USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 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 36 MET CE :methyl 171:sc= 0 (180deg=-0.0644) USER MOD Set 1.2: A 51 MET CE :methyl -169:sc= -0.0285 (180deg=-0.0632) USER MOD Set 1.3: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 75 LYS NZ :NH3+ 178:sc= 0 (180deg=0) USER MOD Set 2.1: A 8 GLN : amide:sc= -1.66 K(o=-1.8,f=-7.1!) USER MOD Set 2.2: A 72 MET CE :methyl -112:sc= -0.126 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 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+ -160:sc= -2! (180deg=-2.23!) USER MOD Single : A 26 THR OG1 : rot 44:sc= -0.801 USER MOD Single : A 28 THR OG1 : rot 111:sc= 0.2 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 105:sc= 1.02 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.098) USER MOD Single : A 42 ASN : amide:sc= -0.435 X(o=-0.44,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.055 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 53 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) 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 -16.845 5.133 3.905 1.00 1.17 N ATOM 41 CA LEU A 4 -15.579 4.686 4.461 1.00 0.81 C ATOM 42 C LEU A 4 -14.430 5.278 3.643 1.00 0.69 C ATOM 43 O LEU A 4 -13.500 5.857 4.201 1.00 0.73 O ATOM 44 CB LEU A 4 -15.544 3.159 4.555 1.00 1.32 C ATOM 45 CG LEU A 4 -14.162 2.530 4.736 1.00 0.91 C ATOM 46 CD1 LEU A 4 -13.405 2.475 3.408 1.00 2.15 C ATOM 47 CD2 LEU A 4 -13.365 3.260 5.819 1.00 2.11 C ATOM 0 HA LEU A 4 -15.463 5.048 5.483 1.00 0.81 H new ATOM 0 HB2 LEU A 4 -16.173 2.852 5.390 1.00 1.32 H new ATOM 0 HB3 LEU A 4 -15.992 2.749 3.650 1.00 1.32 H new ATOM 0 HG LEU A 4 -14.297 1.502 5.072 1.00 0.91 H new ATOM 0 HD11 LEU A 4 -12.426 2.023 3.566 1.00 2.15 H new ATOM 0 HD12 LEU A 4 -13.969 1.877 2.692 1.00 2.15 H new ATOM 0 HD13 LEU A 4 -13.280 3.485 3.018 1.00 2.15 H new ATOM 0 HD21 LEU A 4 -12.386 2.793 5.928 1.00 2.11 H new ATOM 0 HD22 LEU A 4 -13.239 4.305 5.536 1.00 2.11 H new ATOM 0 HD23 LEU A 4 -13.901 3.203 6.766 1.00 2.11 H new ATOM 59 N THR A 5 -14.533 5.113 2.332 1.00 0.77 N ATOM 60 CA THR A 5 -13.513 5.624 1.431 1.00 0.74 C ATOM 61 C THR A 5 -13.333 7.130 1.630 1.00 0.67 C ATOM 62 O THR A 5 -12.276 7.678 1.322 1.00 0.71 O ATOM 63 CB THR A 5 -13.909 5.242 0.004 1.00 0.90 C ATOM 64 OG1 THR A 5 -13.410 3.917 -0.152 1.00 1.63 O ATOM 65 CG2 THR A 5 -13.153 6.052 -1.050 1.00 1.76 C ATOM 0 H THR A 5 -15.307 4.633 1.872 1.00 0.77 H new ATOM 0 HA THR A 5 -12.540 5.181 1.643 1.00 0.74 H new ATOM 0 HB THR A 5 -14.981 5.388 -0.126 1.00 0.90 H new ATOM 0 HG1 THR A 5 -13.625 3.590 -1.051 1.00 1.63 H new ATOM 0 HG21 THR A 5 -13.472 5.741 -2.045 1.00 1.76 H new ATOM 0 HG22 THR A 5 -13.366 7.113 -0.915 1.00 1.76 H new ATOM 0 HG23 THR A 5 -12.082 5.880 -0.942 1.00 1.76 H new ATOM 73 N GLU A 6 -14.382 7.757 2.142 1.00 0.65 N ATOM 74 CA GLU A 6 -14.353 9.189 2.385 1.00 0.65 C ATOM 75 C GLU A 6 -13.338 9.521 3.481 1.00 0.57 C ATOM 76 O GLU A 6 -12.409 10.296 3.257 1.00 0.55 O ATOM 77 CB GLU A 6 -15.744 9.712 2.750 1.00 0.78 C ATOM 78 CG GLU A 6 -15.694 11.198 3.111 1.00 1.04 C ATOM 79 CD GLU A 6 -17.038 11.875 2.834 1.00 1.57 C ATOM 80 OE1 GLU A 6 -18.031 11.442 3.457 1.00 2.08 O ATOM 81 OE2 GLU A 6 -17.042 12.810 2.004 1.00 2.56 O ATOM 0 H GLU A 6 -15.258 7.299 2.395 1.00 0.65 H new ATOM 0 HA GLU A 6 -14.043 9.687 1.466 1.00 0.65 H new ATOM 0 HB2 GLU A 6 -16.425 9.560 1.912 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -16.141 9.143 3.591 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -15.436 11.312 4.164 1.00 1.04 H new ATOM 0 HG3 GLU A 6 -14.910 11.690 2.535 1.00 1.04 H new ATOM 88 N GLU A 7 -13.550 8.919 4.642 1.00 0.58 N ATOM 89 CA GLU A 7 -12.665 9.141 5.773 1.00 0.60 C ATOM 90 C GLU A 7 -11.314 8.465 5.530 1.00 0.50 C ATOM 91 O GLU A 7 -10.294 8.901 6.061 1.00 0.47 O ATOM 92 CB GLU A 7 -13.301 8.644 7.072 1.00 0.76 C ATOM 93 CG GLU A 7 -13.628 7.152 6.988 1.00 0.78 C ATOM 94 CD GLU A 7 -13.392 6.462 8.333 1.00 1.18 C ATOM 95 OE1 GLU A 7 -12.231 6.497 8.793 1.00 2.10 O ATOM 96 OE2 GLU A 7 -14.380 5.915 8.871 1.00 1.57 O ATOM 0 H GLU A 7 -14.322 8.278 4.824 1.00 0.58 H new ATOM 0 HA GLU A 7 -12.499 10.213 5.875 1.00 0.60 H new ATOM 0 HB2 GLU A 7 -12.622 8.825 7.905 1.00 0.76 H new ATOM 0 HB3 GLU A 7 -14.211 9.208 7.274 1.00 0.76 H new ATOM 0 HG2 GLU A 7 -14.667 7.020 6.685 1.00 0.78 H new ATOM 0 HG3 GLU A 7 -13.011 6.683 6.222 1.00 0.78 H new ATOM 103 N GLN A 8 -11.351 7.411 4.728 1.00 0.58 N ATOM 104 CA GLN A 8 -10.142 6.671 4.409 1.00 0.53 C ATOM 105 C GLN A 8 -9.241 7.497 3.488 1.00 0.43 C ATOM 106 O GLN A 8 -8.112 7.824 3.849 1.00 0.50 O ATOM 107 CB GLN A 8 -10.478 5.318 3.778 1.00 0.60 C ATOM 108 CG GLN A 8 -10.208 4.174 4.757 1.00 1.38 C ATOM 109 CD GLN A 8 -8.710 4.039 5.042 1.00 1.89 C ATOM 110 OE1 GLN A 8 -7.999 5.011 5.233 1.00 2.73 O ATOM 111 NE2 GLN A 8 -8.274 2.783 5.060 1.00 2.60 N ATOM 0 H GLN A 8 -12.199 7.052 4.290 1.00 0.58 H new ATOM 0 HA GLN A 8 -9.602 6.479 5.336 1.00 0.53 H new ATOM 0 HB2 GLN A 8 -11.525 5.304 3.476 1.00 0.60 H new ATOM 0 HB3 GLN A 8 -9.884 5.176 2.875 1.00 0.60 H new ATOM 0 HG2 GLN A 8 -10.744 4.353 5.689 1.00 1.38 H new ATOM 0 HG3 GLN A 8 -10.589 3.240 4.345 1.00 1.38 H new ATOM 0 HE21 GLN A 8 -8.924 2.015 4.892 1.00 2.60 H new ATOM 0 HE22 GLN A 8 -7.290 2.587 5.242 1.00 2.60 H new ATOM 120 N ILE A 9 -9.775 7.810 2.316 1.00 0.41 N ATOM 121 CA ILE A 9 -9.034 8.591 1.341 1.00 0.41 C ATOM 122 C ILE A 9 -8.494 9.856 2.012 1.00 0.38 C ATOM 123 O ILE A 9 -7.415 10.334 1.666 1.00 0.45 O ATOM 124 CB ILE A 9 -9.897 8.869 0.109 1.00 0.59 C ATOM 125 CG1 ILE A 9 -11.076 9.779 0.459 1.00 1.85 C ATOM 126 CG2 ILE A 9 -10.354 7.564 -0.545 1.00 2.18 C ATOM 127 CD1 ILE A 9 -10.740 11.245 0.177 1.00 3.37 C ATOM 0 H ILE A 9 -10.712 7.537 2.020 1.00 0.41 H new ATOM 0 HA ILE A 9 -8.173 8.029 0.978 1.00 0.41 H new ATOM 0 HB ILE A 9 -9.288 9.400 -0.623 1.00 0.59 H new ATOM 0 HG12 ILE A 9 -11.951 9.485 -0.120 1.00 1.85 H new ATOM 0 HG13 ILE A 9 -11.334 9.657 1.511 1.00 1.85 H new ATOM 0 HG21 ILE A 9 -10.966 7.790 -1.418 1.00 2.18 H new ATOM 0 HG22 ILE A 9 -9.482 6.986 -0.852 1.00 2.18 H new ATOM 0 HG23 ILE A 9 -10.940 6.985 0.169 1.00 2.18 H new ATOM 0 HD11 ILE A 9 -11.595 11.870 0.434 1.00 3.37 H new ATOM 0 HD12 ILE A 9 -9.879 11.543 0.776 1.00 3.37 H new ATOM 0 HD13 ILE A 9 -10.506 11.368 -0.881 1.00 3.37 H new ATOM 139 N ALA A 10 -9.269 10.362 2.959 1.00 0.45 N ATOM 140 CA ALA A 10 -8.883 11.562 3.682 1.00 0.49 C ATOM 141 C ALA A 10 -7.466 11.387 4.231 1.00 0.49 C ATOM 142 O ALA A 10 -6.567 12.158 3.898 1.00 0.55 O ATOM 143 CB ALA A 10 -9.905 11.846 4.784 1.00 0.55 C ATOM 0 H ALA A 10 -10.164 9.963 3.243 1.00 0.45 H new ATOM 0 HA ALA A 10 -8.874 12.425 3.016 1.00 0.49 H new ATOM 0 HB1 ALA A 10 -9.615 12.746 5.326 1.00 0.55 H new ATOM 0 HB2 ALA A 10 -10.889 11.992 4.339 1.00 0.55 H new ATOM 0 HB3 ALA A 10 -9.940 11.003 5.474 1.00 0.55 H new ATOM 149 N GLU A 11 -7.310 10.369 5.064 1.00 0.51 N ATOM 150 CA GLU A 11 -6.017 10.083 5.663 1.00 0.60 C ATOM 151 C GLU A 11 -5.053 9.538 4.608 1.00 0.50 C ATOM 152 O GLU A 11 -3.903 9.969 4.531 1.00 0.53 O ATOM 153 CB GLU A 11 -6.159 9.107 6.833 1.00 0.75 C ATOM 154 CG GLU A 11 -6.402 9.856 8.145 1.00 1.13 C ATOM 155 CD GLU A 11 -7.107 8.959 9.165 1.00 1.59 C ATOM 156 OE1 GLU A 11 -8.179 8.425 8.806 1.00 2.40 O ATOM 157 OE2 GLU A 11 -6.559 8.828 10.281 1.00 2.30 O ATOM 0 H GLU A 11 -8.058 9.732 5.339 1.00 0.51 H new ATOM 0 HA GLU A 11 -5.606 11.013 6.056 1.00 0.60 H new ATOM 0 HB2 GLU A 11 -6.986 8.423 6.642 1.00 0.75 H new ATOM 0 HB3 GLU A 11 -5.257 8.501 6.918 1.00 0.75 H new ATOM 0 HG2 GLU A 11 -5.452 10.200 8.553 1.00 1.13 H new ATOM 0 HG3 GLU A 11 -7.007 10.743 7.955 1.00 1.13 H new ATOM 164 N PHE A 12 -5.555 8.597 3.822 1.00 0.43 N ATOM 165 CA PHE A 12 -4.752 7.988 2.775 1.00 0.41 C ATOM 166 C PHE A 12 -4.091 9.056 1.901 1.00 0.34 C ATOM 167 O PHE A 12 -2.957 8.884 1.457 1.00 0.41 O ATOM 168 CB PHE A 12 -5.700 7.154 1.912 1.00 0.44 C ATOM 169 CG PHE A 12 -5.471 5.645 2.016 1.00 0.68 C ATOM 170 CD1 PHE A 12 -5.743 4.994 3.180 1.00 0.84 C ATOM 171 CD2 PHE A 12 -4.996 4.954 0.946 1.00 1.35 C ATOM 172 CE1 PHE A 12 -5.530 3.594 3.276 1.00 1.10 C ATOM 173 CE2 PHE A 12 -4.783 3.553 1.043 1.00 1.80 C ATOM 174 CZ PHE A 12 -5.055 2.903 2.206 1.00 1.52 C ATOM 0 H PHE A 12 -6.509 8.241 3.889 1.00 0.43 H new ATOM 0 HA PHE A 12 -3.963 7.379 3.217 1.00 0.41 H new ATOM 0 HB2 PHE A 12 -6.727 7.376 2.200 1.00 0.44 H new ATOM 0 HB3 PHE A 12 -5.589 7.457 0.871 1.00 0.44 H new ATOM 0 HD1 PHE A 12 -6.121 5.543 4.030 1.00 0.84 H new ATOM 0 HD2 PHE A 12 -4.781 5.470 0.022 1.00 1.35 H new ATOM 0 HE1 PHE A 12 -5.745 3.077 4.200 1.00 1.10 H new ATOM 0 HE2 PHE A 12 -4.405 3.004 0.193 1.00 1.80 H new ATOM 0 HZ PHE A 12 -4.894 1.838 2.280 1.00 1.52 H new ATOM 184 N LYS A 13 -4.829 10.134 1.680 1.00 0.33 N ATOM 185 CA LYS A 13 -4.329 11.229 0.866 1.00 0.36 C ATOM 186 C LYS A 13 -2.972 11.682 1.407 1.00 0.38 C ATOM 187 O LYS A 13 -1.971 11.645 0.693 1.00 0.40 O ATOM 188 CB LYS A 13 -5.365 12.352 0.785 1.00 0.42 C ATOM 189 CG LYS A 13 -5.010 13.346 -0.324 1.00 0.64 C ATOM 190 CD LYS A 13 -6.003 14.509 -0.355 1.00 1.65 C ATOM 191 CE LYS A 13 -7.018 14.333 -1.487 1.00 1.33 C ATOM 192 NZ LYS A 13 -6.558 15.030 -2.709 1.00 2.14 N ATOM 0 H LYS A 13 -5.769 10.273 2.050 1.00 0.33 H new ATOM 0 HA LYS A 13 -4.169 10.899 -0.161 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -6.352 11.929 0.597 1.00 0.42 H new ATOM 0 HB3 LYS A 13 -5.418 12.872 1.741 1.00 0.42 H new ATOM 0 HG2 LYS A 13 -4.002 13.728 -0.166 1.00 0.64 H new ATOM 0 HG3 LYS A 13 -5.010 12.837 -1.288 1.00 0.64 H new ATOM 0 HD2 LYS A 13 -6.525 14.572 0.600 1.00 1.65 H new ATOM 0 HD3 LYS A 13 -5.465 15.448 -0.487 1.00 1.65 H new ATOM 0 HE2 LYS A 13 -7.157 13.272 -1.697 1.00 1.33 H new ATOM 0 HE3 LYS A 13 -7.987 14.727 -1.179 1.00 1.33 H new ATOM 0 HZ1 LYS A 13 -7.258 14.900 -3.467 1.00 2.14 H new ATOM 0 HZ2 LYS A 13 -6.448 16.045 -2.509 1.00 2.14 H new ATOM 0 HZ3 LYS A 13 -5.644 14.635 -3.011 1.00 2.14 H new ATOM 206 N GLU A 14 -2.981 12.099 2.665 1.00 0.43 N ATOM 207 CA GLU A 14 -1.763 12.559 3.310 1.00 0.49 C ATOM 208 C GLU A 14 -0.807 11.386 3.536 1.00 0.48 C ATOM 209 O GLU A 14 0.408 11.538 3.412 1.00 0.53 O ATOM 210 CB GLU A 14 -2.076 13.272 4.627 1.00 0.62 C ATOM 211 CG GLU A 14 -0.956 14.245 5.003 1.00 1.32 C ATOM 212 CD GLU A 14 -1.526 15.595 5.440 1.00 2.03 C ATOM 213 OE1 GLU A 14 -2.441 15.576 6.291 1.00 2.27 O ATOM 214 OE2 GLU A 14 -1.034 16.617 4.913 1.00 3.39 O ATOM 0 H GLU A 14 -3.813 12.128 3.255 1.00 0.43 H new ATOM 0 HA GLU A 14 -1.276 13.278 2.652 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -3.018 13.813 4.537 1.00 0.62 H new ATOM 0 HB3 GLU A 14 -2.206 12.537 5.421 1.00 0.62 H new ATOM 0 HG2 GLU A 14 -0.357 13.821 5.809 1.00 1.32 H new ATOM 0 HG3 GLU A 14 -0.291 14.386 4.151 1.00 1.32 H new ATOM 221 N ALA A 15 -1.390 10.242 3.863 1.00 0.50 N ATOM 222 CA ALA A 15 -0.605 9.044 4.107 1.00 0.57 C ATOM 223 C ALA A 15 0.199 8.702 2.851 1.00 0.53 C ATOM 224 O ALA A 15 1.393 8.417 2.932 1.00 0.54 O ATOM 225 CB ALA A 15 -1.532 7.905 4.534 1.00 0.65 C ATOM 0 H ALA A 15 -2.397 10.119 3.965 1.00 0.50 H new ATOM 0 HA ALA A 15 0.105 9.208 4.918 1.00 0.57 H new ATOM 0 HB1 ALA A 15 -0.943 7.006 4.717 1.00 0.65 H new ATOM 0 HB2 ALA A 15 -2.058 8.186 5.446 1.00 0.65 H new ATOM 0 HB3 ALA A 15 -2.256 7.710 3.743 1.00 0.65 H new ATOM 231 N PHE A 16 -0.488 8.741 1.719 1.00 0.53 N ATOM 232 CA PHE A 16 0.148 8.439 0.447 1.00 0.56 C ATOM 233 C PHE A 16 1.583 8.967 0.413 1.00 0.52 C ATOM 234 O PHE A 16 2.501 8.254 0.010 1.00 0.62 O ATOM 235 CB PHE A 16 -0.668 9.142 -0.639 1.00 0.63 C ATOM 236 CG PHE A 16 -0.094 8.986 -2.048 1.00 0.83 C ATOM 237 CD1 PHE A 16 0.192 7.747 -2.533 1.00 0.73 C ATOM 238 CD2 PHE A 16 0.132 10.085 -2.817 1.00 1.42 C ATOM 239 CE1 PHE A 16 0.725 7.602 -3.841 1.00 1.00 C ATOM 240 CE2 PHE A 16 0.665 9.940 -4.125 1.00 1.70 C ATOM 241 CZ PHE A 16 0.951 8.701 -4.609 1.00 1.42 C ATOM 0 H PHE A 16 -1.478 8.977 1.656 1.00 0.53 H new ATOM 0 HA PHE A 16 0.183 7.360 0.295 1.00 0.56 H new ATOM 0 HB2 PHE A 16 -1.685 8.749 -0.627 1.00 0.63 H new ATOM 0 HB3 PHE A 16 -0.733 10.203 -0.400 1.00 0.63 H new ATOM 0 HD1 PHE A 16 0.014 6.874 -1.923 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -0.094 11.069 -2.432 1.00 1.42 H new ATOM 0 HE1 PHE A 16 0.951 6.619 -4.226 1.00 1.00 H new ATOM 0 HE2 PHE A 16 0.843 10.813 -4.735 1.00 1.70 H new ATOM 0 HZ PHE A 16 1.358 8.590 -5.603 1.00 1.42 H new ATOM 251 N SER A 17 1.732 10.212 0.840 1.00 0.46 N ATOM 252 CA SER A 17 3.041 10.844 0.863 1.00 0.45 C ATOM 253 C SER A 17 4.070 9.894 1.478 1.00 0.42 C ATOM 254 O SER A 17 5.159 9.716 0.935 1.00 0.46 O ATOM 255 CB SER A 17 3.003 12.161 1.640 1.00 0.48 C ATOM 256 OG SER A 17 2.121 13.108 1.043 1.00 1.93 O ATOM 0 H SER A 17 0.968 10.801 1.173 1.00 0.46 H new ATOM 0 HA SER A 17 3.331 11.068 -0.164 1.00 0.45 H new ATOM 0 HB2 SER A 17 2.687 11.968 2.665 1.00 0.48 H new ATOM 0 HB3 SER A 17 4.007 12.582 1.689 1.00 0.48 H new ATOM 0 HG SER A 17 2.124 13.935 1.569 1.00 1.93 H new ATOM 262 N LEU A 18 3.688 9.309 2.604 1.00 0.41 N ATOM 263 CA LEU A 18 4.564 8.381 3.300 1.00 0.44 C ATOM 264 C LEU A 18 4.706 7.102 2.473 1.00 0.42 C ATOM 265 O LEU A 18 5.807 6.745 2.058 1.00 0.46 O ATOM 266 CB LEU A 18 4.065 8.140 4.726 1.00 0.49 C ATOM 267 CG LEU A 18 4.244 9.302 5.705 1.00 0.55 C ATOM 268 CD1 LEU A 18 3.510 9.029 7.019 1.00 0.67 C ATOM 269 CD2 LEU A 18 5.726 9.607 5.929 1.00 0.53 C ATOM 0 H LEU A 18 2.784 9.460 3.052 1.00 0.41 H new ATOM 0 HA LEU A 18 5.563 8.805 3.404 1.00 0.44 H new ATOM 0 HB2 LEU A 18 3.005 7.889 4.681 1.00 0.49 H new ATOM 0 HB3 LEU A 18 4.582 7.269 5.128 1.00 0.49 H new ATOM 0 HG LEU A 18 3.795 10.192 5.264 1.00 0.55 H new ATOM 0 HD11 LEU A 18 3.653 9.870 7.697 1.00 0.67 H new ATOM 0 HD12 LEU A 18 2.446 8.899 6.821 1.00 0.67 H new ATOM 0 HD13 LEU A 18 3.907 8.123 7.476 1.00 0.67 H new ATOM 0 HD21 LEU A 18 5.825 10.437 6.629 1.00 0.53 H new ATOM 0 HD22 LEU A 18 6.221 8.726 6.338 1.00 0.53 H new ATOM 0 HD23 LEU A 18 6.190 9.876 4.980 1.00 0.53 H new ATOM 281 N PHE A 19 3.574 6.447 2.257 1.00 0.41 N ATOM 282 CA PHE A 19 3.558 5.215 1.487 1.00 0.44 C ATOM 283 C PHE A 19 4.434 5.338 0.238 1.00 0.44 C ATOM 284 O PHE A 19 5.191 4.424 -0.086 1.00 0.53 O ATOM 285 CB PHE A 19 2.110 4.974 1.058 1.00 0.48 C ATOM 286 CG PHE A 19 1.157 4.683 2.219 1.00 1.00 C ATOM 287 CD1 PHE A 19 1.602 4.003 3.309 1.00 1.54 C ATOM 288 CD2 PHE A 19 -0.135 5.103 2.160 1.00 2.13 C ATOM 289 CE1 PHE A 19 0.718 3.732 4.387 1.00 2.07 C ATOM 290 CE2 PHE A 19 -1.019 4.832 3.238 1.00 2.83 C ATOM 291 CZ PHE A 19 -0.574 4.152 4.329 1.00 2.50 C ATOM 0 H PHE A 19 2.662 6.746 2.602 1.00 0.41 H new ATOM 0 HA PHE A 19 3.945 4.394 2.091 1.00 0.44 H new ATOM 0 HB2 PHE A 19 1.751 5.850 0.518 1.00 0.48 H new ATOM 0 HB3 PHE A 19 2.083 4.137 0.361 1.00 0.48 H new ATOM 0 HD1 PHE A 19 2.628 3.669 3.355 1.00 1.54 H new ATOM 0 HD2 PHE A 19 -0.489 5.642 1.294 1.00 2.13 H new ATOM 0 HE1 PHE A 19 1.072 3.192 5.253 1.00 2.07 H new ATOM 0 HE2 PHE A 19 -2.045 5.166 3.192 1.00 2.83 H new ATOM 0 HZ PHE A 19 -1.246 3.946 5.149 1.00 2.50 H new ATOM 301 N ASP A 20 4.301 6.474 -0.430 1.00 0.42 N ATOM 302 CA ASP A 20 5.070 6.728 -1.636 1.00 0.48 C ATOM 303 C ASP A 20 6.445 7.280 -1.252 1.00 0.60 C ATOM 304 O ASP A 20 6.587 8.474 -0.993 1.00 0.99 O ATOM 305 CB ASP A 20 4.376 7.762 -2.524 1.00 0.63 C ATOM 306 CG ASP A 20 4.292 7.390 -4.006 1.00 0.66 C ATOM 307 OD1 ASP A 20 4.787 6.293 -4.344 1.00 1.02 O ATOM 308 OD2 ASP A 20 3.735 8.211 -4.767 1.00 0.86 O ATOM 0 H ASP A 20 3.672 7.229 -0.159 1.00 0.42 H new ATOM 0 HA ASP A 20 5.162 5.789 -2.181 1.00 0.48 H new ATOM 0 HB2 ASP A 20 3.366 7.923 -2.147 1.00 0.63 H new ATOM 0 HB3 ASP A 20 4.905 8.711 -2.432 1.00 0.63 H new ATOM 313 N LYS A 21 7.421 6.385 -1.228 1.00 0.60 N ATOM 314 CA LYS A 21 8.779 6.768 -0.880 1.00 0.79 C ATOM 315 C LYS A 21 9.430 7.463 -2.077 1.00 0.71 C ATOM 316 O LYS A 21 9.922 8.584 -1.956 1.00 0.92 O ATOM 317 CB LYS A 21 9.563 5.557 -0.371 1.00 1.00 C ATOM 318 CG LYS A 21 8.726 4.736 0.613 1.00 0.88 C ATOM 319 CD LYS A 21 8.458 5.525 1.896 1.00 0.95 C ATOM 320 CE LYS A 21 7.403 4.828 2.758 1.00 1.21 C ATOM 321 NZ LYS A 21 7.075 5.651 3.943 1.00 1.82 N ATOM 0 H LYS A 21 7.299 5.396 -1.444 1.00 0.60 H new ATOM 0 HA LYS A 21 8.775 7.484 -0.058 1.00 0.79 H new ATOM 0 HB2 LYS A 21 9.859 4.931 -1.213 1.00 1.00 H new ATOM 0 HB3 LYS A 21 10.479 5.891 0.116 1.00 1.00 H new ATOM 0 HG2 LYS A 21 7.780 4.459 0.148 1.00 0.88 H new ATOM 0 HG3 LYS A 21 9.247 3.809 0.854 1.00 0.88 H new ATOM 0 HD2 LYS A 21 9.383 5.631 2.462 1.00 0.95 H new ATOM 0 HD3 LYS A 21 8.121 6.531 1.645 1.00 0.95 H new ATOM 0 HE2 LYS A 21 6.502 4.652 2.170 1.00 1.21 H new ATOM 0 HE3 LYS A 21 7.771 3.853 3.076 1.00 1.21 H new ATOM 0 HZ1 LYS A 21 6.639 5.051 4.672 1.00 1.82 H new ATOM 0 HZ2 LYS A 21 7.945 6.078 4.320 1.00 1.82 H new ATOM 0 HZ3 LYS A 21 6.410 6.403 3.670 1.00 1.82 H new ATOM 335 N ASP A 22 9.413 6.769 -3.206 1.00 0.65 N ATOM 336 CA ASP A 22 9.996 7.306 -4.424 1.00 0.62 C ATOM 337 C ASP A 22 9.342 8.650 -4.748 1.00 0.59 C ATOM 338 O ASP A 22 10.030 9.619 -5.065 1.00 0.66 O ATOM 339 CB ASP A 22 9.759 6.367 -5.608 1.00 0.72 C ATOM 340 CG ASP A 22 8.331 5.833 -5.734 1.00 2.01 C ATOM 341 OD1 ASP A 22 7.487 6.272 -4.923 1.00 3.91 O ATOM 342 OD2 ASP A 22 8.115 4.998 -6.639 1.00 2.01 O ATOM 0 H ASP A 22 9.005 5.839 -3.303 1.00 0.65 H new ATOM 0 HA ASP A 22 11.068 7.420 -4.263 1.00 0.62 H new ATOM 0 HB2 ASP A 22 10.016 6.893 -6.527 1.00 0.72 H new ATOM 0 HB3 ASP A 22 10.441 5.521 -5.524 1.00 0.72 H new ATOM 347 N GLY A 23 8.020 8.666 -4.657 1.00 0.62 N ATOM 348 CA GLY A 23 7.265 9.876 -4.936 1.00 0.66 C ATOM 349 C GLY A 23 7.086 10.074 -6.443 1.00 0.70 C ATOM 350 O GLY A 23 7.178 11.195 -6.940 1.00 0.81 O ATOM 0 H GLY A 23 7.452 7.860 -4.394 1.00 0.62 H new ATOM 0 HA2 GLY A 23 6.289 9.819 -4.454 1.00 0.66 H new ATOM 0 HA3 GLY A 23 7.781 10.737 -4.511 1.00 0.66 H new ATOM 354 N ASP A 24 6.833 8.968 -7.127 1.00 0.68 N ATOM 355 CA ASP A 24 6.639 9.006 -8.566 1.00 0.81 C ATOM 356 C ASP A 24 5.157 8.799 -8.883 1.00 0.83 C ATOM 357 O ASP A 24 4.715 9.059 -10.002 1.00 1.21 O ATOM 358 CB ASP A 24 7.431 7.895 -9.258 1.00 0.82 C ATOM 359 CG ASP A 24 7.171 6.486 -8.721 1.00 0.80 C ATOM 360 OD1 ASP A 24 6.455 6.390 -7.701 1.00 0.65 O ATOM 361 OD2 ASP A 24 7.696 5.536 -9.342 1.00 1.38 O ATOM 0 H ASP A 24 6.758 8.040 -6.711 1.00 0.68 H new ATOM 0 HA ASP A 24 6.985 9.974 -8.927 1.00 0.81 H new ATOM 0 HB2 ASP A 24 7.197 7.911 -10.322 1.00 0.82 H new ATOM 0 HB3 ASP A 24 8.495 8.114 -9.162 1.00 0.82 H new ATOM 366 N GLY A 25 4.429 8.333 -7.879 1.00 0.63 N ATOM 367 CA GLY A 25 3.006 8.088 -8.036 1.00 0.65 C ATOM 368 C GLY A 25 2.688 6.597 -7.903 1.00 0.60 C ATOM 369 O GLY A 25 1.539 6.188 -8.059 1.00 0.85 O ATOM 0 H GLY A 25 4.799 8.119 -6.953 1.00 0.63 H new ATOM 0 HA2 GLY A 25 2.452 8.650 -7.285 1.00 0.65 H new ATOM 0 HA3 GLY A 25 2.677 8.448 -9.011 1.00 0.65 H new ATOM 373 N THR A 26 3.727 5.827 -7.616 1.00 0.53 N ATOM 374 CA THR A 26 3.573 4.391 -7.460 1.00 0.47 C ATOM 375 C THR A 26 4.299 3.910 -6.202 1.00 0.43 C ATOM 376 O THR A 26 5.421 4.333 -5.929 1.00 0.49 O ATOM 377 CB THR A 26 4.071 3.720 -8.742 1.00 0.50 C ATOM 378 OG1 THR A 26 5.199 4.501 -9.127 1.00 1.15 O ATOM 379 CG2 THR A 26 3.091 3.882 -9.906 1.00 0.99 C ATOM 0 H THR A 26 4.679 6.171 -7.487 1.00 0.53 H new ATOM 0 HA THR A 26 2.527 4.119 -7.318 1.00 0.47 H new ATOM 0 HB THR A 26 4.240 2.660 -8.555 1.00 0.50 H new ATOM 0 HG1 THR A 26 5.749 4.691 -8.339 1.00 1.15 H new ATOM 0 HG21 THR A 26 3.492 3.388 -10.791 1.00 0.99 H new ATOM 0 HG22 THR A 26 2.134 3.432 -9.641 1.00 0.99 H new ATOM 0 HG23 THR A 26 2.947 4.942 -10.116 1.00 0.99 H new ATOM 387 N ILE A 27 3.629 3.032 -5.470 1.00 0.39 N ATOM 388 CA ILE A 27 4.196 2.490 -4.247 1.00 0.36 C ATOM 389 C ILE A 27 4.893 1.164 -4.558 1.00 0.38 C ATOM 390 O ILE A 27 4.303 0.096 -4.400 1.00 0.50 O ATOM 391 CB ILE A 27 3.123 2.381 -3.162 1.00 0.36 C ATOM 392 CG1 ILE A 27 2.882 3.735 -2.492 1.00 0.41 C ATOM 393 CG2 ILE A 27 3.480 1.294 -2.145 1.00 0.37 C ATOM 394 CD1 ILE A 27 2.048 4.650 -3.390 1.00 0.59 C ATOM 0 H ILE A 27 2.699 2.683 -5.700 1.00 0.39 H new ATOM 0 HA ILE A 27 4.954 3.163 -3.847 1.00 0.36 H new ATOM 0 HB ILE A 27 2.187 2.084 -3.635 1.00 0.36 H new ATOM 0 HG12 ILE A 27 2.370 3.588 -1.541 1.00 0.41 H new ATOM 0 HG13 ILE A 27 3.838 4.210 -2.270 1.00 0.41 H new ATOM 0 HG21 ILE A 27 2.701 1.237 -1.385 1.00 0.37 H new ATOM 0 HG22 ILE A 27 3.562 0.333 -2.653 1.00 0.37 H new ATOM 0 HG23 ILE A 27 4.432 1.537 -1.672 1.00 0.37 H new ATOM 0 HD11 ILE A 27 1.891 5.606 -2.890 1.00 0.59 H new ATOM 0 HD12 ILE A 27 2.574 4.814 -4.331 1.00 0.59 H new ATOM 0 HD13 ILE A 27 1.084 4.183 -3.590 1.00 0.59 H new ATOM 406 N THR A 28 6.139 1.275 -4.996 1.00 0.34 N ATOM 407 CA THR A 28 6.922 0.098 -5.330 1.00 0.37 C ATOM 408 C THR A 28 6.890 -0.909 -4.179 1.00 0.32 C ATOM 409 O THR A 28 6.731 -0.528 -3.020 1.00 0.31 O ATOM 410 CB THR A 28 8.335 0.559 -5.695 1.00 0.44 C ATOM 411 OG1 THR A 28 8.153 1.331 -6.879 1.00 0.62 O ATOM 412 CG2 THR A 28 9.232 -0.598 -6.138 1.00 0.46 C ATOM 0 H THR A 28 6.625 2.162 -5.127 1.00 0.34 H new ATOM 0 HA THR A 28 6.502 -0.425 -6.189 1.00 0.37 H new ATOM 0 HB THR A 28 8.786 1.060 -4.839 1.00 0.44 H new ATOM 0 HG1 THR A 28 8.326 2.276 -6.683 1.00 0.62 H new ATOM 0 HG21 THR A 28 10.223 -0.216 -6.385 1.00 0.46 H new ATOM 0 HG22 THR A 28 9.315 -1.325 -5.330 1.00 0.46 H new ATOM 0 HG23 THR A 28 8.799 -1.079 -7.015 1.00 0.46 H new ATOM 420 N THR A 29 7.044 -2.175 -4.538 1.00 0.37 N ATOM 421 CA THR A 29 7.034 -3.240 -3.550 1.00 0.37 C ATOM 422 C THR A 29 7.996 -2.914 -2.406 1.00 0.37 C ATOM 423 O THR A 29 7.626 -2.996 -1.236 1.00 0.38 O ATOM 424 CB THR A 29 7.363 -4.552 -4.265 1.00 0.39 C ATOM 425 OG1 THR A 29 8.717 -4.391 -4.680 1.00 0.42 O ATOM 426 CG2 THR A 29 6.588 -4.715 -5.574 1.00 0.45 C ATOM 0 H THR A 29 7.176 -2.487 -5.500 1.00 0.37 H new ATOM 0 HA THR A 29 6.052 -3.342 -3.089 1.00 0.37 H new ATOM 0 HB THR A 29 7.141 -5.391 -3.605 1.00 0.39 H new ATOM 0 HG1 THR A 29 9.013 -5.198 -5.151 1.00 0.42 H new ATOM 0 HG21 THR A 29 6.858 -5.662 -6.041 1.00 0.45 H new ATOM 0 HG22 THR A 29 5.518 -4.705 -5.367 1.00 0.45 H new ATOM 0 HG23 THR A 29 6.835 -3.895 -6.248 1.00 0.45 H new ATOM 434 N LYS A 30 9.213 -2.551 -2.784 1.00 0.48 N ATOM 435 CA LYS A 30 10.232 -2.213 -1.804 1.00 0.57 C ATOM 436 C LYS A 30 9.737 -1.049 -0.942 1.00 0.59 C ATOM 437 O LYS A 30 10.040 -0.981 0.248 1.00 0.68 O ATOM 438 CB LYS A 30 11.570 -1.942 -2.494 1.00 0.70 C ATOM 439 CG LYS A 30 11.596 -0.541 -3.108 1.00 0.99 C ATOM 440 CD LYS A 30 12.685 -0.431 -4.178 1.00 1.01 C ATOM 441 CE LYS A 30 14.053 -0.171 -3.544 1.00 2.01 C ATOM 442 NZ LYS A 30 14.559 1.164 -3.933 1.00 2.49 N ATOM 0 H LYS A 30 9.517 -2.483 -3.755 1.00 0.48 H new ATOM 0 HA LYS A 30 10.410 -3.054 -1.134 1.00 0.57 H new ATOM 0 HB2 LYS A 30 12.382 -2.042 -1.774 1.00 0.70 H new ATOM 0 HB3 LYS A 30 11.740 -2.687 -3.271 1.00 0.70 H new ATOM 0 HG2 LYS A 30 10.625 -0.315 -3.548 1.00 0.99 H new ATOM 0 HG3 LYS A 30 11.772 0.199 -2.327 1.00 0.99 H new ATOM 0 HD2 LYS A 30 12.720 -1.351 -4.762 1.00 1.01 H new ATOM 0 HD3 LYS A 30 12.441 0.376 -4.869 1.00 1.01 H new ATOM 0 HE2 LYS A 30 13.975 -0.235 -2.459 1.00 2.01 H new ATOM 0 HE3 LYS A 30 14.758 -0.940 -3.859 1.00 2.01 H new ATOM 0 HZ1 LYS A 30 15.488 1.324 -3.494 1.00 2.49 H new ATOM 0 HZ2 LYS A 30 14.652 1.212 -4.968 1.00 2.49 H new ATOM 0 HZ3 LYS A 30 13.893 1.895 -3.611 1.00 2.49 H new ATOM 456 N GLU A 31 8.984 -0.163 -1.577 1.00 0.55 N ATOM 457 CA GLU A 31 8.445 0.995 -0.883 1.00 0.59 C ATOM 458 C GLU A 31 7.355 0.564 0.100 1.00 0.47 C ATOM 459 O GLU A 31 7.175 1.188 1.145 1.00 0.51 O ATOM 460 CB GLU A 31 7.910 2.029 -1.876 1.00 0.69 C ATOM 461 CG GLU A 31 9.045 2.627 -2.710 1.00 0.97 C ATOM 462 CD GLU A 31 8.501 3.606 -3.753 1.00 0.94 C ATOM 463 OE1 GLU A 31 7.749 4.515 -3.340 1.00 1.81 O ATOM 464 OE2 GLU A 31 8.851 3.423 -4.939 1.00 2.16 O ATOM 0 H GLU A 31 8.734 -0.223 -2.564 1.00 0.55 H new ATOM 0 HA GLU A 31 9.251 1.464 -0.319 1.00 0.59 H new ATOM 0 HB2 GLU A 31 7.178 1.561 -2.534 1.00 0.69 H new ATOM 0 HB3 GLU A 31 7.393 2.823 -1.337 1.00 0.69 H new ATOM 0 HG2 GLU A 31 9.750 3.141 -2.056 1.00 0.97 H new ATOM 0 HG3 GLU A 31 9.595 1.829 -3.208 1.00 0.97 H new ATOM 471 N LEU A 32 6.657 -0.500 -0.268 1.00 0.37 N ATOM 472 CA LEU A 32 5.590 -1.022 0.569 1.00 0.33 C ATOM 473 C LEU A 32 6.170 -1.455 1.917 1.00 0.28 C ATOM 474 O LEU A 32 5.632 -1.110 2.968 1.00 0.39 O ATOM 475 CB LEU A 32 4.833 -2.134 -0.160 1.00 0.38 C ATOM 476 CG LEU A 32 3.933 -3.014 0.710 1.00 0.58 C ATOM 477 CD1 LEU A 32 2.711 -2.235 1.199 1.00 1.82 C ATOM 478 CD2 LEU A 32 3.539 -4.295 -0.029 1.00 2.41 C ATOM 0 H LEU A 32 6.810 -1.015 -1.135 1.00 0.37 H new ATOM 0 HA LEU A 32 4.852 -0.246 0.773 1.00 0.33 H new ATOM 0 HB2 LEU A 32 4.220 -1.679 -0.938 1.00 0.38 H new ATOM 0 HB3 LEU A 32 5.560 -2.774 -0.660 1.00 0.38 H new ATOM 0 HG LEU A 32 4.498 -3.313 1.593 1.00 0.58 H new ATOM 0 HD11 LEU A 32 2.088 -2.884 1.815 1.00 1.82 H new ATOM 0 HD12 LEU A 32 3.038 -1.379 1.789 1.00 1.82 H new ATOM 0 HD13 LEU A 32 2.135 -1.886 0.342 1.00 1.82 H new ATOM 0 HD21 LEU A 32 2.900 -4.902 0.611 1.00 2.41 H new ATOM 0 HD22 LEU A 32 3.000 -4.038 -0.941 1.00 2.41 H new ATOM 0 HD23 LEU A 32 4.436 -4.858 -0.285 1.00 2.41 H new ATOM 490 N GLY A 33 7.261 -2.203 1.843 1.00 0.28 N ATOM 491 CA GLY A 33 7.920 -2.686 3.044 1.00 0.35 C ATOM 492 C GLY A 33 8.644 -1.549 3.767 1.00 0.35 C ATOM 493 O GLY A 33 8.960 -1.663 4.951 1.00 0.45 O ATOM 0 H GLY A 33 7.705 -2.486 0.970 1.00 0.28 H new ATOM 0 HA2 GLY A 33 7.184 -3.136 3.711 1.00 0.35 H new ATOM 0 HA3 GLY A 33 8.633 -3.468 2.782 1.00 0.35 H new ATOM 497 N THR A 34 8.886 -0.478 3.025 1.00 0.32 N ATOM 498 CA THR A 34 9.567 0.679 3.581 1.00 0.36 C ATOM 499 C THR A 34 8.668 1.392 4.592 1.00 0.36 C ATOM 500 O THR A 34 9.095 1.692 5.706 1.00 0.50 O ATOM 501 CB THR A 34 10.005 1.573 2.419 1.00 0.45 C ATOM 502 OG1 THR A 34 10.949 0.779 1.706 1.00 0.58 O ATOM 503 CG2 THR A 34 10.814 2.785 2.886 1.00 0.46 C ATOM 0 H THR A 34 8.623 -0.387 2.044 1.00 0.32 H new ATOM 0 HA THR A 34 10.457 0.385 4.137 1.00 0.36 H new ATOM 0 HB THR A 34 9.126 1.912 1.871 1.00 0.45 H new ATOM 0 HG1 THR A 34 10.536 0.438 0.885 1.00 0.58 H new ATOM 0 HG21 THR A 34 11.100 3.386 2.023 1.00 0.46 H new ATOM 0 HG22 THR A 34 10.209 3.387 3.563 1.00 0.46 H new ATOM 0 HG23 THR A 34 11.711 2.446 3.405 1.00 0.46 H new ATOM 511 N VAL A 35 7.438 1.644 4.167 1.00 0.33 N ATOM 512 CA VAL A 35 6.474 2.317 5.022 1.00 0.42 C ATOM 513 C VAL A 35 6.100 1.396 6.185 1.00 0.47 C ATOM 514 O VAL A 35 6.039 1.834 7.333 1.00 0.59 O ATOM 515 CB VAL A 35 5.264 2.761 4.197 1.00 0.60 C ATOM 516 CG1 VAL A 35 4.441 1.556 3.740 1.00 1.92 C ATOM 517 CG2 VAL A 35 4.400 3.750 4.981 1.00 1.67 C ATOM 0 H VAL A 35 7.087 1.394 3.242 1.00 0.33 H new ATOM 0 HA VAL A 35 6.908 3.221 5.450 1.00 0.42 H new ATOM 0 HB VAL A 35 5.633 3.271 3.307 1.00 0.60 H new ATOM 0 HG11 VAL A 35 3.587 1.899 3.156 1.00 1.92 H new ATOM 0 HG12 VAL A 35 5.062 0.903 3.126 1.00 1.92 H new ATOM 0 HG13 VAL A 35 4.087 1.006 4.612 1.00 1.92 H new ATOM 0 HG21 VAL A 35 3.547 4.050 4.372 1.00 1.67 H new ATOM 0 HG22 VAL A 35 4.044 3.277 5.896 1.00 1.67 H new ATOM 0 HG23 VAL A 35 4.992 4.629 5.234 1.00 1.67 H new ATOM 527 N MET A 36 5.858 0.138 5.848 1.00 0.48 N ATOM 528 CA MET A 36 5.491 -0.848 6.850 1.00 0.61 C ATOM 529 C MET A 36 6.510 -0.875 7.991 1.00 0.60 C ATOM 530 O MET A 36 6.163 -0.623 9.144 1.00 0.63 O ATOM 531 CB MET A 36 5.415 -2.231 6.201 1.00 0.83 C ATOM 532 CG MET A 36 4.240 -2.314 5.223 1.00 0.96 C ATOM 533 SD MET A 36 2.705 -2.443 6.123 1.00 1.22 S ATOM 534 CE MET A 36 1.755 -3.428 4.977 1.00 2.03 C ATOM 0 H MET A 36 5.909 -0.221 4.895 1.00 0.48 H new ATOM 0 HA MET A 36 4.519 -0.576 7.262 1.00 0.61 H new ATOM 0 HB2 MET A 36 6.346 -2.442 5.675 1.00 0.83 H new ATOM 0 HB3 MET A 36 5.305 -2.993 6.972 1.00 0.83 H new ATOM 0 HG2 MET A 36 4.224 -1.430 4.585 1.00 0.96 H new ATOM 0 HG3 MET A 36 4.361 -3.177 4.569 1.00 0.96 H new ATOM 0 HE1 MET A 36 0.823 -3.738 5.450 1.00 2.03 H new ATOM 0 HE2 MET A 36 1.532 -2.838 4.088 1.00 2.03 H new ATOM 0 HE3 MET A 36 2.329 -4.310 4.693 1.00 2.03 H new ATOM 544 N ARG A 37 7.747 -1.183 7.630 1.00 0.76 N ATOM 545 CA ARG A 37 8.818 -1.246 8.610 1.00 0.97 C ATOM 546 C ARG A 37 9.026 0.124 9.258 1.00 0.89 C ATOM 547 O ARG A 37 9.414 0.211 10.423 1.00 0.97 O ATOM 548 CB ARG A 37 10.129 -1.701 7.964 1.00 1.46 C ATOM 549 CG ARG A 37 10.566 -0.729 6.867 1.00 1.30 C ATOM 550 CD ARG A 37 11.530 0.323 7.418 1.00 1.94 C ATOM 551 NE ARG A 37 12.064 1.149 6.312 1.00 2.62 N ATOM 552 CZ ARG A 37 12.558 2.384 6.468 1.00 3.72 C ATOM 553 NH1 ARG A 37 12.589 2.945 7.685 1.00 4.50 N ATOM 554 NH2 ARG A 37 13.021 3.060 5.408 1.00 4.46 N ATOM 0 H ARG A 37 8.031 -1.392 6.673 1.00 0.76 H new ATOM 0 HA ARG A 37 8.529 -1.971 9.371 1.00 0.97 H new ATOM 0 HB2 ARG A 37 10.908 -1.771 8.724 1.00 1.46 H new ATOM 0 HB3 ARG A 37 10.004 -2.698 7.542 1.00 1.46 H new ATOM 0 HG2 ARG A 37 11.047 -1.280 6.059 1.00 1.30 H new ATOM 0 HG3 ARG A 37 9.691 -0.238 6.442 1.00 1.30 H new ATOM 0 HD2 ARG A 37 11.016 0.957 8.140 1.00 1.94 H new ATOM 0 HD3 ARG A 37 12.349 -0.164 7.947 1.00 1.94 H new ATOM 0 HE ARG A 37 12.055 0.753 5.372 1.00 2.62 H new ATOM 0 HH11 ARG A 37 12.236 2.431 8.493 1.00 4.50 H new ATOM 0 HH12 ARG A 37 12.965 3.886 7.804 1.00 4.50 H new ATOM 0 HH21 ARG A 37 12.997 2.634 4.481 1.00 4.46 H new ATOM 0 HH22 ARG A 37 13.397 4.001 5.528 1.00 4.46 H new ATOM 568 N SER A 38 8.759 1.160 8.477 1.00 0.93 N ATOM 569 CA SER A 38 8.912 2.521 8.961 1.00 1.18 C ATOM 570 C SER A 38 8.059 2.730 10.213 1.00 1.09 C ATOM 571 O SER A 38 8.428 3.501 11.098 1.00 1.43 O ATOM 572 CB SER A 38 8.527 3.535 7.881 1.00 1.38 C ATOM 573 OG SER A 38 9.662 4.235 7.378 1.00 2.51 O ATOM 0 H SER A 38 8.438 1.084 7.512 1.00 0.93 H new ATOM 0 HA SER A 38 9.961 2.679 9.213 1.00 1.18 H new ATOM 0 HB2 SER A 38 8.026 3.019 7.061 1.00 1.38 H new ATOM 0 HB3 SER A 38 7.813 4.249 8.292 1.00 1.38 H new ATOM 0 HG SER A 38 9.375 4.871 6.690 1.00 2.51 H new ATOM 579 N LEU A 39 6.934 2.031 10.248 1.00 0.85 N ATOM 580 CA LEU A 39 6.026 2.130 11.378 1.00 1.08 C ATOM 581 C LEU A 39 6.695 1.536 12.619 1.00 1.19 C ATOM 582 O LEU A 39 6.490 2.020 13.731 1.00 1.94 O ATOM 583 CB LEU A 39 4.678 1.489 11.040 1.00 1.04 C ATOM 584 CG LEU A 39 3.769 2.292 10.107 1.00 1.05 C ATOM 585 CD1 LEU A 39 2.598 1.439 9.614 1.00 1.13 C ATOM 586 CD2 LEU A 39 3.294 3.582 10.780 1.00 1.34 C ATOM 0 H LEU A 39 6.631 1.394 9.512 1.00 0.85 H new ATOM 0 HA LEU A 39 5.809 3.175 11.602 1.00 1.08 H new ATOM 0 HB2 LEU A 39 4.865 0.516 10.585 1.00 1.04 H new ATOM 0 HB3 LEU A 39 4.141 1.307 11.971 1.00 1.04 H new ATOM 0 HG LEU A 39 4.349 2.580 9.231 1.00 1.05 H new ATOM 0 HD11 LEU A 39 1.968 2.034 8.953 1.00 1.13 H new ATOM 0 HD12 LEU A 39 2.981 0.575 9.070 1.00 1.13 H new ATOM 0 HD13 LEU A 39 2.010 1.100 10.467 1.00 1.13 H new ATOM 0 HD21 LEU A 39 2.650 4.134 10.095 1.00 1.34 H new ATOM 0 HD22 LEU A 39 2.737 3.337 11.684 1.00 1.34 H new ATOM 0 HD23 LEU A 39 4.157 4.196 11.040 1.00 1.34 H new ATOM 598 N GLY A 40 7.481 0.495 12.387 1.00 0.85 N ATOM 599 CA GLY A 40 8.182 -0.171 13.472 1.00 0.87 C ATOM 600 C GLY A 40 8.557 -1.603 13.085 1.00 0.94 C ATOM 601 O GLY A 40 9.525 -2.156 13.604 1.00 1.74 O ATOM 0 H GLY A 40 7.648 0.096 11.463 1.00 0.85 H new ATOM 0 HA2 GLY A 40 9.082 0.389 13.726 1.00 0.87 H new ATOM 0 HA3 GLY A 40 7.553 -0.184 14.362 1.00 0.87 H new ATOM 605 N GLN A 41 7.770 -2.162 12.178 1.00 0.78 N ATOM 606 CA GLN A 41 8.008 -3.519 11.716 1.00 0.73 C ATOM 607 C GLN A 41 9.290 -3.580 10.883 1.00 0.92 C ATOM 608 O GLN A 41 10.021 -2.595 10.791 1.00 1.89 O ATOM 609 CB GLN A 41 6.811 -4.045 10.920 1.00 0.61 C ATOM 610 CG GLN A 41 5.560 -4.122 11.797 1.00 1.28 C ATOM 611 CD GLN A 41 5.108 -5.572 11.981 1.00 1.98 C ATOM 612 OE1 GLN A 41 4.914 -6.314 11.032 1.00 2.71 O ATOM 613 NE2 GLN A 41 4.952 -5.933 13.251 1.00 2.88 N ATOM 0 H GLN A 41 6.967 -1.700 11.751 1.00 0.78 H new ATOM 0 HA GLN A 41 8.134 -4.161 12.587 1.00 0.73 H new ATOM 0 HB2 GLN A 41 6.622 -3.393 10.067 1.00 0.61 H new ATOM 0 HB3 GLN A 41 7.041 -5.033 10.521 1.00 0.61 H new ATOM 0 HG2 GLN A 41 5.765 -3.675 12.770 1.00 1.28 H new ATOM 0 HG3 GLN A 41 4.757 -3.542 11.343 1.00 1.28 H new ATOM 0 HE21 GLN A 41 5.132 -5.262 13.998 1.00 2.88 H new ATOM 0 HE22 GLN A 41 4.653 -6.881 13.479 1.00 2.88 H new ATOM 622 N ASN A 42 9.523 -4.746 10.298 1.00 0.57 N ATOM 623 CA ASN A 42 10.704 -4.947 9.476 1.00 0.56 C ATOM 624 C ASN A 42 10.564 -6.261 8.704 1.00 0.49 C ATOM 625 O ASN A 42 11.404 -7.150 8.827 1.00 0.56 O ATOM 626 CB ASN A 42 11.966 -5.038 10.337 1.00 0.72 C ATOM 627 CG ASN A 42 13.134 -4.303 9.677 1.00 1.15 C ATOM 628 OD1 ASN A 42 14.107 -4.896 9.242 1.00 1.71 O ATOM 629 ND2 ASN A 42 12.984 -2.983 9.626 1.00 1.35 N ATOM 0 H ASN A 42 8.914 -5.561 10.377 1.00 0.57 H new ATOM 0 HA ASN A 42 10.791 -4.099 8.797 1.00 0.56 H new ATOM 0 HB2 ASN A 42 11.771 -4.610 11.320 1.00 0.72 H new ATOM 0 HB3 ASN A 42 12.231 -6.084 10.491 1.00 0.72 H new ATOM 0 HD21 ASN A 42 13.709 -2.403 9.204 1.00 1.35 H new ATOM 0 HD22 ASN A 42 12.144 -2.550 10.009 1.00 1.35 H new ATOM 636 N PRO A 43 9.468 -6.342 7.903 1.00 0.45 N ATOM 637 CA PRO A 43 9.207 -7.532 7.110 1.00 0.49 C ATOM 638 C PRO A 43 10.139 -7.599 5.899 1.00 0.46 C ATOM 639 O PRO A 43 10.989 -6.729 5.717 1.00 0.49 O ATOM 640 CB PRO A 43 7.740 -7.435 6.726 1.00 0.56 C ATOM 641 CG PRO A 43 7.354 -5.977 6.920 1.00 0.55 C ATOM 642 CD PRO A 43 8.451 -5.309 7.732 1.00 0.49 C ATOM 0 HA PRO A 43 9.401 -8.454 7.658 1.00 0.49 H new ATOM 0 HB2 PRO A 43 7.585 -7.746 5.693 1.00 0.56 H new ATOM 0 HB3 PRO A 43 7.129 -8.087 7.350 1.00 0.56 H new ATOM 0 HG2 PRO A 43 7.237 -5.482 5.956 1.00 0.55 H new ATOM 0 HG3 PRO A 43 6.397 -5.901 7.436 1.00 0.55 H new ATOM 0 HD2 PRO A 43 8.854 -4.439 7.213 1.00 0.49 H new ATOM 0 HD3 PRO A 43 8.075 -4.961 8.694 1.00 0.49 H new ATOM 650 N THR A 44 9.948 -8.640 5.103 1.00 0.45 N ATOM 651 CA THR A 44 10.762 -8.832 3.914 1.00 0.45 C ATOM 652 C THR A 44 9.978 -8.436 2.662 1.00 0.40 C ATOM 653 O THR A 44 8.756 -8.571 2.621 1.00 0.43 O ATOM 654 CB THR A 44 11.238 -10.286 3.897 1.00 0.48 C ATOM 655 OG1 THR A 44 10.127 -11.022 4.400 1.00 0.48 O ATOM 656 CG2 THR A 44 12.351 -10.550 4.914 1.00 0.58 C ATOM 0 H THR A 44 9.242 -9.360 5.257 1.00 0.45 H new ATOM 0 HA THR A 44 11.640 -8.187 3.928 1.00 0.45 H new ATOM 0 HB THR A 44 11.592 -10.540 2.898 1.00 0.48 H new ATOM 0 HG1 THR A 44 10.349 -11.976 4.421 1.00 0.48 H new ATOM 0 HG21 THR A 44 12.652 -11.596 4.861 1.00 0.58 H new ATOM 0 HG22 THR A 44 13.207 -9.914 4.689 1.00 0.58 H new ATOM 0 HG23 THR A 44 11.987 -10.328 5.917 1.00 0.58 H new ATOM 664 N GLU A 45 10.713 -7.953 1.670 1.00 0.42 N ATOM 665 CA GLU A 45 10.101 -7.536 0.420 1.00 0.40 C ATOM 666 C GLU A 45 9.532 -8.746 -0.323 1.00 0.36 C ATOM 667 O GLU A 45 8.673 -8.598 -1.191 1.00 0.36 O ATOM 668 CB GLU A 45 11.103 -6.778 -0.454 1.00 0.46 C ATOM 669 CG GLU A 45 12.265 -7.683 -0.866 1.00 0.48 C ATOM 670 CD GLU A 45 13.567 -7.248 -0.189 1.00 1.86 C ATOM 671 OE1 GLU A 45 13.599 -7.294 1.060 1.00 3.37 O ATOM 672 OE2 GLU A 45 14.499 -6.879 -0.935 1.00 2.37 O ATOM 0 H GLU A 45 11.726 -7.841 1.707 1.00 0.42 H new ATOM 0 HA GLU A 45 9.280 -6.856 0.649 1.00 0.40 H new ATOM 0 HB2 GLU A 45 10.601 -6.398 -1.343 1.00 0.46 H new ATOM 0 HB3 GLU A 45 11.485 -5.914 0.090 1.00 0.46 H new ATOM 0 HG2 GLU A 45 12.039 -8.715 -0.598 1.00 0.48 H new ATOM 0 HG3 GLU A 45 12.387 -7.654 -1.949 1.00 0.48 H new ATOM 679 N ALA A 46 10.033 -9.916 0.046 1.00 0.35 N ATOM 680 CA ALA A 46 9.584 -11.151 -0.574 1.00 0.34 C ATOM 681 C ALA A 46 8.141 -11.434 -0.151 1.00 0.33 C ATOM 682 O ALA A 46 7.253 -11.545 -0.996 1.00 0.35 O ATOM 683 CB ALA A 46 10.536 -12.287 -0.197 1.00 0.38 C ATOM 0 H ALA A 46 10.745 -10.035 0.766 1.00 0.35 H new ATOM 0 HA ALA A 46 9.597 -11.062 -1.660 1.00 0.34 H new ATOM 0 HB1 ALA A 46 10.199 -13.213 -0.662 1.00 0.38 H new ATOM 0 HB2 ALA A 46 11.541 -12.050 -0.546 1.00 0.38 H new ATOM 0 HB3 ALA A 46 10.547 -12.408 0.886 1.00 0.38 H new ATOM 689 N GLU A 47 7.952 -11.544 1.155 1.00 0.33 N ATOM 690 CA GLU A 47 6.632 -11.813 1.700 1.00 0.34 C ATOM 691 C GLU A 47 5.620 -10.799 1.164 1.00 0.32 C ATOM 692 O GLU A 47 4.510 -11.167 0.782 1.00 0.33 O ATOM 693 CB GLU A 47 6.659 -11.804 3.230 1.00 0.37 C ATOM 694 CG GLU A 47 7.402 -13.026 3.773 1.00 0.53 C ATOM 695 CD GLU A 47 6.421 -14.122 4.195 1.00 0.82 C ATOM 696 OE1 GLU A 47 5.799 -13.945 5.265 1.00 1.40 O ATOM 697 OE2 GLU A 47 6.315 -15.111 3.438 1.00 1.74 O ATOM 0 H GLU A 47 8.691 -11.452 1.852 1.00 0.33 H new ATOM 0 HA GLU A 47 6.324 -12.808 1.380 1.00 0.34 H new ATOM 0 HB2 GLU A 47 7.143 -10.893 3.583 1.00 0.37 H new ATOM 0 HB3 GLU A 47 5.639 -11.793 3.615 1.00 0.37 H new ATOM 0 HG2 GLU A 47 8.079 -13.413 3.011 1.00 0.53 H new ATOM 0 HG3 GLU A 47 8.015 -12.734 4.626 1.00 0.53 H new ATOM 704 N LEU A 48 6.039 -9.542 1.152 1.00 0.31 N ATOM 705 CA LEU A 48 5.182 -8.473 0.668 1.00 0.30 C ATOM 706 C LEU A 48 5.040 -8.587 -0.851 1.00 0.31 C ATOM 707 O LEU A 48 4.100 -8.047 -1.433 1.00 0.38 O ATOM 708 CB LEU A 48 5.706 -7.114 1.136 1.00 0.34 C ATOM 709 CG LEU A 48 5.339 -6.709 2.565 1.00 0.38 C ATOM 710 CD1 LEU A 48 3.843 -6.408 2.683 1.00 0.42 C ATOM 711 CD2 LEU A 48 5.789 -7.773 3.569 1.00 0.56 C ATOM 0 H LEU A 48 6.960 -9.240 1.469 1.00 0.31 H new ATOM 0 HA LEU A 48 4.181 -8.566 1.090 1.00 0.30 H new ATOM 0 HB2 LEU A 48 6.792 -7.116 1.048 1.00 0.34 H new ATOM 0 HB3 LEU A 48 5.332 -6.349 0.455 1.00 0.34 H new ATOM 0 HG LEU A 48 5.873 -5.790 2.807 1.00 0.38 H new ATOM 0 HD11 LEU A 48 3.609 -6.123 3.709 1.00 0.42 H new ATOM 0 HD12 LEU A 48 3.582 -5.591 2.011 1.00 0.42 H new ATOM 0 HD13 LEU A 48 3.271 -7.296 2.414 1.00 0.42 H new ATOM 0 HD21 LEU A 48 5.516 -7.461 4.577 1.00 0.56 H new ATOM 0 HD22 LEU A 48 5.302 -8.720 3.338 1.00 0.56 H new ATOM 0 HD23 LEU A 48 6.870 -7.897 3.508 1.00 0.56 H new ATOM 723 N GLN A 49 5.987 -9.293 -1.451 1.00 0.29 N ATOM 724 CA GLN A 49 5.979 -9.484 -2.891 1.00 0.32 C ATOM 725 C GLN A 49 4.683 -10.169 -3.329 1.00 0.30 C ATOM 726 O GLN A 49 4.143 -9.863 -4.391 1.00 0.33 O ATOM 727 CB GLN A 49 7.202 -10.285 -3.345 1.00 0.37 C ATOM 728 CG GLN A 49 7.472 -10.076 -4.836 1.00 0.51 C ATOM 729 CD GLN A 49 8.750 -10.797 -5.268 1.00 0.63 C ATOM 730 OE1 GLN A 49 9.602 -11.140 -4.465 1.00 1.27 O ATOM 731 NE2 GLN A 49 8.836 -11.007 -6.578 1.00 1.34 N ATOM 0 H GLN A 49 6.765 -9.740 -0.966 1.00 0.29 H new ATOM 0 HA GLN A 49 6.029 -8.505 -3.367 1.00 0.32 H new ATOM 0 HB2 GLN A 49 8.075 -9.981 -2.768 1.00 0.37 H new ATOM 0 HB3 GLN A 49 7.042 -11.345 -3.146 1.00 0.37 H new ATOM 0 HG2 GLN A 49 6.627 -10.446 -5.417 1.00 0.51 H new ATOM 0 HG3 GLN A 49 7.562 -9.010 -5.047 1.00 0.51 H new ATOM 0 HE21 GLN A 49 8.086 -10.694 -7.195 1.00 1.34 H new ATOM 0 HE22 GLN A 49 9.651 -11.481 -6.966 1.00 1.34 H new ATOM 740 N ASP A 50 4.221 -11.082 -2.487 1.00 0.29 N ATOM 741 CA ASP A 50 2.997 -11.813 -2.774 1.00 0.32 C ATOM 742 C ASP A 50 1.797 -10.885 -2.578 1.00 0.31 C ATOM 743 O ASP A 50 0.762 -11.059 -3.219 1.00 0.32 O ATOM 744 CB ASP A 50 2.833 -13.004 -1.829 1.00 0.37 C ATOM 745 CG ASP A 50 1.523 -13.779 -1.986 1.00 0.55 C ATOM 746 OD1 ASP A 50 0.463 -13.120 -1.917 1.00 1.91 O ATOM 747 OD2 ASP A 50 1.611 -15.012 -2.171 1.00 1.51 O ATOM 0 H ASP A 50 4.671 -11.332 -1.607 1.00 0.29 H new ATOM 0 HA ASP A 50 3.052 -12.173 -3.801 1.00 0.32 H new ATOM 0 HB2 ASP A 50 3.665 -13.691 -1.986 1.00 0.37 H new ATOM 0 HB3 ASP A 50 2.905 -12.646 -0.802 1.00 0.37 H new ATOM 752 N MET A 51 1.975 -9.919 -1.688 1.00 0.32 N ATOM 753 CA MET A 51 0.919 -8.963 -1.400 1.00 0.34 C ATOM 754 C MET A 51 0.713 -8.003 -2.573 1.00 0.33 C ATOM 755 O MET A 51 -0.375 -7.939 -3.144 1.00 0.36 O ATOM 756 CB MET A 51 1.281 -8.166 -0.145 1.00 0.38 C ATOM 757 CG MET A 51 0.783 -8.875 1.117 1.00 0.49 C ATOM 758 SD MET A 51 -0.882 -8.355 1.493 1.00 1.40 S ATOM 759 CE MET A 51 -0.698 -7.953 3.222 1.00 2.38 C ATOM 0 H MET A 51 2.834 -9.778 -1.157 1.00 0.32 H new ATOM 0 HA MET A 51 -0.008 -9.512 -1.238 1.00 0.34 H new ATOM 0 HB2 MET A 51 2.362 -8.036 -0.091 1.00 0.38 H new ATOM 0 HB3 MET A 51 0.843 -7.170 -0.204 1.00 0.38 H new ATOM 0 HG2 MET A 51 0.811 -9.955 0.972 1.00 0.49 H new ATOM 0 HG3 MET A 51 1.442 -8.648 1.955 1.00 0.49 H new ATOM 0 HE1 MET A 51 -1.681 -7.797 3.666 1.00 2.38 H new ATOM 0 HE2 MET A 51 -0.194 -8.773 3.735 1.00 2.38 H new ATOM 0 HE3 MET A 51 -0.106 -7.043 3.323 1.00 2.38 H new ATOM 769 N ILE A 52 1.774 -7.280 -2.898 1.00 0.31 N ATOM 770 CA ILE A 52 1.724 -6.326 -3.992 1.00 0.31 C ATOM 771 C ILE A 52 1.117 -7.001 -5.224 1.00 0.31 C ATOM 772 O ILE A 52 0.282 -6.413 -5.910 1.00 0.29 O ATOM 773 CB ILE A 52 3.107 -5.722 -4.242 1.00 0.32 C ATOM 774 CG1 ILE A 52 4.101 -6.795 -4.691 1.00 0.39 C ATOM 775 CG2 ILE A 52 3.603 -4.961 -3.010 1.00 0.33 C ATOM 776 CD1 ILE A 52 4.194 -6.851 -6.217 1.00 0.65 C ATOM 0 H ILE A 52 2.674 -7.336 -2.422 1.00 0.31 H new ATOM 0 HA ILE A 52 1.077 -5.487 -3.735 1.00 0.31 H new ATOM 0 HB ILE A 52 3.023 -5.001 -5.055 1.00 0.32 H new ATOM 0 HG12 ILE A 52 5.084 -6.584 -4.271 1.00 0.39 H new ATOM 0 HG13 ILE A 52 3.792 -7.767 -4.306 1.00 0.39 H new ATOM 0 HG21 ILE A 52 4.588 -4.541 -3.214 1.00 0.33 H new ATOM 0 HG22 ILE A 52 2.907 -4.156 -2.775 1.00 0.33 H new ATOM 0 HG23 ILE A 52 3.668 -5.643 -2.162 1.00 0.33 H new ATOM 0 HD11 ILE A 52 4.907 -7.622 -6.510 1.00 0.65 H new ATOM 0 HD12 ILE A 52 3.214 -7.086 -6.633 1.00 0.65 H new ATOM 0 HD13 ILE A 52 4.527 -5.885 -6.597 1.00 0.65 H new ATOM 788 N ASN A 53 1.559 -8.226 -5.466 1.00 0.36 N ATOM 789 CA ASN A 53 1.070 -8.987 -6.603 1.00 0.38 C ATOM 790 C ASN A 53 -0.408 -9.320 -6.390 1.00 0.37 C ATOM 791 O ASN A 53 -1.174 -9.405 -7.349 1.00 0.38 O ATOM 792 CB ASN A 53 1.834 -10.305 -6.753 1.00 0.50 C ATOM 793 CG ASN A 53 1.901 -10.735 -8.220 1.00 0.85 C ATOM 794 OD1 ASN A 53 1.938 -9.923 -9.130 1.00 1.53 O ATOM 795 ND2 ASN A 53 1.916 -12.053 -8.397 1.00 1.33 N ATOM 0 H ASN A 53 2.251 -8.711 -4.894 1.00 0.36 H new ATOM 0 HA ASN A 53 1.212 -8.383 -7.499 1.00 0.38 H new ATOM 0 HB2 ASN A 53 2.843 -10.192 -6.357 1.00 0.50 H new ATOM 0 HB3 ASN A 53 1.346 -11.082 -6.164 1.00 0.50 H new ATOM 0 HD21 ASN A 53 1.961 -12.441 -9.339 1.00 1.33 H new ATOM 0 HD22 ASN A 53 1.883 -12.676 -7.590 1.00 1.33 H new ATOM 802 N GLU A 54 -0.766 -9.499 -5.127 1.00 0.40 N ATOM 803 CA GLU A 54 -2.139 -9.820 -4.776 1.00 0.47 C ATOM 804 C GLU A 54 -3.042 -8.605 -4.998 1.00 0.42 C ATOM 805 O GLU A 54 -3.997 -8.669 -5.771 1.00 0.48 O ATOM 806 CB GLU A 54 -2.234 -10.318 -3.333 1.00 0.54 C ATOM 807 CG GLU A 54 -3.694 -10.498 -2.910 1.00 0.55 C ATOM 808 CD GLU A 54 -4.006 -11.969 -2.630 1.00 0.91 C ATOM 809 OE1 GLU A 54 -4.226 -12.701 -3.619 1.00 1.58 O ATOM 810 OE2 GLU A 54 -4.017 -12.329 -1.433 1.00 2.01 O ATOM 0 H GLU A 54 -0.129 -9.428 -4.334 1.00 0.40 H new ATOM 0 HA GLU A 54 -2.481 -10.625 -5.426 1.00 0.47 H new ATOM 0 HB2 GLU A 54 -1.704 -11.266 -3.236 1.00 0.54 H new ATOM 0 HB3 GLU A 54 -1.743 -9.609 -2.667 1.00 0.54 H new ATOM 0 HG2 GLU A 54 -3.894 -9.904 -2.018 1.00 0.55 H new ATOM 0 HG3 GLU A 54 -4.352 -10.126 -3.695 1.00 0.55 H new ATOM 817 N VAL A 55 -2.708 -7.525 -4.306 1.00 0.36 N ATOM 818 CA VAL A 55 -3.476 -6.297 -4.418 1.00 0.38 C ATOM 819 C VAL A 55 -3.491 -5.841 -5.878 1.00 0.37 C ATOM 820 O VAL A 55 -4.539 -5.474 -6.407 1.00 0.54 O ATOM 821 CB VAL A 55 -2.913 -5.240 -3.466 1.00 0.35 C ATOM 822 CG1 VAL A 55 -2.589 -5.848 -2.100 1.00 0.45 C ATOM 823 CG2 VAL A 55 -1.683 -4.559 -4.070 1.00 0.35 C ATOM 0 H VAL A 55 -1.916 -7.475 -3.666 1.00 0.36 H new ATOM 0 HA VAL A 55 -4.511 -6.465 -4.120 1.00 0.38 H new ATOM 0 HB VAL A 55 -3.679 -4.479 -3.319 1.00 0.35 H new ATOM 0 HG11 VAL A 55 -2.190 -5.075 -1.443 1.00 0.45 H new ATOM 0 HG12 VAL A 55 -3.497 -6.264 -1.662 1.00 0.45 H new ATOM 0 HG13 VAL A 55 -1.849 -6.639 -2.220 1.00 0.45 H new ATOM 0 HG21 VAL A 55 -1.302 -3.812 -3.374 1.00 0.35 H new ATOM 0 HG22 VAL A 55 -0.911 -5.305 -4.261 1.00 0.35 H new ATOM 0 HG23 VAL A 55 -1.959 -4.075 -5.007 1.00 0.35 H new ATOM 833 N ASP A 56 -2.315 -5.879 -6.488 1.00 0.24 N ATOM 834 CA ASP A 56 -2.180 -5.474 -7.877 1.00 0.25 C ATOM 835 C ASP A 56 -3.283 -6.134 -8.706 1.00 0.29 C ATOM 836 O ASP A 56 -3.183 -7.309 -9.057 1.00 0.35 O ATOM 837 CB ASP A 56 -0.831 -5.913 -8.450 1.00 0.32 C ATOM 838 CG ASP A 56 -0.631 -5.614 -9.937 1.00 0.44 C ATOM 839 OD1 ASP A 56 -0.503 -4.413 -10.262 1.00 0.56 O ATOM 840 OD2 ASP A 56 -0.612 -6.591 -10.715 1.00 0.72 O ATOM 0 H ASP A 56 -1.448 -6.184 -6.046 1.00 0.24 H new ATOM 0 HA ASP A 56 -2.254 -4.387 -7.920 1.00 0.25 H new ATOM 0 HB2 ASP A 56 -0.037 -5.423 -7.886 1.00 0.32 H new ATOM 0 HB3 ASP A 56 -0.718 -6.986 -8.292 1.00 0.32 H new ATOM 845 N ALA A 57 -4.311 -5.350 -8.996 1.00 0.43 N ATOM 846 CA ALA A 57 -5.432 -5.843 -9.778 1.00 0.54 C ATOM 847 C ALA A 57 -5.289 -5.366 -11.224 1.00 0.65 C ATOM 848 O ALA A 57 -5.249 -6.178 -12.148 1.00 0.62 O ATOM 849 CB ALA A 57 -6.743 -5.381 -9.138 1.00 0.78 C ATOM 0 H ALA A 57 -4.391 -4.376 -8.703 1.00 0.43 H new ATOM 0 HA ALA A 57 -5.441 -6.933 -9.790 1.00 0.54 H new ATOM 0 HB1 ALA A 57 -7.584 -5.751 -9.724 1.00 0.78 H new ATOM 0 HB2 ALA A 57 -6.809 -5.771 -8.122 1.00 0.78 H new ATOM 0 HB3 ALA A 57 -6.771 -4.292 -9.111 1.00 0.78 H new ATOM 855 N ASP A 58 -5.216 -4.052 -11.376 1.00 0.88 N ATOM 856 CA ASP A 58 -5.079 -3.458 -12.695 1.00 1.11 C ATOM 857 C ASP A 58 -4.100 -4.290 -13.525 1.00 1.09 C ATOM 858 O ASP A 58 -4.243 -4.391 -14.743 1.00 1.24 O ATOM 859 CB ASP A 58 -4.527 -2.033 -12.602 1.00 1.35 C ATOM 860 CG ASP A 58 -3.004 -1.935 -12.495 1.00 0.96 C ATOM 861 OD1 ASP A 58 -2.505 -2.066 -11.357 1.00 1.19 O ATOM 862 OD2 ASP A 58 -2.373 -1.732 -13.555 1.00 2.53 O ATOM 0 H ASP A 58 -5.249 -3.382 -10.608 1.00 0.88 H new ATOM 0 HA ASP A 58 -6.065 -3.434 -13.158 1.00 1.11 H new ATOM 0 HB2 ASP A 58 -4.851 -1.476 -13.481 1.00 1.35 H new ATOM 0 HB3 ASP A 58 -4.969 -1.544 -11.734 1.00 1.35 H new ATOM 867 N GLY A 59 -3.127 -4.866 -12.833 1.00 0.96 N ATOM 868 CA GLY A 59 -2.125 -5.686 -13.492 1.00 1.07 C ATOM 869 C GLY A 59 -0.790 -4.946 -13.593 1.00 1.21 C ATOM 870 O GLY A 59 -0.695 -3.918 -14.262 1.00 1.72 O ATOM 0 H GLY A 59 -3.012 -4.781 -11.823 1.00 0.96 H new ATOM 0 HA2 GLY A 59 -1.989 -6.615 -12.938 1.00 1.07 H new ATOM 0 HA3 GLY A 59 -2.471 -5.957 -14.489 1.00 1.07 H new ATOM 874 N ASP A 60 0.208 -5.497 -12.918 1.00 0.88 N ATOM 875 CA ASP A 60 1.534 -4.901 -12.923 1.00 0.97 C ATOM 876 C ASP A 60 2.350 -5.474 -11.763 1.00 0.91 C ATOM 877 O ASP A 60 3.229 -6.308 -11.970 1.00 0.95 O ATOM 878 CB ASP A 60 1.456 -3.384 -12.743 1.00 1.07 C ATOM 879 CG ASP A 60 2.614 -2.766 -11.957 1.00 1.90 C ATOM 880 OD1 ASP A 60 3.768 -2.960 -12.399 1.00 3.42 O ATOM 881 OD2 ASP A 60 2.320 -2.113 -10.933 1.00 2.45 O ATOM 0 H ASP A 60 0.125 -6.349 -12.364 1.00 0.88 H new ATOM 0 HA ASP A 60 2.002 -5.127 -13.881 1.00 0.97 H new ATOM 0 HB2 ASP A 60 1.415 -2.918 -13.728 1.00 1.07 H new ATOM 0 HB3 ASP A 60 0.522 -3.141 -12.236 1.00 1.07 H new ATOM 886 N GLY A 61 2.030 -5.003 -10.567 1.00 0.90 N ATOM 887 CA GLY A 61 2.722 -5.457 -9.373 1.00 0.86 C ATOM 888 C GLY A 61 2.735 -4.369 -8.298 1.00 1.06 C ATOM 889 O GLY A 61 2.500 -4.648 -7.124 1.00 2.31 O ATOM 0 H GLY A 61 1.300 -4.311 -10.399 1.00 0.90 H new ATOM 0 HA2 GLY A 61 2.235 -6.351 -8.984 1.00 0.86 H new ATOM 0 HA3 GLY A 61 3.745 -5.736 -9.625 1.00 0.86 H new ATOM 893 N THR A 62 3.011 -3.150 -8.738 1.00 0.82 N ATOM 894 CA THR A 62 3.058 -2.018 -7.829 1.00 0.69 C ATOM 895 C THR A 62 1.713 -1.850 -7.118 1.00 0.44 C ATOM 896 O THR A 62 0.741 -2.526 -7.452 1.00 0.35 O ATOM 897 CB THR A 62 3.480 -0.785 -8.629 1.00 0.93 C ATOM 898 OG1 THR A 62 4.583 -1.238 -9.409 1.00 1.12 O ATOM 899 CG2 THR A 62 4.074 0.313 -7.745 1.00 0.90 C ATOM 0 H THR A 62 3.204 -2.922 -9.713 1.00 0.82 H new ATOM 0 HA THR A 62 3.792 -2.176 -7.038 1.00 0.69 H new ATOM 0 HB THR A 62 2.618 -0.390 -9.167 1.00 0.93 H new ATOM 0 HG1 THR A 62 4.918 -0.501 -9.961 1.00 1.12 H new ATOM 0 HG21 THR A 62 4.357 1.165 -8.363 1.00 0.90 H new ATOM 0 HG22 THR A 62 3.334 0.628 -7.010 1.00 0.90 H new ATOM 0 HG23 THR A 62 4.955 -0.071 -7.231 1.00 0.90 H new ATOM 907 N ILE A 63 1.701 -0.946 -6.149 1.00 0.48 N ATOM 908 CA ILE A 63 0.492 -0.681 -5.388 1.00 0.37 C ATOM 909 C ILE A 63 0.026 0.751 -5.662 1.00 0.62 C ATOM 910 O ILE A 63 0.662 1.709 -5.226 1.00 1.83 O ATOM 911 CB ILE A 63 0.716 -0.981 -3.905 1.00 0.44 C ATOM 912 CG1 ILE A 63 1.308 -2.379 -3.712 1.00 0.50 C ATOM 913 CG2 ILE A 63 -0.575 -0.789 -3.106 1.00 0.63 C ATOM 914 CD1 ILE A 63 1.039 -2.897 -2.298 1.00 0.93 C ATOM 0 H ILE A 63 2.509 -0.388 -5.874 1.00 0.48 H new ATOM 0 HA ILE A 63 -0.312 -1.345 -5.706 1.00 0.37 H new ATOM 0 HB ILE A 63 1.443 -0.267 -3.518 1.00 0.44 H new ATOM 0 HG12 ILE A 63 0.878 -3.064 -4.442 1.00 0.50 H new ATOM 0 HG13 ILE A 63 2.382 -2.352 -3.895 1.00 0.50 H new ATOM 0 HG21 ILE A 63 -0.388 -1.009 -2.055 1.00 0.63 H new ATOM 0 HG22 ILE A 63 -0.915 0.242 -3.207 1.00 0.63 H new ATOM 0 HG23 ILE A 63 -1.342 -1.463 -3.487 1.00 0.63 H new ATOM 0 HD11 ILE A 63 1.470 -3.892 -2.187 1.00 0.93 H new ATOM 0 HD12 ILE A 63 1.491 -2.222 -1.571 1.00 0.93 H new ATOM 0 HD13 ILE A 63 -0.036 -2.946 -2.127 1.00 0.93 H new ATOM 926 N ASP A 64 -1.081 0.851 -6.384 1.00 0.79 N ATOM 927 CA ASP A 64 -1.640 2.149 -6.721 1.00 0.74 C ATOM 928 C ASP A 64 -2.496 2.649 -5.556 1.00 0.60 C ATOM 929 O ASP A 64 -2.506 2.045 -4.484 1.00 0.60 O ATOM 930 CB ASP A 64 -2.533 2.059 -7.960 1.00 0.77 C ATOM 931 CG ASP A 64 -1.852 1.496 -9.209 1.00 1.93 C ATOM 932 OD1 ASP A 64 -0.665 1.124 -9.089 1.00 3.04 O ATOM 933 OD2 ASP A 64 -2.534 1.449 -10.255 1.00 3.01 O ATOM 0 H ASP A 64 -1.606 0.054 -6.745 1.00 0.79 H new ATOM 0 HA ASP A 64 -0.813 2.831 -6.921 1.00 0.74 H new ATOM 0 HB2 ASP A 64 -3.396 1.436 -7.723 1.00 0.77 H new ATOM 0 HB3 ASP A 64 -2.912 3.055 -8.189 1.00 0.77 H new ATOM 938 N PHE A 65 -3.193 3.748 -5.805 1.00 0.75 N ATOM 939 CA PHE A 65 -4.051 4.336 -4.790 1.00 0.69 C ATOM 940 C PHE A 65 -5.305 3.487 -4.573 1.00 0.66 C ATOM 941 O PHE A 65 -5.693 3.226 -3.435 1.00 0.63 O ATOM 942 CB PHE A 65 -4.466 5.717 -5.301 1.00 0.71 C ATOM 943 CG PHE A 65 -4.799 6.717 -4.191 1.00 1.15 C ATOM 944 CD1 PHE A 65 -3.825 7.137 -3.340 1.00 0.51 C ATOM 945 CD2 PHE A 65 -6.069 7.184 -4.056 1.00 2.82 C ATOM 946 CE1 PHE A 65 -4.134 8.065 -2.310 1.00 0.59 C ATOM 947 CE2 PHE A 65 -6.378 8.112 -3.026 1.00 3.31 C ATOM 948 CZ PHE A 65 -5.404 8.532 -2.175 1.00 2.08 C ATOM 0 H PHE A 65 -3.181 4.247 -6.695 1.00 0.75 H new ATOM 0 HA PHE A 65 -3.518 4.397 -3.841 1.00 0.69 H new ATOM 0 HB2 PHE A 65 -3.661 6.124 -5.913 1.00 0.71 H new ATOM 0 HB3 PHE A 65 -5.335 5.607 -5.950 1.00 0.71 H new ATOM 0 HD1 PHE A 65 -2.817 6.765 -3.447 1.00 0.51 H new ATOM 0 HD2 PHE A 65 -6.842 6.849 -4.732 1.00 2.82 H new ATOM 0 HE1 PHE A 65 -3.361 8.400 -1.634 1.00 0.59 H new ATOM 0 HE2 PHE A 65 -7.386 8.484 -2.919 1.00 3.31 H new ATOM 0 HZ PHE A 65 -5.639 9.237 -1.391 1.00 2.08 H new ATOM 958 N PRO A 66 -5.921 3.070 -5.711 1.00 0.71 N ATOM 959 CA PRO A 66 -7.123 2.256 -5.657 1.00 0.74 C ATOM 960 C PRO A 66 -6.793 0.815 -5.266 1.00 0.71 C ATOM 961 O PRO A 66 -7.644 0.099 -4.739 1.00 0.85 O ATOM 962 CB PRO A 66 -7.738 2.369 -7.042 1.00 0.85 C ATOM 963 CG PRO A 66 -6.624 2.858 -7.954 1.00 0.85 C ATOM 964 CD PRO A 66 -5.490 3.360 -7.076 1.00 0.78 C ATOM 0 HA PRO A 66 -7.825 2.594 -4.895 1.00 0.74 H new ATOM 0 HB2 PRO A 66 -8.124 1.406 -7.378 1.00 0.85 H new ATOM 0 HB3 PRO A 66 -8.576 3.066 -7.041 1.00 0.85 H new ATOM 0 HG2 PRO A 66 -6.278 2.051 -8.600 1.00 0.85 H new ATOM 0 HG3 PRO A 66 -6.985 3.655 -8.604 1.00 0.85 H new ATOM 0 HD2 PRO A 66 -4.553 2.854 -7.311 1.00 0.78 H new ATOM 0 HD3 PRO A 66 -5.321 4.427 -7.219 1.00 0.78 H new ATOM 972 N GLU A 67 -5.554 0.430 -5.538 1.00 0.58 N ATOM 973 CA GLU A 67 -5.100 -0.913 -5.221 1.00 0.56 C ATOM 974 C GLU A 67 -4.955 -1.081 -3.707 1.00 0.53 C ATOM 975 O GLU A 67 -5.536 -1.993 -3.121 1.00 0.61 O ATOM 976 CB GLU A 67 -3.786 -1.231 -5.936 1.00 0.51 C ATOM 977 CG GLU A 67 -3.986 -1.285 -7.452 1.00 0.38 C ATOM 978 CD GLU A 67 -2.695 -1.697 -8.161 1.00 0.39 C ATOM 979 OE1 GLU A 67 -1.649 -1.097 -7.830 1.00 1.78 O ATOM 980 OE2 GLU A 67 -2.782 -2.602 -9.019 1.00 1.83 O ATOM 0 H GLU A 67 -4.851 1.026 -5.975 1.00 0.58 H new ATOM 0 HA GLU A 67 -5.849 -1.621 -5.576 1.00 0.56 H new ATOM 0 HB2 GLU A 67 -3.042 -0.473 -5.691 1.00 0.51 H new ATOM 0 HB3 GLU A 67 -3.397 -2.186 -5.583 1.00 0.51 H new ATOM 0 HG2 GLU A 67 -4.779 -1.993 -7.693 1.00 0.38 H new ATOM 0 HG3 GLU A 67 -4.309 -0.309 -7.815 1.00 0.38 H new ATOM 987 N PHE A 68 -4.176 -0.186 -3.117 1.00 0.48 N ATOM 988 CA PHE A 68 -3.947 -0.224 -1.682 1.00 0.47 C ATOM 989 C PHE A 68 -5.255 -0.029 -0.913 1.00 0.46 C ATOM 990 O PHE A 68 -5.501 -0.710 0.082 1.00 0.46 O ATOM 991 CB PHE A 68 -2.998 0.930 -1.351 1.00 0.47 C ATOM 992 CG PHE A 68 -2.106 0.672 -0.134 1.00 0.61 C ATOM 993 CD1 PHE A 68 -1.547 -0.554 0.051 1.00 1.29 C ATOM 994 CD2 PHE A 68 -1.872 1.668 0.761 1.00 0.43 C ATOM 995 CE1 PHE A 68 -0.719 -0.794 1.179 1.00 1.56 C ATOM 996 CE2 PHE A 68 -1.044 1.429 1.890 1.00 0.47 C ATOM 997 CZ PHE A 68 -0.485 0.203 2.075 1.00 1.07 C ATOM 0 H PHE A 68 -3.696 0.569 -3.606 1.00 0.48 H new ATOM 0 HA PHE A 68 -3.530 -1.190 -1.397 1.00 0.47 H new ATOM 0 HB2 PHE A 68 -2.366 1.127 -2.217 1.00 0.47 H new ATOM 0 HB3 PHE A 68 -3.586 1.831 -1.174 1.00 0.47 H new ATOM 0 HD1 PHE A 68 -1.733 -1.345 -0.660 1.00 1.29 H new ATOM 0 HD2 PHE A 68 -2.316 2.641 0.614 1.00 0.43 H new ATOM 0 HE1 PHE A 68 -0.275 -1.768 1.326 1.00 1.56 H new ATOM 0 HE2 PHE A 68 -0.858 2.220 2.601 1.00 0.47 H new ATOM 0 HZ PHE A 68 0.145 0.021 2.933 1.00 1.07 H new ATOM 1007 N LEU A 69 -6.059 0.903 -1.402 1.00 0.50 N ATOM 1008 CA LEU A 69 -7.336 1.195 -0.773 1.00 0.53 C ATOM 1009 C LEU A 69 -8.050 -0.117 -0.445 1.00 0.49 C ATOM 1010 O LEU A 69 -8.472 -0.332 0.690 1.00 0.48 O ATOM 1011 CB LEU A 69 -8.160 2.143 -1.647 1.00 0.67 C ATOM 1012 CG LEU A 69 -8.900 3.261 -0.912 1.00 1.43 C ATOM 1013 CD1 LEU A 69 -9.597 4.199 -1.899 1.00 2.21 C ATOM 1014 CD2 LEU A 69 -9.873 2.689 0.120 1.00 2.82 C ATOM 0 H LEU A 69 -5.851 1.466 -2.227 1.00 0.50 H new ATOM 0 HA LEU A 69 -7.185 1.720 0.170 1.00 0.53 H new ATOM 0 HB2 LEU A 69 -7.496 2.597 -2.382 1.00 0.67 H new ATOM 0 HB3 LEU A 69 -8.891 1.553 -2.199 1.00 0.67 H new ATOM 0 HG LEU A 69 -8.166 3.855 -0.367 1.00 1.43 H new ATOM 0 HD11 LEU A 69 -10.116 4.985 -1.350 1.00 2.21 H new ATOM 0 HD12 LEU A 69 -8.856 4.647 -2.560 1.00 2.21 H new ATOM 0 HD13 LEU A 69 -10.317 3.634 -2.491 1.00 2.21 H new ATOM 0 HD21 LEU A 69 -10.386 3.506 0.628 1.00 2.82 H new ATOM 0 HD22 LEU A 69 -10.605 2.057 -0.382 1.00 2.82 H new ATOM 0 HD23 LEU A 69 -9.322 2.096 0.850 1.00 2.82 H new ATOM 1026 N THR A 70 -8.165 -0.961 -1.460 1.00 0.55 N ATOM 1027 CA THR A 70 -8.822 -2.247 -1.295 1.00 0.59 C ATOM 1028 C THR A 70 -8.052 -3.113 -0.296 1.00 0.54 C ATOM 1029 O THR A 70 -8.635 -3.650 0.645 1.00 0.59 O ATOM 1030 CB THR A 70 -8.960 -2.888 -2.676 1.00 0.72 C ATOM 1031 OG1 THR A 70 -9.954 -2.101 -3.327 1.00 0.76 O ATOM 1032 CG2 THR A 70 -9.575 -4.288 -2.613 1.00 0.83 C ATOM 0 H THR A 70 -7.814 -0.779 -2.400 1.00 0.55 H new ATOM 0 HA THR A 70 -9.821 -2.131 -0.875 1.00 0.59 H new ATOM 0 HB THR A 70 -7.980 -2.943 -3.150 1.00 0.72 H new ATOM 0 HG1 THR A 70 -10.105 -2.447 -4.231 1.00 0.76 H new ATOM 0 HG21 THR A 70 -9.651 -4.698 -3.620 1.00 0.83 H new ATOM 0 HG22 THR A 70 -8.944 -4.936 -2.004 1.00 0.83 H new ATOM 0 HG23 THR A 70 -10.569 -4.229 -2.170 1.00 0.83 H new ATOM 1040 N MET A 71 -6.753 -3.224 -0.535 1.00 0.55 N ATOM 1041 CA MET A 71 -5.898 -4.017 0.331 1.00 0.55 C ATOM 1042 C MET A 71 -6.227 -3.767 1.804 1.00 0.55 C ATOM 1043 O MET A 71 -6.610 -4.689 2.523 1.00 0.60 O ATOM 1044 CB MET A 71 -4.433 -3.661 0.068 1.00 0.55 C ATOM 1045 CG MET A 71 -3.514 -4.326 1.094 1.00 0.53 C ATOM 1046 SD MET A 71 -3.050 -3.149 2.352 1.00 2.26 S ATOM 1047 CE MET A 71 -1.584 -3.940 2.992 1.00 2.33 C ATOM 0 H MET A 71 -6.272 -2.778 -1.316 1.00 0.55 H new ATOM 0 HA MET A 71 -6.070 -5.071 0.113 1.00 0.55 H new ATOM 0 HB2 MET A 71 -4.153 -3.979 -0.936 1.00 0.55 H new ATOM 0 HB3 MET A 71 -4.305 -2.579 0.107 1.00 0.55 H new ATOM 0 HG2 MET A 71 -4.020 -5.177 1.550 1.00 0.53 H new ATOM 0 HG3 MET A 71 -2.623 -4.712 0.600 1.00 0.53 H new ATOM 0 HE1 MET A 71 -1.163 -3.332 3.793 1.00 2.33 H new ATOM 0 HE2 MET A 71 -1.842 -4.925 3.381 1.00 2.33 H new ATOM 0 HE3 MET A 71 -0.850 -4.047 2.193 1.00 2.33 H new ATOM 1057 N MET A 72 -6.066 -2.516 2.210 1.00 0.52 N ATOM 1058 CA MET A 72 -6.341 -2.134 3.584 1.00 0.56 C ATOM 1059 C MET A 72 -7.775 -2.495 3.977 1.00 0.58 C ATOM 1060 O MET A 72 -7.992 -3.259 4.916 1.00 0.65 O ATOM 1061 CB MET A 72 -6.131 -0.627 3.747 1.00 0.57 C ATOM 1062 CG MET A 72 -4.883 -0.334 4.581 1.00 1.14 C ATOM 1063 SD MET A 72 -5.163 -0.798 6.282 1.00 2.37 S ATOM 1064 CE MET A 72 -5.552 0.799 6.979 1.00 2.58 C ATOM 0 H MET A 72 -5.748 -1.754 1.611 1.00 0.52 H new ATOM 0 HA MET A 72 -5.658 -2.678 4.236 1.00 0.56 H new ATOM 0 HB2 MET A 72 -6.035 -0.162 2.766 1.00 0.57 H new ATOM 0 HB3 MET A 72 -7.005 -0.184 4.225 1.00 0.57 H new ATOM 0 HG2 MET A 72 -4.031 -0.884 4.181 1.00 1.14 H new ATOM 0 HG3 MET A 72 -4.636 0.726 4.520 1.00 1.14 H new ATOM 0 HE1 MET A 72 -4.755 1.104 7.657 1.00 2.58 H new ATOM 0 HE2 MET A 72 -5.647 1.532 6.178 1.00 2.58 H new ATOM 0 HE3 MET A 72 -6.492 0.737 7.528 1.00 2.58 H new ATOM 1074 N ALA A 73 -8.718 -1.928 3.238 1.00 0.56 N ATOM 1075 CA ALA A 73 -10.125 -2.180 3.497 1.00 0.63 C ATOM 1076 C ALA A 73 -10.328 -3.671 3.777 1.00 0.71 C ATOM 1077 O ALA A 73 -10.828 -4.045 4.837 1.00 0.79 O ATOM 1078 CB ALA A 73 -10.959 -1.690 2.312 1.00 0.68 C ATOM 0 H ALA A 73 -8.535 -1.295 2.460 1.00 0.56 H new ATOM 0 HA ALA A 73 -10.458 -1.631 4.378 1.00 0.63 H new ATOM 0 HB1 ALA A 73 -12.015 -1.879 2.507 1.00 0.68 H new ATOM 0 HB2 ALA A 73 -10.802 -0.620 2.174 1.00 0.68 H new ATOM 0 HB3 ALA A 73 -10.656 -2.221 1.409 1.00 0.68 H new ATOM 1084 N ARG A 74 -9.930 -4.482 2.807 1.00 0.72 N ATOM 1085 CA ARG A 74 -10.063 -5.923 2.936 1.00 0.82 C ATOM 1086 C ARG A 74 -9.257 -6.425 4.136 1.00 0.82 C ATOM 1087 O ARG A 74 -9.717 -7.291 4.878 1.00 0.96 O ATOM 1088 CB ARG A 74 -9.579 -6.635 1.671 1.00 0.85 C ATOM 1089 CG ARG A 74 -10.340 -6.142 0.439 1.00 0.75 C ATOM 1090 CD ARG A 74 -10.667 -7.301 -0.504 1.00 1.08 C ATOM 1091 NE ARG A 74 -12.034 -7.801 -0.236 1.00 1.87 N ATOM 1092 CZ ARG A 74 -12.742 -8.548 -1.094 1.00 2.57 C ATOM 1093 NH1 ARG A 74 -12.217 -8.886 -2.280 1.00 3.02 N ATOM 1094 NH2 ARG A 74 -13.975 -8.958 -0.766 1.00 3.95 N ATOM 0 H ARG A 74 -9.516 -4.168 1.929 1.00 0.72 H new ATOM 0 HA ARG A 74 -11.119 -6.147 3.084 1.00 0.82 H new ATOM 0 HB2 ARG A 74 -8.511 -6.461 1.537 1.00 0.85 H new ATOM 0 HB3 ARG A 74 -9.715 -7.711 1.780 1.00 0.85 H new ATOM 0 HG2 ARG A 74 -11.262 -5.650 0.749 1.00 0.75 H new ATOM 0 HG3 ARG A 74 -9.743 -5.397 -0.088 1.00 0.75 H new ATOM 0 HD2 ARG A 74 -10.588 -6.971 -1.540 1.00 1.08 H new ATOM 0 HD3 ARG A 74 -9.944 -8.105 -0.370 1.00 1.08 H new ATOM 0 HE ARG A 74 -12.464 -7.562 0.658 1.00 1.87 H new ATOM 0 HH11 ARG A 74 -11.278 -8.575 -2.530 1.00 3.02 H new ATOM 0 HH12 ARG A 74 -12.756 -9.455 -2.933 1.00 3.02 H new ATOM 0 HH21 ARG A 74 -14.374 -8.701 0.137 1.00 3.95 H new ATOM 0 HH22 ARG A 74 -14.514 -9.527 -1.419 1.00 3.95 H new ATOM 1108 N LYS A 75 -8.068 -5.860 4.288 1.00 0.74 N ATOM 1109 CA LYS A 75 -7.194 -6.239 5.385 1.00 0.79 C ATOM 1110 C LYS A 75 -8.025 -6.406 6.659 1.00 0.89 C ATOM 1111 O LYS A 75 -7.962 -7.446 7.313 1.00 1.05 O ATOM 1112 CB LYS A 75 -6.046 -5.237 5.526 1.00 0.75 C ATOM 1113 CG LYS A 75 -4.801 -5.909 6.110 1.00 0.84 C ATOM 1114 CD LYS A 75 -4.160 -6.854 5.093 1.00 1.52 C ATOM 1115 CE LYS A 75 -4.612 -8.297 5.325 1.00 1.59 C ATOM 1116 NZ LYS A 75 -3.467 -9.139 5.737 1.00 2.13 N ATOM 0 H LYS A 75 -7.690 -5.143 3.670 1.00 0.74 H new ATOM 0 HA LYS A 75 -6.723 -7.201 5.183 1.00 0.79 H new ATOM 0 HB2 LYS A 75 -5.810 -4.810 4.552 1.00 0.75 H new ATOM 0 HB3 LYS A 75 -6.355 -4.413 6.169 1.00 0.75 H new ATOM 0 HG2 LYS A 75 -4.080 -5.149 6.410 1.00 0.84 H new ATOM 0 HG3 LYS A 75 -5.071 -6.464 7.008 1.00 0.84 H new ATOM 0 HD2 LYS A 75 -4.428 -6.543 4.083 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -3.074 -6.793 5.168 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -5.385 -8.323 6.093 1.00 1.59 H new ATOM 0 HE3 LYS A 75 -5.055 -8.697 4.413 1.00 1.59 H new ATOM 0 HZ1 LYS A 75 -3.797 -10.107 5.923 1.00 2.13 H new ATOM 0 HZ2 LYS A 75 -2.757 -9.155 4.977 1.00 2.13 H new ATOM 0 HZ3 LYS A 75 -3.041 -8.747 6.601 1.00 2.13 H new ATOM 1130 N MET A 76 -8.784 -5.367 6.973 1.00 0.88 N ATOM 1131 CA MET A 76 -9.626 -5.386 8.157 1.00 1.00 C ATOM 1132 C MET A 76 -10.618 -6.550 8.106 1.00 1.20 C ATOM 1133 O MET A 76 -10.833 -7.231 9.107 1.00 1.44 O ATOM 1134 CB MET A 76 -10.393 -4.066 8.259 1.00 1.08 C ATOM 1135 CG MET A 76 -9.487 -2.945 8.773 1.00 1.76 C ATOM 1136 SD MET A 76 -10.179 -2.232 10.256 1.00 2.58 S ATOM 1137 CE MET A 76 -9.275 -3.150 11.492 1.00 4.40 C ATOM 0 H MET A 76 -8.834 -4.506 6.428 1.00 0.88 H new ATOM 0 HA MET A 76 -8.988 -5.515 9.031 1.00 1.00 H new ATOM 0 HB2 MET A 76 -10.792 -3.797 7.281 1.00 1.08 H new ATOM 0 HB3 MET A 76 -11.244 -4.187 8.929 1.00 1.08 H new ATOM 0 HG2 MET A 76 -8.491 -3.337 8.979 1.00 1.76 H new ATOM 0 HG3 MET A 76 -9.376 -2.177 8.008 1.00 1.76 H new ATOM 0 HE1 MET A 76 -9.587 -2.827 12.485 1.00 4.40 H new ATOM 0 HE2 MET A 76 -9.478 -4.215 11.376 1.00 4.40 H new ATOM 0 HE3 MET A 76 -8.207 -2.969 11.371 1.00 4.40 H new ATOM 1147 N LYS A 77 -11.195 -6.742 6.929 1.00 1.16 N ATOM 1148 CA LYS A 77 -12.159 -7.812 6.734 1.00 1.37 C ATOM 1149 C LYS A 77 -11.489 -9.156 7.027 1.00 1.46 C ATOM 1150 O LYS A 77 -11.923 -9.890 7.913 1.00 1.76 O ATOM 1151 CB LYS A 77 -12.781 -7.726 5.339 1.00 1.35 C ATOM 1152 CG LYS A 77 -14.307 -7.789 5.414 1.00 1.44 C ATOM 1153 CD LYS A 77 -14.944 -6.671 4.586 1.00 1.62 C ATOM 1154 CE LYS A 77 -15.696 -5.686 5.483 1.00 2.68 C ATOM 1155 NZ LYS A 77 -16.891 -5.160 4.786 1.00 3.08 N ATOM 0 H LYS A 77 -11.014 -6.175 6.101 1.00 1.16 H new ATOM 0 HA LYS A 77 -12.988 -7.709 7.434 1.00 1.37 H new ATOM 0 HB2 LYS A 77 -12.475 -6.797 4.857 1.00 1.35 H new ATOM 0 HB3 LYS A 77 -12.410 -8.543 4.720 1.00 1.35 H new ATOM 0 HG2 LYS A 77 -14.653 -8.757 5.051 1.00 1.44 H new ATOM 0 HG3 LYS A 77 -14.627 -7.705 6.452 1.00 1.44 H new ATOM 0 HD2 LYS A 77 -14.172 -6.143 4.027 1.00 1.62 H new ATOM 0 HD3 LYS A 77 -15.630 -7.100 3.855 1.00 1.62 H new ATOM 0 HE2 LYS A 77 -15.995 -6.181 6.407 1.00 2.68 H new ATOM 0 HE3 LYS A 77 -15.038 -4.863 5.761 1.00 2.68 H new ATOM 0 HZ1 LYS A 77 -17.390 -4.493 5.408 1.00 3.08 H new ATOM 0 HZ2 LYS A 77 -16.598 -4.670 3.917 1.00 3.08 H new ATOM 0 HZ3 LYS A 77 -17.525 -5.947 4.542 1.00 3.08 H new ATOM 1169 N ASP A 78 -10.442 -9.437 6.265 1.00 1.32 N ATOM 1170 CA ASP A 78 -9.708 -10.680 6.431 1.00 1.54 C ATOM 1171 C ASP A 78 -9.328 -10.850 7.904 1.00 1.77 C ATOM 1172 O ASP A 78 -9.744 -11.811 8.549 1.00 2.05 O ATOM 1173 CB ASP A 78 -8.418 -10.672 5.609 1.00 1.52 C ATOM 1174 CG ASP A 78 -8.294 -11.806 4.589 1.00 1.89 C ATOM 1175 OD1 ASP A 78 -8.696 -12.935 4.944 1.00 2.44 O ATOM 1176 OD2 ASP A 78 -7.800 -11.519 3.478 1.00 2.61 O ATOM 0 H ASP A 78 -10.085 -8.825 5.531 1.00 1.32 H new ATOM 0 HA ASP A 78 -10.346 -11.496 6.093 1.00 1.54 H new ATOM 0 HB2 ASP A 78 -8.346 -9.720 5.082 1.00 1.52 H new ATOM 0 HB3 ASP A 78 -7.570 -10.723 6.292 1.00 1.52 H new ATOM 1181 N THR A 79 -8.542 -9.902 8.393 1.00 1.67 N ATOM 1182 CA THR A 79 -8.102 -9.934 9.777 1.00 1.91 C ATOM 1183 C THR A 79 -9.305 -9.890 10.720 1.00 2.05 C ATOM 1184 O THR A 79 -9.234 -10.378 11.847 1.00 2.36 O ATOM 1185 CB THR A 79 -7.121 -8.780 9.988 1.00 1.78 C ATOM 1186 OG1 THR A 79 -6.444 -9.116 11.196 1.00 2.51 O ATOM 1187 CG2 THR A 79 -7.828 -7.462 10.312 1.00 1.56 C ATOM 0 H THR A 79 -8.198 -9.107 7.855 1.00 1.67 H new ATOM 0 HA THR A 79 -7.584 -10.865 10.006 1.00 1.91 H new ATOM 0 HB THR A 79 -6.511 -8.655 9.093 1.00 1.78 H new ATOM 0 HG1 THR A 79 -5.787 -8.420 11.407 1.00 2.51 H new ATOM 0 HG21 THR A 79 -7.086 -6.676 10.452 1.00 1.56 H new ATOM 0 HG22 THR A 79 -8.491 -7.193 9.489 1.00 1.56 H new ATOM 0 HG23 THR A 79 -8.412 -7.577 11.225 1.00 1.56 H new