USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 501 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 48 ASN : amide:sc= -0.0018 K(o=-0.0018,f=-1.1) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.951 K(o=-0.95,f=0) USER MOD Single : A 74 THR OG1 : rot 85:sc= 0.941 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0299) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 70:sc= 1.32 USER MOD Single : A 83 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= -2.1 K(o=-2.1,f=-0.54) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -39:sc= 1.07 USER MOD Single : A 96 SER OG : rot 27:sc= 0.963 USER MOD Single : A 99 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.466) USER MOD Single : A 104 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -4.017 -11.261 -3.851 1.00 0.00 N ATOM 118 CA ILE A 46 -3.333 -9.976 -3.972 1.00 0.00 C ATOM 119 C ILE A 46 -1.987 -9.985 -3.241 1.00 0.00 C ATOM 120 O ILE A 46 -1.098 -9.199 -3.569 1.00 0.00 O ATOM 121 CB ILE A 46 -4.193 -8.823 -3.419 1.00 0.00 C ATOM 122 CG1 ILE A 46 -5.622 -8.895 -3.970 1.00 0.00 C ATOM 123 CG2 ILE A 46 -3.558 -7.480 -3.752 1.00 0.00 C ATOM 124 CD1 ILE A 46 -6.691 -8.704 -2.914 1.00 0.00 C ATOM 0 HA ILE A 46 -3.162 -9.817 -5.037 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.243 -8.924 -2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.744 -8.133 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.768 -9.862 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.178 -6.676 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.565 -7.427 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.477 -7.374 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.676 -8.768 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.596 -9.481 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.572 -7.726 -2.448 1.00 0.00 H new ATOM 136 N ALA A 47 -1.838 -10.872 -2.251 1.00 0.00 N ATOM 137 CA ALA A 47 -0.593 -10.969 -1.485 1.00 0.00 C ATOM 138 C ALA A 47 0.622 -11.129 -2.404 1.00 0.00 C ATOM 139 O ALA A 47 1.720 -10.679 -2.073 1.00 0.00 O ATOM 140 CB ALA A 47 -0.663 -12.125 -0.497 1.00 0.00 C ATOM 0 H ALA A 47 -2.562 -11.530 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.473 -10.038 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.270 -12.182 0.063 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.491 -11.964 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.818 -13.058 -1.039 1.00 0.00 H new ATOM 146 N ASN A 48 0.415 -11.759 -3.562 1.00 0.00 N ATOM 147 CA ASN A 48 1.491 -11.963 -4.531 1.00 0.00 C ATOM 148 C ASN A 48 1.760 -10.681 -5.319 1.00 0.00 C ATOM 149 O ASN A 48 2.883 -10.443 -5.769 1.00 0.00 O ATOM 150 CB ASN A 48 1.139 -13.099 -5.498 1.00 0.00 C ATOM 151 CG ASN A 48 1.166 -14.470 -4.839 1.00 0.00 C ATOM 152 OD1 ASN A 48 1.581 -14.614 -3.689 1.00 0.00 O ATOM 153 ND2 ASN A 48 0.724 -15.490 -5.571 1.00 0.00 N ATOM 0 H ASN A 48 -0.488 -12.136 -3.851 1.00 0.00 H new ATOM 0 HA ASN A 48 2.391 -12.233 -3.979 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.147 -12.921 -5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.840 -13.089 -6.332 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.721 -16.433 -5.182 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.388 -15.329 -6.520 1.00 0.00 H new ATOM 160 N PHE A 49 0.725 -9.858 -5.476 1.00 0.00 N ATOM 161 CA PHE A 49 0.844 -8.599 -6.202 1.00 0.00 C ATOM 162 C PHE A 49 1.559 -7.536 -5.360 1.00 0.00 C ATOM 163 O PHE A 49 2.109 -6.577 -5.902 1.00 0.00 O ATOM 164 CB PHE A 49 -0.544 -8.106 -6.610 1.00 0.00 C ATOM 165 CG PHE A 49 -0.750 -8.045 -8.098 1.00 0.00 C ATOM 166 CD1 PHE A 49 -0.686 -9.196 -8.869 1.00 0.00 C ATOM 167 CD2 PHE A 49 -1.005 -6.837 -8.726 1.00 0.00 C ATOM 168 CE1 PHE A 49 -0.873 -9.142 -10.236 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.192 -6.777 -10.093 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.126 -7.930 -10.849 1.00 0.00 C ATOM 0 H PHE A 49 -0.208 -10.043 -5.108 1.00 0.00 H new ATOM 0 HA PHE A 49 1.443 -8.774 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.296 -8.764 -6.175 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.706 -7.114 -6.189 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.488 -10.146 -8.395 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.058 -5.932 -8.140 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.822 -10.046 -10.825 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.390 -5.829 -10.570 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.272 -7.885 -11.918 1.00 0.00 H new ATOM 180 N LEU A 50 1.555 -7.712 -4.036 1.00 0.00 N ATOM 181 CA LEU A 50 2.213 -6.767 -3.129 1.00 0.00 C ATOM 182 C LEU A 50 3.721 -7.028 -3.022 1.00 0.00 C ATOM 183 O LEU A 50 4.424 -6.303 -2.320 1.00 0.00 O ATOM 184 CB LEU A 50 1.584 -6.845 -1.735 1.00 0.00 C ATOM 185 CG LEU A 50 0.327 -5.994 -1.542 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.890 -6.879 -1.316 1.00 0.00 C ATOM 187 CD2 LEU A 50 0.508 -5.023 -0.383 1.00 0.00 C ATOM 0 H LEU A 50 1.104 -8.499 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 50 2.071 -5.770 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.336 -7.885 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.328 -6.538 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 50 0.164 -5.414 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.774 -6.255 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.033 -7.528 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.736 -7.488 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.397 -4.427 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.699 -5.582 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.351 -4.364 -0.589 1.00 0.00 H new ATOM 199 N GLU A 51 4.206 -8.071 -3.711 1.00 0.00 N ATOM 200 CA GLU A 51 5.621 -8.445 -3.695 1.00 0.00 C ATOM 201 C GLU A 51 6.016 -9.032 -2.339 1.00 0.00 C ATOM 202 O GLU A 51 5.817 -8.401 -1.300 1.00 0.00 O ATOM 203 CB GLU A 51 6.519 -7.249 -4.031 1.00 0.00 C ATOM 204 CG GLU A 51 6.559 -6.908 -5.514 1.00 0.00 C ATOM 205 CD GLU A 51 7.839 -7.368 -6.188 1.00 0.00 C ATOM 206 OE1 GLU A 51 8.928 -6.935 -5.755 1.00 0.00 O ATOM 207 OE2 GLU A 51 7.750 -8.158 -7.151 1.00 0.00 O ATOM 0 H GLU A 51 3.627 -8.676 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 51 5.764 -9.206 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.170 -6.378 -3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.532 -7.460 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.706 -7.369 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.456 -5.830 -5.637 1.00 0.00 H new ATOM 214 N PRO A 52 6.588 -10.254 -2.331 1.00 0.00 N ATOM 215 CA PRO A 52 7.016 -10.920 -1.093 1.00 0.00 C ATOM 216 C PRO A 52 7.949 -10.048 -0.254 1.00 0.00 C ATOM 217 O PRO A 52 7.893 -10.073 0.976 1.00 0.00 O ATOM 218 CB PRO A 52 7.755 -12.165 -1.592 1.00 0.00 C ATOM 219 CG PRO A 52 7.191 -12.426 -2.946 1.00 0.00 C ATOM 220 CD PRO A 52 6.865 -11.078 -3.525 1.00 0.00 C ATOM 0 HA PRO A 52 6.171 -11.142 -0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.831 -11.995 -1.638 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.595 -13.013 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 52 7.908 -12.957 -3.572 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.299 -13.050 -2.884 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.696 -10.678 -4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.003 -11.124 -4.191 1.00 0.00 H new ATOM 228 N GLN A 53 8.803 -9.276 -0.928 1.00 0.00 N ATOM 229 CA GLN A 53 9.745 -8.394 -0.245 1.00 0.00 C ATOM 230 C GLN A 53 9.016 -7.230 0.425 1.00 0.00 C ATOM 231 O GLN A 53 9.290 -6.900 1.580 1.00 0.00 O ATOM 232 CB GLN A 53 10.794 -7.870 -1.228 1.00 0.00 C ATOM 233 CG GLN A 53 11.599 -8.972 -1.900 1.00 0.00 C ATOM 234 CD GLN A 53 12.735 -8.434 -2.746 1.00 0.00 C ATOM 235 OE1 GLN A 53 12.532 -8.025 -3.889 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.942 -8.434 -2.189 1.00 0.00 N ATOM 0 H GLN A 53 8.860 -9.245 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 53 10.249 -8.971 0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.297 -7.275 -1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.476 -7.204 -0.699 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.003 -9.638 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.937 -9.570 -2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.065 -8.782 -1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.745 -8.086 -2.712 1.00 0.00 H new ATOM 245 N ALA A 54 8.077 -6.618 -0.301 1.00 0.00 N ATOM 246 CA ALA A 54 7.302 -5.501 0.235 1.00 0.00 C ATOM 247 C ALA A 54 6.444 -5.951 1.418 1.00 0.00 C ATOM 248 O ALA A 54 6.287 -5.214 2.392 1.00 0.00 O ATOM 249 CB ALA A 54 6.433 -4.885 -0.851 1.00 0.00 C ATOM 0 H ALA A 54 7.837 -6.877 -1.258 1.00 0.00 H new ATOM 0 HA ALA A 54 8.000 -4.743 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.863 -4.055 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.066 -4.520 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.747 -5.638 -1.238 1.00 0.00 H new ATOM 255 N LEU A 55 5.899 -7.168 1.329 1.00 0.00 N ATOM 256 CA LEU A 55 5.068 -7.719 2.399 1.00 0.00 C ATOM 257 C LEU A 55 5.868 -7.852 3.696 1.00 0.00 C ATOM 258 O LEU A 55 5.346 -7.600 4.783 1.00 0.00 O ATOM 259 CB LEU A 55 4.499 -9.084 1.992 1.00 0.00 C ATOM 260 CG LEU A 55 2.983 -9.117 1.771 1.00 0.00 C ATOM 261 CD1 LEU A 55 2.598 -10.292 0.884 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.248 -9.187 3.104 1.00 0.00 C ATOM 0 H LEU A 55 6.019 -7.788 0.528 1.00 0.00 H new ATOM 0 HA LEU A 55 4.241 -7.030 2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.991 -9.406 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.754 -9.811 2.763 1.00 0.00 H new ATOM 0 HG LEU A 55 2.689 -8.196 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.518 -10.299 0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.094 -10.197 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.906 -11.223 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.173 -9.210 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.547 -10.090 3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.498 -8.312 3.704 1.00 0.00 H new ATOM 274 N GLU A 56 7.140 -8.243 3.572 1.00 0.00 N ATOM 275 CA GLU A 56 8.013 -8.400 4.733 1.00 0.00 C ATOM 276 C GLU A 56 8.141 -7.084 5.502 1.00 0.00 C ATOM 277 O GLU A 56 8.002 -7.055 6.726 1.00 0.00 O ATOM 278 CB GLU A 56 9.398 -8.888 4.296 1.00 0.00 C ATOM 279 CG GLU A 56 10.160 -9.622 5.391 1.00 0.00 C ATOM 280 CD GLU A 56 10.517 -11.046 5.008 1.00 0.00 C ATOM 281 OE1 GLU A 56 9.590 -11.856 4.797 1.00 0.00 O ATOM 282 OE2 GLU A 56 11.725 -11.350 4.920 1.00 0.00 O ATOM 0 H GLU A 56 7.585 -8.456 2.679 1.00 0.00 H new ATOM 0 HA GLU A 56 7.566 -9.143 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.286 -9.549 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.988 -8.033 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.073 -9.073 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.558 -9.635 6.299 1.00 0.00 H new ATOM 289 N ARG A 57 8.399 -5.993 4.775 1.00 0.00 N ATOM 290 CA ARG A 57 8.538 -4.674 5.388 1.00 0.00 C ATOM 291 C ARG A 57 7.190 -4.159 5.893 1.00 0.00 C ATOM 292 O ARG A 57 7.121 -3.503 6.934 1.00 0.00 O ATOM 293 CB ARG A 57 9.131 -3.682 4.382 1.00 0.00 C ATOM 294 CG ARG A 57 9.492 -2.334 4.989 1.00 0.00 C ATOM 295 CD ARG A 57 8.269 -1.439 5.122 1.00 0.00 C ATOM 296 NE ARG A 57 8.449 -0.156 4.451 1.00 0.00 N ATOM 297 CZ ARG A 57 9.105 0.880 4.982 1.00 0.00 C ATOM 298 NH1 ARG A 57 9.700 0.765 6.167 1.00 0.00 N ATOM 299 NH2 ARG A 57 9.177 2.030 4.321 1.00 0.00 N ATOM 0 H ARG A 57 8.515 -6.000 3.762 1.00 0.00 H new ATOM 0 HA ARG A 57 9.212 -4.767 6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.024 -4.120 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.416 -3.527 3.574 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.943 -2.484 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.239 -1.841 4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.401 -1.948 4.702 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.059 -1.268 6.178 1.00 0.00 H new ATOM 0 HE ARG A 57 8.050 -0.043 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.657 -0.118 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.199 1.560 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.732 2.122 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.678 2.821 4.726 1.00 0.00 H new ATOM 313 N LEU A 58 6.122 -4.458 5.148 1.00 0.00 N ATOM 314 CA LEU A 58 4.776 -4.022 5.520 1.00 0.00 C ATOM 315 C LEU A 58 4.408 -4.505 6.924 1.00 0.00 C ATOM 316 O LEU A 58 3.729 -3.799 7.669 1.00 0.00 O ATOM 317 CB LEU A 58 3.749 -4.527 4.503 1.00 0.00 C ATOM 318 CG LEU A 58 2.466 -3.694 4.400 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.788 -2.236 4.094 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.543 -4.274 3.338 1.00 0.00 C ATOM 0 H LEU A 58 6.165 -5.000 4.285 1.00 0.00 H new ATOM 0 HA LEU A 58 4.766 -2.932 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.221 -4.561 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.478 -5.551 4.762 1.00 0.00 H new ATOM 0 HG LEU A 58 1.955 -3.731 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.862 -1.665 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.409 -1.826 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.324 -2.173 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.636 -3.672 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.049 -4.267 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.281 -5.298 3.603 1.00 0.00 H new ATOM 332 N SER A 59 4.872 -5.703 7.285 1.00 0.00 N ATOM 333 CA SER A 59 4.601 -6.262 8.608 1.00 0.00 C ATOM 334 C SER A 59 5.272 -5.421 9.694 1.00 0.00 C ATOM 335 O SER A 59 4.702 -5.205 10.765 1.00 0.00 O ATOM 336 CB SER A 59 5.093 -7.711 8.691 1.00 0.00 C ATOM 337 OG SER A 59 4.278 -8.571 7.913 1.00 0.00 O ATOM 0 H SER A 59 5.435 -6.302 6.681 1.00 0.00 H new ATOM 0 HA SER A 59 3.523 -6.247 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.124 -7.769 8.343 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.088 -8.041 9.730 1.00 0.00 H new ATOM 0 HG SER A 59 4.613 -9.489 7.981 1.00 0.00 H new ATOM 343 N ARG A 60 6.486 -4.942 9.405 1.00 0.00 N ATOM 344 CA ARG A 60 7.237 -4.117 10.349 1.00 0.00 C ATOM 345 C ARG A 60 6.533 -2.780 10.594 1.00 0.00 C ATOM 346 O ARG A 60 6.404 -2.343 11.738 1.00 0.00 O ATOM 347 CB ARG A 60 8.661 -3.875 9.833 1.00 0.00 C ATOM 348 CG ARG A 60 9.623 -3.376 10.901 1.00 0.00 C ATOM 349 CD ARG A 60 10.491 -4.501 11.446 1.00 0.00 C ATOM 350 NE ARG A 60 10.157 -4.833 12.831 1.00 0.00 N ATOM 351 CZ ARG A 60 10.545 -4.115 13.889 1.00 0.00 C ATOM 352 NH1 ARG A 60 11.272 -3.010 13.728 1.00 0.00 N ATOM 353 NH2 ARG A 60 10.200 -4.499 15.114 1.00 0.00 N ATOM 0 H ARG A 60 6.968 -5.113 8.523 1.00 0.00 H new ATOM 0 HA ARG A 60 7.289 -4.654 11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.048 -4.803 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.625 -3.149 9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.259 -2.596 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.059 -2.924 11.717 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.370 -5.387 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.540 -4.210 11.386 1.00 0.00 H new ATOM 0 HE ARG A 60 9.592 -5.665 13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.537 -2.706 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.564 -2.468 14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.640 -5.341 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.496 -3.952 15.922 1.00 0.00 H new ATOM 367 N VAL A 61 6.076 -2.136 9.516 1.00 0.00 N ATOM 368 CA VAL A 61 5.383 -0.852 9.629 1.00 0.00 C ATOM 369 C VAL A 61 4.014 -1.016 10.298 1.00 0.00 C ATOM 370 O VAL A 61 3.622 -0.189 11.122 1.00 0.00 O ATOM 371 CB VAL A 61 5.224 -0.146 8.257 1.00 0.00 C ATOM 372 CG1 VAL A 61 4.407 -0.982 7.285 1.00 0.00 C ATOM 373 CG2 VAL A 61 4.602 1.233 8.434 1.00 0.00 C ATOM 0 H VAL A 61 6.173 -2.481 8.561 1.00 0.00 H new ATOM 0 HA VAL A 61 6.008 -0.218 10.258 1.00 0.00 H new ATOM 0 HB VAL A 61 6.220 -0.028 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.318 -0.453 6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.903 -1.939 7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.413 -1.154 7.699 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.498 1.713 7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.620 1.133 8.896 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.242 1.842 9.072 1.00 0.00 H new ATOM 383 N ALA A 62 3.296 -2.090 9.947 1.00 0.00 N ATOM 384 CA ALA A 62 1.975 -2.359 10.526 1.00 0.00 C ATOM 385 C ALA A 62 2.048 -2.498 12.050 1.00 0.00 C ATOM 386 O ALA A 62 1.085 -2.182 12.751 1.00 0.00 O ATOM 387 CB ALA A 62 1.364 -3.615 9.917 1.00 0.00 C ATOM 0 H ALA A 62 3.607 -2.784 9.267 1.00 0.00 H new ATOM 0 HA ALA A 62 1.337 -1.506 10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.385 -3.795 10.361 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.255 -3.482 8.841 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.014 -4.468 10.113 1.00 0.00 H new ATOM 393 N LEU A 63 3.193 -2.968 12.555 1.00 0.00 N ATOM 394 CA LEU A 63 3.388 -3.141 13.996 1.00 0.00 C ATOM 395 C LEU A 63 3.355 -1.796 14.717 1.00 0.00 C ATOM 396 O LEU A 63 2.894 -1.704 15.855 1.00 0.00 O ATOM 397 CB LEU A 63 4.721 -3.841 14.282 1.00 0.00 C ATOM 398 CG LEU A 63 4.753 -5.342 13.981 1.00 0.00 C ATOM 399 CD1 LEU A 63 6.164 -5.787 13.620 1.00 0.00 C ATOM 400 CD2 LEU A 63 4.227 -6.135 15.170 1.00 0.00 C ATOM 0 H LEU A 63 3.997 -3.235 11.987 1.00 0.00 H new ATOM 0 HA LEU A 63 2.572 -3.760 14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.501 -3.354 13.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.972 -3.693 15.332 1.00 0.00 H new ATOM 0 HG LEU A 63 4.106 -5.535 13.126 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.166 -6.857 13.410 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.503 -5.243 12.738 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.835 -5.580 14.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.257 -7.200 14.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.848 -5.936 16.044 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.199 -5.838 15.380 1.00 0.00 H new ATOM 412 N VAL A 64 3.851 -0.757 14.048 1.00 0.00 N ATOM 413 CA VAL A 64 3.882 0.583 14.624 1.00 0.00 C ATOM 414 C VAL A 64 2.619 1.361 14.258 1.00 0.00 C ATOM 415 O VAL A 64 1.921 1.874 15.134 1.00 0.00 O ATOM 416 CB VAL A 64 5.123 1.384 14.166 1.00 0.00 C ATOM 417 CG1 VAL A 64 5.669 2.213 15.316 1.00 0.00 C ATOM 418 CG2 VAL A 64 6.207 0.466 13.609 1.00 0.00 C ATOM 0 H VAL A 64 4.237 -0.819 13.106 1.00 0.00 H new ATOM 0 HA VAL A 64 3.935 0.457 15.705 1.00 0.00 H new ATOM 0 HB VAL A 64 4.811 2.053 13.364 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.542 2.772 14.979 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.903 2.909 15.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.954 1.554 16.136 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.064 1.063 13.297 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.517 -0.240 14.380 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.815 -0.082 12.752 1.00 0.00 H new ATOM 428 N ARG A 65 2.328 1.438 12.960 1.00 0.00 N ATOM 429 CA ARG A 65 1.146 2.143 12.477 1.00 0.00 C ATOM 430 C ARG A 65 0.400 1.293 11.451 1.00 0.00 C ATOM 431 O ARG A 65 0.692 1.346 10.254 1.00 0.00 O ATOM 432 CB ARG A 65 1.535 3.492 11.863 1.00 0.00 C ATOM 433 CG ARG A 65 1.394 4.664 12.823 1.00 0.00 C ATOM 434 CD ARG A 65 2.623 4.814 13.709 1.00 0.00 C ATOM 435 NE ARG A 65 2.645 6.099 14.411 1.00 0.00 N ATOM 436 CZ ARG A 65 3.562 6.439 15.322 1.00 0.00 C ATOM 437 NH1 ARG A 65 4.545 5.599 15.636 1.00 0.00 N ATOM 438 NH2 ARG A 65 3.497 7.623 15.920 1.00 0.00 N ATOM 0 H ARG A 65 2.897 1.019 12.224 1.00 0.00 H new ATOM 0 HA ARG A 65 0.487 2.326 13.326 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.567 3.440 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.914 3.675 10.986 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.239 5.582 12.257 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.511 4.521 13.446 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.645 4.003 14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.522 4.719 13.100 1.00 0.00 H new ATOM 0 HE ARG A 65 1.915 6.777 14.191 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.603 4.688 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.241 5.866 16.332 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.747 8.273 15.684 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.197 7.882 16.615 1.00 0.00 H new ATOM 452 N ARG A 66 -0.569 0.512 11.931 1.00 0.00 N ATOM 453 CA ARG A 66 -1.367 -0.350 11.059 1.00 0.00 C ATOM 454 C ARG A 66 -2.107 0.475 10.005 1.00 0.00 C ATOM 455 O ARG A 66 -2.336 0.004 8.892 1.00 0.00 O ATOM 456 CB ARG A 66 -2.365 -1.176 11.879 1.00 0.00 C ATOM 457 CG ARG A 66 -2.597 -2.575 11.325 1.00 0.00 C ATOM 458 CD ARG A 66 -3.174 -3.507 12.381 1.00 0.00 C ATOM 459 NE ARG A 66 -3.551 -4.805 11.820 1.00 0.00 N ATOM 460 CZ ARG A 66 -2.684 -5.789 11.557 1.00 0.00 C ATOM 461 NH1 ARG A 66 -1.382 -5.626 11.792 1.00 0.00 N ATOM 462 NH2 ARG A 66 -3.122 -6.940 11.056 1.00 0.00 N ATOM 0 H ARG A 66 -0.820 0.459 12.918 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.686 -1.031 10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.003 -1.255 12.904 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.317 -0.647 11.917 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.277 -2.522 10.475 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.656 -2.981 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.441 -3.654 13.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.048 -3.042 12.837 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.537 -4.970 11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.039 -4.745 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.728 -6.382 11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.117 -7.071 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.463 -7.692 10.854 1.00 0.00 H new ATOM 476 N ASP A 67 -2.482 1.707 10.366 1.00 0.00 N ATOM 477 CA ASP A 67 -3.197 2.600 9.452 1.00 0.00 C ATOM 478 C ASP A 67 -2.428 2.780 8.143 1.00 0.00 C ATOM 479 O ASP A 67 -3.022 2.788 7.063 1.00 0.00 O ATOM 480 CB ASP A 67 -3.427 3.965 10.111 1.00 0.00 C ATOM 481 CG ASP A 67 -4.755 4.585 9.718 1.00 0.00 C ATOM 482 OD1 ASP A 67 -4.894 5.003 8.549 1.00 0.00 O ATOM 483 OD2 ASP A 67 -5.655 4.655 10.581 1.00 0.00 O ATOM 0 H ASP A 67 -2.301 2.108 11.286 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.161 2.144 9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.389 3.852 11.195 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.618 4.640 9.832 1.00 0.00 H new ATOM 488 N ARG A 68 -1.106 2.920 8.245 1.00 0.00 N ATOM 489 CA ARG A 68 -0.263 3.096 7.065 1.00 0.00 C ATOM 490 C ARG A 68 -0.317 1.862 6.165 1.00 0.00 C ATOM 491 O ARG A 68 -0.526 1.976 4.957 1.00 0.00 O ATOM 492 CB ARG A 68 1.183 3.383 7.478 1.00 0.00 C ATOM 493 CG ARG A 68 1.513 4.867 7.546 1.00 0.00 C ATOM 494 CD ARG A 68 2.389 5.192 8.745 1.00 0.00 C ATOM 495 NE ARG A 68 3.726 4.611 8.628 1.00 0.00 N ATOM 496 CZ ARG A 68 4.627 4.605 9.613 1.00 0.00 C ATOM 497 NH1 ARG A 68 4.338 5.152 10.791 1.00 0.00 N ATOM 498 NH2 ARG A 68 5.819 4.053 9.422 1.00 0.00 N ATOM 0 H ARG A 68 -0.598 2.915 9.130 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.645 3.948 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.370 2.933 8.453 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.857 2.901 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.022 5.169 6.631 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.590 5.443 7.603 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.473 6.274 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.912 4.821 9.652 1.00 0.00 H new ATOM 0 HE ARG A 68 3.986 4.184 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.424 5.579 10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.030 5.145 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.048 3.632 8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.506 4.049 10.176 1.00 0.00 H new ATOM 512 N ALA A 69 -0.135 0.685 6.762 1.00 0.00 N ATOM 513 CA ALA A 69 -0.170 -0.572 6.014 1.00 0.00 C ATOM 514 C ALA A 69 -1.565 -0.847 5.453 1.00 0.00 C ATOM 515 O ALA A 69 -1.702 -1.399 4.360 1.00 0.00 O ATOM 516 CB ALA A 69 0.283 -1.727 6.895 1.00 0.00 C ATOM 0 H ALA A 69 0.038 0.575 7.761 1.00 0.00 H new ATOM 0 HA ALA A 69 0.517 -0.479 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.251 -2.655 6.324 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.302 -1.546 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.379 -1.809 7.757 1.00 0.00 H new ATOM 522 N GLN A 70 -2.595 -0.454 6.206 1.00 0.00 N ATOM 523 CA GLN A 70 -3.982 -0.652 5.785 1.00 0.00 C ATOM 524 C GLN A 70 -4.280 0.132 4.511 1.00 0.00 C ATOM 525 O GLN A 70 -4.960 -0.362 3.613 1.00 0.00 O ATOM 526 CB GLN A 70 -4.947 -0.224 6.894 1.00 0.00 C ATOM 527 CG GLN A 70 -5.392 -1.371 7.787 1.00 0.00 C ATOM 528 CD GLN A 70 -6.120 -0.897 9.031 1.00 0.00 C ATOM 529 OE1 GLN A 70 -7.259 -1.287 9.282 1.00 0.00 O ATOM 530 NE2 GLN A 70 -5.463 -0.053 9.819 1.00 0.00 N ATOM 0 H GLN A 70 -2.493 0.004 7.112 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.122 -1.714 5.583 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -4.467 0.539 7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.826 0.236 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.045 -2.035 7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.521 -1.956 8.082 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.519 0.245 9.573 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -5.903 0.297 10.670 1.00 0.00 H new ATOM 539 N ALA A 71 -3.763 1.355 4.437 1.00 0.00 N ATOM 540 CA ALA A 71 -3.970 2.198 3.267 1.00 0.00 C ATOM 541 C ALA A 71 -3.236 1.639 2.046 1.00 0.00 C ATOM 542 O ALA A 71 -3.709 1.781 0.918 1.00 0.00 O ATOM 543 CB ALA A 71 -3.524 3.623 3.553 1.00 0.00 C ATOM 0 H ALA A 71 -3.199 1.782 5.172 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.036 2.206 3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.686 4.239 2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.101 4.025 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.465 3.628 3.810 1.00 0.00 H new ATOM 549 N VAL A 72 -2.084 0.999 2.273 1.00 0.00 N ATOM 550 CA VAL A 72 -1.305 0.423 1.176 1.00 0.00 C ATOM 551 C VAL A 72 -2.046 -0.753 0.539 1.00 0.00 C ATOM 552 O VAL A 72 -2.174 -0.822 -0.684 1.00 0.00 O ATOM 553 CB VAL A 72 0.093 -0.054 1.631 1.00 0.00 C ATOM 554 CG1 VAL A 72 0.906 -0.537 0.435 1.00 0.00 C ATOM 555 CG2 VAL A 72 0.833 1.054 2.368 1.00 0.00 C ATOM 0 H VAL A 72 -1.675 0.868 3.198 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.174 1.221 0.445 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.040 -0.888 2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.888 -0.869 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.388 -1.366 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.025 0.279 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.814 0.693 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.954 1.912 1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.261 1.351 3.247 1.00 0.00 H new ATOM 565 N GLU A 73 -2.541 -1.671 1.376 1.00 0.00 N ATOM 566 CA GLU A 73 -3.278 -2.837 0.883 1.00 0.00 C ATOM 567 C GLU A 73 -4.614 -2.413 0.273 1.00 0.00 C ATOM 568 O GLU A 73 -5.029 -2.945 -0.758 1.00 0.00 O ATOM 569 CB GLU A 73 -3.508 -3.864 2.004 1.00 0.00 C ATOM 570 CG GLU A 73 -4.143 -3.285 3.265 1.00 0.00 C ATOM 571 CD GLU A 73 -5.576 -3.745 3.486 1.00 0.00 C ATOM 572 OE1 GLU A 73 -6.369 -3.730 2.519 1.00 0.00 O ATOM 573 OE2 GLU A 73 -5.907 -4.115 4.631 1.00 0.00 O ATOM 0 H GLU A 73 -2.445 -1.629 2.391 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.673 -3.308 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.145 -4.663 1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.552 -4.317 2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.541 -3.568 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.124 -2.197 3.206 1.00 0.00 H new ATOM 580 N THR A 74 -5.278 -1.445 0.911 1.00 0.00 N ATOM 581 CA THR A 74 -6.563 -0.945 0.425 1.00 0.00 C ATOM 582 C THR A 74 -6.391 -0.206 -0.906 1.00 0.00 C ATOM 583 O THR A 74 -7.258 -0.275 -1.776 1.00 0.00 O ATOM 584 CB THR A 74 -7.218 -0.024 1.469 1.00 0.00 C ATOM 585 OG1 THR A 74 -7.529 -0.743 2.652 1.00 0.00 O ATOM 586 CG2 THR A 74 -8.502 0.626 0.989 1.00 0.00 C ATOM 0 H THR A 74 -4.946 -0.994 1.764 1.00 0.00 H new ATOM 0 HA THR A 74 -7.218 -1.801 0.260 1.00 0.00 H new ATOM 0 HB THR A 74 -6.480 0.757 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.740 -0.775 3.232 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.906 1.260 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.295 1.232 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.229 -0.146 0.737 1.00 0.00 H new ATOM 594 N TYR A 75 -5.267 0.494 -1.059 1.00 0.00 N ATOM 595 CA TYR A 75 -4.980 1.234 -2.282 1.00 0.00 C ATOM 596 C TYR A 75 -4.780 0.282 -3.466 1.00 0.00 C ATOM 597 O TYR A 75 -5.354 0.484 -4.538 1.00 0.00 O ATOM 598 CB TYR A 75 -3.741 2.117 -2.078 1.00 0.00 C ATOM 599 CG TYR A 75 -2.991 2.448 -3.348 1.00 0.00 C ATOM 600 CD1 TYR A 75 -3.520 3.326 -4.285 1.00 0.00 C ATOM 601 CD2 TYR A 75 -1.751 1.882 -3.605 1.00 0.00 C ATOM 602 CE1 TYR A 75 -2.834 3.629 -5.443 1.00 0.00 C ATOM 603 CE2 TYR A 75 -1.058 2.179 -4.760 1.00 0.00 C ATOM 604 CZ TYR A 75 -1.603 3.054 -5.678 1.00 0.00 C ATOM 605 OH TYR A 75 -0.914 3.356 -6.831 1.00 0.00 O ATOM 0 H TYR A 75 -4.540 0.562 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.834 1.872 -2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -4.048 3.047 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.061 1.614 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.484 3.779 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.321 1.197 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.259 4.313 -6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.094 1.729 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.064 2.868 -6.842 1.00 0.00 H new ATOM 615 N LEU A 76 -3.959 -0.752 -3.264 1.00 0.00 N ATOM 616 CA LEU A 76 -3.679 -1.729 -4.318 1.00 0.00 C ATOM 617 C LEU A 76 -4.941 -2.487 -4.733 1.00 0.00 C ATOM 618 O LEU A 76 -5.206 -2.644 -5.926 1.00 0.00 O ATOM 619 CB LEU A 76 -2.602 -2.722 -3.863 1.00 0.00 C ATOM 620 CG LEU A 76 -2.182 -3.751 -4.920 1.00 0.00 C ATOM 621 CD1 LEU A 76 -1.218 -3.130 -5.923 1.00 0.00 C ATOM 622 CD2 LEU A 76 -1.560 -4.976 -4.262 1.00 0.00 C ATOM 0 H LEU A 76 -3.478 -0.933 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.314 -1.176 -5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.720 -2.162 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.967 -3.254 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.074 -4.070 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.933 -3.877 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.703 -2.291 -6.422 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.328 -2.777 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.269 -5.693 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.680 -4.676 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.285 -5.437 -3.591 1.00 0.00 H new ATOM 634 N LYS A 77 -5.717 -2.954 -3.751 1.00 0.00 N ATOM 635 CA LYS A 77 -6.948 -3.694 -4.039 1.00 0.00 C ATOM 636 C LYS A 77 -7.929 -2.843 -4.849 1.00 0.00 C ATOM 637 O LYS A 77 -8.659 -3.367 -5.691 1.00 0.00 O ATOM 638 CB LYS A 77 -7.607 -4.197 -2.749 1.00 0.00 C ATOM 639 CG LYS A 77 -8.142 -3.095 -1.850 1.00 0.00 C ATOM 640 CD LYS A 77 -9.543 -3.414 -1.352 1.00 0.00 C ATOM 641 CE LYS A 77 -10.010 -2.398 -0.321 1.00 0.00 C ATOM 642 NZ LYS A 77 -11.105 -1.534 -0.844 1.00 0.00 N ATOM 0 H LYS A 77 -5.517 -2.834 -2.758 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.676 -4.561 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.426 -4.867 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.880 -4.786 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.474 -2.961 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.155 -2.152 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.236 -3.426 -2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.557 -4.412 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.355 -2.920 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.168 -1.774 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.254 -0.733 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.845 -1.175 -1.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.981 -2.089 -0.916 1.00 0.00 H new ATOM 656 N LYS A 78 -7.937 -1.530 -4.598 1.00 0.00 N ATOM 657 CA LYS A 78 -8.824 -0.619 -5.320 1.00 0.00 C ATOM 658 C LYS A 78 -8.475 -0.604 -6.808 1.00 0.00 C ATOM 659 O LYS A 78 -9.357 -0.709 -7.659 1.00 0.00 O ATOM 660 CB LYS A 78 -8.727 0.799 -4.743 1.00 0.00 C ATOM 661 CG LYS A 78 -9.408 0.963 -3.392 1.00 0.00 C ATOM 662 CD LYS A 78 -10.898 1.226 -3.543 1.00 0.00 C ATOM 663 CE LYS A 78 -11.230 2.698 -3.348 1.00 0.00 C ATOM 664 NZ LYS A 78 -12.699 2.934 -3.263 1.00 0.00 N ATOM 0 H LYS A 78 -7.342 -1.078 -3.904 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.848 -0.974 -5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.676 1.069 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.171 1.500 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.256 0.063 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.946 1.787 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.226 0.907 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.449 0.629 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.752 3.060 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.818 3.275 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.880 3.949 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.154 2.613 -4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.090 2.404 -2.458 1.00 0.00 H new ATOM 678 N LEU A 79 -7.180 -0.492 -7.112 1.00 0.00 N ATOM 679 CA LEU A 79 -6.711 -0.485 -8.500 1.00 0.00 C ATOM 680 C LEU A 79 -7.040 -1.809 -9.186 1.00 0.00 C ATOM 681 O LEU A 79 -7.514 -1.825 -10.322 1.00 0.00 O ATOM 682 CB LEU A 79 -5.200 -0.228 -8.560 1.00 0.00 C ATOM 683 CG LEU A 79 -4.699 0.961 -7.732 1.00 0.00 C ATOM 684 CD1 LEU A 79 -3.315 0.673 -7.166 1.00 0.00 C ATOM 685 CD2 LEU A 79 -4.684 2.230 -8.574 1.00 0.00 C ATOM 0 H LEU A 79 -6.438 -0.405 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.225 0.320 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.683 -1.126 -8.223 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.917 -0.068 -9.601 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.384 1.113 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.976 1.528 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.360 -0.209 -6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.618 0.493 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.326 3.063 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.023 2.091 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.693 2.445 -8.926 1.00 0.00 H new ATOM 697 N ILE A 80 -6.793 -2.917 -8.484 1.00 0.00 N ATOM 698 CA ILE A 80 -7.072 -4.247 -9.024 1.00 0.00 C ATOM 699 C ILE A 80 -8.568 -4.428 -9.282 1.00 0.00 C ATOM 700 O ILE A 80 -8.965 -4.955 -10.322 1.00 0.00 O ATOM 701 CB ILE A 80 -6.581 -5.370 -8.077 1.00 0.00 C ATOM 702 CG1 ILE A 80 -5.103 -5.171 -7.725 1.00 0.00 C ATOM 703 CG2 ILE A 80 -6.796 -6.738 -8.715 1.00 0.00 C ATOM 704 CD1 ILE A 80 -4.708 -5.788 -6.400 1.00 0.00 C ATOM 0 H ILE A 80 -6.401 -2.919 -7.542 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.527 -4.324 -9.965 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.163 -5.321 -7.157 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.489 -5.603 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.885 -4.103 -7.699 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.445 -7.515 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.858 -6.883 -8.916 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.239 -6.795 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.649 -5.608 -6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.296 -5.339 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.894 -6.862 -6.429 1.00 0.00 H new ATOM 716 N ALA A 81 -9.391 -3.985 -8.330 1.00 0.00 N ATOM 717 CA ALA A 81 -10.844 -4.096 -8.452 1.00 0.00 C ATOM 718 C ALA A 81 -11.374 -3.269 -9.624 1.00 0.00 C ATOM 719 O ALA A 81 -12.318 -3.679 -10.299 1.00 0.00 O ATOM 720 CB ALA A 81 -11.521 -3.666 -7.158 1.00 0.00 C ATOM 0 H ALA A 81 -9.075 -3.546 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.079 -5.142 -8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.602 -3.755 -7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.184 -4.305 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.262 -2.630 -6.939 1.00 0.00 H new ATOM 726 N THR A 82 -10.763 -2.107 -9.863 1.00 0.00 N ATOM 727 CA THR A 82 -11.183 -1.235 -10.958 1.00 0.00 C ATOM 728 C THR A 82 -10.752 -1.818 -12.306 1.00 0.00 C ATOM 729 O THR A 82 -11.594 -2.122 -13.153 1.00 0.00 O ATOM 730 CB THR A 82 -10.609 0.180 -10.777 1.00 0.00 C ATOM 731 OG1 THR A 82 -10.849 0.665 -9.465 1.00 0.00 O ATOM 732 CG2 THR A 82 -11.187 1.192 -11.744 1.00 0.00 C ATOM 0 H THR A 82 -9.980 -1.751 -9.315 1.00 0.00 H new ATOM 0 HA THR A 82 -12.271 -1.169 -10.942 1.00 0.00 H new ATOM 0 HB THR A 82 -9.541 0.076 -10.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.294 0.170 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.738 2.168 -11.560 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.974 0.881 -12.767 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.266 1.256 -11.602 1.00 0.00 H new ATOM 740 N ASN A 83 -9.441 -1.985 -12.491 1.00 0.00 N ATOM 741 CA ASN A 83 -8.897 -2.546 -13.735 1.00 0.00 C ATOM 742 C ASN A 83 -7.368 -2.654 -13.701 1.00 0.00 C ATOM 743 O ASN A 83 -6.796 -3.544 -14.334 1.00 0.00 O ATOM 744 CB ASN A 83 -9.329 -1.721 -14.961 1.00 0.00 C ATOM 745 CG ASN A 83 -9.481 -0.235 -14.675 1.00 0.00 C ATOM 746 OD1 ASN A 83 -10.593 0.291 -14.652 1.00 0.00 O ATOM 747 ND2 ASN A 83 -8.363 0.455 -14.469 1.00 0.00 N ATOM 0 H ASN A 83 -8.734 -1.741 -11.797 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.308 -3.552 -13.821 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -8.595 -1.856 -15.756 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.277 -2.109 -15.333 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.409 1.457 -14.284 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.460 -0.018 -14.496 1.00 0.00 H new ATOM 754 N ASN A 84 -6.708 -1.746 -12.974 1.00 0.00 N ATOM 755 CA ASN A 84 -5.249 -1.749 -12.880 1.00 0.00 C ATOM 756 C ASN A 84 -4.738 -3.025 -12.223 1.00 0.00 C ATOM 757 O ASN A 84 -4.708 -3.145 -10.996 1.00 0.00 O ATOM 758 CB ASN A 84 -4.761 -0.532 -12.100 1.00 0.00 C ATOM 759 CG ASN A 84 -4.429 0.633 -13.010 1.00 0.00 C ATOM 760 OD1 ASN A 84 -3.274 0.830 -13.387 1.00 0.00 O ATOM 761 ND2 ASN A 84 -5.442 1.411 -13.372 1.00 0.00 N ATOM 0 H ASN A 84 -7.162 -1.002 -12.444 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.853 -1.705 -13.895 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.527 -0.228 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -3.878 -0.803 -11.522 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.278 2.209 -13.986 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.384 1.211 -13.036 1.00 0.00 H new ATOM 768 N VAL A 85 -4.338 -3.970 -13.060 1.00 0.00 N ATOM 769 CA VAL A 85 -3.818 -5.253 -12.598 1.00 0.00 C ATOM 770 C VAL A 85 -2.621 -5.693 -13.446 1.00 0.00 C ATOM 771 O VAL A 85 -2.413 -6.886 -13.680 1.00 0.00 O ATOM 772 CB VAL A 85 -4.906 -6.353 -12.634 1.00 0.00 C ATOM 773 CG1 VAL A 85 -4.457 -7.581 -11.857 1.00 0.00 C ATOM 774 CG2 VAL A 85 -6.231 -5.834 -12.087 1.00 0.00 C ATOM 0 H VAL A 85 -4.363 -3.872 -14.075 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.497 -5.116 -11.565 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.057 -6.637 -13.675 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.237 -8.341 -11.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.542 -7.977 -12.299 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.269 -7.306 -10.819 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.976 -6.628 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.097 -5.511 -11.055 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.568 -4.991 -12.690 1.00 0.00 H new ATOM 784 N THR A 86 -1.832 -4.720 -13.903 1.00 0.00 N ATOM 785 CA THR A 86 -0.655 -5.004 -14.720 1.00 0.00 C ATOM 786 C THR A 86 0.594 -4.354 -14.117 1.00 0.00 C ATOM 787 O THR A 86 1.490 -3.916 -14.842 1.00 0.00 O ATOM 788 CB THR A 86 -0.872 -4.516 -16.158 1.00 0.00 C ATOM 789 OG1 THR A 86 -1.019 -3.108 -16.200 1.00 0.00 O ATOM 790 CG2 THR A 86 -2.091 -5.125 -16.821 1.00 0.00 C ATOM 0 H THR A 86 -1.988 -3.729 -13.720 1.00 0.00 H new ATOM 0 HA THR A 86 -0.503 -6.083 -14.738 1.00 0.00 H new ATOM 0 HB THR A 86 0.017 -4.834 -16.703 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.154 -2.821 -17.127 1.00 0.00 H new ATOM 0 HG21 THR A 86 -2.185 -4.737 -17.835 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.983 -6.209 -16.856 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.983 -4.867 -16.250 1.00 0.00 H new ATOM 798 N HIS A 87 0.647 -4.296 -12.783 1.00 0.00 N ATOM 799 CA HIS A 87 1.784 -3.702 -12.081 1.00 0.00 C ATOM 800 C HIS A 87 1.899 -4.244 -10.655 1.00 0.00 C ATOM 801 O HIS A 87 1.008 -4.943 -10.175 1.00 0.00 O ATOM 802 CB HIS A 87 1.655 -2.173 -12.047 1.00 0.00 C ATOM 803 CG HIS A 87 0.507 -1.672 -11.216 1.00 0.00 C ATOM 804 ND1 HIS A 87 -0.518 -0.908 -11.734 1.00 0.00 N ATOM 805 CD2 HIS A 87 0.225 -1.830 -9.897 1.00 0.00 C ATOM 806 CE1 HIS A 87 -1.378 -0.616 -10.774 1.00 0.00 C ATOM 807 NE2 HIS A 87 -0.950 -1.165 -9.652 1.00 0.00 N ATOM 0 H HIS A 87 -0.085 -4.654 -12.169 1.00 0.00 H new ATOM 0 HA HIS A 87 2.688 -3.973 -12.626 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.582 -1.750 -11.660 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.539 -1.806 -13.067 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -0.600 -0.614 -12.707 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.815 -2.377 -9.176 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.277 -0.029 -10.888 1.00 0.00 H new ATOM 816 N LYS A 88 2.996 -3.902 -9.979 1.00 0.00 N ATOM 817 CA LYS A 88 3.223 -4.339 -8.603 1.00 0.00 C ATOM 818 C LYS A 88 3.591 -3.153 -7.717 1.00 0.00 C ATOM 819 O LYS A 88 4.087 -2.136 -8.204 1.00 0.00 O ATOM 820 CB LYS A 88 4.333 -5.393 -8.552 1.00 0.00 C ATOM 821 CG LYS A 88 3.822 -6.823 -8.645 1.00 0.00 C ATOM 822 CD LYS A 88 4.921 -7.779 -9.082 1.00 0.00 C ATOM 823 CE LYS A 88 4.349 -9.091 -9.598 1.00 0.00 C ATOM 824 NZ LYS A 88 5.275 -9.772 -10.547 1.00 0.00 N ATOM 0 H LYS A 88 3.742 -3.323 -10.364 1.00 0.00 H new ATOM 0 HA LYS A 88 2.299 -4.781 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.032 -5.212 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.891 -5.276 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.431 -7.135 -7.677 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.995 -6.870 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.522 -7.311 -9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.587 -7.977 -8.242 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.143 -9.752 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.397 -8.901 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.845 -10.661 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.452 -9.153 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.174 -9.978 -10.067 1.00 0.00 H new ATOM 838 N ILE A 89 3.347 -3.287 -6.416 1.00 0.00 N ATOM 839 CA ILE A 89 3.659 -2.219 -5.470 1.00 0.00 C ATOM 840 C ILE A 89 5.168 -2.048 -5.311 1.00 0.00 C ATOM 841 O ILE A 89 5.662 -0.926 -5.271 1.00 0.00 O ATOM 842 CB ILE A 89 3.028 -2.471 -4.081 1.00 0.00 C ATOM 843 CG1 ILE A 89 1.519 -2.694 -4.210 1.00 0.00 C ATOM 844 CG2 ILE A 89 3.312 -1.301 -3.148 1.00 0.00 C ATOM 845 CD1 ILE A 89 0.810 -2.837 -2.880 1.00 0.00 C ATOM 0 H ILE A 89 2.936 -4.120 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 89 3.231 -1.306 -5.884 1.00 0.00 H new ATOM 0 HB ILE A 89 3.476 -3.370 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.082 -1.858 -4.757 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.342 -3.591 -4.804 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.861 -1.494 -2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.389 -1.182 -3.032 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.889 -0.389 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.255 -2.992 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.219 -3.691 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.955 -1.931 -2.291 1.00 0.00 H new ATOM 857 N THR A 90 5.888 -3.169 -5.216 1.00 0.00 N ATOM 858 CA THR A 90 7.349 -3.159 -5.054 1.00 0.00 C ATOM 859 C THR A 90 7.762 -2.459 -3.756 1.00 0.00 C ATOM 860 O THR A 90 7.013 -1.651 -3.203 1.00 0.00 O ATOM 861 CB THR A 90 8.045 -2.494 -6.260 1.00 0.00 C ATOM 862 OG1 THR A 90 8.106 -1.082 -6.108 1.00 0.00 O ATOM 863 CG2 THR A 90 7.375 -2.787 -7.590 1.00 0.00 C ATOM 0 H THR A 90 5.481 -4.104 -5.249 1.00 0.00 H new ATOM 0 HA THR A 90 7.671 -4.199 -5.002 1.00 0.00 H new ATOM 0 HB THR A 90 9.045 -2.929 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.273 -0.760 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.920 -2.286 -8.390 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.375 -3.862 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.348 -2.423 -7.568 1.00 0.00 H new ATOM 871 N GLU A 91 8.959 -2.777 -3.273 1.00 0.00 N ATOM 872 CA GLU A 91 9.475 -2.178 -2.042 1.00 0.00 C ATOM 873 C GLU A 91 9.687 -0.670 -2.199 1.00 0.00 C ATOM 874 O GLU A 91 9.535 0.083 -1.238 1.00 0.00 O ATOM 875 CB GLU A 91 10.792 -2.838 -1.626 1.00 0.00 C ATOM 876 CG GLU A 91 10.750 -4.357 -1.606 1.00 0.00 C ATOM 877 CD GLU A 91 11.955 -4.973 -2.289 1.00 0.00 C ATOM 878 OE1 GLU A 91 11.973 -5.015 -3.537 1.00 0.00 O ATOM 879 OE2 GLU A 91 12.885 -5.404 -1.576 1.00 0.00 O ATOM 0 H GLU A 91 9.591 -3.445 -3.713 1.00 0.00 H new ATOM 0 HA GLU A 91 8.729 -2.345 -1.265 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.578 -2.517 -2.310 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.067 -2.480 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.703 -4.704 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.840 -4.700 -2.099 1.00 0.00 H new ATOM 886 N ALA A 92 10.054 -0.238 -3.407 1.00 0.00 N ATOM 887 CA ALA A 92 10.301 1.180 -3.673 1.00 0.00 C ATOM 888 C ALA A 92 9.016 2.009 -3.640 1.00 0.00 C ATOM 889 O ALA A 92 8.980 3.081 -3.034 1.00 0.00 O ATOM 890 CB ALA A 92 11.007 1.353 -5.010 1.00 0.00 C ATOM 0 H ALA A 92 10.186 -0.848 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 92 10.945 1.550 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.184 2.413 -5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.960 0.824 -4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.384 0.946 -5.806 1.00 0.00 H new ATOM 896 N GLU A 93 7.966 1.519 -4.303 1.00 0.00 N ATOM 897 CA GLU A 93 6.692 2.240 -4.346 1.00 0.00 C ATOM 898 C GLU A 93 5.935 2.138 -3.021 1.00 0.00 C ATOM 899 O GLU A 93 5.277 3.092 -2.608 1.00 0.00 O ATOM 900 CB GLU A 93 5.817 1.728 -5.493 1.00 0.00 C ATOM 901 CG GLU A 93 5.301 2.828 -6.412 1.00 0.00 C ATOM 902 CD GLU A 93 6.255 3.148 -7.551 1.00 0.00 C ATOM 903 OE1 GLU A 93 6.935 2.222 -8.044 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.318 4.329 -7.953 1.00 0.00 O ATOM 0 H GLU A 93 7.972 0.635 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 93 6.923 3.291 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.390 1.013 -6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.967 1.188 -5.076 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.339 2.526 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.127 3.731 -5.827 1.00 0.00 H new ATOM 911 N ILE A 94 6.028 0.986 -2.352 1.00 0.00 N ATOM 912 CA ILE A 94 5.338 0.798 -1.076 1.00 0.00 C ATOM 913 C ILE A 94 5.862 1.770 -0.017 1.00 0.00 C ATOM 914 O ILE A 94 5.089 2.284 0.792 1.00 0.00 O ATOM 915 CB ILE A 94 5.458 -0.655 -0.557 1.00 0.00 C ATOM 916 CG1 ILE A 94 4.559 -0.858 0.665 1.00 0.00 C ATOM 917 CG2 ILE A 94 6.900 -1.002 -0.220 1.00 0.00 C ATOM 918 CD1 ILE A 94 4.116 -2.291 0.858 1.00 0.00 C ATOM 0 H ILE A 94 6.567 0.180 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 94 4.284 1.005 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 94 5.130 -1.326 -1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.092 -0.528 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.678 -0.224 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.952 -2.029 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.517 -0.900 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.266 -0.326 0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.482 -2.360 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.555 -2.619 -0.017 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.991 -2.928 0.988 1.00 0.00 H new ATOM 930 N VAL A 95 7.172 2.033 -0.034 1.00 0.00 N ATOM 931 CA VAL A 95 7.776 2.959 0.923 1.00 0.00 C ATOM 932 C VAL A 95 7.248 4.379 0.706 1.00 0.00 C ATOM 933 O VAL A 95 6.901 5.071 1.664 1.00 0.00 O ATOM 934 CB VAL A 95 9.320 2.964 0.829 1.00 0.00 C ATOM 935 CG1 VAL A 95 9.917 3.982 1.792 1.00 0.00 C ATOM 936 CG2 VAL A 95 9.881 1.574 1.101 1.00 0.00 C ATOM 0 H VAL A 95 7.829 1.620 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 95 7.497 2.613 1.918 1.00 0.00 H new ATOM 0 HB VAL A 95 9.597 3.252 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.004 3.968 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.547 4.977 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 95 9.628 3.730 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.968 1.600 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.590 1.254 2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.486 0.872 0.366 1.00 0.00 H new ATOM 946 N SER A 96 7.183 4.805 -0.558 1.00 0.00 N ATOM 947 CA SER A 96 6.686 6.139 -0.890 1.00 0.00 C ATOM 948 C SER A 96 5.203 6.274 -0.545 1.00 0.00 C ATOM 949 O SER A 96 4.784 7.287 0.018 1.00 0.00 O ATOM 950 CB SER A 96 6.918 6.456 -2.372 1.00 0.00 C ATOM 951 OG SER A 96 6.688 5.320 -3.190 1.00 0.00 O ATOM 0 H SER A 96 7.467 4.247 -1.363 1.00 0.00 H new ATOM 0 HA SER A 96 7.244 6.859 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.257 7.266 -2.679 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.940 6.807 -2.514 1.00 0.00 H new ATOM 0 HG SER A 96 6.050 4.722 -2.748 1.00 0.00 H new ATOM 957 N ILE A 97 4.412 5.245 -0.868 1.00 0.00 N ATOM 958 CA ILE A 97 2.979 5.267 -0.570 1.00 0.00 C ATOM 959 C ILE A 97 2.754 5.327 0.941 1.00 0.00 C ATOM 960 O ILE A 97 1.948 6.123 1.421 1.00 0.00 O ATOM 961 CB ILE A 97 2.233 4.038 -1.147 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.437 3.940 -2.662 1.00 0.00 C ATOM 963 CG2 ILE A 97 0.746 4.123 -0.821 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.394 2.520 -3.187 1.00 0.00 C ATOM 0 H ILE A 97 4.737 4.396 -1.331 1.00 0.00 H new ATOM 0 HA ILE A 97 2.573 6.159 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 97 2.645 3.140 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.668 4.528 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.397 4.386 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.233 3.253 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.611 4.146 0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.329 5.030 -1.258 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.546 2.526 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.181 1.933 -2.714 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.424 2.077 -2.959 1.00 0.00 H new ATOM 976 N LEU A 98 3.485 4.493 1.684 1.00 0.00 N ATOM 977 CA LEU A 98 3.374 4.466 3.142 1.00 0.00 C ATOM 978 C LEU A 98 3.720 5.835 3.732 1.00 0.00 C ATOM 979 O LEU A 98 3.053 6.308 4.653 1.00 0.00 O ATOM 980 CB LEU A 98 4.302 3.400 3.734 1.00 0.00 C ATOM 981 CG LEU A 98 3.769 1.965 3.688 1.00 0.00 C ATOM 982 CD1 LEU A 98 4.918 0.970 3.605 1.00 0.00 C ATOM 983 CD2 LEU A 98 2.902 1.679 4.906 1.00 0.00 C ATOM 0 H LEU A 98 4.158 3.830 1.300 1.00 0.00 H new ATOM 0 HA LEU A 98 2.344 4.219 3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.252 3.434 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.509 3.659 4.772 1.00 0.00 H new ATOM 0 HG LEU A 98 3.155 1.855 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.520 -0.044 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.499 1.160 2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.559 1.081 4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.532 0.655 4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.494 1.808 5.812 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.059 2.369 4.922 1.00 0.00 H new ATOM 995 N ASN A 99 4.763 6.468 3.187 1.00 0.00 N ATOM 996 CA ASN A 99 5.196 7.787 3.651 1.00 0.00 C ATOM 997 C ASN A 99 4.133 8.846 3.355 1.00 0.00 C ATOM 998 O ASN A 99 3.914 9.757 4.155 1.00 0.00 O ATOM 999 CB ASN A 99 6.521 8.182 2.992 1.00 0.00 C ATOM 1000 CG ASN A 99 7.721 7.811 3.842 1.00 0.00 C ATOM 1001 OD1 ASN A 99 8.137 8.573 4.714 1.00 0.00 O ATOM 1002 ND2 ASN A 99 8.285 6.634 3.593 1.00 0.00 N ATOM 0 H ASN A 99 5.323 6.087 2.424 1.00 0.00 H new ATOM 0 HA ASN A 99 5.340 7.731 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.601 7.693 2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 99 6.527 9.256 2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.095 6.332 4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.908 6.033 2.860 1.00 0.00 H new ATOM 1009 N GLY A 100 3.465 8.707 2.209 1.00 0.00 N ATOM 1010 CA GLY A 100 2.424 9.646 1.835 1.00 0.00 C ATOM 1011 C GLY A 100 1.162 9.435 2.643 1.00 0.00 C ATOM 1012 O GLY A 100 0.482 10.394 3.010 1.00 0.00 O ATOM 0 H GLY A 100 3.629 7.959 1.535 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.783 10.665 1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 100 2.199 9.536 0.774 1.00 0.00 H new ATOM 1016 N ILE A 101 0.863 8.170 2.932 1.00 0.00 N ATOM 1017 CA ILE A 101 -0.310 7.806 3.717 1.00 0.00 C ATOM 1018 C ILE A 101 -0.294 8.505 5.080 1.00 0.00 C ATOM 1019 O ILE A 101 -1.331 8.964 5.564 1.00 0.00 O ATOM 1020 CB ILE A 101 -0.386 6.272 3.904 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -0.987 5.622 2.655 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -1.192 5.907 5.141 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -0.655 4.151 2.510 1.00 0.00 C ATOM 0 H ILE A 101 1.425 7.374 2.630 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.195 8.136 3.172 1.00 0.00 H new ATOM 0 HB ILE A 101 0.626 5.893 4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.070 5.739 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.630 6.154 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.227 4.823 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.721 6.341 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.206 6.295 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.116 3.762 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.426 4.026 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.036 3.605 3.373 1.00 0.00 H new ATOM 1035 N ALA A 102 0.891 8.596 5.686 1.00 0.00 N ATOM 1036 CA ALA A 102 1.042 9.255 6.981 1.00 0.00 C ATOM 1037 C ALA A 102 0.958 10.775 6.829 1.00 0.00 C ATOM 1038 O ALA A 102 0.451 11.467 7.713 1.00 0.00 O ATOM 1039 CB ALA A 102 2.359 8.856 7.633 1.00 0.00 C ATOM 0 H ALA A 102 1.758 8.222 5.300 1.00 0.00 H new ATOM 0 HA ALA A 102 0.225 8.931 7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.454 9.356 8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.379 7.776 7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.188 9.149 6.988 1.00 0.00 H new ATOM 1045 N LYS A 103 1.455 11.287 5.699 1.00 0.00 N ATOM 1046 CA LYS A 103 1.433 12.724 5.429 1.00 0.00 C ATOM 1047 C LYS A 103 0.004 13.219 5.202 1.00 0.00 C ATOM 1048 O LYS A 103 -0.393 14.250 5.746 1.00 0.00 O ATOM 1049 CB LYS A 103 2.302 13.056 4.211 1.00 0.00 C ATOM 1050 CG LYS A 103 2.636 14.537 4.085 1.00 0.00 C ATOM 1051 CD LYS A 103 2.946 14.925 2.645 1.00 0.00 C ATOM 1052 CE LYS A 103 4.292 14.376 2.186 1.00 0.00 C ATOM 1053 NZ LYS A 103 5.420 14.870 3.027 1.00 0.00 N ATOM 0 H LYS A 103 1.877 10.727 4.958 1.00 0.00 H new ATOM 0 HA LYS A 103 1.839 13.234 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.230 12.487 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.786 12.730 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 103 1.798 15.131 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.492 14.772 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.159 14.551 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.947 16.011 2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 103 4.268 13.287 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.463 14.661 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 6.317 14.733 2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.286 15.882 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 5.444 14.340 3.921 1.00 0.00 H new ATOM 1067 N GLN A 104 -0.766 12.479 4.397 1.00 0.00 N ATOM 1068 CA GLN A 104 -2.153 12.850 4.104 1.00 0.00 C ATOM 1069 C GLN A 104 -2.986 12.958 5.384 1.00 0.00 C ATOM 1070 O GLN A 104 -3.958 13.712 5.433 1.00 0.00 O ATOM 1071 CB GLN A 104 -2.796 11.848 3.139 1.00 0.00 C ATOM 1072 CG GLN A 104 -2.876 10.425 3.673 1.00 0.00 C ATOM 1073 CD GLN A 104 -3.980 9.618 3.014 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -5.146 9.715 3.395 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -3.618 8.815 2.018 1.00 0.00 N ATOM 0 H GLN A 104 -0.453 11.623 3.939 1.00 0.00 H new ATOM 0 HA GLN A 104 -2.133 13.830 3.628 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.802 12.190 2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.229 11.843 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.920 9.926 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.044 10.453 4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.640 8.765 1.733 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.318 8.250 1.538 1.00 0.00 H new