USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 641 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 74 SER OG : rot 130:sc= -0.0268 USER MOD Set 1.2: A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.742 K(o=-0.74,f=-2.2) USER MOD Single : A 15 TYR OH : rot -39:sc= 0.842 USER MOD Single : A 16 TYR OH : rot -77:sc= 0.193 USER MOD Single : A 18 SER OG : rot 115:sc= 0.489 USER MOD Single : A 20 SER OG : rot -7:sc= 0.507 USER MOD Single : A 21 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 2.03 (180deg=0.264) USER MOD Single : A 35 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.88) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 126:sc= 1.23 USER MOD Single : A 47 SER OG : rot -48:sc= 0.0424 USER MOD Single : A 49 ASN : amide:sc= -0.0599 K(o=-0.06,f=-1.5!) USER MOD Single : A 51 MET CE :methyl -161:sc= -1.43 (180deg=-2.52) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 15:sc= 0.691 USER MOD Single : A 55 SER OG : rot 44:sc= -0.225 USER MOD Single : A 56 THR OG1 : rot 31:sc= 0.544 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.699 USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.0162 (180deg=-0.242) USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= 0.778 (180deg=-0.109) USER MOD Single : A 68 SER OG : rot 104:sc= 0.542 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.689 K(o=0.69,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 6 -4.081 -12.734 -2.389 1.00 0.88 N ATOM 76 CA SER A 6 -3.330 -11.690 -3.057 1.00 0.71 C ATOM 77 C SER A 6 -4.289 -10.608 -3.521 1.00 0.56 C ATOM 78 O SER A 6 -4.047 -9.435 -3.301 1.00 0.45 O ATOM 79 CB SER A 6 -2.525 -12.295 -4.214 1.00 0.86 C ATOM 80 OG SER A 6 -1.640 -11.349 -4.780 1.00 0.84 O ATOM 0 HA SER A 6 -2.616 -11.231 -2.373 1.00 0.71 H new ATOM 0 HB2 SER A 6 -1.959 -13.154 -3.855 1.00 0.86 H new ATOM 0 HB3 SER A 6 -3.207 -12.661 -4.981 1.00 0.86 H new ATOM 0 HG SER A 6 -1.141 -11.766 -5.513 1.00 0.84 H new ATOM 86 N THR A 7 -5.405 -10.998 -4.115 1.00 0.66 N ATOM 87 CA THR A 7 -6.419 -10.099 -4.632 1.00 0.60 C ATOM 88 C THR A 7 -7.213 -9.424 -3.521 1.00 0.48 C ATOM 89 O THR A 7 -7.532 -8.241 -3.637 1.00 0.44 O ATOM 90 CB THR A 7 -7.311 -10.872 -5.610 1.00 0.85 C ATOM 91 OG1 THR A 7 -6.494 -11.437 -6.611 1.00 1.13 O ATOM 92 CG2 THR A 7 -8.356 -9.983 -6.284 1.00 0.89 C ATOM 0 H THR A 7 -5.636 -11.982 -4.254 1.00 0.66 H new ATOM 0 HA THR A 7 -5.935 -9.283 -5.169 1.00 0.60 H new ATOM 0 HB THR A 7 -7.842 -11.634 -5.040 1.00 0.85 H new ATOM 0 HG1 THR A 7 -7.051 -11.937 -7.244 1.00 1.13 H new ATOM 0 HG21 THR A 7 -8.959 -10.583 -6.966 1.00 0.89 H new ATOM 0 HG22 THR A 7 -9.000 -9.539 -5.525 1.00 0.89 H new ATOM 0 HG23 THR A 7 -7.855 -9.192 -6.843 1.00 0.89 H new ATOM 100 N GLN A 8 -7.506 -10.133 -2.432 1.00 0.55 N ATOM 101 CA GLN A 8 -8.165 -9.524 -1.282 1.00 0.60 C ATOM 102 C GLN A 8 -7.288 -8.393 -0.770 1.00 0.54 C ATOM 103 O GLN A 8 -7.770 -7.315 -0.425 1.00 0.63 O ATOM 104 CB GLN A 8 -8.380 -10.567 -0.176 1.00 0.80 C ATOM 105 CG GLN A 8 -9.628 -11.428 -0.422 1.00 0.92 C ATOM 106 CD GLN A 8 -10.919 -10.748 0.023 1.00 1.31 C ATOM 107 OE1 GLN A 8 -10.987 -9.535 0.177 1.00 2.08 O ATOM 108 NE2 GLN A 8 -11.976 -11.523 0.233 1.00 1.73 N ATOM 0 H GLN A 8 -7.298 -11.126 -2.324 1.00 0.55 H new ATOM 0 HA GLN A 8 -9.140 -9.137 -1.577 1.00 0.60 H new ATOM 0 HB2 GLN A 8 -7.503 -11.212 -0.112 1.00 0.80 H new ATOM 0 HB3 GLN A 8 -8.474 -10.061 0.785 1.00 0.80 H new ATOM 0 HG2 GLN A 8 -9.696 -11.664 -1.484 1.00 0.92 H new ATOM 0 HG3 GLN A 8 -9.520 -12.374 0.109 1.00 0.92 H new ATOM 0 HE21 GLN A 8 -11.903 -12.532 0.100 1.00 1.73 H new ATOM 0 HE22 GLN A 8 -12.861 -11.110 0.527 1.00 1.73 H new ATOM 117 N ILE A 9 -5.981 -8.641 -0.725 1.00 0.48 N ATOM 118 CA ILE A 9 -5.065 -7.691 -0.141 1.00 0.46 C ATOM 119 C ILE A 9 -4.840 -6.559 -1.130 1.00 0.35 C ATOM 120 O ILE A 9 -4.719 -5.412 -0.730 1.00 0.41 O ATOM 121 CB ILE A 9 -3.786 -8.380 0.355 1.00 0.59 C ATOM 122 CG1 ILE A 9 -3.443 -7.754 1.707 1.00 1.74 C ATOM 123 CG2 ILE A 9 -2.570 -8.239 -0.561 1.00 1.13 C ATOM 124 CD1 ILE A 9 -2.191 -8.361 2.330 1.00 2.16 C ATOM 0 H ILE A 9 -5.544 -9.489 -1.086 1.00 0.48 H new ATOM 0 HA ILE A 9 -5.491 -7.246 0.758 1.00 0.46 H new ATOM 0 HB ILE A 9 -3.996 -9.449 0.398 1.00 0.59 H new ATOM 0 HG12 ILE A 9 -3.299 -6.681 1.581 1.00 1.74 H new ATOM 0 HG13 ILE A 9 -4.284 -7.885 2.388 1.00 1.74 H new ATOM 0 HG21 ILE A 9 -1.720 -8.760 -0.120 1.00 1.13 H new ATOM 0 HG22 ILE A 9 -2.796 -8.672 -1.535 1.00 1.13 H new ATOM 0 HG23 ILE A 9 -2.325 -7.184 -0.681 1.00 1.13 H new ATOM 0 HD11 ILE A 9 -1.992 -7.881 3.288 1.00 2.16 H new ATOM 0 HD12 ILE A 9 -2.342 -9.429 2.484 1.00 2.16 H new ATOM 0 HD13 ILE A 9 -1.342 -8.207 1.664 1.00 2.16 H new ATOM 136 N LEU A 10 -4.845 -6.869 -2.425 1.00 0.31 N ATOM 137 CA LEU A 10 -4.653 -5.907 -3.499 1.00 0.38 C ATOM 138 C LEU A 10 -5.711 -4.817 -3.403 1.00 0.37 C ATOM 139 O LEU A 10 -5.421 -3.623 -3.355 1.00 0.41 O ATOM 140 CB LEU A 10 -4.776 -6.618 -4.857 1.00 0.55 C ATOM 141 CG LEU A 10 -3.771 -6.078 -5.872 1.00 0.68 C ATOM 142 CD1 LEU A 10 -2.656 -7.110 -6.017 1.00 1.74 C ATOM 143 CD2 LEU A 10 -4.460 -5.847 -7.214 1.00 2.20 C ATOM 0 H LEU A 10 -4.987 -7.822 -2.761 1.00 0.31 H new ATOM 0 HA LEU A 10 -3.662 -5.462 -3.410 1.00 0.38 H new ATOM 0 HB2 LEU A 10 -4.618 -7.688 -4.723 1.00 0.55 H new ATOM 0 HB3 LEU A 10 -5.787 -6.491 -5.244 1.00 0.55 H new ATOM 0 HG LEU A 10 -3.360 -5.126 -5.536 1.00 0.68 H new ATOM 0 HD11 LEU A 10 -1.920 -6.752 -6.737 1.00 1.74 H new ATOM 0 HD12 LEU A 10 -2.174 -7.263 -5.051 1.00 1.74 H new ATOM 0 HD13 LEU A 10 -3.076 -8.053 -6.366 1.00 1.74 H new ATOM 0 HD21 LEU A 10 -3.737 -5.462 -7.933 1.00 2.20 H new ATOM 0 HD22 LEU A 10 -4.869 -6.789 -7.580 1.00 2.20 H new ATOM 0 HD23 LEU A 10 -5.267 -5.125 -7.089 1.00 2.20 H new ATOM 155 N LYS A 11 -6.968 -5.249 -3.359 1.00 0.37 N ATOM 156 CA LYS A 11 -8.091 -4.330 -3.269 1.00 0.44 C ATOM 157 C LYS A 11 -8.083 -3.655 -1.902 1.00 0.43 C ATOM 158 O LYS A 11 -8.533 -2.524 -1.774 1.00 0.55 O ATOM 159 CB LYS A 11 -9.387 -5.087 -3.575 1.00 0.61 C ATOM 160 CG LYS A 11 -9.401 -5.472 -5.067 1.00 1.72 C ATOM 161 CD LYS A 11 -10.129 -6.790 -5.333 1.00 1.83 C ATOM 162 CE LYS A 11 -11.640 -6.645 -5.170 1.00 2.18 C ATOM 163 NZ LYS A 11 -12.316 -7.948 -5.342 1.00 3.08 N ATOM 0 H LYS A 11 -7.232 -6.234 -3.385 1.00 0.37 H new ATOM 0 HA LYS A 11 -8.011 -3.534 -4.009 1.00 0.44 H new ATOM 0 HB2 LYS A 11 -9.457 -5.981 -2.955 1.00 0.61 H new ATOM 0 HB3 LYS A 11 -10.251 -4.466 -3.338 1.00 0.61 H new ATOM 0 HG2 LYS A 11 -9.880 -4.676 -5.638 1.00 1.72 H new ATOM 0 HG3 LYS A 11 -8.375 -5.550 -5.427 1.00 1.72 H new ATOM 0 HD2 LYS A 11 -9.903 -7.133 -6.343 1.00 1.83 H new ATOM 0 HD3 LYS A 11 -9.761 -7.554 -4.648 1.00 1.83 H new ATOM 0 HE2 LYS A 11 -11.866 -6.241 -4.183 1.00 2.18 H new ATOM 0 HE3 LYS A 11 -12.022 -5.933 -5.902 1.00 2.18 H new ATOM 0 HZ1 LYS A 11 -13.342 -7.825 -5.227 1.00 3.08 H new ATOM 0 HZ2 LYS A 11 -12.117 -8.320 -6.293 1.00 3.08 H new ATOM 0 HZ3 LYS A 11 -11.966 -8.618 -4.628 1.00 3.08 H new ATOM 177 N GLN A 12 -7.532 -4.306 -0.878 1.00 0.40 N ATOM 178 CA GLN A 12 -7.349 -3.670 0.420 1.00 0.45 C ATOM 179 C GLN A 12 -6.280 -2.568 0.376 1.00 0.44 C ATOM 180 O GLN A 12 -6.411 -1.564 1.073 1.00 0.54 O ATOM 181 CB GLN A 12 -7.074 -4.699 1.521 1.00 0.55 C ATOM 182 CG GLN A 12 -8.353 -5.107 2.261 1.00 1.08 C ATOM 183 CD GLN A 12 -8.813 -4.010 3.223 1.00 1.66 C ATOM 184 OE1 GLN A 12 -8.010 -3.407 3.923 1.00 2.82 O ATOM 185 NE2 GLN A 12 -10.107 -3.731 3.298 1.00 2.45 N ATOM 0 H GLN A 12 -7.206 -5.271 -0.925 1.00 0.40 H new ATOM 0 HA GLN A 12 -8.289 -3.180 0.672 1.00 0.45 H new ATOM 0 HB2 GLN A 12 -6.611 -5.583 1.083 1.00 0.55 H new ATOM 0 HB3 GLN A 12 -6.360 -4.285 2.233 1.00 0.55 H new ATOM 0 HG2 GLN A 12 -9.143 -5.315 1.539 1.00 1.08 H new ATOM 0 HG3 GLN A 12 -8.177 -6.029 2.815 1.00 1.08 H new ATOM 0 HE21 GLN A 12 -10.772 -4.236 2.713 1.00 2.45 H new ATOM 0 HE22 GLN A 12 -10.437 -3.011 3.941 1.00 2.45 H new ATOM 194 N VAL A 13 -5.229 -2.719 -0.432 1.00 0.39 N ATOM 195 CA VAL A 13 -4.192 -1.707 -0.572 1.00 0.44 C ATOM 196 C VAL A 13 -4.840 -0.474 -1.183 1.00 0.44 C ATOM 197 O VAL A 13 -4.665 0.633 -0.675 1.00 0.50 O ATOM 198 CB VAL A 13 -3.028 -2.269 -1.410 1.00 0.49 C ATOM 199 CG1 VAL A 13 -2.084 -1.187 -1.937 1.00 0.73 C ATOM 200 CG2 VAL A 13 -2.169 -3.245 -0.598 1.00 0.69 C ATOM 0 H VAL A 13 -5.077 -3.548 -1.006 1.00 0.39 H new ATOM 0 HA VAL A 13 -3.759 -1.425 0.388 1.00 0.44 H new ATOM 0 HB VAL A 13 -3.513 -2.770 -2.248 1.00 0.49 H new ATOM 0 HG11 VAL A 13 -1.287 -1.651 -2.518 1.00 0.73 H new ATOM 0 HG12 VAL A 13 -2.640 -0.496 -2.570 1.00 0.73 H new ATOM 0 HG13 VAL A 13 -1.651 -0.642 -1.098 1.00 0.73 H new ATOM 0 HG21 VAL A 13 -1.358 -3.621 -1.221 1.00 0.69 H new ATOM 0 HG22 VAL A 13 -1.752 -2.730 0.268 1.00 0.69 H new ATOM 0 HG23 VAL A 13 -2.785 -4.079 -0.262 1.00 0.69 H new ATOM 210 N GLU A 14 -5.613 -0.662 -2.256 1.00 0.41 N ATOM 211 CA GLU A 14 -6.373 0.428 -2.841 1.00 0.46 C ATOM 212 C GLU A 14 -7.298 1.058 -1.815 1.00 0.38 C ATOM 213 O GLU A 14 -7.323 2.280 -1.704 1.00 0.40 O ATOM 214 CB GLU A 14 -7.118 -0.047 -4.100 1.00 0.63 C ATOM 215 CG GLU A 14 -7.876 1.074 -4.842 1.00 1.77 C ATOM 216 CD GLU A 14 -9.376 1.198 -4.566 1.00 2.58 C ATOM 217 OE1 GLU A 14 -9.845 0.714 -3.516 1.00 3.59 O ATOM 218 OE2 GLU A 14 -10.063 1.876 -5.372 1.00 3.44 O ATOM 0 H GLU A 14 -5.724 -1.558 -2.730 1.00 0.41 H new ATOM 0 HA GLU A 14 -5.682 1.210 -3.156 1.00 0.46 H new ATOM 0 HB2 GLU A 14 -6.401 -0.501 -4.784 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -7.827 -0.826 -3.818 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -7.406 2.025 -4.591 1.00 1.77 H new ATOM 0 HG3 GLU A 14 -7.740 0.924 -5.913 1.00 1.77 H new ATOM 225 N TYR A 15 -8.011 0.240 -1.046 1.00 0.36 N ATOM 226 CA TYR A 15 -9.079 0.643 -0.166 1.00 0.35 C ATOM 227 C TYR A 15 -8.586 1.684 0.832 1.00 0.37 C ATOM 228 O TYR A 15 -9.265 2.682 1.046 1.00 0.42 O ATOM 229 CB TYR A 15 -9.641 -0.610 0.511 1.00 0.36 C ATOM 230 CG TYR A 15 -10.207 -0.342 1.873 1.00 0.46 C ATOM 231 CD1 TYR A 15 -11.444 0.300 2.002 1.00 0.80 C ATOM 232 CD2 TYR A 15 -9.398 -0.581 2.996 1.00 0.57 C ATOM 233 CE1 TYR A 15 -11.861 0.749 3.263 1.00 0.94 C ATOM 234 CE2 TYR A 15 -9.809 -0.137 4.254 1.00 0.64 C ATOM 235 CZ TYR A 15 -11.035 0.558 4.395 1.00 0.73 C ATOM 236 OH TYR A 15 -11.390 1.084 5.598 1.00 0.89 O ATOM 0 H TYR A 15 -7.844 -0.766 -1.026 1.00 0.36 H new ATOM 0 HA TYR A 15 -9.882 1.121 -0.726 1.00 0.35 H new ATOM 0 HB2 TYR A 15 -10.419 -1.038 -0.121 1.00 0.36 H new ATOM 0 HB3 TYR A 15 -8.851 -1.356 0.593 1.00 0.36 H new ATOM 0 HD1 TYR A 15 -12.073 0.448 1.136 1.00 0.80 H new ATOM 0 HD2 TYR A 15 -8.461 -1.107 2.887 1.00 0.57 H new ATOM 0 HE1 TYR A 15 -12.816 1.242 3.370 1.00 0.94 H new ATOM 0 HE2 TYR A 15 -9.192 -0.324 5.120 1.00 0.64 H new ATOM 0 HH TYR A 15 -11.778 1.974 5.464 1.00 0.89 H new ATOM 246 N TYR A 16 -7.401 1.493 1.420 1.00 0.37 N ATOM 247 CA TYR A 16 -6.880 2.440 2.407 1.00 0.44 C ATOM 248 C TYR A 16 -6.843 3.869 1.855 1.00 0.58 C ATOM 249 O TYR A 16 -7.048 4.837 2.592 1.00 0.76 O ATOM 250 CB TYR A 16 -5.510 1.979 2.909 1.00 0.42 C ATOM 251 CG TYR A 16 -5.546 0.822 3.882 1.00 0.58 C ATOM 252 CD1 TYR A 16 -6.029 1.025 5.187 1.00 1.41 C ATOM 253 CD2 TYR A 16 -4.961 -0.406 3.531 1.00 2.14 C ATOM 254 CE1 TYR A 16 -5.848 0.034 6.165 1.00 1.34 C ATOM 255 CE2 TYR A 16 -4.792 -1.403 4.504 1.00 2.46 C ATOM 256 CZ TYR A 16 -5.194 -1.174 5.833 1.00 1.28 C ATOM 257 OH TYR A 16 -4.900 -2.101 6.787 1.00 1.67 O ATOM 0 H TYR A 16 -6.790 0.698 1.231 1.00 0.37 H new ATOM 0 HA TYR A 16 -7.560 2.459 3.259 1.00 0.44 H new ATOM 0 HB2 TYR A 16 -4.901 1.694 2.051 1.00 0.42 H new ATOM 0 HB3 TYR A 16 -5.012 2.822 3.388 1.00 0.42 H new ATOM 0 HD1 TYR A 16 -6.539 1.943 5.437 1.00 1.41 H new ATOM 0 HD2 TYR A 16 -4.642 -0.582 2.514 1.00 2.14 H new ATOM 0 HE1 TYR A 16 -6.208 0.195 7.170 1.00 1.34 H new ATOM 0 HE2 TYR A 16 -4.351 -2.351 4.232 1.00 2.46 H new ATOM 0 HH TYR A 16 -4.121 -1.805 7.302 1.00 1.67 H new ATOM 267 N PHE A 17 -6.613 4.013 0.552 1.00 0.59 N ATOM 268 CA PHE A 17 -6.670 5.300 -0.117 1.00 0.79 C ATOM 269 C PHE A 17 -8.063 5.618 -0.659 1.00 0.89 C ATOM 270 O PHE A 17 -8.453 6.784 -0.712 1.00 1.33 O ATOM 271 CB PHE A 17 -5.634 5.322 -1.238 1.00 0.88 C ATOM 272 CG PHE A 17 -4.211 5.328 -0.731 1.00 1.00 C ATOM 273 CD1 PHE A 17 -3.524 4.128 -0.457 1.00 0.94 C ATOM 274 CD2 PHE A 17 -3.577 6.560 -0.503 1.00 1.68 C ATOM 275 CE1 PHE A 17 -2.219 4.170 0.066 1.00 1.19 C ATOM 276 CE2 PHE A 17 -2.283 6.598 0.027 1.00 2.01 C ATOM 277 CZ PHE A 17 -1.607 5.409 0.324 1.00 1.65 C ATOM 0 H PHE A 17 -6.382 3.236 -0.067 1.00 0.59 H new ATOM 0 HA PHE A 17 -6.444 6.075 0.616 1.00 0.79 H new ATOM 0 HB2 PHE A 17 -5.782 4.452 -1.878 1.00 0.88 H new ATOM 0 HB3 PHE A 17 -5.796 6.204 -1.857 1.00 0.88 H new ATOM 0 HD1 PHE A 17 -3.999 3.177 -0.648 1.00 0.94 H new ATOM 0 HD2 PHE A 17 -4.090 7.481 -0.738 1.00 1.68 H new ATOM 0 HE1 PHE A 17 -1.688 3.252 0.269 1.00 1.19 H new ATOM 0 HE2 PHE A 17 -1.804 7.549 0.208 1.00 2.01 H new ATOM 0 HZ PHE A 17 -0.616 5.443 0.751 1.00 1.65 H new ATOM 287 N SER A 18 -8.794 4.600 -1.098 1.00 0.55 N ATOM 288 CA SER A 18 -10.075 4.705 -1.776 1.00 0.62 C ATOM 289 C SER A 18 -11.128 5.289 -0.855 1.00 0.58 C ATOM 290 O SER A 18 -11.969 6.088 -1.257 1.00 0.70 O ATOM 291 CB SER A 18 -10.469 3.316 -2.264 1.00 0.81 C ATOM 292 OG SER A 18 -11.341 3.359 -3.372 1.00 0.75 O ATOM 0 H SER A 18 -8.492 3.632 -0.984 1.00 0.55 H new ATOM 0 HA SER A 18 -9.994 5.381 -2.627 1.00 0.62 H new ATOM 0 HB2 SER A 18 -9.571 2.761 -2.534 1.00 0.81 H new ATOM 0 HB3 SER A 18 -10.947 2.771 -1.450 1.00 0.81 H new ATOM 0 HG SER A 18 -10.891 2.982 -4.157 1.00 0.75 H new ATOM 298 N ASP A 19 -11.016 4.945 0.421 1.00 0.54 N ATOM 299 CA ASP A 19 -11.914 5.324 1.496 1.00 0.53 C ATOM 300 C ASP A 19 -11.575 6.724 2.002 1.00 0.46 C ATOM 301 O ASP A 19 -11.955 7.118 3.100 1.00 0.50 O ATOM 302 CB ASP A 19 -11.684 4.254 2.565 1.00 0.57 C ATOM 303 CG ASP A 19 -12.755 4.169 3.648 1.00 0.75 C ATOM 304 OD1 ASP A 19 -13.903 4.572 3.366 1.00 1.84 O ATOM 305 OD2 ASP A 19 -12.432 3.584 4.711 1.00 1.39 O ATOM 0 H ASP A 19 -10.249 4.359 0.750 1.00 0.54 H new ATOM 0 HA ASP A 19 -12.959 5.370 1.191 1.00 0.53 H new ATOM 0 HB2 ASP A 19 -11.611 3.284 2.074 1.00 0.57 H new ATOM 0 HB3 ASP A 19 -10.723 4.443 3.043 1.00 0.57 H new ATOM 310 N SER A 20 -10.803 7.480 1.212 1.00 0.43 N ATOM 311 CA SER A 20 -10.226 8.767 1.546 1.00 0.46 C ATOM 312 C SER A 20 -9.637 8.781 2.955 1.00 0.47 C ATOM 313 O SER A 20 -9.630 9.815 3.617 1.00 0.55 O ATOM 314 CB SER A 20 -11.271 9.856 1.288 1.00 0.57 C ATOM 315 OG SER A 20 -12.372 9.797 2.172 1.00 2.33 O ATOM 0 H SER A 20 -10.556 7.183 0.268 1.00 0.43 H new ATOM 0 HA SER A 20 -9.371 8.973 0.902 1.00 0.46 H new ATOM 0 HB2 SER A 20 -10.796 10.833 1.376 1.00 0.57 H new ATOM 0 HB3 SER A 20 -11.632 9.768 0.263 1.00 0.57 H new ATOM 0 HG SER A 20 -12.310 8.985 2.718 1.00 2.33 H new ATOM 321 N ASN A 21 -9.135 7.633 3.418 1.00 0.48 N ATOM 322 CA ASN A 21 -8.661 7.516 4.782 1.00 0.57 C ATOM 323 C ASN A 21 -7.171 7.828 4.854 1.00 0.50 C ATOM 324 O ASN A 21 -6.687 8.228 5.904 1.00 0.56 O ATOM 325 CB ASN A 21 -9.028 6.151 5.370 1.00 0.79 C ATOM 326 CG ASN A 21 -8.877 6.163 6.890 1.00 1.07 C ATOM 327 OD1 ASN A 21 -9.124 7.170 7.551 1.00 1.61 O ATOM 328 ND2 ASN A 21 -8.474 5.038 7.457 1.00 1.69 N ATOM 0 H ASN A 21 -9.050 6.780 2.864 1.00 0.48 H new ATOM 0 HA ASN A 21 -9.163 8.256 5.405 1.00 0.57 H new ATOM 0 HB2 ASN A 21 -10.054 5.898 5.103 1.00 0.79 H new ATOM 0 HB3 ASN A 21 -8.388 5.380 4.941 1.00 0.79 H new ATOM 0 HD21 ASN A 21 -8.360 4.989 8.469 1.00 1.69 H new ATOM 0 HD22 ASN A 21 -8.277 4.219 6.882 1.00 1.69 H new ATOM 335 N PHE A 22 -6.435 7.762 3.736 1.00 0.47 N ATOM 336 CA PHE A 22 -5.016 8.103 3.735 1.00 0.54 C ATOM 337 C PHE A 22 -4.757 9.509 4.283 1.00 0.48 C ATOM 338 O PHE A 22 -3.918 9.644 5.170 1.00 0.53 O ATOM 339 CB PHE A 22 -4.418 7.918 2.329 1.00 0.65 C ATOM 340 CG PHE A 22 -3.639 9.098 1.774 1.00 0.58 C ATOM 341 CD1 PHE A 22 -2.421 9.496 2.355 1.00 2.00 C ATOM 342 CD2 PHE A 22 -4.166 9.829 0.698 1.00 1.85 C ATOM 343 CE1 PHE A 22 -1.757 10.638 1.879 1.00 2.20 C ATOM 344 CE2 PHE A 22 -3.512 10.977 0.236 1.00 2.06 C ATOM 345 CZ PHE A 22 -2.301 11.385 0.822 1.00 1.41 C ATOM 0 H PHE A 22 -6.801 7.477 2.828 1.00 0.47 H new ATOM 0 HA PHE A 22 -4.510 7.414 4.412 1.00 0.54 H new ATOM 0 HB2 PHE A 22 -3.759 7.050 2.348 1.00 0.65 H new ATOM 0 HB3 PHE A 22 -5.229 7.687 1.639 1.00 0.65 H new ATOM 0 HD1 PHE A 22 -1.997 8.923 3.167 1.00 2.00 H new ATOM 0 HD2 PHE A 22 -5.081 9.504 0.224 1.00 1.85 H new ATOM 0 HE1 PHE A 22 -0.823 10.943 2.328 1.00 2.20 H new ATOM 0 HE2 PHE A 22 -3.939 11.551 -0.573 1.00 2.06 H new ATOM 0 HZ PHE A 22 -1.793 12.267 0.462 1.00 1.41 H new ATOM 355 N PRO A 23 -5.424 10.569 3.800 1.00 0.45 N ATOM 356 CA PRO A 23 -5.102 11.915 4.228 1.00 0.53 C ATOM 357 C PRO A 23 -5.502 12.151 5.684 1.00 0.50 C ATOM 358 O PRO A 23 -5.089 13.147 6.274 1.00 0.61 O ATOM 359 CB PRO A 23 -5.857 12.849 3.284 1.00 0.65 C ATOM 360 CG PRO A 23 -7.035 12.017 2.784 1.00 0.57 C ATOM 361 CD PRO A 23 -6.563 10.570 2.902 1.00 0.48 C ATOM 0 HA PRO A 23 -4.028 12.094 4.185 1.00 0.53 H new ATOM 0 HB2 PRO A 23 -6.196 13.747 3.801 1.00 0.65 H new ATOM 0 HB3 PRO A 23 -5.224 13.176 2.459 1.00 0.65 H new ATOM 0 HG2 PRO A 23 -7.928 12.193 3.384 1.00 0.57 H new ATOM 0 HG3 PRO A 23 -7.289 12.268 1.754 1.00 0.57 H new ATOM 0 HD2 PRO A 23 -7.360 9.934 3.289 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -6.285 10.174 1.925 1.00 0.48 H new ATOM 369 N ARG A 24 -6.328 11.263 6.244 1.00 0.47 N ATOM 370 CA ARG A 24 -6.853 11.336 7.593 1.00 0.54 C ATOM 371 C ARG A 24 -5.947 10.572 8.560 1.00 0.49 C ATOM 372 O ARG A 24 -5.793 10.962 9.720 1.00 0.67 O ATOM 373 CB ARG A 24 -8.259 10.728 7.538 1.00 0.64 C ATOM 374 CG ARG A 24 -9.060 11.033 8.794 1.00 0.78 C ATOM 375 CD ARG A 24 -10.425 10.344 8.690 1.00 1.50 C ATOM 376 NE ARG A 24 -11.102 10.329 9.990 1.00 1.71 N ATOM 377 CZ ARG A 24 -10.803 9.483 10.985 1.00 2.04 C ATOM 378 NH1 ARG A 24 -9.894 8.518 10.809 1.00 2.68 N ATOM 379 NH2 ARG A 24 -11.412 9.626 12.165 1.00 2.66 N ATOM 0 H ARG A 24 -6.658 10.440 5.740 1.00 0.47 H new ATOM 0 HA ARG A 24 -6.893 12.363 7.956 1.00 0.54 H new ATOM 0 HB2 ARG A 24 -8.788 11.116 6.667 1.00 0.64 H new ATOM 0 HB3 ARG A 24 -8.183 9.648 7.410 1.00 0.64 H new ATOM 0 HG2 ARG A 24 -8.526 10.681 9.677 1.00 0.78 H new ATOM 0 HG3 ARG A 24 -9.188 12.109 8.907 1.00 0.78 H new ATOM 0 HD2 ARG A 24 -11.044 10.863 7.959 1.00 1.50 H new ATOM 0 HD3 ARG A 24 -10.295 9.323 8.331 1.00 1.50 H new ATOM 0 HE ARG A 24 -11.849 11.006 10.147 1.00 1.71 H new ATOM 0 HH11 ARG A 24 -9.421 8.421 9.911 1.00 2.68 H new ATOM 0 HH12 ARG A 24 -9.674 7.879 11.573 1.00 2.68 H new ATOM 0 HH21 ARG A 24 -12.095 10.372 12.300 1.00 2.66 H new ATOM 0 HH22 ARG A 24 -11.194 8.989 12.932 1.00 2.66 H new ATOM 393 N ASP A 25 -5.352 9.477 8.091 1.00 0.37 N ATOM 394 CA ASP A 25 -4.569 8.576 8.908 1.00 0.38 C ATOM 395 C ASP A 25 -3.107 8.977 8.786 1.00 0.37 C ATOM 396 O ASP A 25 -2.418 8.689 7.809 1.00 0.42 O ATOM 397 CB ASP A 25 -4.815 7.115 8.510 1.00 0.58 C ATOM 398 CG ASP A 25 -6.017 6.500 9.236 1.00 1.51 C ATOM 399 OD1 ASP A 25 -6.697 7.229 9.999 1.00 2.75 O ATOM 400 OD2 ASP A 25 -6.232 5.282 9.047 1.00 2.12 O ATOM 0 H ASP A 25 -5.407 9.193 7.113 1.00 0.37 H new ATOM 0 HA ASP A 25 -4.869 8.652 9.953 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -4.977 7.058 7.434 1.00 0.58 H new ATOM 0 HB3 ASP A 25 -3.923 6.528 8.729 1.00 0.58 H new ATOM 405 N LYS A 26 -2.630 9.635 9.841 1.00 0.39 N ATOM 406 CA LYS A 26 -1.276 10.161 9.978 1.00 0.41 C ATOM 407 C LYS A 26 -0.213 9.094 9.727 1.00 0.40 C ATOM 408 O LYS A 26 0.903 9.428 9.352 1.00 0.43 O ATOM 409 CB LYS A 26 -1.072 10.846 11.339 1.00 0.49 C ATOM 410 CG LYS A 26 -2.150 11.906 11.615 1.00 1.96 C ATOM 411 CD LYS A 26 -3.251 11.380 12.548 1.00 2.60 C ATOM 412 CE LYS A 26 -4.549 12.153 12.296 1.00 4.59 C ATOM 413 NZ LYS A 26 -5.694 11.546 13.005 1.00 5.61 N ATOM 0 H LYS A 26 -3.206 9.824 10.662 1.00 0.39 H new ATOM 0 HA LYS A 26 -1.154 10.919 9.204 1.00 0.41 H new ATOM 0 HB2 LYS A 26 -1.090 10.096 12.129 1.00 0.49 H new ATOM 0 HB3 LYS A 26 -0.088 11.314 11.366 1.00 0.49 H new ATOM 0 HG2 LYS A 26 -1.687 12.786 12.061 1.00 1.96 H new ATOM 0 HG3 LYS A 26 -2.595 12.224 10.672 1.00 1.96 H new ATOM 0 HD2 LYS A 26 -3.410 10.316 12.376 1.00 2.60 H new ATOM 0 HD3 LYS A 26 -2.945 11.492 13.588 1.00 2.60 H new ATOM 0 HE2 LYS A 26 -4.426 13.186 12.621 1.00 4.59 H new ATOM 0 HE3 LYS A 26 -4.756 12.178 11.226 1.00 4.59 H new ATOM 0 HZ1 LYS A 26 -6.554 12.097 12.810 1.00 5.61 H new ATOM 0 HZ2 LYS A 26 -5.827 10.568 12.676 1.00 5.61 H new ATOM 0 HZ3 LYS A 26 -5.508 11.545 14.028 1.00 5.61 H new ATOM 427 N PHE A 27 -0.557 7.819 9.911 1.00 0.40 N ATOM 428 CA PHE A 27 0.277 6.690 9.544 1.00 0.41 C ATOM 429 C PHE A 27 0.641 6.768 8.067 1.00 0.35 C ATOM 430 O PHE A 27 1.821 6.826 7.727 1.00 0.39 O ATOM 431 CB PHE A 27 -0.488 5.402 9.868 1.00 0.46 C ATOM 432 CG PHE A 27 0.356 4.150 9.782 1.00 0.48 C ATOM 433 CD1 PHE A 27 1.444 4.002 10.658 1.00 1.50 C ATOM 434 CD2 PHE A 27 0.053 3.129 8.861 1.00 1.95 C ATOM 435 CE1 PHE A 27 2.227 2.839 10.621 1.00 1.50 C ATOM 436 CE2 PHE A 27 0.831 1.958 8.832 1.00 1.96 C ATOM 437 CZ PHE A 27 1.915 1.810 9.715 1.00 0.55 C ATOM 0 H PHE A 27 -1.445 7.543 10.330 1.00 0.40 H new ATOM 0 HA PHE A 27 1.209 6.702 10.108 1.00 0.41 H new ATOM 0 HB2 PHE A 27 -0.903 5.480 10.873 1.00 0.46 H new ATOM 0 HB3 PHE A 27 -1.330 5.309 9.182 1.00 0.46 H new ATOM 0 HD1 PHE A 27 1.678 4.786 11.362 1.00 1.50 H new ATOM 0 HD2 PHE A 27 -0.776 3.245 8.178 1.00 1.95 H new ATOM 0 HE1 PHE A 27 3.070 2.734 11.288 1.00 1.50 H new ATOM 0 HE2 PHE A 27 0.596 1.171 8.131 1.00 1.96 H new ATOM 0 HZ PHE A 27 2.507 0.907 9.697 1.00 0.55 H new ATOM 447 N LEU A 28 -0.361 6.800 7.183 1.00 0.29 N ATOM 448 CA LEU A 28 -0.074 6.881 5.762 1.00 0.26 C ATOM 449 C LEU A 28 0.579 8.212 5.476 1.00 0.27 C ATOM 450 O LEU A 28 1.642 8.238 4.879 1.00 0.36 O ATOM 451 CB LEU A 28 -1.318 6.718 4.892 1.00 0.36 C ATOM 452 CG LEU A 28 -1.860 5.284 4.962 1.00 0.34 C ATOM 453 CD1 LEU A 28 -3.220 5.267 5.671 1.00 0.56 C ATOM 454 CD2 LEU A 28 -1.935 4.716 3.540 1.00 0.58 C ATOM 0 H LEU A 28 -1.352 6.772 7.425 1.00 0.29 H new ATOM 0 HA LEU A 28 0.592 6.056 5.510 1.00 0.26 H new ATOM 0 HB2 LEU A 28 -2.088 7.417 5.219 1.00 0.36 H new ATOM 0 HB3 LEU A 28 -1.078 6.969 3.859 1.00 0.36 H new ATOM 0 HG LEU A 28 -1.193 4.651 5.547 1.00 0.34 H new ATOM 0 HD11 LEU A 28 -3.595 4.244 5.715 1.00 0.56 H new ATOM 0 HD12 LEU A 28 -3.108 5.656 6.683 1.00 0.56 H new ATOM 0 HD13 LEU A 28 -3.926 5.889 5.120 1.00 0.56 H new ATOM 0 HD21 LEU A 28 -2.319 3.696 3.575 1.00 0.58 H new ATOM 0 HD22 LEU A 28 -2.600 5.333 2.936 1.00 0.58 H new ATOM 0 HD23 LEU A 28 -0.939 4.714 3.096 1.00 0.58 H new ATOM 466 N ARG A 29 -0.031 9.319 5.903 1.00 0.28 N ATOM 467 CA ARG A 29 0.497 10.652 5.645 1.00 0.34 C ATOM 468 C ARG A 29 1.950 10.806 6.054 1.00 0.35 C ATOM 469 O ARG A 29 2.634 11.600 5.426 1.00 0.39 O ATOM 470 CB ARG A 29 -0.337 11.756 6.299 1.00 0.43 C ATOM 471 CG ARG A 29 -1.497 12.178 5.400 1.00 1.17 C ATOM 472 CD ARG A 29 -1.983 13.580 5.789 1.00 1.17 C ATOM 473 NE ARG A 29 -2.602 14.271 4.649 1.00 2.22 N ATOM 474 CZ ARG A 29 -1.925 14.752 3.594 1.00 3.05 C ATOM 475 NH1 ARG A 29 -0.596 14.631 3.533 1.00 3.74 N ATOM 476 NH2 ARG A 29 -2.570 15.352 2.594 1.00 4.26 N ATOM 0 H ARG A 29 -0.901 9.313 6.435 1.00 0.28 H new ATOM 0 HA ARG A 29 0.435 10.766 4.563 1.00 0.34 H new ATOM 0 HB2 ARG A 29 -0.724 11.405 7.256 1.00 0.43 H new ATOM 0 HB3 ARG A 29 0.296 12.618 6.509 1.00 0.43 H new ATOM 0 HG2 ARG A 29 -1.180 12.171 4.357 1.00 1.17 H new ATOM 0 HG3 ARG A 29 -2.315 11.463 5.489 1.00 1.17 H new ATOM 0 HD2 ARG A 29 -2.703 13.504 6.604 1.00 1.17 H new ATOM 0 HD3 ARG A 29 -1.143 14.168 6.160 1.00 1.17 H new ATOM 0 HE ARG A 29 -3.615 14.393 4.660 1.00 2.22 H new ATOM 0 HH11 ARG A 29 -0.090 14.171 4.290 1.00 3.74 H new ATOM 0 HH12 ARG A 29 -0.087 14.998 2.729 1.00 3.74 H new ATOM 0 HH21 ARG A 29 -3.585 15.448 2.627 1.00 4.26 H new ATOM 0 HH22 ARG A 29 -2.049 15.715 1.796 1.00 4.26 H new ATOM 490 N SER A 30 2.433 10.113 7.081 1.00 0.36 N ATOM 491 CA SER A 30 3.831 10.226 7.458 1.00 0.40 C ATOM 492 C SER A 30 4.705 9.763 6.301 1.00 0.35 C ATOM 493 O SER A 30 5.685 10.422 5.951 1.00 0.42 O ATOM 494 CB SER A 30 4.084 9.398 8.722 1.00 0.47 C ATOM 495 OG SER A 30 5.416 9.561 9.168 1.00 1.47 O ATOM 0 H SER A 30 1.883 9.477 7.658 1.00 0.36 H new ATOM 0 HA SER A 30 4.082 11.264 7.677 1.00 0.40 H new ATOM 0 HB2 SER A 30 3.392 9.703 9.507 1.00 0.47 H new ATOM 0 HB3 SER A 30 3.890 8.345 8.518 1.00 0.47 H new ATOM 0 HG SER A 30 5.558 9.026 9.977 1.00 1.47 H new ATOM 501 N GLU A 31 4.364 8.626 5.703 1.00 0.28 N ATOM 502 CA GLU A 31 5.175 8.068 4.637 1.00 0.28 C ATOM 503 C GLU A 31 4.924 8.786 3.322 1.00 0.26 C ATOM 504 O GLU A 31 5.876 9.180 2.656 1.00 0.29 O ATOM 505 CB GLU A 31 4.979 6.551 4.585 1.00 0.35 C ATOM 506 CG GLU A 31 6.303 5.802 4.380 1.00 1.03 C ATOM 507 CD GLU A 31 7.393 6.079 5.434 1.00 1.57 C ATOM 508 OE1 GLU A 31 7.226 6.983 6.286 1.00 2.39 O ATOM 509 OE2 GLU A 31 8.443 5.412 5.331 1.00 2.25 O ATOM 0 H GLU A 31 3.536 8.079 5.939 1.00 0.28 H new ATOM 0 HA GLU A 31 6.233 8.234 4.842 1.00 0.28 H new ATOM 0 HB2 GLU A 31 4.513 6.215 5.511 1.00 0.35 H new ATOM 0 HB3 GLU A 31 4.294 6.302 3.775 1.00 0.35 H new ATOM 0 HG2 GLU A 31 6.097 4.732 4.369 1.00 1.03 H new ATOM 0 HG3 GLU A 31 6.698 6.061 3.398 1.00 1.03 H new ATOM 516 N ALA A 32 3.661 9.047 2.997 1.00 0.25 N ATOM 517 CA ALA A 32 3.276 9.821 1.834 1.00 0.27 C ATOM 518 C ALA A 32 3.939 11.202 1.860 1.00 0.34 C ATOM 519 O ALA A 32 4.316 11.723 0.814 1.00 0.40 O ATOM 520 CB ALA A 32 1.750 9.902 1.814 1.00 0.32 C ATOM 0 H ALA A 32 2.868 8.718 3.547 1.00 0.25 H new ATOM 0 HA ALA A 32 3.618 9.343 0.916 1.00 0.27 H new ATOM 0 HB1 ALA A 32 1.428 10.480 0.948 1.00 0.32 H new ATOM 0 HB2 ALA A 32 1.333 8.897 1.755 1.00 0.32 H new ATOM 0 HB3 ALA A 32 1.399 10.387 2.725 1.00 0.32 H new ATOM 526 N ALA A 33 4.152 11.785 3.047 1.00 0.37 N ATOM 527 CA ALA A 33 4.787 13.089 3.204 1.00 0.44 C ATOM 528 C ALA A 33 6.239 13.120 2.715 1.00 0.44 C ATOM 529 O ALA A 33 6.808 14.203 2.610 1.00 0.57 O ATOM 530 CB ALA A 33 4.703 13.554 4.665 1.00 0.50 C ATOM 0 H ALA A 33 3.883 11.355 3.932 1.00 0.37 H new ATOM 0 HA ALA A 33 4.233 13.780 2.569 1.00 0.44 H new ATOM 0 HB1 ALA A 33 5.181 14.528 4.765 1.00 0.50 H new ATOM 0 HB2 ALA A 33 3.657 13.631 4.963 1.00 0.50 H new ATOM 0 HB3 ALA A 33 5.211 12.833 5.306 1.00 0.50 H new ATOM 536 N LYS A 34 6.849 11.984 2.362 1.00 0.41 N ATOM 537 CA LYS A 34 8.190 11.995 1.797 1.00 0.44 C ATOM 538 C LYS A 34 8.131 12.350 0.305 1.00 0.44 C ATOM 539 O LYS A 34 9.150 12.766 -0.233 1.00 0.52 O ATOM 540 CB LYS A 34 8.878 10.635 2.021 1.00 0.48 C ATOM 541 CG LYS A 34 9.960 10.671 3.113 1.00 0.65 C ATOM 542 CD LYS A 34 9.432 10.854 4.544 1.00 0.84 C ATOM 543 CE LYS A 34 8.487 9.705 4.917 1.00 2.17 C ATOM 544 NZ LYS A 34 8.214 9.618 6.368 1.00 3.01 N ATOM 0 H LYS A 34 6.435 11.057 2.459 1.00 0.41 H new ATOM 0 HA LYS A 34 8.783 12.756 2.304 1.00 0.44 H new ATOM 0 HB2 LYS A 34 8.125 9.895 2.291 1.00 0.48 H new ATOM 0 HB3 LYS A 34 9.328 10.305 1.085 1.00 0.48 H new ATOM 0 HG2 LYS A 34 10.531 9.744 3.068 1.00 0.65 H new ATOM 0 HG3 LYS A 34 10.653 11.483 2.891 1.00 0.65 H new ATOM 0 HD2 LYS A 34 10.266 10.889 5.244 1.00 0.84 H new ATOM 0 HD3 LYS A 34 8.907 11.806 4.626 1.00 0.84 H new ATOM 0 HE2 LYS A 34 7.545 9.832 4.384 1.00 2.17 H new ATOM 0 HE3 LYS A 34 8.920 8.764 4.579 1.00 2.17 H new ATOM 0 HZ1 LYS A 34 8.133 8.619 6.647 1.00 3.01 H new ATOM 0 HZ2 LYS A 34 8.993 10.063 6.895 1.00 3.01 H new ATOM 0 HZ3 LYS A 34 7.324 10.111 6.584 1.00 3.01 H new ATOM 558 N ASN A 35 6.975 12.224 -0.363 1.00 0.44 N ATOM 559 CA ASN A 35 6.714 12.795 -1.687 1.00 0.53 C ATOM 560 C ASN A 35 5.215 12.872 -1.946 1.00 0.54 C ATOM 561 O ASN A 35 4.735 12.142 -2.799 1.00 0.62 O ATOM 562 CB ASN A 35 7.392 11.985 -2.812 1.00 0.63 C ATOM 563 CG ASN A 35 8.816 12.429 -3.104 1.00 1.19 C ATOM 564 OD1 ASN A 35 9.082 13.616 -3.241 1.00 2.03 O ATOM 565 ND2 ASN A 35 9.735 11.489 -3.287 1.00 2.19 N ATOM 0 H ASN A 35 6.179 11.710 0.014 1.00 0.44 H new ATOM 0 HA ASN A 35 7.140 13.798 -1.692 1.00 0.53 H new ATOM 0 HB2 ASN A 35 7.398 10.930 -2.537 1.00 0.63 H new ATOM 0 HB3 ASN A 35 6.798 12.074 -3.722 1.00 0.63 H new ATOM 0 HD21 ASN A 35 10.686 11.750 -3.547 1.00 2.19 H new ATOM 0 HD22 ASN A 35 9.490 10.506 -3.167 1.00 2.19 H new ATOM 572 N VAL A 36 4.490 13.785 -1.293 1.00 0.57 N ATOM 573 CA VAL A 36 3.056 14.024 -1.469 1.00 0.60 C ATOM 574 C VAL A 36 2.217 12.774 -1.173 1.00 0.53 C ATOM 575 O VAL A 36 1.596 12.705 -0.113 1.00 0.51 O ATOM 576 CB VAL A 36 2.798 14.646 -2.853 1.00 0.69 C ATOM 577 CG1 VAL A 36 1.305 14.804 -3.161 1.00 0.95 C ATOM 578 CG2 VAL A 36 3.454 16.030 -2.939 1.00 0.67 C ATOM 0 H VAL A 36 4.905 14.404 -0.597 1.00 0.57 H new ATOM 0 HA VAL A 36 2.721 14.750 -0.728 1.00 0.60 H new ATOM 0 HB VAL A 36 3.229 13.962 -3.584 1.00 0.69 H new ATOM 0 HG11 VAL A 36 1.182 15.247 -4.149 1.00 0.95 H new ATOM 0 HG12 VAL A 36 0.824 13.826 -3.140 1.00 0.95 H new ATOM 0 HG13 VAL A 36 0.846 15.451 -2.414 1.00 0.95 H new ATOM 0 HG21 VAL A 36 3.266 16.461 -3.922 1.00 0.67 H new ATOM 0 HG22 VAL A 36 3.034 16.680 -2.171 1.00 0.67 H new ATOM 0 HG23 VAL A 36 4.529 15.933 -2.785 1.00 0.67 H new ATOM 588 N ASP A 37 2.167 11.831 -2.116 1.00 0.54 N ATOM 589 CA ASP A 37 1.574 10.497 -1.967 1.00 0.50 C ATOM 590 C ASP A 37 2.123 9.544 -3.041 1.00 0.52 C ATOM 591 O ASP A 37 1.426 8.706 -3.615 1.00 0.59 O ATOM 592 CB ASP A 37 0.042 10.581 -2.026 1.00 0.60 C ATOM 593 CG ASP A 37 -0.597 9.287 -1.521 1.00 1.11 C ATOM 594 OD1 ASP A 37 0.098 8.557 -0.778 1.00 2.16 O ATOM 595 OD2 ASP A 37 -1.785 9.059 -1.846 1.00 1.88 O ATOM 0 H ASP A 37 2.556 11.982 -3.047 1.00 0.54 H new ATOM 0 HA ASP A 37 1.849 10.097 -0.991 1.00 0.50 H new ATOM 0 HB2 ASP A 37 -0.303 11.421 -1.423 1.00 0.60 H new ATOM 0 HB3 ASP A 37 -0.276 10.772 -3.051 1.00 0.60 H new ATOM 600 N ASN A 38 3.395 9.735 -3.383 1.00 0.50 N ATOM 601 CA ASN A 38 4.101 8.998 -4.417 1.00 0.57 C ATOM 602 C ASN A 38 5.187 8.107 -3.825 1.00 0.56 C ATOM 603 O ASN A 38 5.947 7.502 -4.578 1.00 0.83 O ATOM 604 CB ASN A 38 4.671 9.978 -5.451 1.00 0.72 C ATOM 605 CG ASN A 38 3.563 10.749 -6.160 1.00 1.50 C ATOM 606 OD1 ASN A 38 2.977 11.670 -5.604 1.00 3.09 O ATOM 607 ND2 ASN A 38 3.253 10.388 -7.398 1.00 1.86 N ATOM 0 H ASN A 38 3.981 10.435 -2.928 1.00 0.50 H new ATOM 0 HA ASN A 38 3.396 8.336 -4.920 1.00 0.57 H new ATOM 0 HB2 ASN A 38 5.345 10.678 -4.957 1.00 0.72 H new ATOM 0 HB3 ASN A 38 5.262 9.431 -6.185 1.00 0.72 H new ATOM 0 HD21 ASN A 38 2.516 10.880 -7.903 1.00 1.86 H new ATOM 0 HD22 ASN A 38 3.752 9.619 -7.845 1.00 1.86 H new ATOM 614 N TYR A 39 5.311 8.064 -2.496 1.00 0.50 N ATOM 615 CA TYR A 39 6.320 7.267 -1.830 1.00 0.51 C ATOM 616 C TYR A 39 5.674 6.673 -0.592 1.00 0.42 C ATOM 617 O TYR A 39 5.213 7.410 0.273 1.00 0.43 O ATOM 618 CB TYR A 39 7.538 8.128 -1.479 1.00 0.60 C ATOM 619 CG TYR A 39 8.758 7.323 -1.077 1.00 1.53 C ATOM 620 CD1 TYR A 39 8.782 6.620 0.143 1.00 3.37 C ATOM 621 CD2 TYR A 39 9.865 7.253 -1.945 1.00 1.90 C ATOM 622 CE1 TYR A 39 9.891 5.821 0.477 1.00 4.67 C ATOM 623 CE2 TYR A 39 10.987 6.480 -1.603 1.00 3.02 C ATOM 624 CZ TYR A 39 10.998 5.746 -0.397 1.00 4.28 C ATOM 625 OH TYR A 39 12.073 4.968 -0.092 1.00 5.63 O ATOM 0 H TYR A 39 4.709 8.585 -1.859 1.00 0.50 H new ATOM 0 HA TYR A 39 6.683 6.469 -2.478 1.00 0.51 H new ATOM 0 HB2 TYR A 39 7.791 8.751 -2.337 1.00 0.60 H new ATOM 0 HB3 TYR A 39 7.273 8.801 -0.664 1.00 0.60 H new ATOM 0 HD1 TYR A 39 7.947 6.694 0.824 1.00 3.37 H new ATOM 0 HD2 TYR A 39 9.851 7.796 -2.878 1.00 1.90 H new ATOM 0 HE1 TYR A 39 9.896 5.265 1.403 1.00 4.67 H new ATOM 0 HE2 TYR A 39 11.841 6.447 -2.263 1.00 3.02 H new ATOM 0 HH TYR A 39 12.740 5.037 -0.807 1.00 5.63 H new ATOM 635 N ILE A 40 5.578 5.345 -0.532 1.00 0.37 N ATOM 636 CA ILE A 40 4.962 4.649 0.582 1.00 0.31 C ATOM 637 C ILE A 40 5.803 3.392 0.809 1.00 0.28 C ATOM 638 O ILE A 40 5.748 2.473 -0.007 1.00 0.29 O ATOM 639 CB ILE A 40 3.481 4.321 0.273 1.00 0.36 C ATOM 640 CG1 ILE A 40 2.688 5.504 -0.336 1.00 0.42 C ATOM 641 CG2 ILE A 40 2.804 3.860 1.574 1.00 0.45 C ATOM 642 CD1 ILE A 40 1.387 5.096 -1.036 1.00 0.43 C ATOM 0 H ILE A 40 5.929 4.725 -1.262 1.00 0.37 H new ATOM 0 HA ILE A 40 4.942 5.260 1.485 1.00 0.31 H new ATOM 0 HB ILE A 40 3.476 3.537 -0.484 1.00 0.36 H new ATOM 0 HG12 ILE A 40 2.453 6.215 0.456 1.00 0.42 H new ATOM 0 HG13 ILE A 40 3.325 6.023 -1.052 1.00 0.42 H new ATOM 0 HG21 ILE A 40 1.758 3.624 1.376 1.00 0.45 H new ATOM 0 HG22 ILE A 40 3.311 2.973 1.953 1.00 0.45 H new ATOM 0 HG23 ILE A 40 2.862 4.656 2.316 1.00 0.45 H new ATOM 0 HD11 ILE A 40 0.894 5.983 -1.434 1.00 0.43 H new ATOM 0 HD12 ILE A 40 1.613 4.410 -1.852 1.00 0.43 H new ATOM 0 HD13 ILE A 40 0.728 4.605 -0.321 1.00 0.43 H new ATOM 654 N SER A 41 6.615 3.360 1.864 1.00 0.32 N ATOM 655 CA SER A 41 7.476 2.244 2.181 1.00 0.31 C ATOM 656 C SER A 41 6.661 0.981 2.409 1.00 0.28 C ATOM 657 O SER A 41 5.623 1.006 3.076 1.00 0.31 O ATOM 658 CB SER A 41 8.294 2.606 3.420 1.00 0.39 C ATOM 659 OG SER A 41 8.976 3.812 3.158 1.00 2.18 O ATOM 0 H SER A 41 6.687 4.129 2.530 1.00 0.32 H new ATOM 0 HA SER A 41 8.148 2.043 1.346 1.00 0.31 H new ATOM 0 HB2 SER A 41 7.643 2.718 4.287 1.00 0.39 H new ATOM 0 HB3 SER A 41 9.002 1.811 3.654 1.00 0.39 H new ATOM 0 HG SER A 41 8.777 4.460 3.865 1.00 2.18 H new ATOM 665 N ILE A 42 7.184 -0.149 1.930 1.00 0.27 N ATOM 666 CA ILE A 42 6.605 -1.447 2.234 1.00 0.30 C ATOM 667 C ILE A 42 6.621 -1.734 3.727 1.00 0.29 C ATOM 668 O ILE A 42 5.942 -2.652 4.160 1.00 0.35 O ATOM 669 CB ILE A 42 7.267 -2.574 1.430 1.00 0.35 C ATOM 670 CG1 ILE A 42 8.745 -2.801 1.801 1.00 1.59 C ATOM 671 CG2 ILE A 42 7.109 -2.256 -0.057 1.00 1.56 C ATOM 672 CD1 ILE A 42 8.919 -4.106 2.582 1.00 1.97 C ATOM 0 H ILE A 42 8.008 -0.185 1.330 1.00 0.27 H new ATOM 0 HA ILE A 42 5.560 -1.410 1.925 1.00 0.30 H new ATOM 0 HB ILE A 42 6.767 -3.511 1.675 1.00 0.35 H new ATOM 0 HG12 ILE A 42 9.351 -2.831 0.895 1.00 1.59 H new ATOM 0 HG13 ILE A 42 9.107 -1.964 2.399 1.00 1.59 H new ATOM 0 HG21 ILE A 42 7.573 -3.045 -0.649 1.00 1.56 H new ATOM 0 HG22 ILE A 42 6.049 -2.192 -0.305 1.00 1.56 H new ATOM 0 HG23 ILE A 42 7.592 -1.304 -0.279 1.00 1.56 H new ATOM 0 HD11 ILE A 42 9.971 -4.243 2.832 1.00 1.97 H new ATOM 0 HD12 ILE A 42 8.331 -4.063 3.499 1.00 1.97 H new ATOM 0 HD13 ILE A 42 8.579 -4.943 1.972 1.00 1.97 H new ATOM 684 N ASP A 43 7.333 -0.944 4.525 1.00 0.28 N ATOM 685 CA ASP A 43 7.319 -1.082 5.970 1.00 0.31 C ATOM 686 C ASP A 43 5.935 -0.707 6.493 1.00 0.31 C ATOM 687 O ASP A 43 5.375 -1.402 7.334 1.00 0.33 O ATOM 688 CB ASP A 43 8.391 -0.185 6.608 1.00 0.39 C ATOM 689 CG ASP A 43 9.826 -0.586 6.249 1.00 0.97 C ATOM 690 OD1 ASP A 43 9.996 -1.341 5.266 1.00 1.87 O ATOM 691 OD2 ASP A 43 10.738 -0.097 6.946 1.00 2.18 O ATOM 0 H ASP A 43 7.933 -0.193 4.185 1.00 0.28 H new ATOM 0 HA ASP A 43 7.542 -2.115 6.236 1.00 0.31 H new ATOM 0 HB2 ASP A 43 8.222 0.845 6.295 1.00 0.39 H new ATOM 0 HB3 ASP A 43 8.276 -0.212 7.692 1.00 0.39 H new ATOM 696 N VAL A 44 5.355 0.389 5.996 1.00 0.31 N ATOM 697 CA VAL A 44 4.052 0.866 6.416 1.00 0.35 C ATOM 698 C VAL A 44 2.997 -0.133 5.960 1.00 0.37 C ATOM 699 O VAL A 44 2.148 -0.534 6.748 1.00 0.41 O ATOM 700 CB VAL A 44 3.859 2.295 5.870 1.00 0.35 C ATOM 701 CG1 VAL A 44 2.441 2.608 5.402 1.00 0.42 C ATOM 702 CG2 VAL A 44 4.265 3.285 6.963 1.00 0.39 C ATOM 0 H VAL A 44 5.791 0.972 5.281 1.00 0.31 H new ATOM 0 HA VAL A 44 3.959 0.933 7.500 1.00 0.35 H new ATOM 0 HB VAL A 44 4.486 2.382 4.983 1.00 0.35 H new ATOM 0 HG11 VAL A 44 2.397 3.633 5.034 1.00 0.42 H new ATOM 0 HG12 VAL A 44 2.163 1.923 4.601 1.00 0.42 H new ATOM 0 HG13 VAL A 44 1.749 2.492 6.236 1.00 0.42 H new ATOM 0 HG21 VAL A 44 4.136 4.304 6.597 1.00 0.39 H new ATOM 0 HG22 VAL A 44 3.639 3.133 7.842 1.00 0.39 H new ATOM 0 HG23 VAL A 44 5.310 3.125 7.229 1.00 0.39 H new ATOM 712 N ILE A 45 3.049 -0.560 4.698 1.00 0.37 N ATOM 713 CA ILE A 45 2.019 -1.439 4.159 1.00 0.38 C ATOM 714 C ILE A 45 2.135 -2.817 4.823 1.00 0.41 C ATOM 715 O ILE A 45 1.135 -3.444 5.151 1.00 0.44 O ATOM 716 CB ILE A 45 2.119 -1.515 2.626 1.00 0.42 C ATOM 717 CG1 ILE A 45 2.237 -0.125 1.942 1.00 0.46 C ATOM 718 CG2 ILE A 45 0.872 -2.202 2.047 1.00 0.46 C ATOM 719 CD1 ILE A 45 3.276 -0.045 0.813 1.00 0.49 C ATOM 0 H ILE A 45 3.787 -0.313 4.038 1.00 0.37 H new ATOM 0 HA ILE A 45 1.031 -1.037 4.385 1.00 0.38 H new ATOM 0 HB ILE A 45 3.029 -2.080 2.422 1.00 0.42 H new ATOM 0 HG12 ILE A 45 1.262 0.149 1.539 1.00 0.46 H new ATOM 0 HG13 ILE A 45 2.488 0.617 2.700 1.00 0.46 H new ATOM 0 HG21 ILE A 45 0.954 -2.250 0.961 1.00 0.46 H new ATOM 0 HG22 ILE A 45 0.793 -3.212 2.450 1.00 0.46 H new ATOM 0 HG23 ILE A 45 -0.017 -1.632 2.319 1.00 0.46 H new ATOM 0 HD11 ILE A 45 3.285 0.963 0.398 1.00 0.49 H new ATOM 0 HD12 ILE A 45 4.263 -0.283 1.209 1.00 0.49 H new ATOM 0 HD13 ILE A 45 3.018 -0.758 0.030 1.00 0.49 H new ATOM 731 N ALA A 46 3.350 -3.297 5.072 1.00 0.42 N ATOM 732 CA ALA A 46 3.552 -4.547 5.785 1.00 0.49 C ATOM 733 C ALA A 46 3.152 -4.403 7.248 1.00 0.53 C ATOM 734 O ALA A 46 2.788 -5.388 7.885 1.00 0.69 O ATOM 735 CB ALA A 46 5.013 -4.991 5.697 1.00 0.50 C ATOM 0 H ALA A 46 4.212 -2.833 4.787 1.00 0.42 H new ATOM 0 HA ALA A 46 2.922 -5.303 5.316 1.00 0.49 H new ATOM 0 HB1 ALA A 46 5.141 -5.929 6.238 1.00 0.50 H new ATOM 0 HB2 ALA A 46 5.287 -5.134 4.652 1.00 0.50 H new ATOM 0 HB3 ALA A 46 5.653 -4.227 6.139 1.00 0.50 H new ATOM 741 N SER A 47 3.219 -3.188 7.788 1.00 0.46 N ATOM 742 CA SER A 47 2.865 -2.913 9.172 1.00 0.50 C ATOM 743 C SER A 47 1.476 -2.273 9.240 1.00 0.50 C ATOM 744 O SER A 47 1.115 -1.667 10.242 1.00 0.63 O ATOM 745 CB SER A 47 3.955 -2.037 9.798 1.00 0.54 C ATOM 746 OG SER A 47 3.913 -2.102 11.208 1.00 0.78 O ATOM 0 H SER A 47 3.523 -2.363 7.271 1.00 0.46 H new ATOM 0 HA SER A 47 2.810 -3.837 9.747 1.00 0.50 H new ATOM 0 HB2 SER A 47 4.934 -2.362 9.445 1.00 0.54 H new ATOM 0 HB3 SER A 47 3.826 -1.004 9.475 1.00 0.54 H new ATOM 0 HG SER A 47 2.991 -1.972 11.514 1.00 0.78 H new ATOM 752 N PHE A 48 0.635 -2.448 8.215 1.00 0.47 N ATOM 753 CA PHE A 48 -0.689 -1.827 8.207 1.00 0.47 C ATOM 754 C PHE A 48 -1.715 -2.611 9.039 1.00 0.55 C ATOM 755 O PHE A 48 -2.916 -2.454 8.817 1.00 0.97 O ATOM 756 CB PHE A 48 -1.167 -1.720 6.753 1.00 0.47 C ATOM 757 CG PHE A 48 -1.782 -0.418 6.327 1.00 0.36 C ATOM 758 CD1 PHE A 48 -2.479 0.402 7.232 1.00 1.94 C ATOM 759 CD2 PHE A 48 -1.684 -0.063 4.970 1.00 1.91 C ATOM 760 CE1 PHE A 48 -3.085 1.577 6.769 1.00 2.16 C ATOM 761 CE2 PHE A 48 -2.288 1.109 4.509 1.00 1.80 C ATOM 762 CZ PHE A 48 -3.001 1.913 5.410 1.00 0.82 C ATOM 0 H PHE A 48 0.846 -3.009 7.390 1.00 0.47 H new ATOM 0 HA PHE A 48 -0.605 -0.841 8.664 1.00 0.47 H new ATOM 0 HB2 PHE A 48 -0.316 -1.921 6.102 1.00 0.47 H new ATOM 0 HB3 PHE A 48 -1.896 -2.511 6.578 1.00 0.47 H new ATOM 0 HD1 PHE A 48 -2.547 0.128 8.275 1.00 1.94 H new ATOM 0 HD2 PHE A 48 -1.142 -0.697 4.284 1.00 1.91 H new ATOM 0 HE1 PHE A 48 -3.614 2.221 7.455 1.00 2.16 H new ATOM 0 HE2 PHE A 48 -2.207 1.393 3.470 1.00 1.80 H new ATOM 0 HZ PHE A 48 -3.493 2.805 5.052 1.00 0.82 H new ATOM 772 N ASN A 49 -1.264 -3.472 9.959 1.00 0.43 N ATOM 773 CA ASN A 49 -2.037 -4.453 10.717 1.00 0.46 C ATOM 774 C ASN A 49 -2.857 -5.363 9.808 1.00 0.44 C ATOM 775 O ASN A 49 -2.445 -6.491 9.561 1.00 0.44 O ATOM 776 CB ASN A 49 -2.884 -3.790 11.816 1.00 0.58 C ATOM 777 CG ASN A 49 -2.013 -3.194 12.918 1.00 1.78 C ATOM 778 OD1 ASN A 49 -1.048 -2.495 12.650 1.00 3.36 O ATOM 779 ND2 ASN A 49 -2.317 -3.460 14.180 1.00 2.08 N ATOM 0 H ASN A 49 -0.275 -3.500 10.209 1.00 0.43 H new ATOM 0 HA ASN A 49 -1.323 -5.099 11.228 1.00 0.46 H new ATOM 0 HB2 ASN A 49 -3.501 -3.007 11.377 1.00 0.58 H new ATOM 0 HB3 ASN A 49 -3.562 -4.527 12.247 1.00 0.58 H new ATOM 0 HD21 ASN A 49 -1.744 -3.080 14.934 1.00 2.08 H new ATOM 0 HD22 ASN A 49 -3.124 -4.044 14.398 1.00 2.08 H new ATOM 786 N ARG A 50 -3.990 -4.884 9.289 1.00 0.47 N ATOM 787 CA ARG A 50 -4.898 -5.642 8.431 1.00 0.49 C ATOM 788 C ARG A 50 -4.138 -6.310 7.289 1.00 0.44 C ATOM 789 O ARG A 50 -4.426 -7.446 6.937 1.00 0.47 O ATOM 790 CB ARG A 50 -5.977 -4.710 7.863 1.00 0.59 C ATOM 791 CG ARG A 50 -7.355 -5.365 7.813 1.00 0.82 C ATOM 792 CD ARG A 50 -8.246 -4.519 6.898 1.00 0.83 C ATOM 793 NE ARG A 50 -9.668 -4.865 7.045 1.00 1.40 N ATOM 794 CZ ARG A 50 -10.520 -4.310 7.918 1.00 1.69 C ATOM 795 NH1 ARG A 50 -10.107 -3.354 8.751 1.00 2.56 N ATOM 796 NH2 ARG A 50 -11.788 -4.719 7.961 1.00 2.26 N ATOM 0 H ARG A 50 -4.308 -3.930 9.460 1.00 0.47 H new ATOM 0 HA ARG A 50 -5.369 -6.420 9.032 1.00 0.49 H new ATOM 0 HB2 ARG A 50 -6.030 -3.808 8.473 1.00 0.59 H new ATOM 0 HB3 ARG A 50 -5.690 -4.399 6.858 1.00 0.59 H new ATOM 0 HG2 ARG A 50 -7.279 -6.385 7.435 1.00 0.82 H new ATOM 0 HG3 ARG A 50 -7.785 -5.427 8.813 1.00 0.82 H new ATOM 0 HD2 ARG A 50 -8.104 -3.463 7.128 1.00 0.83 H new ATOM 0 HD3 ARG A 50 -7.942 -4.663 5.861 1.00 0.83 H new ATOM 0 HE ARG A 50 -10.037 -5.590 6.430 1.00 1.40 H new ATOM 0 HH11 ARG A 50 -9.137 -3.040 8.726 1.00 2.56 H new ATOM 0 HH12 ARG A 50 -10.761 -2.936 9.413 1.00 2.56 H new ATOM 0 HH21 ARG A 50 -12.109 -5.453 7.330 1.00 2.26 H new ATOM 0 HH22 ARG A 50 -12.438 -4.298 8.625 1.00 2.26 H new ATOM 810 N MET A 51 -3.169 -5.602 6.712 1.00 0.39 N ATOM 811 CA MET A 51 -2.263 -6.129 5.705 1.00 0.37 C ATOM 812 C MET A 51 -1.532 -7.341 6.258 1.00 0.35 C ATOM 813 O MET A 51 -1.634 -8.429 5.705 1.00 0.42 O ATOM 814 CB MET A 51 -1.245 -5.063 5.298 1.00 0.51 C ATOM 815 CG MET A 51 -1.888 -4.016 4.394 1.00 1.08 C ATOM 816 SD MET A 51 -2.122 -4.591 2.699 1.00 1.65 S ATOM 817 CE MET A 51 -3.826 -4.084 2.401 1.00 1.57 C ATOM 0 H MET A 51 -2.992 -4.624 6.940 1.00 0.39 H new ATOM 0 HA MET A 51 -2.843 -6.419 4.829 1.00 0.37 H new ATOM 0 HB2 MET A 51 -0.840 -4.582 6.188 1.00 0.51 H new ATOM 0 HB3 MET A 51 -0.408 -5.532 4.781 1.00 0.51 H new ATOM 0 HG2 MET A 51 -2.854 -3.729 4.810 1.00 1.08 H new ATOM 0 HG3 MET A 51 -1.266 -3.121 4.385 1.00 1.08 H new ATOM 0 HE1 MET A 51 -4.230 -4.644 1.558 1.00 1.57 H new ATOM 0 HE2 MET A 51 -4.425 -4.283 3.289 1.00 1.57 H new ATOM 0 HE3 MET A 51 -3.854 -3.018 2.175 1.00 1.57 H new ATOM 827 N LYS A 52 -0.800 -7.174 7.359 1.00 0.37 N ATOM 828 CA LYS A 52 0.001 -8.243 7.934 1.00 0.40 C ATOM 829 C LYS A 52 -0.851 -9.481 8.188 1.00 0.39 C ATOM 830 O LYS A 52 -0.381 -10.596 7.995 1.00 0.45 O ATOM 831 CB LYS A 52 0.690 -7.738 9.207 1.00 0.47 C ATOM 832 CG LYS A 52 1.731 -8.742 9.718 1.00 0.73 C ATOM 833 CD LYS A 52 2.842 -8.012 10.481 1.00 1.55 C ATOM 834 CE LYS A 52 3.736 -9.025 11.202 1.00 1.68 C ATOM 835 NZ LYS A 52 4.942 -8.386 11.771 1.00 2.92 N ATOM 0 H LYS A 52 -0.749 -6.294 7.873 1.00 0.37 H new ATOM 0 HA LYS A 52 0.776 -8.539 7.228 1.00 0.40 H new ATOM 0 HB2 LYS A 52 1.173 -6.782 9.006 1.00 0.47 H new ATOM 0 HB3 LYS A 52 -0.057 -7.561 9.981 1.00 0.47 H new ATOM 0 HG2 LYS A 52 1.252 -9.473 10.370 1.00 0.73 H new ATOM 0 HG3 LYS A 52 2.157 -9.293 8.880 1.00 0.73 H new ATOM 0 HD2 LYS A 52 3.438 -7.416 9.790 1.00 1.55 H new ATOM 0 HD3 LYS A 52 2.406 -7.322 11.203 1.00 1.55 H new ATOM 0 HE2 LYS A 52 3.170 -9.507 11.999 1.00 1.68 H new ATOM 0 HE3 LYS A 52 4.034 -9.808 10.505 1.00 1.68 H new ATOM 0 HZ1 LYS A 52 5.522 -9.104 12.251 1.00 2.92 H new ATOM 0 HZ2 LYS A 52 5.496 -7.948 11.007 1.00 2.92 H new ATOM 0 HZ3 LYS A 52 4.658 -7.656 12.456 1.00 2.92 H new ATOM 849 N THR A 53 -2.105 -9.304 8.597 1.00 0.36 N ATOM 850 CA THR A 53 -2.989 -10.416 8.886 1.00 0.40 C ATOM 851 C THR A 53 -3.517 -11.066 7.612 1.00 0.41 C ATOM 852 O THR A 53 -3.487 -12.287 7.500 1.00 0.47 O ATOM 853 CB THR A 53 -4.109 -9.929 9.806 1.00 0.44 C ATOM 854 OG1 THR A 53 -4.705 -8.738 9.343 1.00 0.45 O ATOM 855 CG2 THR A 53 -3.478 -9.605 11.155 1.00 0.48 C ATOM 0 H THR A 53 -2.530 -8.387 8.735 1.00 0.36 H new ATOM 0 HA THR A 53 -2.432 -11.199 9.401 1.00 0.40 H new ATOM 0 HB THR A 53 -4.871 -10.707 9.853 1.00 0.44 H new ATOM 0 HG1 THR A 53 -4.455 -8.590 8.407 1.00 0.45 H new ATOM 0 HG21 THR A 53 -4.248 -9.253 11.842 1.00 0.48 H new ATOM 0 HG22 THR A 53 -3.011 -10.501 11.563 1.00 0.48 H new ATOM 0 HG23 THR A 53 -2.724 -8.829 11.027 1.00 0.48 H new ATOM 863 N ILE A 54 -4.003 -10.287 6.641 1.00 0.41 N ATOM 864 CA ILE A 54 -4.578 -10.877 5.433 1.00 0.47 C ATOM 865 C ILE A 54 -3.483 -11.625 4.680 1.00 0.49 C ATOM 866 O ILE A 54 -3.707 -12.708 4.151 1.00 0.61 O ATOM 867 CB ILE A 54 -5.241 -9.795 4.554 1.00 0.55 C ATOM 868 CG1 ILE A 54 -6.511 -9.195 5.174 1.00 0.60 C ATOM 869 CG2 ILE A 54 -5.529 -10.298 3.128 1.00 0.69 C ATOM 870 CD1 ILE A 54 -7.638 -10.206 5.295 1.00 1.45 C ATOM 0 H ILE A 54 -4.010 -9.267 6.667 1.00 0.41 H new ATOM 0 HA ILE A 54 -5.362 -11.583 5.706 1.00 0.47 H new ATOM 0 HB ILE A 54 -4.505 -8.993 4.495 1.00 0.55 H new ATOM 0 HG12 ILE A 54 -6.276 -8.799 6.162 1.00 0.60 H new ATOM 0 HG13 ILE A 54 -6.846 -8.355 4.565 1.00 0.60 H new ATOM 0 HG21 ILE A 54 -5.995 -9.501 2.548 1.00 0.69 H new ATOM 0 HG22 ILE A 54 -4.595 -10.595 2.651 1.00 0.69 H new ATOM 0 HG23 ILE A 54 -6.201 -11.155 3.173 1.00 0.69 H new ATOM 0 HD11 ILE A 54 -8.510 -9.727 5.740 1.00 1.45 H new ATOM 0 HD12 ILE A 54 -7.896 -10.583 4.306 1.00 1.45 H new ATOM 0 HD13 ILE A 54 -7.317 -11.034 5.927 1.00 1.45 H new ATOM 882 N SER A 55 -2.294 -11.035 4.621 1.00 0.43 N ATOM 883 CA SER A 55 -1.178 -11.611 3.895 1.00 0.44 C ATOM 884 C SER A 55 -0.612 -12.781 4.667 1.00 0.47 C ATOM 885 O SER A 55 -0.238 -13.789 4.072 1.00 0.54 O ATOM 886 CB SER A 55 -0.098 -10.545 3.648 1.00 0.42 C ATOM 887 OG SER A 55 0.200 -10.455 2.275 1.00 1.90 O ATOM 0 H SER A 55 -2.081 -10.147 5.075 1.00 0.43 H new ATOM 0 HA SER A 55 -1.528 -11.971 2.927 1.00 0.44 H new ATOM 0 HB2 SER A 55 -0.442 -9.578 4.016 1.00 0.42 H new ATOM 0 HB3 SER A 55 0.804 -10.796 4.206 1.00 0.42 H new ATOM 0 HG SER A 55 -0.633 -10.466 1.758 1.00 1.90 H new ATOM 893 N THR A 56 -0.492 -12.611 5.985 1.00 0.45 N ATOM 894 CA THR A 56 0.202 -13.523 6.880 1.00 0.49 C ATOM 895 C THR A 56 1.706 -13.640 6.556 1.00 0.54 C ATOM 896 O THR A 56 2.438 -14.287 7.299 1.00 0.78 O ATOM 897 CB THR A 56 -0.587 -14.845 6.904 1.00 0.56 C ATOM 898 OG1 THR A 56 -1.841 -14.610 7.511 1.00 0.56 O ATOM 899 CG2 THR A 56 0.070 -15.965 7.711 1.00 0.75 C ATOM 0 H THR A 56 -0.890 -11.806 6.469 1.00 0.45 H new ATOM 0 HA THR A 56 0.221 -13.136 7.899 1.00 0.49 H new ATOM 0 HB THR A 56 -0.647 -15.168 5.865 1.00 0.56 H new ATOM 0 HG1 THR A 56 -2.128 -13.692 7.325 1.00 0.56 H new ATOM 0 HG21 THR A 56 -0.556 -16.857 7.672 1.00 0.75 H new ATOM 0 HG22 THR A 56 1.050 -16.190 7.290 1.00 0.75 H new ATOM 0 HG23 THR A 56 0.185 -15.648 8.747 1.00 0.75 H new ATOM 907 N ASP A 57 2.212 -12.982 5.505 1.00 0.43 N ATOM 908 CA ASP A 57 3.580 -13.118 5.051 1.00 0.45 C ATOM 909 C ASP A 57 3.949 -11.864 4.252 1.00 0.39 C ATOM 910 O ASP A 57 3.155 -11.371 3.451 1.00 0.36 O ATOM 911 CB ASP A 57 3.676 -14.369 4.172 1.00 0.55 C ATOM 912 CG ASP A 57 5.115 -14.709 3.803 1.00 0.64 C ATOM 913 OD1 ASP A 57 6.004 -13.883 4.114 1.00 1.40 O ATOM 914 OD2 ASP A 57 5.297 -15.766 3.169 1.00 1.84 O ATOM 0 H ASP A 57 1.663 -12.331 4.944 1.00 0.43 H new ATOM 0 HA ASP A 57 4.268 -13.221 5.890 1.00 0.45 H new ATOM 0 HB2 ASP A 57 3.229 -15.214 4.696 1.00 0.55 H new ATOM 0 HB3 ASP A 57 3.097 -14.216 3.262 1.00 0.55 H new ATOM 919 N LEU A 58 5.167 -11.360 4.448 1.00 0.42 N ATOM 920 CA LEU A 58 5.744 -10.271 3.667 1.00 0.42 C ATOM 921 C LEU A 58 5.873 -10.639 2.194 1.00 0.40 C ATOM 922 O LEU A 58 5.962 -9.759 1.347 1.00 0.41 O ATOM 923 CB LEU A 58 7.111 -9.863 4.241 1.00 0.53 C ATOM 924 CG LEU A 58 6.985 -8.787 5.333 1.00 0.61 C ATOM 925 CD1 LEU A 58 7.860 -9.130 6.540 1.00 1.09 C ATOM 926 CD2 LEU A 58 7.417 -7.424 4.783 1.00 1.24 C ATOM 0 H LEU A 58 5.794 -11.708 5.173 1.00 0.42 H new ATOM 0 HA LEU A 58 5.064 -9.422 3.735 1.00 0.42 H new ATOM 0 HB2 LEU A 58 7.606 -10.742 4.654 1.00 0.53 H new ATOM 0 HB3 LEU A 58 7.744 -9.489 3.436 1.00 0.53 H new ATOM 0 HG LEU A 58 5.941 -8.749 5.645 1.00 0.61 H new ATOM 0 HD11 LEU A 58 7.754 -8.354 7.298 1.00 1.09 H new ATOM 0 HD12 LEU A 58 7.548 -10.088 6.955 1.00 1.09 H new ATOM 0 HD13 LEU A 58 8.903 -9.192 6.228 1.00 1.09 H new ATOM 0 HD21 LEU A 58 7.324 -6.670 5.565 1.00 1.24 H new ATOM 0 HD22 LEU A 58 8.454 -7.477 4.452 1.00 1.24 H new ATOM 0 HD23 LEU A 58 6.781 -7.154 3.940 1.00 1.24 H new ATOM 938 N GLN A 59 5.882 -11.919 1.858 1.00 0.41 N ATOM 939 CA GLN A 59 5.948 -12.391 0.493 1.00 0.42 C ATOM 940 C GLN A 59 4.662 -12.022 -0.235 1.00 0.37 C ATOM 941 O GLN A 59 4.709 -11.398 -1.288 1.00 0.37 O ATOM 942 CB GLN A 59 6.195 -13.897 0.494 1.00 0.47 C ATOM 943 CG GLN A 59 6.461 -14.380 -0.938 1.00 0.49 C ATOM 944 CD GLN A 59 6.917 -15.834 -1.012 1.00 1.60 C ATOM 945 OE1 GLN A 59 7.637 -16.328 -0.155 1.00 2.17 O ATOM 946 NE2 GLN A 59 6.543 -16.543 -2.070 1.00 3.04 N ATOM 0 H GLN A 59 5.843 -12.672 2.545 1.00 0.41 H new ATOM 0 HA GLN A 59 6.774 -11.917 -0.037 1.00 0.42 H new ATOM 0 HB2 GLN A 59 7.046 -14.135 1.132 1.00 0.47 H new ATOM 0 HB3 GLN A 59 5.331 -14.416 0.908 1.00 0.47 H new ATOM 0 HG2 GLN A 59 5.552 -14.261 -1.528 1.00 0.49 H new ATOM 0 HG3 GLN A 59 7.221 -13.745 -1.392 1.00 0.49 H new ATOM 0 HE21 GLN A 59 5.943 -16.123 -2.779 1.00 3.04 H new ATOM 0 HE22 GLN A 59 6.856 -17.508 -2.174 1.00 3.04 H new ATOM 955 N LEU A 60 3.497 -12.373 0.314 1.00 0.37 N ATOM 956 CA LEU A 60 2.236 -12.013 -0.310 1.00 0.33 C ATOM 957 C LEU A 60 2.049 -10.501 -0.284 1.00 0.28 C ATOM 958 O LEU A 60 1.401 -9.959 -1.174 1.00 0.27 O ATOM 959 CB LEU A 60 1.085 -12.738 0.403 1.00 0.38 C ATOM 960 CG LEU A 60 0.639 -14.048 -0.260 1.00 0.58 C ATOM 961 CD1 LEU A 60 -0.063 -13.787 -1.597 1.00 1.84 C ATOM 962 CD2 LEU A 60 1.802 -15.022 -0.451 1.00 1.90 C ATOM 0 H LEU A 60 3.407 -12.901 1.182 1.00 0.37 H new ATOM 0 HA LEU A 60 2.240 -12.325 -1.354 1.00 0.33 H new ATOM 0 HB2 LEU A 60 1.388 -12.951 1.428 1.00 0.38 H new ATOM 0 HB3 LEU A 60 0.229 -12.065 0.457 1.00 0.38 H new ATOM 0 HG LEU A 60 -0.075 -14.513 0.420 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -0.366 -14.736 -2.040 1.00 1.84 H new ATOM 0 HD12 LEU A 60 -0.944 -13.167 -1.431 1.00 1.84 H new ATOM 0 HD13 LEU A 60 0.621 -13.273 -2.273 1.00 1.84 H new ATOM 0 HD21 LEU A 60 1.438 -15.935 -0.923 1.00 1.90 H new ATOM 0 HD22 LEU A 60 2.561 -14.563 -1.085 1.00 1.90 H new ATOM 0 HD23 LEU A 60 2.237 -15.264 0.519 1.00 1.90 H new ATOM 974 N ILE A 61 2.614 -9.806 0.705 1.00 0.30 N ATOM 975 CA ILE A 61 2.509 -8.355 0.785 1.00 0.32 C ATOM 976 C ILE A 61 3.338 -7.713 -0.328 1.00 0.30 C ATOM 977 O ILE A 61 2.896 -6.760 -0.971 1.00 0.32 O ATOM 978 CB ILE A 61 2.868 -7.873 2.212 1.00 0.42 C ATOM 979 CG1 ILE A 61 1.688 -7.097 2.810 1.00 0.53 C ATOM 980 CG2 ILE A 61 4.147 -7.031 2.337 1.00 0.52 C ATOM 981 CD1 ILE A 61 1.421 -5.768 2.104 1.00 0.81 C ATOM 0 H ILE A 61 3.150 -10.230 1.462 1.00 0.30 H new ATOM 0 HA ILE A 61 1.481 -8.033 0.616 1.00 0.32 H new ATOM 0 HB ILE A 61 3.076 -8.788 2.767 1.00 0.42 H new ATOM 0 HG12 ILE A 61 0.792 -7.715 2.758 1.00 0.53 H new ATOM 0 HG13 ILE A 61 1.884 -6.907 3.865 1.00 0.53 H new ATOM 0 HG21 ILE A 61 4.298 -6.750 3.379 1.00 0.52 H new ATOM 0 HG22 ILE A 61 5.001 -7.613 1.991 1.00 0.52 H new ATOM 0 HG23 ILE A 61 4.051 -6.131 1.729 1.00 0.52 H new ATOM 0 HD11 ILE A 61 0.574 -5.269 2.575 1.00 0.81 H new ATOM 0 HD12 ILE A 61 2.304 -5.133 2.178 1.00 0.81 H new ATOM 0 HD13 ILE A 61 1.194 -5.953 1.054 1.00 0.81 H new ATOM 993 N THR A 62 4.542 -8.229 -0.579 1.00 0.31 N ATOM 994 CA THR A 62 5.395 -7.635 -1.603 1.00 0.31 C ATOM 995 C THR A 62 4.802 -7.944 -2.969 1.00 0.29 C ATOM 996 O THR A 62 4.755 -7.074 -3.836 1.00 0.32 O ATOM 997 CB THR A 62 6.855 -8.098 -1.499 1.00 0.40 C ATOM 998 OG1 THR A 62 6.951 -9.496 -1.352 1.00 2.41 O ATOM 999 CG2 THR A 62 7.571 -7.424 -0.326 1.00 2.27 C ATOM 0 H THR A 62 4.939 -9.037 -0.100 1.00 0.31 H new ATOM 0 HA THR A 62 5.423 -6.556 -1.451 1.00 0.31 H new ATOM 0 HB THR A 62 7.337 -7.807 -2.432 1.00 0.40 H new ATOM 0 HG1 THR A 62 6.751 -9.742 -0.425 1.00 2.41 H new ATOM 0 HG21 THR A 62 8.602 -7.773 -0.280 1.00 2.27 H new ATOM 0 HG22 THR A 62 7.560 -6.343 -0.466 1.00 2.27 H new ATOM 0 HG23 THR A 62 7.061 -7.675 0.604 1.00 2.27 H new ATOM 1007 N GLU A 63 4.307 -9.166 -3.167 1.00 0.29 N ATOM 1008 CA GLU A 63 3.717 -9.532 -4.443 1.00 0.31 C ATOM 1009 C GLU A 63 2.435 -8.750 -4.682 1.00 0.29 C ATOM 1010 O GLU A 63 2.164 -8.367 -5.817 1.00 0.33 O ATOM 1011 CB GLU A 63 3.493 -11.047 -4.553 1.00 0.42 C ATOM 1012 CG GLU A 63 2.947 -11.332 -5.958 1.00 0.50 C ATOM 1013 CD GLU A 63 2.950 -12.802 -6.371 1.00 0.98 C ATOM 1014 OE1 GLU A 63 2.772 -13.664 -5.486 1.00 1.69 O ATOM 1015 OE2 GLU A 63 3.047 -13.025 -7.604 1.00 2.10 O ATOM 0 H GLU A 63 4.305 -9.907 -2.466 1.00 0.29 H new ATOM 0 HA GLU A 63 4.423 -9.265 -5.230 1.00 0.31 H new ATOM 0 HB2 GLU A 63 4.426 -11.585 -4.388 1.00 0.42 H new ATOM 0 HB3 GLU A 63 2.790 -11.387 -3.792 1.00 0.42 H new ATOM 0 HG2 GLU A 63 1.925 -10.957 -6.016 1.00 0.50 H new ATOM 0 HG3 GLU A 63 3.536 -10.767 -6.681 1.00 0.50 H new ATOM 1022 N ALA A 64 1.662 -8.474 -3.631 1.00 0.27 N ATOM 1023 CA ALA A 64 0.455 -7.674 -3.775 1.00 0.29 C ATOM 1024 C ALA A 64 0.795 -6.337 -4.430 1.00 0.28 C ATOM 1025 O ALA A 64 0.176 -5.932 -5.411 1.00 0.32 O ATOM 1026 CB ALA A 64 -0.189 -7.442 -2.414 1.00 0.33 C ATOM 0 H ALA A 64 1.851 -8.791 -2.680 1.00 0.27 H new ATOM 0 HA ALA A 64 -0.252 -8.211 -4.408 1.00 0.29 H new ATOM 0 HB1 ALA A 64 -1.091 -6.842 -2.536 1.00 0.33 H new ATOM 0 HB2 ALA A 64 -0.449 -8.401 -1.966 1.00 0.33 H new ATOM 0 HB3 ALA A 64 0.511 -6.916 -1.765 1.00 0.33 H new ATOM 1032 N LEU A 65 1.811 -5.650 -3.905 1.00 0.25 N ATOM 1033 CA LEU A 65 2.262 -4.394 -4.479 1.00 0.24 C ATOM 1034 C LEU A 65 2.788 -4.620 -5.895 1.00 0.27 C ATOM 1035 O LEU A 65 2.539 -3.814 -6.783 1.00 0.31 O ATOM 1036 CB LEU A 65 3.330 -3.779 -3.575 1.00 0.25 C ATOM 1037 CG LEU A 65 2.711 -3.234 -2.281 1.00 0.28 C ATOM 1038 CD1 LEU A 65 3.820 -2.878 -1.301 1.00 0.38 C ATOM 1039 CD2 LEU A 65 1.852 -1.989 -2.539 1.00 0.33 C ATOM 0 H LEU A 65 2.334 -5.948 -3.082 1.00 0.25 H new ATOM 0 HA LEU A 65 1.426 -3.698 -4.547 1.00 0.24 H new ATOM 0 HB2 LEU A 65 4.083 -4.529 -3.334 1.00 0.25 H new ATOM 0 HB3 LEU A 65 3.840 -2.975 -4.105 1.00 0.25 H new ATOM 0 HG LEU A 65 2.067 -4.010 -1.867 1.00 0.28 H new ATOM 0 HD11 LEU A 65 3.382 -2.491 -0.381 1.00 0.38 H new ATOM 0 HD12 LEU A 65 4.407 -3.769 -1.077 1.00 0.38 H new ATOM 0 HD13 LEU A 65 4.466 -2.119 -1.743 1.00 0.38 H new ATOM 0 HD21 LEU A 65 1.432 -1.635 -1.597 1.00 0.33 H new ATOM 0 HD22 LEU A 65 2.469 -1.206 -2.978 1.00 0.33 H new ATOM 0 HD23 LEU A 65 1.043 -2.241 -3.225 1.00 0.33 H new ATOM 1051 N LYS A 66 3.498 -5.724 -6.129 1.00 0.29 N ATOM 1052 CA LYS A 66 4.012 -6.060 -7.452 1.00 0.37 C ATOM 1053 C LYS A 66 2.894 -6.304 -8.465 1.00 0.42 C ATOM 1054 O LYS A 66 3.129 -6.184 -9.665 1.00 0.59 O ATOM 1055 CB LYS A 66 4.977 -7.246 -7.357 1.00 0.40 C ATOM 1056 CG LYS A 66 5.927 -7.237 -8.561 1.00 0.68 C ATOM 1057 CD LYS A 66 6.762 -8.520 -8.641 1.00 1.15 C ATOM 1058 CE LYS A 66 6.801 -9.026 -10.086 1.00 1.92 C ATOM 1059 NZ LYS A 66 5.478 -9.529 -10.522 1.00 3.45 N ATOM 0 H LYS A 66 3.731 -6.407 -5.408 1.00 0.29 H new ATOM 0 HA LYS A 66 4.567 -5.200 -7.826 1.00 0.37 H new ATOM 0 HB2 LYS A 66 5.548 -7.189 -6.430 1.00 0.40 H new ATOM 0 HB3 LYS A 66 4.418 -8.181 -7.330 1.00 0.40 H new ATOM 0 HG2 LYS A 66 5.349 -7.122 -9.478 1.00 0.68 H new ATOM 0 HG3 LYS A 66 6.591 -6.375 -8.493 1.00 0.68 H new ATOM 0 HD2 LYS A 66 7.775 -8.328 -8.286 1.00 1.15 H new ATOM 0 HD3 LYS A 66 6.335 -9.283 -7.990 1.00 1.15 H new ATOM 0 HE2 LYS A 66 7.120 -8.220 -10.746 1.00 1.92 H new ATOM 0 HE3 LYS A 66 7.541 -9.822 -10.174 1.00 1.92 H new ATOM 0 HZ1 LYS A 66 5.603 -10.197 -11.310 1.00 3.45 H new ATOM 0 HZ2 LYS A 66 5.012 -10.013 -9.728 1.00 3.45 H new ATOM 0 HZ3 LYS A 66 4.889 -8.731 -10.835 1.00 3.45 H new ATOM 1073 N LYS A 67 1.688 -6.656 -8.023 1.00 0.38 N ATOM 1074 CA LYS A 67 0.537 -6.784 -8.909 1.00 0.41 C ATOM 1075 C LYS A 67 -0.427 -5.609 -8.709 1.00 0.40 C ATOM 1076 O LYS A 67 -1.619 -5.788 -8.931 1.00 0.57 O ATOM 1077 CB LYS A 67 -0.172 -8.127 -8.646 1.00 0.57 C ATOM 1078 CG LYS A 67 0.667 -9.371 -8.960 1.00 0.97 C ATOM 1079 CD LYS A 67 -0.223 -10.614 -8.784 1.00 1.02 C ATOM 1080 CE LYS A 67 0.590 -11.878 -8.499 1.00 2.22 C ATOM 1081 NZ LYS A 67 1.366 -12.378 -9.648 1.00 2.19 N ATOM 0 H LYS A 67 1.484 -6.859 -7.045 1.00 0.38 H new ATOM 0 HA LYS A 67 0.878 -6.765 -9.944 1.00 0.41 H new ATOM 0 HB2 LYS A 67 -0.472 -8.164 -7.599 1.00 0.57 H new ATOM 0 HB3 LYS A 67 -1.085 -8.162 -9.241 1.00 0.57 H new ATOM 0 HG2 LYS A 67 1.052 -9.321 -9.978 1.00 0.97 H new ATOM 0 HG3 LYS A 67 1.529 -9.425 -8.295 1.00 0.97 H new ATOM 0 HD2 LYS A 67 -0.923 -10.443 -7.966 1.00 1.02 H new ATOM 0 HD3 LYS A 67 -0.817 -10.763 -9.686 1.00 1.02 H new ATOM 0 HE2 LYS A 67 1.274 -11.676 -7.675 1.00 2.22 H new ATOM 0 HE3 LYS A 67 -0.088 -12.663 -8.165 1.00 2.22 H new ATOM 0 HZ1 LYS A 67 2.255 -12.799 -9.310 1.00 2.19 H new ATOM 0 HZ2 LYS A 67 0.812 -13.098 -10.154 1.00 2.19 H new ATOM 0 HZ3 LYS A 67 1.580 -11.590 -10.292 1.00 2.19 H new ATOM 1095 N SER A 68 0.032 -4.428 -8.280 1.00 0.37 N ATOM 1096 CA SER A 68 -0.873 -3.361 -7.882 1.00 0.42 C ATOM 1097 C SER A 68 -1.834 -2.980 -9.002 1.00 0.47 C ATOM 1098 O SER A 68 -1.419 -2.792 -10.142 1.00 0.86 O ATOM 1099 CB SER A 68 -0.091 -2.113 -7.482 1.00 0.49 C ATOM 1100 OG SER A 68 0.903 -1.817 -8.441 1.00 1.90 O ATOM 0 H SER A 68 1.022 -4.194 -8.202 1.00 0.37 H new ATOM 0 HA SER A 68 -1.445 -3.740 -7.035 1.00 0.42 H new ATOM 0 HB2 SER A 68 -0.772 -1.267 -7.384 1.00 0.49 H new ATOM 0 HB3 SER A 68 0.371 -2.265 -6.507 1.00 0.49 H new ATOM 0 HG SER A 68 0.614 -1.057 -8.988 1.00 1.90 H new ATOM 1106 N THR A 69 -3.101 -2.786 -8.639 1.00 0.41 N ATOM 1107 CA THR A 69 -4.107 -2.270 -9.545 1.00 0.46 C ATOM 1108 C THR A 69 -4.030 -0.743 -9.588 1.00 0.66 C ATOM 1109 O THR A 69 -3.605 -0.140 -10.570 1.00 0.98 O ATOM 1110 CB THR A 69 -5.503 -2.805 -9.162 1.00 0.56 C ATOM 1111 OG1 THR A 69 -6.402 -2.114 -9.988 1.00 0.96 O ATOM 1112 CG2 THR A 69 -5.946 -2.663 -7.684 1.00 0.57 C ATOM 0 H THR A 69 -3.453 -2.985 -7.703 1.00 0.41 H new ATOM 0 HA THR A 69 -3.915 -2.624 -10.558 1.00 0.46 H new ATOM 0 HB THR A 69 -5.477 -3.886 -9.298 1.00 0.56 H new ATOM 0 HG1 THR A 69 -7.316 -2.410 -9.796 1.00 0.96 H new ATOM 0 HG21 THR A 69 -6.945 -3.081 -7.562 1.00 0.57 H new ATOM 0 HG22 THR A 69 -5.247 -3.199 -7.042 1.00 0.57 H new ATOM 0 HG23 THR A 69 -5.957 -1.609 -7.407 1.00 0.57 H new ATOM 1120 N ARG A 70 -4.436 -0.097 -8.496 1.00 0.62 N ATOM 1121 CA ARG A 70 -4.693 1.336 -8.462 1.00 0.72 C ATOM 1122 C ARG A 70 -3.495 2.108 -7.936 1.00 0.73 C ATOM 1123 O ARG A 70 -3.609 3.306 -7.662 1.00 1.02 O ATOM 1124 CB ARG A 70 -5.928 1.568 -7.584 1.00 0.87 C ATOM 1125 CG ARG A 70 -7.057 2.263 -8.335 1.00 1.27 C ATOM 1126 CD ARG A 70 -6.746 3.725 -8.635 1.00 2.80 C ATOM 1127 NE ARG A 70 -7.747 4.291 -9.550 1.00 3.57 N ATOM 1128 CZ ARG A 70 -8.114 5.576 -9.576 1.00 4.96 C ATOM 1129 NH1 ARG A 70 -7.453 6.461 -8.839 1.00 5.95 N ATOM 1130 NH2 ARG A 70 -9.141 5.981 -10.319 1.00 5.82 N ATOM 0 H ARG A 70 -4.596 -0.562 -7.602 1.00 0.62 H new ATOM 0 HA ARG A 70 -4.873 1.702 -9.473 1.00 0.72 H new ATOM 0 HB2 ARG A 70 -6.284 0.611 -7.204 1.00 0.87 H new ATOM 0 HB3 ARG A 70 -5.647 2.169 -6.719 1.00 0.87 H new ATOM 0 HG2 ARG A 70 -7.245 1.736 -9.270 1.00 1.27 H new ATOM 0 HG3 ARG A 70 -7.972 2.203 -7.745 1.00 1.27 H new ATOM 0 HD2 ARG A 70 -6.730 4.297 -7.707 1.00 2.80 H new ATOM 0 HD3 ARG A 70 -5.753 3.808 -9.078 1.00 2.80 H new ATOM 0 HE ARG A 70 -8.194 3.658 -10.213 1.00 3.57 H new ATOM 0 HH11 ARG A 70 -6.671 6.158 -8.258 1.00 5.95 H new ATOM 0 HH12 ARG A 70 -7.727 7.443 -8.854 1.00 5.95 H new ATOM 0 HH21 ARG A 70 -9.662 5.307 -10.880 1.00 5.82 H new ATOM 0 HH22 ARG A 70 -9.408 6.965 -10.327 1.00 5.82 H new ATOM 1144 N LEU A 71 -2.368 1.424 -7.736 1.00 0.58 N ATOM 1145 CA LEU A 71 -1.106 2.040 -7.431 1.00 0.49 C ATOM 1146 C LEU A 71 -0.103 1.417 -8.399 1.00 0.41 C ATOM 1147 O LEU A 71 -0.428 0.457 -9.099 1.00 0.47 O ATOM 1148 CB LEU A 71 -0.731 1.789 -5.958 1.00 0.54 C ATOM 1149 CG LEU A 71 -1.597 2.565 -4.948 1.00 1.36 C ATOM 1150 CD1 LEU A 71 -2.895 1.844 -4.566 1.00 1.54 C ATOM 1151 CD2 LEU A 71 -0.811 2.809 -3.658 1.00 2.91 C ATOM 0 H LEU A 71 -2.321 0.406 -7.786 1.00 0.58 H new ATOM 0 HA LEU A 71 -1.130 3.123 -7.550 1.00 0.49 H new ATOM 0 HB2 LEU A 71 -0.816 0.723 -5.749 1.00 0.54 H new ATOM 0 HB3 LEU A 71 0.314 2.061 -5.809 1.00 0.54 H new ATOM 0 HG LEU A 71 -1.859 3.498 -5.448 1.00 1.36 H new ATOM 0 HD11 LEU A 71 -3.452 2.451 -3.852 1.00 1.54 H new ATOM 0 HD12 LEU A 71 -3.500 1.687 -5.459 1.00 1.54 H new ATOM 0 HD13 LEU A 71 -2.657 0.880 -4.115 1.00 1.54 H new ATOM 0 HD21 LEU A 71 -1.433 3.358 -2.951 1.00 2.91 H new ATOM 0 HD22 LEU A 71 -0.523 1.853 -3.221 1.00 2.91 H new ATOM 0 HD23 LEU A 71 0.084 3.390 -3.882 1.00 2.91 H new ATOM 1163 N GLN A 72 1.125 1.919 -8.420 1.00 0.36 N ATOM 1164 CA GLN A 72 2.225 1.272 -9.105 1.00 0.33 C ATOM 1165 C GLN A 72 3.392 1.213 -8.143 1.00 0.28 C ATOM 1166 O GLN A 72 3.694 2.198 -7.480 1.00 0.35 O ATOM 1167 CB GLN A 72 2.628 2.044 -10.360 1.00 0.46 C ATOM 1168 CG GLN A 72 1.758 1.682 -11.563 1.00 1.11 C ATOM 1169 CD GLN A 72 2.379 2.270 -12.825 1.00 2.01 C ATOM 1170 OE1 GLN A 72 2.681 3.460 -12.876 1.00 3.04 O ATOM 1171 NE2 GLN A 72 2.628 1.449 -13.839 1.00 2.70 N ATOM 0 H GLN A 72 1.382 2.791 -7.958 1.00 0.36 H new ATOM 0 HA GLN A 72 1.924 0.273 -9.419 1.00 0.33 H new ATOM 0 HB2 GLN A 72 2.551 3.114 -10.167 1.00 0.46 H new ATOM 0 HB3 GLN A 72 3.672 1.836 -10.593 1.00 0.46 H new ATOM 0 HG2 GLN A 72 1.675 0.599 -11.654 1.00 1.11 H new ATOM 0 HG3 GLN A 72 0.748 2.068 -11.426 1.00 1.11 H new ATOM 0 HE21 GLN A 72 2.368 0.465 -13.774 1.00 2.70 H new ATOM 0 HE22 GLN A 72 3.079 1.803 -14.683 1.00 2.70 H new ATOM 1180 N VAL A 73 4.061 0.073 -8.093 1.00 0.32 N ATOM 1181 CA VAL A 73 5.255 -0.125 -7.300 1.00 0.35 C ATOM 1182 C VAL A 73 6.453 0.248 -8.165 1.00 0.35 C ATOM 1183 O VAL A 73 6.478 -0.018 -9.365 1.00 0.49 O ATOM 1184 CB VAL A 73 5.281 -1.580 -6.793 1.00 0.59 C ATOM 1185 CG1 VAL A 73 5.410 -2.620 -7.911 1.00 1.04 C ATOM 1186 CG2 VAL A 73 6.391 -1.843 -5.774 1.00 1.21 C ATOM 0 H VAL A 73 3.780 -0.757 -8.616 1.00 0.32 H new ATOM 0 HA VAL A 73 5.280 0.509 -6.414 1.00 0.35 H new ATOM 0 HB VAL A 73 4.309 -1.695 -6.312 1.00 0.59 H new ATOM 0 HG11 VAL A 73 5.422 -3.620 -7.478 1.00 1.04 H new ATOM 0 HG12 VAL A 73 4.564 -2.529 -8.592 1.00 1.04 H new ATOM 0 HG13 VAL A 73 6.337 -2.451 -8.460 1.00 1.04 H new ATOM 0 HG21 VAL A 73 6.354 -2.885 -5.457 1.00 1.21 H new ATOM 0 HG22 VAL A 73 7.359 -1.636 -6.229 1.00 1.21 H new ATOM 0 HG23 VAL A 73 6.251 -1.195 -4.908 1.00 1.21 H new ATOM 1196 N SER A 74 7.433 0.910 -7.557 1.00 0.32 N ATOM 1197 CA SER A 74 8.731 1.097 -8.174 1.00 0.45 C ATOM 1198 C SER A 74 9.449 -0.243 -8.247 1.00 0.72 C ATOM 1199 O SER A 74 9.138 -1.177 -7.516 1.00 0.93 O ATOM 1200 CB SER A 74 9.536 2.128 -7.379 1.00 0.87 C ATOM 1201 OG SER A 74 10.824 2.322 -7.929 1.00 1.37 O ATOM 0 H SER A 74 7.346 1.327 -6.630 1.00 0.32 H new ATOM 0 HA SER A 74 8.616 1.477 -9.189 1.00 0.45 H new ATOM 0 HB2 SER A 74 8.999 3.077 -7.365 1.00 0.87 H new ATOM 0 HB3 SER A 74 9.628 1.799 -6.344 1.00 0.87 H new ATOM 0 HG SER A 74 10.989 3.281 -8.046 1.00 1.37 H new ATOM 1207 N GLU A 75 10.468 -0.314 -9.089 1.00 0.98 N ATOM 1208 CA GLU A 75 11.341 -1.459 -9.229 1.00 1.51 C ATOM 1209 C GLU A 75 12.082 -1.732 -7.918 1.00 1.19 C ATOM 1210 O GLU A 75 12.554 -2.846 -7.708 1.00 1.45 O ATOM 1211 CB GLU A 75 12.321 -1.223 -10.389 1.00 2.16 C ATOM 1212 CG GLU A 75 11.610 -1.050 -11.746 1.00 2.84 C ATOM 1213 CD GLU A 75 11.397 0.412 -12.178 1.00 3.26 C ATOM 1214 OE1 GLU A 75 11.059 1.257 -11.315 1.00 3.77 O ATOM 1215 OE2 GLU A 75 11.562 0.669 -13.391 1.00 3.91 O ATOM 0 H GLU A 75 10.715 0.454 -9.714 1.00 0.98 H new ATOM 0 HA GLU A 75 10.744 -2.342 -9.458 1.00 1.51 H new ATOM 0 HB2 GLU A 75 12.917 -0.334 -10.180 1.00 2.16 H new ATOM 0 HB3 GLU A 75 13.013 -2.063 -10.451 1.00 2.16 H new ATOM 0 HG2 GLU A 75 12.192 -1.560 -12.513 1.00 2.84 H new ATOM 0 HG3 GLU A 75 10.640 -1.546 -11.699 1.00 2.84 H new ATOM 1222 N ASP A 76 12.177 -0.744 -7.018 1.00 0.83 N ATOM 1223 CA ASP A 76 12.832 -0.938 -5.732 1.00 0.73 C ATOM 1224 C ASP A 76 11.924 -1.726 -4.782 1.00 0.67 C ATOM 1225 O ASP A 76 12.390 -2.307 -3.808 1.00 0.76 O ATOM 1226 CB ASP A 76 13.188 0.433 -5.141 1.00 0.92 C ATOM 1227 CG ASP A 76 14.194 0.351 -3.989 1.00 1.37 C ATOM 1228 OD1 ASP A 76 15.019 -0.587 -3.980 1.00 2.16 O ATOM 1229 OD2 ASP A 76 14.151 1.264 -3.136 1.00 2.46 O ATOM 0 H ASP A 76 11.806 0.195 -7.164 1.00 0.83 H new ATOM 0 HA ASP A 76 13.746 -1.516 -5.870 1.00 0.73 H new ATOM 0 HB2 ASP A 76 13.598 1.065 -5.928 1.00 0.92 H new ATOM 0 HB3 ASP A 76 12.278 0.916 -4.786 1.00 0.92 H new ATOM 1234 N GLY A 77 10.603 -1.714 -5.017 1.00 0.56 N ATOM 1235 CA GLY A 77 9.649 -2.359 -4.115 1.00 0.53 C ATOM 1236 C GLY A 77 9.783 -1.831 -2.693 1.00 0.56 C ATOM 1237 O GLY A 77 9.552 -2.549 -1.728 1.00 0.93 O ATOM 0 H GLY A 77 10.175 -1.263 -5.826 1.00 0.56 H new ATOM 0 HA2 GLY A 77 8.634 -2.188 -4.474 1.00 0.53 H new ATOM 0 HA3 GLY A 77 9.812 -3.437 -4.121 1.00 0.53 H new ATOM 1241 N LYS A 78 10.104 -0.544 -2.582 1.00 0.37 N ATOM 1242 CA LYS A 78 10.174 0.219 -1.345 1.00 0.39 C ATOM 1243 C LYS A 78 9.371 1.498 -1.491 1.00 0.35 C ATOM 1244 O LYS A 78 9.341 2.302 -0.566 1.00 0.40 O ATOM 1245 CB LYS A 78 11.634 0.532 -1.044 1.00 0.50 C ATOM 1246 CG LYS A 78 12.361 -0.736 -0.594 1.00 0.91 C ATOM 1247 CD LYS A 78 13.868 -0.506 -0.628 1.00 1.69 C ATOM 1248 CE LYS A 78 14.493 -1.076 0.636 1.00 2.32 C ATOM 1249 NZ LYS A 78 15.963 -0.952 0.582 1.00 3.47 N ATOM 0 H LYS A 78 10.334 0.022 -3.399 1.00 0.37 H new ATOM 0 HA LYS A 78 9.754 -0.358 -0.521 1.00 0.39 H new ATOM 0 HB2 LYS A 78 12.117 0.942 -1.931 1.00 0.50 H new ATOM 0 HB3 LYS A 78 11.698 1.293 -0.266 1.00 0.50 H new ATOM 0 HG2 LYS A 78 12.048 -1.008 0.414 1.00 0.91 H new ATOM 0 HG3 LYS A 78 12.096 -1.569 -1.245 1.00 0.91 H new ATOM 0 HD2 LYS A 78 14.300 -0.983 -1.508 1.00 1.69 H new ATOM 0 HD3 LYS A 78 14.083 0.560 -0.705 1.00 1.69 H new ATOM 0 HE2 LYS A 78 14.109 -0.549 1.509 1.00 2.32 H new ATOM 0 HE3 LYS A 78 14.214 -2.124 0.747 1.00 2.32 H new ATOM 0 HZ1 LYS A 78 16.377 -1.345 1.451 1.00 3.47 H new ATOM 0 HZ2 LYS A 78 16.325 -1.475 -0.241 1.00 3.47 H new ATOM 0 HZ3 LYS A 78 16.224 0.051 0.497 1.00 3.47 H new ATOM 1263 N MET A 79 8.696 1.694 -2.624 1.00 0.29 N ATOM 1264 CA MET A 79 7.731 2.761 -2.732 1.00 0.25 C ATOM 1265 C MET A 79 6.707 2.399 -3.778 1.00 0.28 C ATOM 1266 O MET A 79 7.022 1.691 -4.734 1.00 0.36 O ATOM 1267 CB MET A 79 8.452 4.068 -3.098 1.00 0.34 C ATOM 1268 CG MET A 79 9.203 3.948 -4.430 1.00 1.80 C ATOM 1269 SD MET A 79 10.197 5.392 -4.879 1.00 2.79 S ATOM 1270 CE MET A 79 11.788 4.569 -5.161 1.00 3.79 C ATOM 0 H MET A 79 8.806 1.128 -3.466 1.00 0.29 H new ATOM 0 HA MET A 79 7.221 2.905 -1.779 1.00 0.25 H new ATOM 0 HB2 MET A 79 7.726 4.879 -3.161 1.00 0.34 H new ATOM 0 HB3 MET A 79 9.154 4.330 -2.307 1.00 0.34 H new ATOM 0 HG2 MET A 79 9.856 3.076 -4.385 1.00 1.80 H new ATOM 0 HG3 MET A 79 8.479 3.763 -5.223 1.00 1.80 H new ATOM 0 HE1 MET A 79 12.534 5.309 -5.450 1.00 3.79 H new ATOM 0 HE2 MET A 79 12.107 4.070 -4.246 1.00 3.79 H new ATOM 0 HE3 MET A 79 11.680 3.832 -5.957 1.00 3.79 H new ATOM 1280 N VAL A 80 5.493 2.908 -3.599 1.00 0.30 N ATOM 1281 CA VAL A 80 4.410 2.800 -4.540 1.00 0.29 C ATOM 1282 C VAL A 80 3.788 4.181 -4.676 1.00 0.34 C ATOM 1283 O VAL A 80 3.989 5.044 -3.820 1.00 0.49 O ATOM 1284 CB VAL A 80 3.388 1.770 -4.045 1.00 0.33 C ATOM 1285 CG1 VAL A 80 3.902 0.347 -4.222 1.00 2.28 C ATOM 1286 CG2 VAL A 80 3.024 1.970 -2.577 1.00 2.24 C ATOM 0 H VAL A 80 5.238 3.425 -2.758 1.00 0.30 H new ATOM 0 HA VAL A 80 4.764 2.459 -5.513 1.00 0.29 H new ATOM 0 HB VAL A 80 2.497 1.923 -4.654 1.00 0.33 H new ATOM 0 HG11 VAL A 80 3.153 -0.358 -3.861 1.00 2.28 H new ATOM 0 HG12 VAL A 80 4.098 0.160 -5.278 1.00 2.28 H new ATOM 0 HG13 VAL A 80 4.824 0.220 -3.654 1.00 2.28 H new ATOM 0 HG21 VAL A 80 2.297 1.215 -2.276 1.00 2.24 H new ATOM 0 HG22 VAL A 80 3.920 1.876 -1.964 1.00 2.24 H new ATOM 0 HG23 VAL A 80 2.594 2.962 -2.441 1.00 2.24 H new ATOM 1296 N ARG A 81 3.028 4.382 -5.748 1.00 0.28 N ATOM 1297 CA ARG A 81 2.442 5.677 -6.076 1.00 0.38 C ATOM 1298 C ARG A 81 0.995 5.501 -6.502 1.00 0.42 C ATOM 1299 O ARG A 81 0.643 4.448 -7.028 1.00 0.37 O ATOM 1300 CB ARG A 81 3.277 6.347 -7.176 1.00 0.54 C ATOM 1301 CG ARG A 81 3.161 5.632 -8.533 1.00 1.29 C ATOM 1302 CD ARG A 81 4.371 5.973 -9.404 1.00 1.88 C ATOM 1303 NE ARG A 81 4.231 5.479 -10.785 1.00 2.68 N ATOM 1304 CZ ARG A 81 5.112 5.721 -11.763 1.00 3.32 C ATOM 1305 NH1 ARG A 81 6.235 6.390 -11.499 1.00 3.75 N ATOM 1306 NH2 ARG A 81 4.872 5.302 -13.003 1.00 4.22 N ATOM 0 H ARG A 81 2.800 3.647 -6.417 1.00 0.28 H new ATOM 0 HA ARG A 81 2.450 6.322 -5.197 1.00 0.38 H new ATOM 0 HB2 ARG A 81 2.957 7.383 -7.288 1.00 0.54 H new ATOM 0 HB3 ARG A 81 4.323 6.368 -6.870 1.00 0.54 H new ATOM 0 HG2 ARG A 81 3.102 4.554 -8.382 1.00 1.29 H new ATOM 0 HG3 ARG A 81 2.243 5.934 -9.036 1.00 1.29 H new ATOM 0 HD2 ARG A 81 4.509 7.054 -9.421 1.00 1.88 H new ATOM 0 HD3 ARG A 81 5.268 5.544 -8.958 1.00 1.88 H new ATOM 0 HE ARG A 81 3.410 4.917 -11.010 1.00 2.68 H new ATOM 0 HH11 ARG A 81 6.423 6.717 -10.551 1.00 3.75 H new ATOM 0 HH12 ARG A 81 6.906 6.574 -12.245 1.00 3.75 H new ATOM 0 HH21 ARG A 81 4.013 4.793 -13.212 1.00 4.22 H new ATOM 0 HH22 ARG A 81 5.547 5.489 -13.744 1.00 4.22 H new ATOM 1320 N ARG A 82 0.157 6.511 -6.268 1.00 0.72 N ATOM 1321 CA ARG A 82 -1.236 6.487 -6.696 1.00 0.84 C ATOM 1322 C ARG A 82 -1.362 6.641 -8.211 1.00 0.80 C ATOM 1323 O ARG A 82 -0.374 6.812 -8.923 1.00 1.12 O ATOM 1324 CB ARG A 82 -2.004 7.626 -6.005 1.00 1.60 C ATOM 1325 CG ARG A 82 -1.855 7.635 -4.482 1.00 1.10 C ATOM 1326 CD ARG A 82 -2.492 6.420 -3.811 1.00 2.50 C ATOM 1327 NE ARG A 82 -3.956 6.533 -3.828 1.00 3.10 N ATOM 1328 CZ ARG A 82 -4.835 5.800 -4.523 1.00 4.55 C ATOM 1329 NH1 ARG A 82 -4.432 4.831 -5.346 1.00 5.62 N ATOM 1330 NH2 ARG A 82 -6.138 6.044 -4.396 1.00 5.45 N ATOM 0 H ARG A 82 0.426 7.364 -5.778 1.00 0.72 H new ATOM 0 HA ARG A 82 -1.657 5.521 -6.416 1.00 0.84 H new ATOM 0 HB2 ARG A 82 -1.655 8.580 -6.401 1.00 1.60 H new ATOM 0 HB3 ARG A 82 -3.061 7.544 -6.257 1.00 1.60 H new ATOM 0 HG2 ARG A 82 -0.796 7.670 -4.227 1.00 1.10 H new ATOM 0 HG3 ARG A 82 -2.309 8.542 -4.084 1.00 1.10 H new ATOM 0 HD2 ARG A 82 -2.185 5.510 -4.327 1.00 2.50 H new ATOM 0 HD3 ARG A 82 -2.139 6.338 -2.783 1.00 2.50 H new ATOM 0 HE ARG A 82 -4.354 7.262 -3.236 1.00 3.10 H new ATOM 0 HH11 ARG A 82 -3.437 4.636 -5.456 1.00 5.62 H new ATOM 0 HH12 ARG A 82 -5.119 4.285 -5.866 1.00 5.62 H new ATOM 0 HH21 ARG A 82 -6.460 6.785 -3.773 1.00 5.45 H new ATOM 0 HH22 ARG A 82 -6.814 5.490 -4.922 1.00 5.45 H new