295 1.00 0.83 C ATOM 880 OD1 ASP A 60 -0.054 -3.595 -12.744 1.00 2.27 O ATOM 881 OD2 ASP A 60 1.486 -3.132 -11.203 1.00 1.51 O ATOM 0 H ASP A 60 0.684 -7.005 -12.281 1.00 0.53 H new ATOM 0 HA ASP A 60 2.616 -6.190 -14.053 1.00 0.52 H new ATOM 0 HB2 ASP A 60 3.161 -3.925 -12.842 1.00 0.53 H new ATOM 0 HB3 ASP A 60 2.047 -3.951 -14.194 1.00 0.53 H new ATOM 886 N GLY A 61 2.572 -5.761 -10.753 1.00 0.43 N ATOM 887 CA GLY A 61 3.244 -6.101 -9.511 1.00 0.44 C ATOM 888 C GLY A 61 3.630 -4.841 -8.733 1.00 0.57 C ATOM 889 O GLY A 61 4.720 -4.765 -8.168 1.00 1.21 O ATOM 0 H GLY A 61 1.780 -5.127 -10.649 1.00 0.43 H new ATOM 0 HA2 GLY A 61 2.592 -6.725 -8.900 1.00 0.44 H new ATOM 0 HA3 GLY A 61 4.137 -6.688 -9.726 1.00 0.44 H new ATOM 893 N THR A 62 2.715 -3.883 -8.730 1.00 0.37 N ATOM 894 CA THR A 62 2.946 -2.630 -8.031 1.00 0.37 C ATOM 895 C THR A 62 1.675 -2.181 -7.306 1.00 0.29 C ATOM 896 O THR A 62 0.589 -2.692 -7.576 1.00 0.27 O ATOM 897 CB THR A 62 3.457 -1.608 -9.049 1.00 0.49 C ATOM 898 OG1 THR A 62 4.549 -2.268 -9.684 1.00 0.62 O ATOM 899 CG2 THR A 62 4.096 -0.388 -8.383 1.00 0.54 C ATOM 0 H THR A 62 1.812 -3.949 -9.200 1.00 0.37 H new ATOM 0 HA THR A 62 3.703 -2.744 -7.255 1.00 0.37 H new ATOM 0 HB THR A 62 2.633 -1.285 -9.684 1.00 0.49 H new ATOM 0 HG1 THR A 62 4.939 -1.677 -10.361 1.00 0.62 H new ATOM 0 HG21 THR A 62 4.442 0.306 -9.149 1.00 0.54 H new ATOM 0 HG22 THR A 62 3.360 0.108 -7.750 1.00 0.54 H new ATOM 0 HG23 THR A 62 4.942 -0.707 -7.774 1.00 0.54 H new ATOM 907 N ILE A 63 1.853 -1.231 -6.401 1.00 0.36 N ATOM 908 CA ILE A 63 0.735 -0.708 -5.635 1.00 0.33 C ATOM 909 C ILE A 63 0.261 0.604 -6.264 1.00 0.37 C ATOM 910 O ILE A 63 0.971 1.201 -7.071 1.00 0.60 O ATOM 911 CB ILE A 63 1.110 -0.581 -4.157 1.00 0.46 C ATOM 912 CG1 ILE A 63 1.614 -1.915 -3.603 1.00 0.42 C ATOM 913 CG2 ILE A 63 -0.059 -0.026 -3.340 1.00 0.68 C ATOM 914 CD1 ILE A 63 1.232 -2.076 -2.130 1.00 0.51 C ATOM 0 H ILE A 63 2.755 -0.809 -6.181 1.00 0.36 H new ATOM 0 HA ILE A 63 -0.106 -1.400 -5.668 1.00 0.33 H new ATOM 0 HB ILE A 63 1.929 0.133 -4.073 1.00 0.46 H new ATOM 0 HG12 ILE A 63 1.193 -2.736 -4.183 1.00 0.42 H new ATOM 0 HG13 ILE A 63 2.697 -1.971 -3.710 1.00 0.42 H new ATOM 0 HG21 ILE A 63 0.234 0.054 -2.293 1.00 0.68 H new ATOM 0 HG22 ILE A 63 -0.331 0.960 -3.717 1.00 0.68 H new ATOM 0 HG23 ILE A 63 -0.914 -0.696 -3.427 1.00 0.68 H new ATOM 0 HD11 ILE A 63 1.602 -3.032 -1.761 1.00 0.51 H new ATOM 0 HD12 ILE A 63 1.674 -1.267 -1.549 1.00 0.51 H new ATOM 0 HD13 ILE A 63 0.147 -2.044 -2.030 1.00 0.51 H new ATOM 926 N ASP A 64 -0.936 1.014 -5.870 1.00 0.37 N ATOM 927 CA ASP A 64 -1.513 2.243 -6.385 1.00 0.46 C ATOM 928 C ASP A 64 -2.456 2.837 -5.337 1.00 0.42 C ATOM 929 O ASP A 64 -2.930 2.128 -4.450 1.00 0.55 O ATOM 930 CB ASP A 64 -2.323 1.982 -7.656 1.00 0.55 C ATOM 931 CG ASP A 64 -2.363 3.145 -8.649 1.00 1.28 C ATOM 932 OD1 ASP A 64 -2.042 4.272 -8.215 1.00 2.30 O ATOM 933 OD2 ASP A 64 -2.713 2.880 -9.819 1.00 2.39 O ATOM 0 H ASP A 64 -1.522 0.516 -5.200 1.00 0.37 H new ATOM 0 HA ASP A 64 -0.697 2.929 -6.613 1.00 0.46 H new ATOM 0 HB2 ASP A 64 -1.909 1.109 -8.160 1.00 0.55 H new ATOM 0 HB3 ASP A 64 -3.345 1.731 -7.372 1.00 0.55 H new ATOM 938 N PHE A 65 -2.701 4.132 -5.473 1.00 0.40 N ATOM 939 CA PHE A 65 -3.579 4.829 -4.549 1.00 0.47 C ATOM 940 C PHE A 65 -4.914 4.096 -4.402 1.00 0.46 C ATOM 941 O PHE A 65 -5.364 3.837 -3.287 1.00 0.49 O ATOM 942 CB PHE A 65 -3.836 6.218 -5.137 1.00 0.56 C ATOM 943 CG PHE A 65 -3.560 7.367 -4.165 1.00 0.80 C ATOM 944 CD1 PHE A 65 -4.021 7.302 -2.887 1.00 0.40 C ATOM 945 CD2 PHE A 65 -2.854 8.453 -4.578 1.00 1.96 C ATOM 946 CE1 PHE A 65 -3.765 8.368 -1.985 1.00 0.40 C ATOM 947 CE2 PHE A 65 -2.598 9.519 -3.676 1.00 2.22 C ATOM 948 CZ PHE A 65 -3.058 9.454 -2.398 1.00 1.30 C ATOM 0 H PHE A 65 -2.306 4.717 -6.210 1.00 0.40 H new ATOM 0 HA PHE A 65 -3.114 4.883 -3.564 1.00 0.47 H new ATOM 0 HB2 PHE A 65 -3.213 6.347 -6.022 1.00 0.56 H new ATOM 0 HB3 PHE A 65 -4.874 6.276 -5.466 1.00 0.56 H new ATOM 0 HD1 PHE A 65 -4.582 6.439 -2.558 1.00 0.40 H new ATOM 0 HD2 PHE A 65 -2.488 8.505 -5.593 1.00 1.96 H new ATOM 0 HE1 PHE A 65 -4.132 8.317 -0.970 1.00 0.40 H new ATOM 0 HE2 PHE A 65 -2.038 10.382 -4.005 1.00 2.22 H new ATOM 0 HZ PHE A 65 -2.862 10.264 -1.711 1.00 1.30 H new ATOM 958 N PRO A 66 -5.524 3.773 -5.573 1.00 0.47 N ATOM 959 CA PRO A 66 -6.798 3.074 -5.585 1.00 0.55 C ATOM 960 C PRO A 66 -6.616 1.597 -5.233 1.00 0.53 C ATOM 961 O PRO A 66 -7.526 0.966 -4.696 1.00 0.66 O ATOM 962 CB PRO A 66 -7.350 3.287 -6.985 1.00 0.63 C ATOM 963 CG PRO A 66 -6.164 3.697 -7.843 1.00 0.55 C ATOM 964 CD PRO A 66 -5.020 4.063 -6.912 1.00 0.46 C ATOM 0 HA PRO A 66 -7.493 3.453 -4.835 1.00 0.55 H new ATOM 0 HB2 PRO A 66 -7.811 2.376 -7.366 1.00 0.63 H new ATOM 0 HB3 PRO A 66 -8.120 4.059 -6.988 1.00 0.63 H new ATOM 0 HG2 PRO A 66 -5.872 2.882 -8.505 1.00 0.55 H new ATOM 0 HG3 PRO A 66 -6.426 4.544 -8.477 1.00 0.55 H new ATOM 0 HD2 PRO A 66 -4.127 3.479 -7.134 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -4.747 5.113 -7.014 1.00 0.46 H new ATOM 972 N GLU A 67 -5.435 1.086 -5.549 1.00 0.44 N ATOM 973 CA GLU A 67 -5.123 -0.305 -5.272 1.00 0.44 C ATOM 974 C GLU A 67 -4.957 -0.523 -3.766 1.00 0.41 C ATOM 975 O GLU A 67 -5.691 -1.306 -3.165 1.00 0.54 O ATOM 976 CB GLU A 67 -3.869 -0.747 -6.030 1.00 0.40 C ATOM 977 CG GLU A 67 -4.213 -1.159 -7.463 1.00 0.44 C ATOM 978 CD GLU A 67 -2.963 -1.620 -8.215 1.00 0.45 C ATOM 979 OE1 GLU A 67 -2.046 -2.129 -7.534 1.00 1.59 O ATOM 980 OE2 GLU A 67 -2.952 -1.454 -9.454 1.00 1.59 O ATOM 0 H GLU A 67 -4.683 1.611 -5.994 1.00 0.44 H new ATOM 0 HA GLU A 67 -5.954 -0.919 -5.619 1.00 0.44 H new ATOM 0 HB2 GLU A 67 -3.143 0.066 -6.046 1.00 0.40 H new ATOM 0 HB3 GLU A 67 -3.400 -1.582 -5.510 1.00 0.40 H new ATOM 0 HG2 GLU A 67 -4.950 -1.962 -7.448 1.00 0.44 H new ATOM 0 HG3 GLU A 67 -4.668 -0.319 -7.988 1.00 0.44 H new ATOM 987 N PHE A 68 -3.990 0.184 -3.201 1.00 0.30 N ATOM 988 CA PHE A 68 -3.719 0.078 -1.778 1.00 0.30 C ATOM 989 C PHE A 68 -4.997 0.275 -0.960 1.00 0.31 C ATOM 990 O PHE A 68 -5.252 -0.466 -0.012 1.00 0.32 O ATOM 991 CB PHE A 68 -2.727 1.188 -1.427 1.00 0.32 C ATOM 992 CG PHE A 68 -1.910 0.916 -0.162 1.00 0.52 C ATOM 993 CD1 PHE A 68 -1.393 -0.322 0.060 1.00 1.25 C ATOM 994 CD2 PHE A 68 -1.700 1.913 0.739 1.00 0.32 C ATOM 995 CE1 PHE A 68 -0.634 -0.574 1.233 1.00 1.52 C ATOM 996 CE2 PHE A 68 -0.941 1.660 1.913 1.00 0.40 C ATOM 997 CZ PHE A 68 -0.424 0.422 2.135 1.00 1.02 C ATOM 0 H PHE A 68 -3.384 0.833 -3.703 1.00 0.30 H new ATOM 0 HA PHE A 68 -3.321 -0.910 -1.548 1.00 0.30 H new ATOM 0 HB2 PHE A 68 -2.044 1.329 -2.265 1.00 0.32 H new ATOM 0 HB3 PHE A 68 -3.273 2.123 -1.300 1.00 0.32 H new ATOM 0 HD1 PHE A 68 -1.560 -1.113 -0.656 1.00 1.25 H new ATOM 0 HD2 PHE A 68 -2.110 2.896 0.562 1.00 0.32 H new ATOM 0 HE1 PHE A 68 -0.223 -1.557 1.409 1.00 1.52 H new ATOM 0 HE2 PHE A 68 -0.775 2.451 2.629 1.00 0.40 H new ATOM 0 HZ PHE A 68 0.153 0.230 3.027 1.00 1.02 H new ATOM 1007 N LEU A 69 -5.767 1.277 -1.358 1.00 0.38 N ATOM 1008 CA LEU A 69 -7.013 1.581 -0.674 1.00 0.43 C ATOM 1009 C LEU A 69 -7.833 0.298 -0.523 1.00 0.36 C ATOM 1010 O LEU A 69 -8.388 0.034 0.542 1.00 0.37 O ATOM 1011 CB LEU A 69 -7.759 2.706 -1.394 1.00 0.64 C ATOM 1012 CG LEU A 69 -9.249 2.468 -1.647 1.00 0.94 C ATOM 1013 CD1 LEU A 69 -10.018 2.361 -0.328 1.00 1.79 C ATOM 1014 CD2 LEU A 69 -9.829 3.548 -2.562 1.00 1.62 C ATOM 0 H LEU A 69 -5.552 1.889 -2.145 1.00 0.38 H new ATOM 0 HA LEU A 69 -6.815 1.954 0.331 1.00 0.43 H new ATOM 0 HB2 LEU A 69 -7.651 3.619 -0.809 1.00 0.64 H new ATOM 0 HB3 LEU A 69 -7.272 2.883 -2.353 1.00 0.64 H new ATOM 0 HG LEU A 69 -9.360 1.515 -2.164 1.00 0.94 H new ATOM 0 HD11 LEU A 69 -11.075 2.192 -0.536 1.00 1.79 H new ATOM 0 HD12 LEU A 69 -9.625 1.529 0.256 1.00 1.79 H new ATOM 0 HD13 LEU A 69 -9.903 3.286 0.236 1.00 1.79 H new ATOM 0 HD21 LEU A 69 -10.889 3.355 -2.726 1.00 1.62 H new ATOM 0 HD22 LEU A 69 -9.706 4.525 -2.095 1.00 1.62 H new ATOM 0 HD23 LEU A 69 -9.306 3.534 -3.518 1.00 1.62 H new ATOM 1026 N THR A 70 -7.882 -0.466 -1.605 1.00 0.42 N ATOM 1027 CA THR A 70 -8.625 -1.715 -1.606 1.00 0.50 C ATOM 1028 C THR A 70 -7.966 -2.728 -0.667 1.00 0.46 C ATOM 1029 O THR A 70 -8.652 -3.423 0.081 1.00 0.57 O ATOM 1030 CB THR A 70 -8.726 -2.204 -3.052 1.00 0.65 C ATOM 1031 OG1 THR A 70 -9.771 -1.414 -3.613 1.00 0.74 O ATOM 1032 CG2 THR A 70 -9.249 -3.638 -3.150 1.00 0.76 C ATOM 0 H THR A 70 -7.419 -0.244 -2.487 1.00 0.42 H new ATOM 0 HA THR A 70 -9.636 -1.574 -1.224 1.00 0.50 H new ATOM 0 HB THR A 70 -7.746 -2.142 -3.525 1.00 0.65 H new ATOM 0 HG1 THR A 70 -9.903 -1.664 -4.551 1.00 0.74 H new ATOM 0 HG21 THR A 70 -9.301 -3.935 -4.197 1.00 0.76 H new ATOM 0 HG22 THR A 70 -8.576 -4.308 -2.616 1.00 0.76 H new ATOM 0 HG23 THR A 70 -10.243 -3.694 -2.707 1.00 0.76 H new ATOM 1040 N MET A 71 -6.644 -2.778 -0.737 1.00 0.41 N ATOM 1041 CA MET A 71 -5.885 -3.694 0.098 1.00 0.47 C ATOM 1042 C MET A 71 -6.245 -3.517 1.574 1.00 0.48 C ATOM 1043 O MET A 71 -6.718 -4.453 2.218 1.00 0.60 O ATOM 1044 CB MET A 71 -4.389 -3.442 -0.097 1.00 0.47 C ATOM 1045 CG MET A 71 -3.568 -4.156 0.979 1.00 0.52 C ATOM 1046 SD MET A 71 -2.940 -2.970 2.156 1.00 2.27 S ATOM 1047 CE MET A 71 -1.810 -4.008 3.068 1.00 2.31 C ATOM 0 H MET A 71 -6.079 -2.199 -1.359 1.00 0.41 H new ATOM 0 HA MET A 71 -6.132 -4.714 -0.197 1.00 0.47 H new ATOM 0 HB2 MET A 71 -4.083 -3.790 -1.084 1.00 0.47 H new ATOM 0 HB3 MET A 71 -4.189 -2.371 -0.061 1.00 0.47 H new ATOM 0 HG2 MET A 71 -4.186 -4.895 1.489 1.00 0.52 H new ATOM 0 HG3 MET A 71 -2.741 -4.696 0.518 1.00 0.52 H new ATOM 0 HE1 MET A 71 -1.327 -3.421 3.849 1.00 2.31 H new ATOM 0 HE2 MET A 71 -2.359 -4.833 3.521 1.00 2.31 H new ATOM 0 HE3 MET A 71 -1.053 -4.404 2.391 1.00 2.31 H new ATOM 1057 N MET A 72 -6.009 -2.311 2.068 1.00 0.42 N ATOM 1058 CA MET A 72 -6.302 -1.999 3.456 1.00 0.49 C ATOM 1059 C MET A 72 -7.770 -2.282 3.783 1.00 0.49 C ATOM 1060 O MET A 72 -8.069 -3.100 4.652 1.00 0.61 O ATOM 1061 CB MET A 72 -5.994 -0.525 3.725 1.00 0.50 C ATOM 1062 CG MET A 72 -5.084 -0.368 4.945 1.00 1.12 C ATOM 1063 SD MET A 72 -3.971 1.006 4.704 1.00 2.53 S ATOM 1064 CE MET A 72 -4.002 1.721 6.340 1.00 2.91 C ATOM 0 H MET A 72 -5.618 -1.537 1.531 1.00 0.42 H new ATOM 0 HA MET A 72 -5.679 -2.630 4.090 1.00 0.49 H new ATOM 0 HB2 MET A 72 -5.515 -0.085 2.851 1.00 0.50 H new ATOM 0 HB3 MET A 72 -6.924 0.020 3.888 1.00 0.50 H new ATOM 0 HG2 MET A 72 -5.686 -0.207 5.839 1.00 1.12 H new ATOM 0 HG3 MET A 72 -4.515 -1.284 5.105 1.00 1.12 H new ATOM 0 HE1 MET A 72 -3.354 2.597 6.366 1.00 2.91 H new ATOM 0 HE2 MET A 72 -5.021 2.015 6.589 1.00 2.91 H new ATOM 0 HE3 MET A 72 -3.649 0.987 7.065 1.00 2.91 H new ATOM 1074 N ALA A 73 -8.646 -1.590 3.070 1.00 0.40 N ATOM 1075 CA ALA A 73 -10.075 -1.757 3.274 1.00 0.47 C ATOM 1076 C ALA A 73 -10.394 -3.246 3.421 1.00 0.58 C ATOM 1077 O ALA A 73 -10.955 -3.667 4.432 1.00 0.67 O ATOM 1078 CB ALA A 73 -10.835 -1.110 2.114 1.00 0.46 C ATOM 0 H ALA A 73 -8.394 -0.912 2.350 1.00 0.40 H new ATOM 0 HA ALA A 73 -10.393 -1.260 4.190 1.00 0.47 H new ATOM 0 HB1 ALA A 73 -11.907 -1.235 2.267 1.00 0.46 H new ATOM 0 HB2 ALA A 73 -10.596 -0.047 2.070 1.00 0.46 H new ATOM 0 HB3 ALA A 73 -10.544 -1.586 1.178 1.00 0.46 H new ATOM 1084 N ARG A 74 -10.024 -4.002 2.398 1.00 0.60 N ATOM 1085 CA ARG A 74 -10.264 -5.435 2.402 1.00 0.74 C ATOM 1086 C ARG A 74 -9.529 -6.094 3.571 1.00 0.79 C ATOM 1087 O ARG A 74 -10.026 -7.053 4.160 1.00 0.93 O ATOM 1088 CB ARG A 74 -9.800 -6.075 1.092 1.00 0.79 C ATOM 1089 CG ARG A 74 -10.713 -5.673 -0.068 1.00 0.83 C ATOM 1090 CD ARG A 74 -11.653 -6.819 -0.448 1.00 1.09 C ATOM 1091 NE ARG A 74 -12.948 -6.277 -0.918 1.00 2.18 N ATOM 1092 CZ ARG A 74 -13.913 -7.018 -1.479 1.00 2.94 C ATOM 1093 NH1 ARG A 74 -13.736 -8.337 -1.643 1.00 3.21 N ATOM 1094 NH2 ARG A 74 -15.055 -6.441 -1.876 1.00 4.14 N ATOM 0 H ARG A 74 -9.560 -3.649 1.561 1.00 0.60 H new ATOM 0 HA ARG A 74 -11.338 -5.590 2.509 1.00 0.74 H new ATOM 0 HB2 ARG A 74 -8.776 -5.769 0.876 1.00 0.79 H new ATOM 0 HB3 ARG A 74 -9.794 -7.160 1.195 1.00 0.79 H new ATOM 0 HG2 ARG A 74 -11.297 -4.796 0.211 1.00 0.83 H new ATOM 0 HG3 ARG A 74 -10.109 -5.392 -0.931 1.00 0.83 H new ATOM 0 HD2 ARG A 74 -11.199 -7.428 -1.230 1.00 1.09 H new ATOM 0 HD3 ARG A 74 -11.812 -7.470 0.412 1.00 1.09 H new ATOM 0 HE ARG A 74 -13.116 -5.277 -0.808 1.00 2.18 H new ATOM 0 HH11 ARG A 74 -12.867 -8.776 -1.341 1.00 3.21 H new ATOM 0 HH12 ARG A 74 -14.471 -8.901 -2.070 1.00 3.21 H new ATOM 0 HH21 ARG A 74 -15.190 -5.438 -1.751 1.00 4.14 H new ATOM 0 HH22 ARG A 74 -15.790 -7.005 -2.303 1.00 4.14 H new ATOM 1108 N LYS A 75 -8.358 -5.553 3.873 1.00 0.72 N ATOM 1109 CA LYS A 75 -7.550 -6.076 4.961 1.00 0.82 C ATOM 1110 C LYS A 75 -8.334 -5.967 6.271 1.00 0.82 C ATOM 1111 O LYS A 75 -8.586 -6.972 6.934 1.00 0.96 O ATOM 1112 CB LYS A 75 -6.188 -5.380 5.000 1.00 0.93 C ATOM 1113 CG LYS A 75 -5.218 -6.124 5.920 1.00 0.95 C ATOM 1114 CD LYS A 75 -4.590 -7.320 5.202 1.00 1.64 C ATOM 1115 CE LYS A 75 -5.500 -8.548 5.282 1.00 1.77 C ATOM 1116 NZ LYS A 75 -4.697 -9.776 5.471 1.00 2.48 N ATOM 0 H LYS A 75 -7.949 -4.757 3.383 1.00 0.72 H new ATOM 0 HA LYS A 75 -7.337 -7.133 4.803 1.00 0.82 H new ATOM 0 HB2 LYS A 75 -5.773 -5.329 3.993 1.00 0.93 H new ATOM 0 HB3 LYS A 75 -6.310 -4.354 5.347 1.00 0.93 H new ATOM 0 HG2 LYS A 75 -4.435 -5.444 6.255 1.00 0.95 H new ATOM 0 HG3 LYS A 75 -5.745 -6.466 6.811 1.00 0.95 H new ATOM 0 HD2 LYS A 75 -4.407 -7.066 4.158 1.00 1.64 H new ATOM 0 HD3 LYS A 75 -3.623 -7.550 5.649 1.00 1.64 H new ATOM 0 HE2 LYS A 75 -6.202 -8.435 6.108 1.00 1.77 H new ATOM 0 HE3 LYS A 75 -6.091 -8.630 4.370 1.00 1.77 H new ATOM 0 HZ1 LYS A 75 -5.330 -10.600 5.523 1.00 2.48 H new ATOM 0 HZ2 LYS A 75 -4.044 -9.891 4.669 1.00 2.48 H new ATOM 0 HZ3 LYS A 75 -4.152 -9.702 6.353 1.00 2.48 H new ATOM 1130 N MET A 76 -8.699 -4.737 6.604 1.00 0.80 N ATOM 1131 CA MET A 76 -9.449 -4.484 7.823 1.00 0.96 C ATOM 1132 C MET A 76 -10.783 -5.233 7.811 1.00 1.15 C ATOM 1133 O MET A 76 -11.280 -5.638 8.860 1.00 1.38 O ATOM 1134 CB MET A 76 -9.708 -2.982 7.960 1.00 1.17 C ATOM 1135 CG MET A 76 -10.477 -2.446 6.751 1.00 2.02 C ATOM 1136 SD MET A 76 -11.065 -0.794 7.086 1.00 2.86 S ATOM 1137 CE MET A 76 -12.406 -1.162 8.205 1.00 3.39 C ATOM 0 H MET A 76 -8.489 -3.906 6.051 1.00 0.80 H new ATOM 0 HA MET A 76 -8.862 -4.839 8.670 1.00 0.96 H new ATOM 0 HB2 MET A 76 -10.275 -2.789 8.871 1.00 1.17 H new ATOM 0 HB3 MET A 76 -8.760 -2.453 8.056 1.00 1.17 H new ATOM 0 HG2 MET A 76 -9.832 -2.440 5.872 1.00 2.02 H new ATOM 0 HG3 MET A 76 -11.318 -3.101 6.525 1.00 2.02 H new ATOM 0 HE1 MET A 76 -12.689 -0.258 8.744 1.00 3.39 H new ATOM 0 HE2 MET A 76 -13.262 -1.529 7.639 1.00 3.39 H new ATOM 0 HE3 MET A 76 -12.088 -1.924 8.916 1.00 3.39 H new ATOM 1147 N LYS A 77 -11.324 -5.394 6.613 1.00 1.14 N ATOM 1148 CA LYS A 77 -12.590 -6.088 6.450 1.00 1.44 C ATOM 1149 C LYS A 77 -12.449 -7.524 6.958 1.00 1.57 C ATOM 1150 O LYS A 77 -13.156 -7.933 7.878 1.00 1.87 O ATOM 1151 CB LYS A 77 -13.072 -5.992 5.001 1.00 1.45 C ATOM 1152 CG LYS A 77 -14.462 -6.613 4.843 1.00 1.28 C ATOM 1153 CD LYS A 77 -14.829 -6.765 3.366 1.00 1.52 C ATOM 1154 CE LYS A 77 -16.100 -5.982 3.033 1.00 1.81 C ATOM 1155 NZ LYS A 77 -17.299 -6.825 3.243 1.00 2.61 N ATOM 0 H LYS A 77 -10.909 -5.056 5.745 1.00 1.14 H new ATOM 0 HA LYS A 77 -13.365 -5.612 7.051 1.00 1.44 H new ATOM 0 HB2 LYS A 77 -13.099 -4.947 4.692 1.00 1.45 H new ATOM 0 HB3 LYS A 77 -12.366 -6.501 4.345 1.00 1.45 H new ATOM 0 HG2 LYS A 77 -14.486 -7.588 5.330 1.00 1.28 H new ATOM 0 HG3 LYS A 77 -15.202 -5.989 5.343 1.00 1.28 H new ATOM 0 HD2 LYS A 77 -14.006 -6.411 2.745 1.00 1.52 H new ATOM 0 HD3 LYS A 77 -14.975 -7.819 3.131 1.00 1.52 H new ATOM 0 HE2 LYS A 77 -16.160 -5.092 3.659 1.00 1.81 H new ATOM 0 HE3 LYS A 77 -16.064 -5.642 1.998 1.00 1.81 H new ATOM 0 HZ1 LYS A 77 -18.153 -6.278 3.012 1.00 2.61 H new ATOM 0 HZ2 LYS A 77 -17.247 -7.662 2.628 1.00 2.61 H new ATOM 0 HZ3 LYS A 77 -17.340 -7.128 4.237 1.00 2.61 H new ATOM 1169 N ASP A 78 -11.532 -8.250 6.336 1.00 1.47 N ATOM 1170 CA ASP A 78 -11.289 -9.632 6.714 1.00 1.75 C ATOM 1171 C ASP A 78 -11.061 -9.711 8.224 1.00 1.81 C ATOM 1172 O ASP A 78 -11.815 -10.372 8.936 1.00 2.12 O ATOM 1173 CB ASP A 78 -10.043 -10.182 6.017 1.00 1.77 C ATOM 1174 CG ASP A 78 -10.320 -11.147 4.863 1.00 2.42 C ATOM 1175 OD1 ASP A 78 -11.256 -11.962 5.016 1.00 3.42 O ATOM 1176 OD2 ASP A 78 -9.590 -11.049 3.853 1.00 2.68 O ATOM 0 H ASP A 78 -10.948 -7.907 5.573 1.00 1.47 H new ATOM 0 HA ASP A 78 -12.157 -10.221 6.418 1.00 1.75 H new ATOM 0 HB2 ASP A 78 -9.458 -9.344 5.638 1.00 1.77 H new ATOM 0 HB3 ASP A 78 -9.427 -10.692 6.757 1.00 1.77 H new ATOM 1181 N THR A 79 -10.016 -9.028 8.669 1.00 1.56 N ATOM 1182 CA THR A 79 -9.679 -9.012 10.082 1.00 1.65 C ATOM 1183 C THR A 79 -10.830 -8.423 10.899 1.00 1.78 C ATOM 1184 O THR A 79 -11.048 -8.814 12.045 1.00 2.03 O ATOM 1185 CB THR A 79 -8.364 -8.248 10.246 1.00 1.45 C ATOM 1186 OG1 THR A 79 -7.953 -8.546 11.578 1.00 1.93 O ATOM 1187 CG2 THR A 79 -8.564 -6.731 10.248 1.00 1.62 C ATOM 0 H THR A 79 -9.392 -8.482 8.075 1.00 1.56 H new ATOM 0 HA THR A 79 -9.535 -10.022 10.465 1.00 1.65 H new ATOM 0 HB THR A 79 -7.682 -8.523 9.441 1.00 1.45 H new ATOM 0 HG1 THR A 79 -7.106 -8.091 11.768 1.00 1.93 H new ATOM 0 HG21 THR A 79 -7.600 -6.237 10.367 1.00 1.62 H new ATOM 0 HG22 THR A 79 -9.016 -6.422 9.305 1.00 1.62 H new ATOM 0 HG23 THR A 79 -9.219 -6.451 11.073 1.00 1.62 H new