USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 855 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 104 SER OG : rot 78:sc= 1.31 USER MOD Set 1.2: A 113 TYR OH : rot 2:sc= 0.677 USER MOD Set 2.1: A 80 HIS : no HD1:sc= -0.336 K(o=0.41,f=-6.3!) USER MOD Set 2.2: A 129 HIS : no HD1:sc= -0.481 K(o=0.41,f=-4.4) USER MOD Set 2.3: A 145 SER OG : rot 79:sc= 1.23 USER MOD Set 3.1: A 61 THR OG1 : rot 157:sc= 1.19 USER MOD Set 3.2: A 64 GLN : amide:sc= 1.01 K(o=2.2,f=-1.8) USER MOD Single : A 44 GLN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= 1.23 (180deg=0.121) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -4.19! C(o=-4.2!,f=-8.5!) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.194 USER MOD Single : A 70 SER OG : rot -100:sc= -0.233 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 75 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.12) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 89 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.47) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.445 X(o=0.44,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.3) USER MOD Single : A 115 ASN : amide:sc= -0.205 K(o=-0.2,f=-1.7!) USER MOD Single : A 122 CYS SG : rot -148:sc= -0.365 USER MOD Single : A 127 GLN : amide:sc=-0.000352 X(o=-0.00035,f=-0.00035) USER MOD Single : A 128 MET CE :methyl -121:sc= -0.422 (180deg=-0.939) USER MOD Single : A 130 GLN : amide:sc= 0.673 K(o=0.67,f=-0.0047) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 139 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.16) USER MOD Single : A 140 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.1) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.260 -4.213 -17.089 1.00 0.95 N ATOM 129 CA ALA A 42 -1.751 -3.054 -16.328 1.00 0.82 C ATOM 130 C ALA A 42 -3.280 -3.084 -16.094 1.00 0.65 C ATOM 131 O ALA A 42 -3.756 -2.681 -15.030 1.00 0.56 O ATOM 132 CB ALA A 42 -1.311 -1.767 -17.027 1.00 1.03 C ATOM 0 HA ALA A 42 -1.308 -3.095 -15.333 1.00 0.82 H new ATOM 0 HB1 ALA A 42 -1.673 -0.906 -16.466 1.00 1.03 H new ATOM 0 HB2 ALA A 42 -0.223 -1.735 -17.079 1.00 1.03 H new ATOM 0 HB3 ALA A 42 -1.723 -1.742 -18.036 1.00 1.03 H new ATOM 138 N GLU A 43 -4.048 -3.637 -17.037 1.00 0.68 N ATOM 139 CA GLU A 43 -5.490 -3.911 -16.895 1.00 0.62 C ATOM 140 C GLU A 43 -5.831 -5.064 -15.927 1.00 0.48 C ATOM 141 O GLU A 43 -6.943 -5.124 -15.403 1.00 0.49 O ATOM 142 CB GLU A 43 -6.123 -4.177 -18.271 1.00 0.76 C ATOM 143 CG GLU A 43 -5.441 -5.265 -19.115 1.00 0.85 C ATOM 144 CD GLU A 43 -4.510 -4.664 -20.166 1.00 1.90 C ATOM 145 OE1 GLU A 43 -3.431 -4.149 -19.795 1.00 3.22 O ATOM 146 OE2 GLU A 43 -4.837 -4.716 -21.372 1.00 2.42 O ATOM 0 H GLU A 43 -3.679 -3.916 -17.946 1.00 0.68 H new ATOM 0 HA GLU A 43 -5.913 -3.011 -16.449 1.00 0.62 H new ATOM 0 HB2 GLU A 43 -7.166 -4.457 -18.123 1.00 0.76 H new ATOM 0 HB3 GLU A 43 -6.120 -3.246 -18.839 1.00 0.76 H new ATOM 0 HG2 GLU A 43 -4.873 -5.929 -18.463 1.00 0.85 H new ATOM 0 HG3 GLU A 43 -6.200 -5.873 -19.607 1.00 0.85 H new ATOM 153 N GLN A 44 -4.889 -5.973 -15.658 1.00 0.46 N ATOM 154 CA GLN A 44 -5.015 -6.985 -14.604 1.00 0.44 C ATOM 155 C GLN A 44 -4.633 -6.394 -13.248 1.00 0.39 C ATOM 156 O GLN A 44 -5.383 -6.548 -12.288 1.00 0.39 O ATOM 157 CB GLN A 44 -4.125 -8.184 -14.943 1.00 0.58 C ATOM 158 CG GLN A 44 -3.950 -9.210 -13.816 1.00 0.75 C ATOM 159 CD GLN A 44 -5.239 -9.924 -13.415 1.00 0.96 C ATOM 160 OE1 GLN A 44 -5.527 -11.024 -13.855 1.00 1.36 O ATOM 161 NE2 GLN A 44 -6.066 -9.329 -12.584 1.00 0.97 N ATOM 0 H GLN A 44 -4.009 -6.028 -16.171 1.00 0.46 H new ATOM 0 HA GLN A 44 -6.051 -7.317 -14.545 1.00 0.44 H new ATOM 0 HB2 GLN A 44 -4.543 -8.692 -15.812 1.00 0.58 H new ATOM 0 HB3 GLN A 44 -3.141 -7.815 -15.232 1.00 0.58 H new ATOM 0 HG2 GLN A 44 -3.217 -9.954 -14.128 1.00 0.75 H new ATOM 0 HG3 GLN A 44 -3.540 -8.706 -12.941 1.00 0.75 H new ATOM 0 HE21 GLN A 44 -5.837 -8.409 -12.208 1.00 0.97 H new ATOM 0 HE22 GLN A 44 -6.936 -9.788 -12.315 1.00 0.97 H new ATOM 170 N LEU A 45 -3.495 -5.707 -13.163 1.00 0.41 N ATOM 171 CA LEU A 45 -3.076 -4.923 -11.998 1.00 0.35 C ATOM 172 C LEU A 45 -4.162 -3.935 -11.532 1.00 0.32 C ATOM 173 O LEU A 45 -4.349 -3.786 -10.335 1.00 0.34 O ATOM 174 CB LEU A 45 -1.783 -4.185 -12.356 1.00 0.38 C ATOM 175 CG LEU A 45 -0.464 -4.976 -12.212 1.00 0.49 C ATOM 176 CD1 LEU A 45 0.075 -4.858 -10.786 1.00 0.54 C ATOM 177 CD2 LEU A 45 -0.527 -6.467 -12.552 1.00 0.78 C ATOM 0 H LEU A 45 -2.817 -5.679 -13.925 1.00 0.41 H new ATOM 0 HA LEU A 45 -2.907 -5.601 -11.161 1.00 0.35 H new ATOM 0 HB2 LEU A 45 -1.862 -3.843 -13.388 1.00 0.38 H new ATOM 0 HB3 LEU A 45 -1.715 -3.296 -11.729 1.00 0.38 H new ATOM 0 HG LEU A 45 0.188 -4.514 -12.953 1.00 0.49 H new ATOM 0 HD11 LEU A 45 1.005 -5.421 -10.701 1.00 0.54 H new ATOM 0 HD12 LEU A 45 0.263 -3.810 -10.554 1.00 0.54 H new ATOM 0 HD13 LEU A 45 -0.658 -5.259 -10.086 1.00 0.54 H new ATOM 0 HD21 LEU A 45 0.458 -6.914 -12.413 1.00 0.78 H new ATOM 0 HD22 LEU A 45 -1.245 -6.960 -11.896 1.00 0.78 H new ATOM 0 HD23 LEU A 45 -0.839 -6.591 -13.589 1.00 0.78 H new ATOM 189 N ASP A 46 -4.941 -3.351 -12.448 1.00 0.34 N ATOM 190 CA ASP A 46 -6.142 -2.535 -12.160 1.00 0.39 C ATOM 191 C ASP A 46 -7.220 -3.323 -11.377 1.00 0.38 C ATOM 192 O ASP A 46 -7.760 -2.892 -10.345 1.00 0.41 O ATOM 193 CB ASP A 46 -6.680 -2.080 -13.527 1.00 0.53 C ATOM 194 CG ASP A 46 -8.026 -1.351 -13.527 1.00 1.02 C ATOM 195 OD1 ASP A 46 -8.143 -0.267 -12.908 1.00 1.47 O ATOM 196 OD2 ASP A 46 -8.958 -1.847 -14.204 1.00 2.25 O ATOM 0 H ASP A 46 -4.753 -3.432 -13.447 1.00 0.34 H new ATOM 0 HA ASP A 46 -5.882 -1.690 -11.522 1.00 0.39 H new ATOM 0 HB2 ASP A 46 -5.938 -1.425 -13.984 1.00 0.53 H new ATOM 0 HB3 ASP A 46 -6.768 -2.958 -14.167 1.00 0.53 H new ATOM 201 N ALA A 47 -7.467 -4.549 -11.832 1.00 0.38 N ATOM 202 CA ALA A 47 -8.440 -5.443 -11.216 1.00 0.42 C ATOM 203 C ALA A 47 -7.924 -5.927 -9.859 1.00 0.45 C ATOM 204 O ALA A 47 -8.721 -6.127 -8.946 1.00 0.55 O ATOM 205 CB ALA A 47 -8.726 -6.612 -12.164 1.00 0.46 C ATOM 0 H ALA A 47 -6.995 -4.951 -12.642 1.00 0.38 H new ATOM 0 HA ALA A 47 -9.375 -4.910 -11.039 1.00 0.42 H new ATOM 0 HB1 ALA A 47 -9.453 -7.282 -11.706 1.00 0.46 H new ATOM 0 HB2 ALA A 47 -9.126 -6.229 -13.103 1.00 0.46 H new ATOM 0 HB3 ALA A 47 -7.802 -7.157 -12.358 1.00 0.46 H new ATOM 211 N LEU A 48 -6.594 -6.046 -9.734 1.00 0.41 N ATOM 212 CA LEU A 48 -5.834 -6.454 -8.554 1.00 0.42 C ATOM 213 C LEU A 48 -5.786 -5.365 -7.473 1.00 0.34 C ATOM 214 O LEU A 48 -6.102 -5.654 -6.324 1.00 0.40 O ATOM 215 CB LEU A 48 -4.426 -6.850 -9.022 1.00 0.45 C ATOM 216 CG LEU A 48 -4.113 -8.349 -8.946 1.00 0.66 C ATOM 217 CD1 LEU A 48 -2.861 -8.659 -9.765 1.00 0.64 C ATOM 218 CD2 LEU A 48 -3.890 -8.779 -7.518 1.00 1.10 C ATOM 0 H LEU A 48 -5.978 -5.842 -10.521 1.00 0.41 H new ATOM 0 HA LEU A 48 -6.331 -7.301 -8.081 1.00 0.42 H new ATOM 0 HB2 LEU A 48 -4.296 -6.519 -10.052 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.695 -6.311 -8.420 1.00 0.45 H new ATOM 0 HG LEU A 48 -4.965 -8.896 -9.350 1.00 0.66 H new ATOM 0 HD11 LEU A 48 -2.643 -9.725 -9.707 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -3.028 -8.378 -10.805 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -2.017 -8.095 -9.368 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -3.670 -9.846 -7.490 1.00 1.10 H new ATOM 0 HD22 LEU A 48 -3.051 -8.224 -7.098 1.00 1.10 H new ATOM 0 HD23 LEU A 48 -4.788 -8.578 -6.933 1.00 1.10 H new ATOM 230 N VAL A 49 -5.518 -4.099 -7.810 1.00 0.29 N ATOM 231 CA VAL A 49 -5.781 -2.990 -6.870 1.00 0.31 C ATOM 232 C VAL A 49 -7.265 -2.883 -6.540 1.00 0.34 C ATOM 233 O VAL A 49 -7.599 -2.354 -5.484 1.00 0.44 O ATOM 234 CB VAL A 49 -5.261 -1.621 -7.344 1.00 0.35 C ATOM 235 CG1 VAL A 49 -3.756 -1.577 -7.527 1.00 0.38 C ATOM 236 CG2 VAL A 49 -5.887 -1.168 -8.655 1.00 0.39 C ATOM 0 H VAL A 49 -5.126 -3.814 -8.708 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.217 -3.247 -5.974 1.00 0.31 H new ATOM 0 HB VAL A 49 -5.552 -0.948 -6.538 1.00 0.35 H new ATOM 0 HG11 VAL A 49 -3.459 -0.583 -7.862 1.00 0.38 H new ATOM 0 HG12 VAL A 49 -3.267 -1.801 -6.579 1.00 0.38 H new ATOM 0 HG13 VAL A 49 -3.458 -2.315 -8.272 1.00 0.38 H new ATOM 0 HG21 VAL A 49 -5.480 -0.197 -8.936 1.00 0.39 H new ATOM 0 HG22 VAL A 49 -5.663 -1.895 -9.436 1.00 0.39 H new ATOM 0 HG23 VAL A 49 -6.967 -1.087 -8.534 1.00 0.39 H new ATOM 246 N LYS A 50 -8.155 -3.429 -7.385 1.00 0.33 N ATOM 247 CA LYS A 50 -9.566 -3.612 -7.026 1.00 0.43 C ATOM 248 C LYS A 50 -9.994 -4.945 -6.364 1.00 0.55 C ATOM 249 O LYS A 50 -11.196 -5.149 -6.167 1.00 0.72 O ATOM 250 CB LYS A 50 -10.456 -3.158 -8.194 1.00 0.45 C ATOM 251 CG LYS A 50 -11.558 -2.257 -7.634 1.00 1.64 C ATOM 252 CD LYS A 50 -11.085 -0.810 -7.433 1.00 0.96 C ATOM 253 CE LYS A 50 -12.113 0.074 -6.712 1.00 1.63 C ATOM 254 NZ LYS A 50 -13.446 0.087 -7.355 1.00 2.38 N ATOM 0 H LYS A 50 -7.919 -3.751 -8.323 1.00 0.33 H new ATOM 0 HA LYS A 50 -9.724 -2.957 -6.169 1.00 0.43 H new ATOM 0 HB2 LYS A 50 -9.865 -2.620 -8.935 1.00 0.45 H new ATOM 0 HB3 LYS A 50 -10.891 -4.021 -8.698 1.00 0.45 H new ATOM 0 HG2 LYS A 50 -12.411 -2.267 -8.312 1.00 1.64 H new ATOM 0 HG3 LYS A 50 -11.903 -2.659 -6.682 1.00 1.64 H new ATOM 0 HD2 LYS A 50 -10.157 -0.815 -6.861 1.00 0.96 H new ATOM 0 HD3 LYS A 50 -10.858 -0.372 -8.405 1.00 0.96 H new ATOM 0 HE2 LYS A 50 -12.219 -0.273 -5.684 1.00 1.63 H new ATOM 0 HE3 LYS A 50 -11.732 1.094 -6.666 1.00 1.63 H new ATOM 0 HZ1 LYS A 50 -14.086 0.703 -6.815 1.00 2.38 H new ATOM 0 HZ2 LYS A 50 -13.359 0.446 -8.327 1.00 2.38 H new ATOM 0 HZ3 LYS A 50 -13.831 -0.879 -7.376 1.00 2.38 H new ATOM 268 N LYS A 51 -9.071 -5.842 -5.977 1.00 0.54 N ATOM 269 CA LYS A 51 -9.361 -7.049 -5.158 1.00 0.66 C ATOM 270 C LYS A 51 -9.731 -6.709 -3.711 1.00 0.80 C ATOM 271 O LYS A 51 -10.465 -7.473 -3.082 1.00 1.04 O ATOM 272 CB LYS A 51 -8.151 -8.007 -5.117 1.00 0.74 C ATOM 273 CG LYS A 51 -8.217 -9.269 -5.982 1.00 0.90 C ATOM 274 CD LYS A 51 -8.511 -9.076 -7.469 1.00 1.10 C ATOM 275 CE LYS A 51 -7.644 -9.970 -8.366 1.00 0.94 C ATOM 276 NZ LYS A 51 -7.872 -11.419 -8.138 1.00 1.45 N ATOM 0 H LYS A 51 -8.085 -5.755 -6.224 1.00 0.54 H new ATOM 0 HA LYS A 51 -10.212 -7.526 -5.644 1.00 0.66 H new ATOM 0 HB2 LYS A 51 -7.266 -7.443 -5.412 1.00 0.74 H new ATOM 0 HB3 LYS A 51 -8.002 -8.316 -4.082 1.00 0.74 H new ATOM 0 HG2 LYS A 51 -7.266 -9.793 -5.890 1.00 0.90 H new ATOM 0 HG3 LYS A 51 -8.983 -9.924 -5.567 1.00 0.90 H new ATOM 0 HD2 LYS A 51 -9.563 -9.290 -7.658 1.00 1.10 H new ATOM 0 HD3 LYS A 51 -8.346 -8.032 -7.735 1.00 1.10 H new ATOM 0 HE2 LYS A 51 -7.850 -9.736 -9.410 1.00 0.94 H new ATOM 0 HE3 LYS A 51 -6.593 -9.741 -8.190 1.00 0.94 H new ATOM 0 HZ1 LYS A 51 -7.259 -11.971 -8.772 1.00 1.45 H new ATOM 0 HZ2 LYS A 51 -7.649 -11.654 -7.150 1.00 1.45 H new ATOM 0 HZ3 LYS A 51 -8.867 -11.649 -8.333 1.00 1.45 H new ATOM 290 N ASP A 52 -9.217 -5.598 -3.184 1.00 0.72 N ATOM 291 CA ASP A 52 -9.585 -5.049 -1.872 1.00 0.72 C ATOM 292 C ASP A 52 -9.651 -3.517 -1.925 1.00 0.70 C ATOM 293 O ASP A 52 -9.363 -2.906 -2.955 1.00 0.70 O ATOM 294 CB ASP A 52 -8.577 -5.507 -0.801 1.00 0.68 C ATOM 295 CG ASP A 52 -9.263 -5.787 0.532 1.00 0.71 C ATOM 296 OD1 ASP A 52 -9.655 -4.804 1.193 1.00 1.48 O ATOM 297 OD2 ASP A 52 -9.461 -6.966 0.905 1.00 2.12 O ATOM 0 H ASP A 52 -8.515 -5.038 -3.667 1.00 0.72 H new ATOM 0 HA ASP A 52 -10.573 -5.424 -1.606 1.00 0.72 H new ATOM 0 HB2 ASP A 52 -8.065 -6.406 -1.143 1.00 0.68 H new ATOM 0 HB3 ASP A 52 -7.816 -4.739 -0.665 1.00 0.68 H new ATOM 302 N LYS A 53 -9.982 -2.879 -0.802 1.00 0.70 N ATOM 303 CA LYS A 53 -9.941 -1.415 -0.635 1.00 0.67 C ATOM 304 C LYS A 53 -8.616 -0.858 -0.154 1.00 0.56 C ATOM 305 O LYS A 53 -8.386 0.343 -0.276 1.00 0.54 O ATOM 306 CB LYS A 53 -11.068 -0.895 0.241 1.00 0.72 C ATOM 307 CG LYS A 53 -11.780 -1.859 1.177 1.00 1.10 C ATOM 308 CD LYS A 53 -11.035 -2.172 2.484 1.00 0.70 C ATOM 309 CE LYS A 53 -11.761 -3.141 3.436 1.00 1.05 C ATOM 310 NZ LYS A 53 -11.705 -4.550 2.976 1.00 1.26 N ATOM 0 H LYS A 53 -10.293 -3.369 0.037 1.00 0.70 H new ATOM 0 HA LYS A 53 -10.077 -1.046 -1.652 1.00 0.67 H new ATOM 0 HB2 LYS A 53 -10.665 -0.084 0.848 1.00 0.72 H new ATOM 0 HB3 LYS A 53 -11.820 -0.458 -0.416 1.00 0.72 H new ATOM 0 HG2 LYS A 53 -12.757 -1.445 1.425 1.00 1.10 H new ATOM 0 HG3 LYS A 53 -11.956 -2.794 0.645 1.00 1.10 H new ATOM 0 HD2 LYS A 53 -10.061 -2.593 2.236 1.00 0.70 H new ATOM 0 HD3 LYS A 53 -10.853 -1.236 3.013 1.00 0.70 H new ATOM 0 HE2 LYS A 53 -11.316 -3.070 4.428 1.00 1.05 H new ATOM 0 HE3 LYS A 53 -12.803 -2.836 3.532 1.00 1.05 H new ATOM 0 HZ1 LYS A 53 -11.706 -5.185 3.800 1.00 1.26 H new ATOM 0 HZ2 LYS A 53 -12.533 -4.754 2.380 1.00 1.26 H new ATOM 0 HZ3 LYS A 53 -10.836 -4.701 2.424 1.00 1.26 H new ATOM 324 N VAL A 54 -7.770 -1.718 0.393 1.00 0.52 N ATOM 325 CA VAL A 54 -6.435 -1.370 0.880 1.00 0.44 C ATOM 326 C VAL A 54 -5.552 -2.490 0.399 1.00 0.46 C ATOM 327 O VAL A 54 -5.479 -3.569 0.987 1.00 0.63 O ATOM 328 CB VAL A 54 -6.328 -1.196 2.408 1.00 0.38 C ATOM 329 CG1 VAL A 54 -5.321 -0.109 2.758 1.00 0.43 C ATOM 330 CG2 VAL A 54 -7.656 -0.872 3.070 1.00 0.36 C ATOM 0 H VAL A 54 -7.995 -2.705 0.516 1.00 0.52 H new ATOM 0 HA VAL A 54 -6.146 -0.391 0.498 1.00 0.44 H new ATOM 0 HB VAL A 54 -5.994 -2.159 2.793 1.00 0.38 H new ATOM 0 HG11 VAL A 54 -5.262 -0.003 3.841 1.00 0.43 H new ATOM 0 HG12 VAL A 54 -4.341 -0.381 2.366 1.00 0.43 H new ATOM 0 HG13 VAL A 54 -5.638 0.836 2.318 1.00 0.43 H new ATOM 0 HG21 VAL A 54 -7.510 -0.763 4.145 1.00 0.36 H new ATOM 0 HG22 VAL A 54 -8.049 0.059 2.661 1.00 0.36 H new ATOM 0 HG23 VAL A 54 -8.364 -1.679 2.881 1.00 0.36 H new ATOM 340 N VAL A 55 -4.971 -2.263 -0.762 1.00 0.41 N ATOM 341 CA VAL A 55 -4.160 -3.299 -1.387 1.00 0.41 C ATOM 342 C VAL A 55 -2.707 -2.901 -1.230 1.00 0.40 C ATOM 343 O VAL A 55 -2.274 -1.875 -1.756 1.00 0.41 O ATOM 344 CB VAL A 55 -4.606 -3.585 -2.831 1.00 0.40 C ATOM 345 CG1 VAL A 55 -4.119 -4.978 -3.184 1.00 1.00 C ATOM 346 CG2 VAL A 55 -6.126 -3.714 -2.977 1.00 1.07 C ATOM 0 H VAL A 55 -5.040 -1.391 -1.286 1.00 0.41 H new ATOM 0 HA VAL A 55 -4.297 -4.260 -0.892 1.00 0.41 H new ATOM 0 HB VAL A 55 -4.224 -2.768 -3.443 1.00 0.40 H new ATOM 0 HG11 VAL A 55 -4.416 -5.220 -4.204 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -3.033 -5.015 -3.104 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -4.558 -5.702 -2.497 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -6.376 -3.915 -4.019 1.00 1.07 H new ATOM 0 HG22 VAL A 55 -6.483 -4.533 -2.353 1.00 1.07 H new ATOM 0 HG23 VAL A 55 -6.602 -2.785 -2.663 1.00 1.07 H new ATOM 356 N VAL A 56 -1.976 -3.698 -0.451 1.00 0.38 N ATOM 357 CA VAL A 56 -0.589 -3.435 -0.047 1.00 0.39 C ATOM 358 C VAL A 56 0.325 -4.360 -0.812 1.00 0.39 C ATOM 359 O VAL A 56 -0.077 -5.455 -1.162 1.00 0.40 O ATOM 360 CB VAL A 56 -0.418 -3.547 1.474 1.00 0.38 C ATOM 361 CG1 VAL A 56 0.962 -3.152 1.962 1.00 0.39 C ATOM 362 CG2 VAL A 56 -1.301 -2.510 2.144 1.00 0.39 C ATOM 0 H VAL A 56 -2.341 -4.571 -0.071 1.00 0.38 H new ATOM 0 HA VAL A 56 -0.319 -2.408 -0.295 1.00 0.39 H new ATOM 0 HB VAL A 56 -0.640 -4.588 1.707 1.00 0.38 H new ATOM 0 HG11 VAL A 56 1.008 -3.256 3.046 1.00 0.39 H new ATOM 0 HG12 VAL A 56 1.709 -3.799 1.503 1.00 0.39 H new ATOM 0 HG13 VAL A 56 1.162 -2.116 1.688 1.00 0.39 H new ATOM 0 HG21 VAL A 56 -1.188 -2.580 3.226 1.00 0.39 H new ATOM 0 HG22 VAL A 56 -1.008 -1.514 1.812 1.00 0.39 H new ATOM 0 HG23 VAL A 56 -2.342 -2.690 1.876 1.00 0.39 H new ATOM 372 N PHE A 57 1.530 -3.911 -1.121 1.00 0.41 N ATOM 373 CA PHE A 57 2.319 -4.500 -2.199 1.00 0.44 C ATOM 374 C PHE A 57 3.797 -4.501 -1.828 1.00 0.51 C ATOM 375 O PHE A 57 4.459 -3.464 -1.951 1.00 0.65 O ATOM 376 CB PHE A 57 2.092 -3.569 -3.388 1.00 0.43 C ATOM 377 CG PHE A 57 0.821 -3.819 -4.174 1.00 0.38 C ATOM 378 CD1 PHE A 57 0.731 -4.910 -5.060 1.00 1.80 C ATOM 379 CD2 PHE A 57 -0.264 -2.940 -4.041 1.00 1.63 C ATOM 380 CE1 PHE A 57 -0.439 -5.112 -5.817 1.00 1.74 C ATOM 381 CE2 PHE A 57 -1.434 -3.144 -4.793 1.00 1.70 C ATOM 382 CZ PHE A 57 -1.523 -4.224 -5.691 1.00 0.39 C ATOM 0 H PHE A 57 1.988 -3.137 -0.640 1.00 0.41 H new ATOM 0 HA PHE A 57 2.033 -5.531 -2.406 1.00 0.44 H new ATOM 0 HB2 PHE A 57 2.079 -2.541 -3.026 1.00 0.43 H new ATOM 0 HB3 PHE A 57 2.942 -3.658 -4.065 1.00 0.43 H new ATOM 0 HD1 PHE A 57 1.561 -5.593 -5.159 1.00 1.80 H new ATOM 0 HD2 PHE A 57 -0.200 -2.105 -3.359 1.00 1.63 H new ATOM 0 HE1 PHE A 57 -0.504 -5.950 -6.495 1.00 1.74 H new ATOM 0 HE2 PHE A 57 -2.269 -2.468 -4.681 1.00 1.70 H new ATOM 0 HZ PHE A 57 -2.417 -4.370 -6.279 1.00 0.39 H new ATOM 392 N LEU A 58 4.327 -5.647 -1.386 1.00 0.50 N ATOM 393 CA LEU A 58 5.675 -5.691 -0.837 1.00 0.52 C ATOM 394 C LEU A 58 6.387 -7.050 -1.062 1.00 0.56 C ATOM 395 O LEU A 58 5.754 -8.106 -1.232 1.00 0.61 O ATOM 396 CB LEU A 58 5.664 -5.200 0.632 1.00 0.42 C ATOM 397 CG LEU A 58 4.354 -5.283 1.448 1.00 0.42 C ATOM 398 CD1 LEU A 58 3.926 -6.690 1.869 1.00 0.46 C ATOM 399 CD2 LEU A 58 4.543 -4.416 2.683 1.00 0.51 C ATOM 0 H LEU A 58 3.844 -6.545 -1.400 1.00 0.50 H new ATOM 0 HA LEU A 58 6.298 -4.995 -1.398 1.00 0.52 H new ATOM 0 HB2 LEU A 58 6.423 -5.766 1.172 1.00 0.42 H new ATOM 0 HB3 LEU A 58 5.984 -4.158 0.631 1.00 0.42 H new ATOM 0 HG LEU A 58 3.550 -4.939 0.798 1.00 0.42 H new ATOM 0 HD11 LEU A 58 2.996 -6.633 2.435 1.00 0.46 H new ATOM 0 HD12 LEU A 58 3.774 -7.305 0.982 1.00 0.46 H new ATOM 0 HD13 LEU A 58 4.703 -7.136 2.490 1.00 0.46 H new ATOM 0 HD21 LEU A 58 3.638 -4.446 3.290 1.00 0.51 H new ATOM 0 HD22 LEU A 58 5.384 -4.792 3.266 1.00 0.51 H new ATOM 0 HD23 LEU A 58 4.742 -3.388 2.379 1.00 0.51 H new ATOM 411 N LYS A 59 7.729 -7.029 -1.082 1.00 0.56 N ATOM 412 CA LYS A 59 8.593 -8.224 -1.213 1.00 0.58 C ATOM 413 C LYS A 59 8.787 -8.952 0.123 1.00 0.58 C ATOM 414 O LYS A 59 9.909 -9.179 0.577 1.00 0.62 O ATOM 415 CB LYS A 59 9.936 -7.811 -1.861 1.00 0.60 C ATOM 416 CG LYS A 59 10.731 -6.735 -1.076 1.00 0.70 C ATOM 417 CD LYS A 59 12.029 -6.261 -1.739 1.00 0.80 C ATOM 418 CE LYS A 59 11.770 -5.741 -3.153 1.00 1.60 C ATOM 419 NZ LYS A 59 13.002 -5.259 -3.810 1.00 2.26 N ATOM 0 H LYS A 59 8.261 -6.162 -1.006 1.00 0.56 H new ATOM 0 HA LYS A 59 8.099 -8.945 -1.864 1.00 0.58 H new ATOM 0 HB2 LYS A 59 10.560 -8.698 -1.968 1.00 0.60 H new ATOM 0 HB3 LYS A 59 9.739 -7.437 -2.866 1.00 0.60 H new ATOM 0 HG2 LYS A 59 10.085 -5.871 -0.922 1.00 0.70 H new ATOM 0 HG3 LYS A 59 10.971 -7.133 -0.090 1.00 0.70 H new ATOM 0 HD2 LYS A 59 12.482 -5.474 -1.136 1.00 0.80 H new ATOM 0 HD3 LYS A 59 12.743 -7.084 -1.776 1.00 0.80 H new ATOM 0 HE2 LYS A 59 11.328 -6.536 -3.754 1.00 1.60 H new ATOM 0 HE3 LYS A 59 11.043 -4.930 -3.112 1.00 1.60 H new ATOM 0 HZ1 LYS A 59 12.775 -4.917 -4.765 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 13.412 -4.482 -3.253 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 13.688 -6.038 -3.875 1.00 2.26 H new ATOM 433 N GLY A 60 7.688 -9.425 0.706 1.00 0.61 N ATOM 434 CA GLY A 60 7.707 -9.881 2.100 1.00 0.66 C ATOM 435 C GLY A 60 6.468 -10.596 2.561 1.00 1.14 C ATOM 436 O GLY A 60 6.003 -11.484 1.868 1.00 2.11 O ATOM 0 H GLY A 60 6.782 -9.504 0.244 1.00 0.61 H new ATOM 0 HA2 GLY A 60 8.561 -10.545 2.236 1.00 0.66 H new ATOM 0 HA3 GLY A 60 7.869 -9.017 2.745 1.00 0.66 H new ATOM 440 N THR A 61 5.980 -10.149 3.723 1.00 0.63 N ATOM 441 CA THR A 61 4.698 -10.349 4.432 1.00 0.66 C ATOM 442 C THR A 61 4.594 -9.220 5.480 1.00 0.55 C ATOM 443 O THR A 61 5.615 -8.625 5.834 1.00 0.55 O ATOM 444 CB THR A 61 4.666 -11.693 5.193 1.00 0.70 C ATOM 445 OG1 THR A 61 5.782 -11.781 6.046 1.00 0.70 O ATOM 446 CG2 THR A 61 4.672 -12.951 4.328 1.00 0.95 C ATOM 0 H THR A 61 6.572 -9.536 4.283 1.00 0.63 H new ATOM 0 HA THR A 61 3.883 -10.345 3.708 1.00 0.66 H new ATOM 0 HB THR A 61 3.713 -11.674 5.721 1.00 0.70 H new ATOM 0 HG1 THR A 61 5.590 -12.410 6.773 1.00 0.70 H new ATOM 0 HG21 THR A 61 4.648 -13.833 4.968 1.00 0.95 H new ATOM 0 HG22 THR A 61 3.797 -12.950 3.678 1.00 0.95 H new ATOM 0 HG23 THR A 61 5.576 -12.969 3.719 1.00 0.95 H new ATOM 454 N PRO A 62 3.400 -8.888 6.008 1.00 0.51 N ATOM 455 CA PRO A 62 3.242 -7.763 6.940 1.00 0.49 C ATOM 456 C PRO A 62 3.844 -8.018 8.336 1.00 0.57 C ATOM 457 O PRO A 62 4.147 -7.076 9.069 1.00 0.75 O ATOM 458 CB PRO A 62 1.730 -7.516 7.007 1.00 0.50 C ATOM 459 CG PRO A 62 1.122 -8.880 6.676 1.00 0.55 C ATOM 460 CD PRO A 62 2.108 -9.473 5.679 1.00 0.59 C ATOM 0 HA PRO A 62 3.793 -6.893 6.584 1.00 0.49 H new ATOM 0 HB2 PRO A 62 1.424 -7.171 7.995 1.00 0.50 H new ATOM 0 HB3 PRO A 62 1.417 -6.755 6.293 1.00 0.50 H new ATOM 0 HG2 PRO A 62 1.026 -9.503 7.565 1.00 0.55 H new ATOM 0 HG3 PRO A 62 0.125 -8.782 6.246 1.00 0.55 H new ATOM 0 HD2 PRO A 62 2.139 -10.560 5.758 1.00 0.59 H new ATOM 0 HD3 PRO A 62 1.820 -9.236 4.655 1.00 0.59 H new ATOM 468 N GLU A 63 4.033 -9.284 8.715 1.00 0.65 N ATOM 469 CA GLU A 63 4.423 -9.722 10.067 1.00 0.89 C ATOM 470 C GLU A 63 5.878 -10.228 10.173 1.00 0.94 C ATOM 471 O GLU A 63 6.326 -10.619 11.254 1.00 1.13 O ATOM 472 CB GLU A 63 3.403 -10.775 10.529 1.00 1.16 C ATOM 473 CG GLU A 63 2.020 -10.175 10.826 1.00 3.22 C ATOM 474 CD GLU A 63 1.957 -9.590 12.237 1.00 5.21 C ATOM 475 OE1 GLU A 63 2.338 -8.409 12.437 1.00 6.42 O ATOM 476 OE2 GLU A 63 1.536 -10.318 13.167 1.00 6.21 O ATOM 0 H GLU A 63 3.916 -10.065 8.069 1.00 0.65 H new ATOM 0 HA GLU A 63 4.406 -8.857 10.730 1.00 0.89 H new ATOM 0 HB2 GLU A 63 3.304 -11.540 9.759 1.00 1.16 H new ATOM 0 HB3 GLU A 63 3.779 -11.270 11.424 1.00 1.16 H new ATOM 0 HG2 GLU A 63 1.796 -9.396 10.097 1.00 3.22 H new ATOM 0 HG3 GLU A 63 1.256 -10.945 10.715 1.00 3.22 H new ATOM 483 N GLN A 64 6.637 -10.233 9.070 1.00 0.90 N ATOM 484 CA GLN A 64 8.063 -10.522 9.051 1.00 0.99 C ATOM 485 C GLN A 64 8.801 -9.453 8.211 1.00 1.07 C ATOM 486 O GLN A 64 8.554 -9.381 7.002 1.00 1.11 O ATOM 487 CB GLN A 64 8.282 -11.919 8.471 1.00 1.07 C ATOM 488 CG GLN A 64 7.730 -13.102 9.292 1.00 1.19 C ATOM 489 CD GLN A 64 6.255 -13.418 9.024 1.00 2.56 C ATOM 490 OE1 GLN A 64 5.848 -13.730 7.910 1.00 3.80 O ATOM 491 NE2 GLN A 64 5.398 -13.362 10.017 1.00 3.49 N ATOM 0 H GLN A 64 6.259 -10.030 8.145 1.00 0.90 H new ATOM 0 HA GLN A 64 8.464 -10.495 10.064 1.00 0.99 H new ATOM 0 HB2 GLN A 64 7.829 -11.951 7.480 1.00 1.07 H new ATOM 0 HB3 GLN A 64 9.353 -12.068 8.337 1.00 1.07 H new ATOM 0 HG2 GLN A 64 8.325 -13.989 9.076 1.00 1.19 H new ATOM 0 HG3 GLN A 64 7.857 -12.884 10.353 1.00 1.19 H new ATOM 0 HE21 GLN A 64 5.716 -13.105 10.951 1.00 3.49 H new ATOM 0 HE22 GLN A 64 4.414 -13.576 9.854 1.00 3.49 H new ATOM 500 N PRO A 65 9.710 -8.637 8.782 1.00 1.29 N ATOM 501 CA PRO A 65 10.458 -7.616 8.039 1.00 1.38 C ATOM 502 C PRO A 65 11.513 -8.253 7.120 1.00 1.24 C ATOM 503 O PRO A 65 12.675 -8.467 7.468 1.00 1.45 O ATOM 504 CB PRO A 65 11.030 -6.673 9.102 1.00 1.67 C ATOM 505 CG PRO A 65 11.198 -7.581 10.317 1.00 1.86 C ATOM 506 CD PRO A 65 10.027 -8.555 10.203 1.00 1.57 C ATOM 0 HA PRO A 65 9.829 -7.051 7.351 1.00 1.38 H new ATOM 0 HB2 PRO A 65 11.980 -6.240 8.788 1.00 1.67 H new ATOM 0 HB3 PRO A 65 10.355 -5.843 9.310 1.00 1.67 H new ATOM 0 HG2 PRO A 65 12.156 -8.102 10.299 1.00 1.86 H new ATOM 0 HG3 PRO A 65 11.160 -7.016 11.248 1.00 1.86 H new ATOM 0 HD2 PRO A 65 10.294 -9.534 10.600 1.00 1.57 H new ATOM 0 HD3 PRO A 65 9.169 -8.202 10.775 1.00 1.57 H new ATOM 514 N GLN A 66 11.043 -8.525 5.906 1.00 1.00 N ATOM 515 CA GLN A 66 11.752 -8.881 4.672 1.00 0.76 C ATOM 516 C GLN A 66 13.035 -8.070 4.403 1.00 0.76 C ATOM 517 O GLN A 66 14.074 -8.628 4.045 1.00 0.89 O ATOM 518 CB GLN A 66 10.768 -8.635 3.508 1.00 0.68 C ATOM 519 CG GLN A 66 9.873 -7.393 3.711 1.00 1.35 C ATOM 520 CD GLN A 66 9.448 -6.646 2.461 1.00 1.03 C ATOM 521 OE1 GLN A 66 8.344 -6.780 1.979 1.00 1.89 O ATOM 522 NE2 GLN A 66 10.222 -5.700 1.986 1.00 0.99 N ATOM 0 H GLN A 66 10.037 -8.499 5.740 1.00 1.00 H new ATOM 0 HA GLN A 66 12.074 -9.918 4.769 1.00 0.76 H new ATOM 0 HB2 GLN A 66 11.333 -8.519 2.583 1.00 0.68 H new ATOM 0 HB3 GLN A 66 10.135 -9.514 3.386 1.00 0.68 H new ATOM 0 HG2 GLN A 66 8.974 -7.705 4.243 1.00 1.35 H new ATOM 0 HG3 GLN A 66 10.402 -6.695 4.361 1.00 1.35 H new ATOM 0 HE21 GLN A 66 11.156 -5.564 2.372 1.00 0.99 H new ATOM 0 HE22 GLN A 66 9.890 -5.101 1.231 1.00 0.99 H new ATOM 531 N CYS A 67 12.930 -6.745 4.504 1.00 0.77 N ATOM 532 CA CYS A 67 13.945 -5.753 4.136 1.00 0.86 C ATOM 533 C CYS A 67 13.628 -4.447 4.904 1.00 0.92 C ATOM 534 O CYS A 67 12.767 -4.460 5.792 1.00 1.62 O ATOM 535 CB CYS A 67 13.887 -5.615 2.595 1.00 0.96 C ATOM 536 SG CYS A 67 15.262 -4.635 1.940 1.00 1.42 S ATOM 0 H CYS A 67 12.083 -6.307 4.867 1.00 0.77 H new ATOM 0 HA CYS A 67 14.963 -6.032 4.406 1.00 0.86 H new ATOM 0 HB2 CYS A 67 13.903 -6.607 2.143 1.00 0.96 H new ATOM 0 HB3 CYS A 67 12.944 -5.150 2.309 1.00 0.96 H new ATOM 0 HG CYS A 67 15.161 -4.556 0.646 1.00 1.42 H new ATOM 542 N GLY A 68 14.218 -3.308 4.536 1.00 0.99 N ATOM 543 CA GLY A 68 13.654 -1.992 4.865 1.00 1.11 C ATOM 544 C GLY A 68 12.211 -1.837 4.358 1.00 1.18 C ATOM 545 O GLY A 68 11.705 -2.653 3.578 1.00 2.09 O ATOM 0 H GLY A 68 15.090 -3.268 4.008 1.00 0.99 H new ATOM 0 HA2 GLY A 68 13.675 -1.849 5.945 1.00 1.11 H new ATOM 0 HA3 GLY A 68 14.277 -1.212 4.428 1.00 1.11 H new ATOM 549 N PHE A 69 11.561 -0.751 4.772 1.00 0.90 N ATOM 550 CA PHE A 69 10.272 -0.232 4.284 1.00 0.83 C ATOM 551 C PHE A 69 9.006 -1.063 4.579 1.00 0.63 C ATOM 552 O PHE A 69 7.915 -0.497 4.631 1.00 0.65 O ATOM 553 CB PHE A 69 10.385 0.080 2.784 1.00 1.40 C ATOM 554 CG PHE A 69 11.171 1.314 2.381 1.00 0.80 C ATOM 555 CD1 PHE A 69 12.294 1.807 3.075 1.00 1.62 C ATOM 556 CD2 PHE A 69 10.710 2.017 1.268 1.00 1.99 C ATOM 557 CE1 PHE A 69 12.886 3.015 2.678 1.00 2.15 C ATOM 558 CE2 PHE A 69 11.219 3.270 0.927 1.00 2.12 C ATOM 559 CZ PHE A 69 12.334 3.772 1.624 1.00 1.78 C ATOM 0 H PHE A 69 11.945 -0.163 5.512 1.00 0.90 H new ATOM 0 HA PHE A 69 10.104 0.667 4.877 1.00 0.83 H new ATOM 0 HB2 PHE A 69 10.839 -0.782 2.295 1.00 1.40 H new ATOM 0 HB3 PHE A 69 9.376 0.179 2.384 1.00 1.40 H new ATOM 0 HD1 PHE A 69 12.698 1.256 3.911 1.00 1.62 H new ATOM 0 HD2 PHE A 69 9.938 1.579 0.653 1.00 1.99 H new ATOM 0 HE1 PHE A 69 13.772 3.368 3.184 1.00 2.15 H new ATOM 0 HE2 PHE A 69 10.763 3.848 0.137 1.00 2.12 H new ATOM 0 HZ PHE A 69 12.762 4.726 1.355 1.00 1.78 H new ATOM 569 N SER A 70 9.108 -2.379 4.772 1.00 0.65 N ATOM 570 CA SER A 70 7.948 -3.277 4.923 1.00 0.65 C ATOM 571 C SER A 70 7.167 -3.063 6.221 1.00 0.55 C ATOM 572 O SER A 70 5.956 -3.259 6.254 1.00 0.61 O ATOM 573 CB SER A 70 8.424 -4.726 4.836 1.00 0.81 C ATOM 574 OG SER A 70 9.001 -5.214 6.030 1.00 1.92 O ATOM 0 H SER A 70 10.005 -2.862 4.829 1.00 0.65 H new ATOM 0 HA SER A 70 7.257 -3.042 4.113 1.00 0.65 H new ATOM 0 HB2 SER A 70 7.579 -5.360 4.568 1.00 0.81 H new ATOM 0 HB3 SER A 70 9.154 -4.810 4.031 1.00 0.81 H new ATOM 0 HG SER A 70 9.978 -5.185 5.957 1.00 1.92 H new ATOM 580 N ASN A 71 7.846 -2.632 7.286 1.00 0.54 N ATOM 581 CA ASN A 71 7.206 -2.253 8.538 1.00 0.53 C ATOM 582 C ASN A 71 6.726 -0.809 8.513 1.00 0.50 C ATOM 583 O ASN A 71 5.669 -0.546 9.059 1.00 0.49 O ATOM 584 CB ASN A 71 8.201 -2.465 9.685 1.00 0.68 C ATOM 585 CG ASN A 71 7.507 -2.650 11.023 1.00 1.68 C ATOM 586 OD1 ASN A 71 6.612 -3.471 11.175 1.00 2.84 O ATOM 587 ND2 ASN A 71 7.895 -1.928 12.043 1.00 2.23 N ATOM 0 H ASN A 71 8.861 -2.537 7.300 1.00 0.54 H new ATOM 0 HA ASN A 71 6.326 -2.879 8.684 1.00 0.53 H new ATOM 0 HB2 ASN A 71 8.816 -3.340 9.473 1.00 0.68 H new ATOM 0 HB3 ASN A 71 8.874 -1.609 9.742 1.00 0.68 H new ATOM 0 HD21 ASN A 71 7.452 -2.052 12.954 1.00 2.23 H new ATOM 0 HD22 ASN A 71 8.640 -1.241 11.928 1.00 2.23 H new ATOM 594 N ALA A 72 7.440 0.113 7.863 1.00 0.52 N ATOM 595 CA ALA A 72 7.040 1.522 7.777 1.00 0.56 C ATOM 596 C ALA A 72 5.632 1.683 7.199 1.00 0.49 C ATOM 597 O ALA A 72 4.794 2.389 7.761 1.00 0.54 O ATOM 598 CB ALA A 72 8.086 2.292 6.961 1.00 0.65 C ATOM 0 H ALA A 72 8.314 -0.096 7.380 1.00 0.52 H new ATOM 0 HA ALA A 72 6.999 1.939 8.783 1.00 0.56 H new ATOM 0 HB1 ALA A 72 7.795 3.340 6.893 1.00 0.65 H new ATOM 0 HB2 ALA A 72 9.057 2.216 7.450 1.00 0.65 H new ATOM 0 HB3 ALA A 72 8.150 1.868 5.959 1.00 0.65 H new ATOM 604 N VAL A 73 5.320 0.947 6.134 1.00 0.46 N ATOM 605 CA VAL A 73 4.003 0.937 5.533 1.00 0.49 C ATOM 606 C VAL A 73 2.929 0.320 6.428 1.00 0.45 C ATOM 607 O VAL A 73 1.825 0.856 6.526 1.00 0.48 O ATOM 608 CB VAL A 73 4.097 0.246 4.167 1.00 0.56 C ATOM 609 CG1 VAL A 73 4.945 1.073 3.197 1.00 0.64 C ATOM 610 CG2 VAL A 73 4.674 -1.157 4.215 1.00 0.55 C ATOM 0 H VAL A 73 5.988 0.336 5.664 1.00 0.46 H new ATOM 0 HA VAL A 73 3.677 1.968 5.399 1.00 0.49 H new ATOM 0 HB VAL A 73 3.065 0.168 3.826 1.00 0.56 H new ATOM 0 HG11 VAL A 73 4.998 0.564 2.235 1.00 0.64 H new ATOM 0 HG12 VAL A 73 4.491 2.055 3.063 1.00 0.64 H new ATOM 0 HG13 VAL A 73 5.950 1.190 3.601 1.00 0.64 H new ATOM 0 HG21 VAL A 73 4.705 -1.572 3.208 1.00 0.55 H new ATOM 0 HG22 VAL A 73 5.684 -1.121 4.624 1.00 0.55 H new ATOM 0 HG23 VAL A 73 4.048 -1.786 4.848 1.00 0.55 H new ATOM 620 N VAL A 74 3.256 -0.764 7.133 1.00 0.41 N ATOM 621 CA VAL A 74 2.319 -1.488 8.007 1.00 0.39 C ATOM 622 C VAL A 74 2.095 -0.766 9.341 1.00 0.38 C ATOM 623 O VAL A 74 0.964 -0.715 9.819 1.00 0.39 O ATOM 624 CB VAL A 74 2.759 -2.954 8.160 1.00 0.42 C ATOM 625 CG1 VAL A 74 1.867 -3.745 9.116 1.00 0.48 C ATOM 626 CG2 VAL A 74 2.689 -3.645 6.790 1.00 0.51 C ATOM 0 H VAL A 74 4.190 -1.173 7.116 1.00 0.41 H new ATOM 0 HA VAL A 74 1.338 -1.500 7.532 1.00 0.39 H new ATOM 0 HB VAL A 74 3.771 -2.938 8.564 1.00 0.42 H new ATOM 0 HG11 VAL A 74 2.226 -4.772 9.183 1.00 0.48 H new ATOM 0 HG12 VAL A 74 1.895 -3.285 10.104 1.00 0.48 H new ATOM 0 HG13 VAL A 74 0.843 -3.743 8.743 1.00 0.48 H new ATOM 0 HG21 VAL A 74 3.000 -4.685 6.891 1.00 0.51 H new ATOM 0 HG22 VAL A 74 1.666 -3.606 6.415 1.00 0.51 H new ATOM 0 HG23 VAL A 74 3.351 -3.135 6.091 1.00 0.51 H new ATOM 636 N GLN A 75 3.127 -0.117 9.886 1.00 0.37 N ATOM 637 CA GLN A 75 3.055 0.807 11.017 1.00 0.40 C ATOM 638 C GLN A 75 2.149 1.986 10.679 1.00 0.40 C ATOM 639 O GLN A 75 1.216 2.250 11.429 1.00 0.42 O ATOM 640 CB GLN A 75 4.454 1.313 11.416 1.00 0.50 C ATOM 641 CG GLN A 75 5.262 0.286 12.223 1.00 0.55 C ATOM 642 CD GLN A 75 4.727 0.088 13.641 1.00 1.03 C ATOM 643 OE1 GLN A 75 4.585 1.024 14.420 1.00 2.25 O ATOM 644 NE2 GLN A 75 4.397 -1.125 14.024 1.00 0.74 N ATOM 0 H GLN A 75 4.078 -0.227 9.534 1.00 0.37 H new ATOM 0 HA GLN A 75 2.636 0.266 11.865 1.00 0.40 H new ATOM 0 HB2 GLN A 75 5.009 1.575 10.515 1.00 0.50 H new ATOM 0 HB3 GLN A 75 4.349 2.226 12.003 1.00 0.50 H new ATOM 0 HG2 GLN A 75 5.251 -0.670 11.699 1.00 0.55 H new ATOM 0 HG3 GLN A 75 6.302 0.609 12.274 1.00 0.55 H new ATOM 0 HE21 GLN A 75 4.511 -1.911 13.384 1.00 0.74 H new ATOM 0 HE22 GLN A 75 4.027 -1.281 14.962 1.00 0.74 H new ATOM 653 N ILE A 76 2.342 2.663 9.540 1.00 0.39 N ATOM 654 CA ILE A 76 1.499 3.825 9.212 1.00 0.39 C ATOM 655 C ILE A 76 0.037 3.389 9.029 1.00 0.43 C ATOM 656 O ILE A 76 -0.862 4.045 9.553 1.00 0.46 O ATOM 657 CB ILE A 76 2.078 4.600 8.004 1.00 0.37 C ATOM 658 CG1 ILE A 76 3.419 5.257 8.401 1.00 0.39 C ATOM 659 CG2 ILE A 76 1.118 5.706 7.518 1.00 0.39 C ATOM 660 CD1 ILE A 76 4.231 5.726 7.192 1.00 0.44 C ATOM 0 H ILE A 76 3.054 2.437 8.845 1.00 0.39 H new ATOM 0 HA ILE A 76 1.505 4.529 10.045 1.00 0.39 H new ATOM 0 HB ILE A 76 2.222 3.883 7.196 1.00 0.37 H new ATOM 0 HG12 ILE A 76 3.222 6.108 9.053 1.00 0.39 H new ATOM 0 HG13 ILE A 76 4.011 4.545 8.976 1.00 0.39 H new ATOM 0 HG21 ILE A 76 1.562 6.226 6.669 1.00 0.39 H new ATOM 0 HG22 ILE A 76 0.171 5.259 7.215 1.00 0.39 H new ATOM 0 HG23 ILE A 76 0.942 6.416 8.326 1.00 0.39 H new ATOM 0 HD11 ILE A 76 5.162 6.179 7.533 1.00 0.44 H new ATOM 0 HD12 ILE A 76 4.455 4.873 6.551 1.00 0.44 H new ATOM 0 HD13 ILE A 76 3.655 6.461 6.629 1.00 0.44 H new ATOM 672 N LEU A 77 -0.215 2.243 8.386 1.00 0.42 N ATOM 673 CA LEU A 77 -1.566 1.681 8.260 1.00 0.44 C ATOM 674 C LEU A 77 -2.212 1.355 9.621 1.00 0.47 C ATOM 675 O LEU A 77 -3.269 1.914 9.929 1.00 0.51 O ATOM 676 CB LEU A 77 -1.530 0.469 7.311 1.00 0.44 C ATOM 677 CG LEU A 77 -1.378 0.860 5.829 1.00 0.45 C ATOM 678 CD1 LEU A 77 -1.067 -0.380 4.992 1.00 0.45 C ATOM 679 CD2 LEU A 77 -2.662 1.485 5.273 1.00 0.51 C ATOM 0 H LEU A 77 0.509 1.680 7.939 1.00 0.42 H new ATOM 0 HA LEU A 77 -2.214 2.442 7.825 1.00 0.44 H new ATOM 0 HB2 LEU A 77 -0.703 -0.181 7.595 1.00 0.44 H new ATOM 0 HB3 LEU A 77 -2.446 -0.108 7.435 1.00 0.44 H new ATOM 0 HG LEU A 77 -0.568 1.587 5.772 1.00 0.45 H new ATOM 0 HD11 LEU A 77 -0.961 -0.095 3.945 1.00 0.45 H new ATOM 0 HD12 LEU A 77 -0.138 -0.831 5.341 1.00 0.45 H new ATOM 0 HD13 LEU A 77 -1.880 -1.099 5.092 1.00 0.45 H new ATOM 0 HD21 LEU A 77 -2.515 1.747 4.225 1.00 0.51 H new ATOM 0 HD22 LEU A 77 -3.480 0.770 5.357 1.00 0.51 H new ATOM 0 HD23 LEU A 77 -2.905 2.383 5.841 1.00 0.51 H new ATOM 691 N ARG A 78 -1.591 0.529 10.478 1.00 0.46 N ATOM 692 CA ARG A 78 -2.141 0.147 11.774 1.00 0.52 C ATOM 693 C ARG A 78 -2.289 1.321 12.746 1.00 0.54 C ATOM 694 O ARG A 78 -3.280 1.363 13.474 1.00 0.65 O ATOM 695 CB ARG A 78 -1.285 -1.009 12.307 1.00 0.57 C ATOM 696 CG ARG A 78 0.053 -0.585 12.931 1.00 0.70 C ATOM 697 CD ARG A 78 0.998 -1.764 13.181 1.00 1.00 C ATOM 698 NE ARG A 78 0.592 -2.611 14.315 1.00 1.41 N ATOM 699 CZ ARG A 78 1.294 -3.612 14.816 1.00 2.13 C ATOM 700 NH1 ARG A 78 2.466 -3.959 14.369 1.00 2.92 N ATOM 701 NH2 ARG A 78 0.815 -4.293 15.805 1.00 3.06 N ATOM 0 H ARG A 78 -0.683 0.107 10.282 1.00 0.46 H new ATOM 0 HA ARG A 78 -3.171 -0.191 11.659 1.00 0.52 H new ATOM 0 HB2 ARG A 78 -1.861 -1.555 13.054 1.00 0.57 H new ATOM 0 HB3 ARG A 78 -1.085 -1.702 11.489 1.00 0.57 H new ATOM 0 HG2 ARG A 78 0.543 0.133 12.273 1.00 0.70 H new ATOM 0 HG3 ARG A 78 -0.138 -0.074 13.874 1.00 0.70 H new ATOM 0 HD2 ARG A 78 1.049 -2.376 12.280 1.00 1.00 H new ATOM 0 HD3 ARG A 78 2.002 -1.382 13.364 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.308 -2.408 14.751 1.00 1.41 H new ATOM 0 HH11 ARG A 78 2.887 -3.449 13.593 1.00 2.92 H new ATOM 0 HH12 ARG A 78 2.963 -4.741 14.795 1.00 2.92 H new ATOM 0 HH21 ARG A 78 -0.098 -4.056 16.193 1.00 3.06 H new ATOM 0 HH22 ARG A 78 1.350 -5.067 16.198 1.00 3.06 H new ATOM 715 N LEU A 79 -1.390 2.313 12.702 1.00 0.49 N ATOM 716 CA LEU A 79 -1.496 3.571 13.446 1.00 0.53 C ATOM 717 C LEU A 79 -2.738 4.368 13.043 1.00 0.55 C ATOM 718 O LEU A 79 -3.420 4.921 13.903 1.00 0.60 O ATOM 719 CB LEU A 79 -0.246 4.418 13.160 1.00 0.53 C ATOM 720 CG LEU A 79 1.012 4.000 13.935 1.00 0.49 C ATOM 721 CD1 LEU A 79 2.198 4.796 13.385 1.00 0.45 C ATOM 722 CD2 LEU A 79 0.874 4.305 15.429 1.00 0.61 C ATOM 0 H LEU A 79 -0.546 2.259 12.131 1.00 0.49 H new ATOM 0 HA LEU A 79 -1.578 3.334 14.507 1.00 0.53 H new ATOM 0 HB2 LEU A 79 -0.030 4.370 12.093 1.00 0.53 H new ATOM 0 HB3 LEU A 79 -0.469 5.459 13.394 1.00 0.53 H new ATOM 0 HG LEU A 79 1.158 2.927 13.814 1.00 0.49 H new ATOM 0 HD11 LEU A 79 3.105 4.515 13.921 1.00 0.45 H new ATOM 0 HD12 LEU A 79 2.322 4.578 12.324 1.00 0.45 H new ATOM 0 HD13 LEU A 79 2.013 5.862 13.517 1.00 0.45 H new ATOM 0 HD21 LEU A 79 1.781 3.997 15.949 1.00 0.61 H new ATOM 0 HD22 LEU A 79 0.721 5.375 15.569 1.00 0.61 H new ATOM 0 HD23 LEU A 79 0.021 3.760 15.834 1.00 0.61 H new ATOM 734 N HIS A 80 -3.070 4.371 11.753 1.00 0.53 N ATOM 735 CA HIS A 80 -4.302 4.949 11.229 1.00 0.55 C ATOM 736 C HIS A 80 -5.554 4.083 11.468 1.00 0.60 C ATOM 737 O HIS A 80 -6.635 4.475 11.041 1.00 0.68 O ATOM 738 CB HIS A 80 -4.090 5.302 9.747 1.00 0.53 C ATOM 739 CG HIS A 80 -3.432 6.647 9.578 1.00 0.51 C ATOM 740 ND1 HIS A 80 -4.025 7.840 9.890 1.00 0.50 N ATOM 741 CD2 HIS A 80 -2.161 6.935 9.154 1.00 0.50 C ATOM 742 CE1 HIS A 80 -3.153 8.823 9.659 1.00 0.48 C ATOM 743 NE2 HIS A 80 -1.991 8.329 9.189 1.00 0.48 N ATOM 0 H HIS A 80 -2.477 3.963 11.030 1.00 0.53 H new ATOM 0 HA HIS A 80 -4.515 5.859 11.790 1.00 0.55 H new ATOM 0 HB2 HIS A 80 -3.475 4.535 9.276 1.00 0.53 H new ATOM 0 HB3 HIS A 80 -5.051 5.301 9.233 1.00 0.53 H new ATOM 0 HD2 HIS A 80 -1.418 6.214 8.846 1.00 0.50 H new ATOM 0 HE1 HIS A 80 -3.351 9.871 9.826 1.00 0.48 H new ATOM 0 HE2 HIS A 80 -1.162 8.857 8.916 1.00 0.48 H new ATOM 751 N GLY A 81 -5.456 2.949 12.172 1.00 0.59 N ATOM 752 CA GLY A 81 -6.587 2.050 12.433 1.00 0.69 C ATOM 753 C GLY A 81 -6.844 1.019 11.327 1.00 0.73 C ATOM 754 O GLY A 81 -7.880 0.346 11.338 1.00 0.92 O ATOM 0 H GLY A 81 -4.579 2.626 12.581 1.00 0.59 H new ATOM 0 HA2 GLY A 81 -6.408 1.523 13.370 1.00 0.69 H new ATOM 0 HA3 GLY A 81 -7.487 2.649 12.571 1.00 0.69 H new ATOM 758 N VAL A 82 -5.928 0.882 10.363 1.00 0.59 N ATOM 759 CA VAL A 82 -6.087 0.037 9.172 1.00 0.57 C ATOM 760 C VAL A 82 -5.212 -1.212 9.271 1.00 0.50 C ATOM 761 O VAL A 82 -3.993 -1.162 9.151 1.00 0.61 O ATOM 762 CB VAL A 82 -5.808 0.828 7.879 1.00 0.56 C ATOM 763 CG1 VAL A 82 -6.183 -0.015 6.654 1.00 0.55 C ATOM 764 CG2 VAL A 82 -6.632 2.120 7.815 1.00 0.64 C ATOM 0 H VAL A 82 -5.032 1.368 10.389 1.00 0.59 H new ATOM 0 HA VAL A 82 -7.126 -0.290 9.128 1.00 0.57 H new ATOM 0 HB VAL A 82 -4.746 1.071 7.881 1.00 0.56 H new ATOM 0 HG11 VAL A 82 -5.982 0.553 5.746 1.00 0.55 H new ATOM 0 HG12 VAL A 82 -5.592 -0.931 6.648 1.00 0.55 H new ATOM 0 HG13 VAL A 82 -7.242 -0.268 6.697 1.00 0.55 H new ATOM 0 HG21 VAL A 82 -6.407 2.649 6.889 1.00 0.64 H new ATOM 0 HG22 VAL A 82 -7.694 1.876 7.845 1.00 0.64 H new ATOM 0 HG23 VAL A 82 -6.381 2.754 8.665 1.00 0.64 H new ATOM 774 N ARG A 83 -5.869 -2.361 9.426 1.00 0.39 N ATOM 775 CA ARG A 83 -5.315 -3.721 9.457 1.00 0.41 C ATOM 776 C ARG A 83 -6.101 -4.657 8.531 1.00 0.48 C ATOM 777 O ARG A 83 -6.050 -5.879 8.606 1.00 0.95 O ATOM 778 CB ARG A 83 -5.206 -4.208 10.898 1.00 0.63 C ATOM 779 CG ARG A 83 -6.445 -3.986 11.764 1.00 0.93 C ATOM 780 CD ARG A 83 -7.600 -4.933 11.437 1.00 1.61 C ATOM 781 NE ARG A 83 -8.616 -4.917 12.499 1.00 2.06 N ATOM 782 CZ ARG A 83 -9.703 -4.179 12.598 1.00 2.99 C ATOM 783 NH1 ARG A 83 -10.044 -3.290 11.716 1.00 3.79 N ATOM 784 NH2 ARG A 83 -10.490 -4.356 13.614 1.00 3.65 N ATOM 0 H ARG A 83 -6.882 -2.369 9.543 1.00 0.39 H new ATOM 0 HA ARG A 83 -4.300 -3.716 9.060 1.00 0.41 H new ATOM 0 HB2 ARG A 83 -4.979 -5.274 10.886 1.00 0.63 H new ATOM 0 HB3 ARG A 83 -4.360 -3.707 11.369 1.00 0.63 H new ATOM 0 HG2 ARG A 83 -6.172 -4.108 12.812 1.00 0.93 H new ATOM 0 HG3 ARG A 83 -6.784 -2.957 11.641 1.00 0.93 H new ATOM 0 HD2 ARG A 83 -8.055 -4.643 10.490 1.00 1.61 H new ATOM 0 HD3 ARG A 83 -7.219 -5.946 11.310 1.00 1.61 H new ATOM 0 HE ARG A 83 -8.457 -5.569 13.267 1.00 2.06 H new ATOM 0 HH11 ARG A 83 -9.458 -3.135 10.895 1.00 3.79 H new ATOM 0 HH12 ARG A 83 -10.898 -2.746 11.844 1.00 3.79 H new ATOM 0 HH21 ARG A 83 -10.263 -5.057 14.319 1.00 3.65 H new ATOM 0 HH22 ARG A 83 -11.336 -3.794 13.708 1.00 3.65 H new ATOM 798 N ASP A 84 -6.895 -4.003 7.694 1.00 0.53 N ATOM 799 CA ASP A 84 -7.929 -4.523 6.808 1.00 0.64 C ATOM 800 C ASP A 84 -7.461 -4.608 5.349 1.00 0.43 C ATOM 801 O ASP A 84 -8.251 -4.833 4.430 1.00 0.51 O ATOM 802 CB ASP A 84 -9.191 -3.654 6.959 1.00 1.13 C ATOM 803 CG ASP A 84 -9.630 -3.460 8.415 1.00 2.30 C ATOM 804 OD1 ASP A 84 -8.989 -2.666 9.151 1.00 3.82 O ATOM 805 OD2 ASP A 84 -10.627 -4.092 8.837 1.00 2.87 O ATOM 0 H ASP A 84 -6.823 -2.989 7.610 1.00 0.53 H new ATOM 0 HA ASP A 84 -8.160 -5.548 7.098 1.00 0.64 H new ATOM 0 HB2 ASP A 84 -9.006 -2.678 6.511 1.00 1.13 H new ATOM 0 HB3 ASP A 84 -10.007 -4.112 6.400 1.00 1.13 H new ATOM 810 N TYR A 85 -6.155 -4.429 5.143 1.00 0.35 N ATOM 811 CA TYR A 85 -5.508 -4.612 3.858 1.00 0.36 C ATOM 812 C TYR A 85 -5.392 -6.092 3.479 1.00 0.40 C ATOM 813 O TYR A 85 -5.307 -6.974 4.335 1.00 0.46 O ATOM 814 CB TYR A 85 -4.086 -4.001 3.834 1.00 0.36 C ATOM 815 CG TYR A 85 -3.191 -4.416 4.976 1.00 0.37 C ATOM 816 CD1 TYR A 85 -2.517 -5.638 4.857 1.00 2.02 C ATOM 817 CD2 TYR A 85 -3.081 -3.646 6.152 1.00 1.75 C ATOM 818 CE1 TYR A 85 -1.800 -6.150 5.952 1.00 2.03 C ATOM 819 CE2 TYR A 85 -2.334 -4.141 7.240 1.00 1.77 C ATOM 820 CZ TYR A 85 -1.721 -5.410 7.149 1.00 0.42 C ATOM 821 OH TYR A 85 -1.106 -5.959 8.228 1.00 0.48 O ATOM 0 H TYR A 85 -5.512 -4.148 5.883 1.00 0.35 H new ATOM 0 HA TYR A 85 -6.143 -4.097 3.137 1.00 0.36 H new ATOM 0 HB2 TYR A 85 -3.604 -4.278 2.896 1.00 0.36 H new ATOM 0 HB3 TYR A 85 -4.174 -2.915 3.838 1.00 0.36 H new ATOM 0 HD1 TYR A 85 -2.548 -6.185 3.926 1.00 2.02 H new ATOM 0 HD2 TYR A 85 -3.566 -2.683 6.219 1.00 1.75 H new ATOM 0 HE1 TYR A 85 -1.310 -7.109 5.876 1.00 2.03 H new ATOM 0 HE2 TYR A 85 -2.231 -3.552 8.140 1.00 1.77 H new ATOM 0 HH TYR A 85 -1.131 -5.326 8.976 1.00 0.48 H new ATOM 831 N ALA A 86 -5.242 -6.322 2.178 1.00 0.45 N ATOM 832 CA ALA A 86 -4.627 -7.529 1.638 1.00 0.46 C ATOM 833 C ALA A 86 -3.161 -7.203 1.329 1.00 0.44 C ATOM 834 O ALA A 86 -2.891 -6.291 0.542 1.00 0.45 O ATOM 835 CB ALA A 86 -5.424 -7.987 0.411 1.00 0.53 C ATOM 0 H ALA A 86 -5.549 -5.666 1.460 1.00 0.45 H new ATOM 0 HA ALA A 86 -4.643 -8.359 2.345 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -4.972 -8.889 -0.000 1.00 0.53 H new ATOM 0 HB2 ALA A 86 -6.453 -8.197 0.703 1.00 0.53 H new ATOM 0 HB3 ALA A 86 -5.415 -7.200 -0.343 1.00 0.53 H new ATOM 841 N ALA A 87 -2.217 -7.874 1.997 1.00 0.44 N ATOM 842 CA ALA A 87 -0.793 -7.632 1.787 1.00 0.42 C ATOM 843 C ALA A 87 -0.290 -8.569 0.664 1.00 0.39 C ATOM 844 O ALA A 87 -0.011 -9.745 0.911 1.00 0.43 O ATOM 845 CB ALA A 87 -0.008 -7.889 3.089 1.00 0.49 C ATOM 0 H ALA A 87 -2.420 -8.593 2.692 1.00 0.44 H new ATOM 0 HA ALA A 87 -0.637 -6.593 1.497 1.00 0.42 H new ATOM 0 HB1 ALA A 87 1.052 -7.705 2.917 1.00 0.49 H new ATOM 0 HB2 ALA A 87 -0.370 -7.221 3.870 1.00 0.49 H new ATOM 0 HB3 ALA A 87 -0.150 -8.924 3.401 1.00 0.49 H new ATOM 851 N TYR A 88 -0.165 -8.070 -0.564 1.00 0.40 N ATOM 852 CA TYR A 88 0.333 -8.820 -1.715 1.00 0.45 C ATOM 853 C TYR A 88 1.830 -9.078 -1.633 1.00 0.52 C ATOM 854 O TYR A 88 2.658 -8.169 -1.476 1.00 0.54 O ATOM 855 CB TYR A 88 -0.029 -8.161 -3.051 1.00 0.47 C ATOM 856 CG TYR A 88 -1.454 -8.462 -3.450 1.00 0.58 C ATOM 857 CD1 TYR A 88 -2.529 -7.864 -2.763 1.00 1.77 C ATOM 858 CD2 TYR A 88 -1.702 -9.405 -4.463 1.00 1.97 C ATOM 859 CE1 TYR A 88 -3.851 -8.249 -3.056 1.00 1.82 C ATOM 860 CE2 TYR A 88 -3.021 -9.776 -4.770 1.00 2.09 C ATOM 861 CZ TYR A 88 -4.092 -9.230 -4.035 1.00 0.99 C ATOM 862 OH TYR A 88 -5.357 -9.663 -4.248 1.00 1.25 O ATOM 0 H TYR A 88 -0.414 -7.107 -0.792 1.00 0.40 H new ATOM 0 HA TYR A 88 -0.174 -9.784 -1.678 1.00 0.45 H new ATOM 0 HB2 TYR A 88 0.108 -7.082 -2.974 1.00 0.47 H new ATOM 0 HB3 TYR A 88 0.649 -8.514 -3.828 1.00 0.47 H new ATOM 0 HD1 TYR A 88 -2.339 -7.111 -2.012 1.00 1.77 H new ATOM 0 HD2 TYR A 88 -0.878 -9.844 -5.005 1.00 1.97 H new ATOM 0 HE1 TYR A 88 -4.677 -7.793 -2.531 1.00 1.82 H new ATOM 0 HE2 TYR A 88 -3.214 -10.478 -5.568 1.00 2.09 H new ATOM 0 HH TYR A 88 -5.356 -10.340 -4.957 1.00 1.25 H new ATOM 872 N ASN A 89 2.145 -10.359 -1.806 1.00 0.75 N ATOM 873 CA ASN A 89 3.470 -10.927 -1.668 1.00 0.78 C ATOM 874 C ASN A 89 4.128 -11.050 -3.032 1.00 0.62 C ATOM 875 O ASN A 89 3.972 -12.064 -3.723 1.00 0.65 O ATOM 876 CB ASN A 89 3.317 -12.280 -0.951 1.00 1.01 C ATOM 877 CG ASN A 89 2.744 -12.094 0.431 1.00 2.82 C ATOM 878 OD1 ASN A 89 1.650 -12.519 0.769 1.00 4.90 O ATOM 879 ND2 ASN A 89 3.493 -11.427 1.264 1.00 2.65 N ATOM 0 H ASN A 89 1.445 -11.057 -2.058 1.00 0.75 H new ATOM 0 HA ASN A 89 4.124 -10.288 -1.075 1.00 0.78 H new ATOM 0 HB2 ASN A 89 2.668 -12.934 -1.533 1.00 1.01 H new ATOM 0 HB3 ASN A 89 4.287 -12.772 -0.884 1.00 1.01 H new ATOM 0 HD21 ASN A 89 3.168 -11.253 2.215 1.00 2.65 H new ATOM 0 HD22 ASN A 89 4.404 -11.079 0.965 1.00 2.65 H new ATOM 886 N VAL A 90 4.910 -10.038 -3.419 1.00 0.56 N ATOM 887 CA VAL A 90 5.549 -10.083 -4.753 1.00 0.57 C ATOM 888 C VAL A 90 6.707 -11.105 -4.810 1.00 0.76 C ATOM 889 O VAL A 90 7.217 -11.425 -5.882 1.00 1.03 O ATOM 890 CB VAL A 90 5.936 -8.692 -5.289 1.00 0.60 C ATOM 891 CG1 VAL A 90 4.754 -7.719 -5.185 1.00 0.53 C ATOM 892 CG2 VAL A 90 7.137 -8.075 -4.579 1.00 0.78 C ATOM 0 H VAL A 90 5.115 -9.209 -2.862 1.00 0.56 H new ATOM 0 HA VAL A 90 4.788 -10.447 -5.444 1.00 0.57 H new ATOM 0 HB VAL A 90 6.213 -8.852 -6.331 1.00 0.60 H new ATOM 0 HG11 VAL A 90 5.051 -6.743 -5.569 1.00 0.53 H new ATOM 0 HG12 VAL A 90 3.917 -8.100 -5.770 1.00 0.53 H new ATOM 0 HG13 VAL A 90 4.453 -7.622 -4.142 1.00 0.53 H new ATOM 0 HG21 VAL A 90 7.351 -7.097 -5.009 1.00 0.78 H new ATOM 0 HG22 VAL A 90 6.915 -7.964 -3.518 1.00 0.78 H new ATOM 0 HG23 VAL A 90 8.005 -8.723 -4.702 1.00 0.78 H new ATOM 902 N LEU A 91 7.068 -11.678 -3.653 1.00 0.75 N ATOM 903 CA LEU A 91 7.935 -12.853 -3.484 1.00 1.07 C ATOM 904 C LEU A 91 7.410 -14.113 -4.177 1.00 0.89 C ATOM 905 O LEU A 91 8.195 -14.923 -4.667 1.00 0.99 O ATOM 906 CB LEU A 91 8.076 -13.140 -1.970 1.00 1.51 C ATOM 907 CG LEU A 91 8.957 -12.119 -1.249 1.00 1.59 C ATOM 908 CD1 LEU A 91 9.163 -12.541 0.204 1.00 1.84 C ATOM 909 CD2 LEU A 91 10.340 -11.920 -1.874 1.00 1.88 C ATOM 0 H LEU A 91 6.744 -11.312 -2.758 1.00 0.75 H new ATOM 0 HA LEU A 91 8.891 -12.615 -3.951 1.00 1.07 H new ATOM 0 HB2 LEU A 91 7.086 -13.145 -1.513 1.00 1.51 H new ATOM 0 HB3 LEU A 91 8.496 -14.136 -1.832 1.00 1.51 H new ATOM 0 HG LEU A 91 8.420 -11.174 -1.332 1.00 1.59 H new ATOM 0 HD11 LEU A 91 9.792 -11.808 0.710 1.00 1.84 H new ATOM 0 HD12 LEU A 91 8.197 -12.599 0.706 1.00 1.84 H new ATOM 0 HD13 LEU A 91 9.647 -13.517 0.234 1.00 1.84 H new ATOM 0 HD21 LEU A 91 10.896 -11.180 -1.299 1.00 1.88 H new ATOM 0 HD22 LEU A 91 10.882 -12.866 -1.868 1.00 1.88 H new ATOM 0 HD23 LEU A 91 10.229 -11.573 -2.901 1.00 1.88 H new ATOM 921 N ASP A 92 6.089 -14.270 -4.223 1.00 0.76 N ATOM 922 CA ASP A 92 5.454 -15.446 -4.830 1.00 0.81 C ATOM 923 C ASP A 92 5.355 -15.339 -6.361 1.00 0.67 C ATOM 924 O ASP A 92 5.534 -16.330 -7.067 1.00 0.89 O ATOM 925 CB ASP A 92 4.079 -15.679 -4.192 1.00 1.07 C ATOM 926 CG ASP A 92 3.777 -17.165 -3.959 1.00 1.27 C ATOM 927 OD1 ASP A 92 4.447 -17.777 -3.095 1.00 1.79 O ATOM 928 OD2 ASP A 92 2.856 -17.728 -4.603 1.00 2.24 O ATOM 0 H ASP A 92 5.428 -13.592 -3.844 1.00 0.76 H new ATOM 0 HA ASP A 92 6.089 -16.309 -4.631 1.00 0.81 H new ATOM 0 HB2 ASP A 92 4.030 -15.149 -3.241 1.00 1.07 H new ATOM 0 HB3 ASP A 92 3.308 -15.252 -4.834 1.00 1.07 H new ATOM 933 N ASP A 93 5.057 -14.141 -6.875 1.00 0.56 N ATOM 934 CA ASP A 93 4.579 -13.916 -8.240 1.00 0.74 C ATOM 935 C ASP A 93 5.410 -12.878 -9.033 1.00 0.77 C ATOM 936 O ASP A 93 5.272 -11.666 -8.808 1.00 0.72 O ATOM 937 CB ASP A 93 3.122 -13.463 -8.140 1.00 0.86 C ATOM 938 CG ASP A 93 2.159 -14.615 -7.891 1.00 0.97 C ATOM 939 OD1 ASP A 93 2.112 -15.545 -8.732 1.00 1.62 O ATOM 940 OD2 ASP A 93 1.413 -14.573 -6.884 1.00 2.35 O ATOM 0 H ASP A 93 5.145 -13.279 -6.337 1.00 0.56 H new ATOM 0 HA ASP A 93 4.682 -14.848 -8.797 1.00 0.74 H new ATOM 0 HB2 ASP A 93 3.027 -12.736 -7.333 1.00 0.86 H new ATOM 0 HB3 ASP A 93 2.841 -12.954 -9.062 1.00 0.86 H new ATOM 945 N PRO A 94 6.220 -13.311 -10.021 1.00 0.86 N ATOM 946 CA PRO A 94 7.019 -12.401 -10.843 1.00 0.87 C ATOM 947 C PRO A 94 6.176 -11.489 -11.743 1.00 0.87 C ATOM 948 O PRO A 94 6.593 -10.364 -12.020 1.00 0.87 O ATOM 949 CB PRO A 94 7.940 -13.301 -11.661 1.00 1.03 C ATOM 950 CG PRO A 94 7.193 -14.627 -11.759 1.00 1.03 C ATOM 951 CD PRO A 94 6.457 -14.695 -10.425 1.00 0.94 C ATOM 0 HA PRO A 94 7.573 -11.706 -10.211 1.00 0.87 H new ATOM 0 HB2 PRO A 94 8.132 -12.880 -12.648 1.00 1.03 H new ATOM 0 HB3 PRO A 94 8.907 -13.426 -11.174 1.00 1.03 H new ATOM 0 HG2 PRO A 94 6.504 -14.642 -12.603 1.00 1.03 H new ATOM 0 HG3 PRO A 94 7.875 -15.467 -11.889 1.00 1.03 H new ATOM 0 HD2 PRO A 94 5.517 -15.238 -10.526 1.00 0.94 H new ATOM 0 HD3 PRO A 94 7.051 -15.222 -9.679 1.00 0.94 H new ATOM 959 N GLU A 95 4.975 -11.923 -12.139 1.00 0.92 N ATOM 960 CA GLU A 95 3.980 -11.127 -12.843 1.00 0.96 C ATOM 961 C GLU A 95 3.508 -9.922 -12.025 1.00 0.89 C ATOM 962 O GLU A 95 3.462 -8.800 -12.528 1.00 0.90 O ATOM 963 CB GLU A 95 2.768 -12.015 -13.094 1.00 1.11 C ATOM 964 CG GLU A 95 2.972 -13.074 -14.182 1.00 1.46 C ATOM 965 CD GLU A 95 3.795 -14.281 -13.725 1.00 1.70 C ATOM 966 OE1 GLU A 95 3.710 -14.672 -12.534 1.00 3.03 O ATOM 967 OE2 GLU A 95 4.530 -14.846 -14.570 1.00 2.68 O ATOM 0 H GLU A 95 4.663 -12.879 -11.968 1.00 0.92 H new ATOM 0 HA GLU A 95 4.433 -10.758 -13.763 1.00 0.96 H new ATOM 0 HB2 GLU A 95 2.501 -12.515 -12.163 1.00 1.11 H new ATOM 0 HB3 GLU A 95 1.923 -11.385 -13.371 1.00 1.11 H new ATOM 0 HG2 GLU A 95 1.997 -13.420 -14.526 1.00 1.46 H new ATOM 0 HG3 GLU A 95 3.466 -12.612 -15.037 1.00 1.46 H new ATOM 974 N LEU A 96 3.187 -10.159 -10.749 1.00 0.85 N ATOM 975 CA LEU A 96 2.801 -9.119 -9.798 1.00 0.81 C ATOM 976 C LEU A 96 3.972 -8.161 -9.566 1.00 0.79 C ATOM 977 O LEU A 96 3.792 -6.947 -9.569 1.00 0.81 O ATOM 978 CB LEU A 96 2.377 -9.760 -8.460 1.00 0.83 C ATOM 979 CG LEU A 96 0.859 -9.902 -8.258 1.00 1.17 C ATOM 980 CD1 LEU A 96 0.586 -10.951 -7.184 1.00 1.30 C ATOM 981 CD2 LEU A 96 0.244 -8.588 -7.771 1.00 1.24 C ATOM 0 H LEU A 96 3.189 -11.095 -10.344 1.00 0.85 H new ATOM 0 HA LEU A 96 1.960 -8.560 -10.208 1.00 0.81 H new ATOM 0 HB2 LEU A 96 2.832 -10.748 -8.388 1.00 0.83 H new ATOM 0 HB3 LEU A 96 2.782 -9.162 -7.644 1.00 0.83 H new ATOM 0 HG LEU A 96 0.422 -10.185 -9.216 1.00 1.17 H new ATOM 0 HD11 LEU A 96 -0.490 -11.053 -7.040 1.00 1.30 H new ATOM 0 HD12 LEU A 96 1.002 -11.909 -7.497 1.00 1.30 H new ATOM 0 HD13 LEU A 96 1.050 -10.642 -6.247 1.00 1.30 H new ATOM 0 HD21 LEU A 96 -0.830 -8.717 -7.636 1.00 1.24 H new ATOM 0 HD22 LEU A 96 0.697 -8.304 -6.821 1.00 1.24 H new ATOM 0 HD23 LEU A 96 0.426 -7.806 -8.508 1.00 1.24 H new ATOM 993 N ARG A 97 5.181 -8.713 -9.403 1.00 0.81 N ATOM 994 CA ARG A 97 6.425 -7.969 -9.160 1.00 0.86 C ATOM 995 C ARG A 97 6.746 -7.006 -10.305 1.00 0.85 C ATOM 996 O ARG A 97 6.919 -5.810 -10.085 1.00 0.85 O ATOM 997 CB ARG A 97 7.534 -9.001 -8.938 1.00 0.92 C ATOM 998 CG ARG A 97 8.785 -8.415 -8.276 1.00 1.04 C ATOM 999 CD ARG A 97 9.891 -9.471 -8.229 1.00 1.03 C ATOM 1000 NE ARG A 97 9.448 -10.711 -7.567 1.00 2.69 N ATOM 1001 CZ ARG A 97 9.944 -11.919 -7.723 1.00 3.02 C ATOM 1002 NH1 ARG A 97 11.008 -12.175 -8.422 1.00 1.72 N ATOM 1003 NH2 ARG A 97 9.353 -12.923 -7.154 1.00 5.11 N ATOM 0 H ARG A 97 5.326 -9.722 -9.438 1.00 0.81 H new ATOM 0 HA ARG A 97 6.324 -7.337 -8.278 1.00 0.86 H new ATOM 0 HB2 ARG A 97 7.149 -9.810 -8.318 1.00 0.92 H new ATOM 0 HB3 ARG A 97 7.810 -9.439 -9.897 1.00 0.92 H new ATOM 0 HG2 ARG A 97 9.127 -7.542 -8.832 1.00 1.04 H new ATOM 0 HG3 ARG A 97 8.549 -8.077 -7.267 1.00 1.04 H new ATOM 0 HD2 ARG A 97 10.217 -9.699 -9.244 1.00 1.03 H new ATOM 0 HD3 ARG A 97 10.754 -9.067 -7.700 1.00 1.03 H new ATOM 0 HE ARG A 97 8.669 -10.622 -6.914 1.00 2.69 H new ATOM 0 HH11 ARG A 97 11.507 -11.417 -8.887 1.00 1.72 H new ATOM 0 HH12 ARG A 97 11.344 -13.134 -8.506 1.00 1.72 H new ATOM 0 HH21 ARG A 97 8.514 -12.770 -6.594 1.00 5.11 H new ATOM 0 HH22 ARG A 97 9.727 -13.865 -7.267 1.00 5.11 H new ATOM 1017 N GLN A 98 6.747 -7.509 -11.535 1.00 0.87 N ATOM 1018 CA GLN A 98 6.990 -6.713 -12.737 1.00 0.89 C ATOM 1019 C GLN A 98 5.871 -5.707 -12.983 1.00 0.92 C ATOM 1020 O GLN A 98 6.115 -4.512 -13.190 1.00 1.03 O ATOM 1021 CB GLN A 98 7.122 -7.698 -13.910 1.00 0.92 C ATOM 1022 CG GLN A 98 7.570 -7.082 -15.239 1.00 1.19 C ATOM 1023 CD GLN A 98 7.457 -8.119 -16.352 1.00 1.47 C ATOM 1024 OE1 GLN A 98 8.249 -9.045 -16.472 1.00 2.04 O ATOM 1025 NE2 GLN A 98 6.427 -8.059 -17.164 1.00 1.95 N ATOM 0 H GLN A 98 6.577 -8.496 -11.730 1.00 0.87 H new ATOM 0 HA GLN A 98 7.901 -6.125 -12.623 1.00 0.89 H new ATOM 0 HB2 GLN A 98 7.834 -8.475 -13.631 1.00 0.92 H new ATOM 0 HB3 GLN A 98 6.160 -8.187 -14.062 1.00 0.92 H new ATOM 0 HG2 GLN A 98 6.954 -6.214 -15.474 1.00 1.19 H new ATOM 0 HG3 GLN A 98 8.599 -6.731 -15.159 1.00 1.19 H new ATOM 0 HE21 GLN A 98 5.756 -7.296 -17.081 1.00 1.95 H new ATOM 0 HE22 GLN A 98 6.298 -8.776 -17.878 1.00 1.95 H new ATOM 1034 N GLY A 99 4.638 -6.201 -12.868 1.00 0.89 N ATOM 1035 CA GLY A 99 3.436 -5.396 -13.004 1.00 0.92 C ATOM 1036 C GLY A 99 3.472 -4.187 -12.074 1.00 0.85 C ATOM 1037 O GLY A 99 3.211 -3.077 -12.534 1.00 0.92 O ATOM 0 H GLY A 99 4.450 -7.185 -12.675 1.00 0.89 H new ATOM 0 HA2 GLY A 99 3.335 -5.061 -14.036 1.00 0.92 H new ATOM 0 HA3 GLY A 99 2.560 -6.005 -12.779 1.00 0.92 H new ATOM 1041 N ILE A 100 3.875 -4.367 -10.809 1.00 0.78 N ATOM 1042 CA ILE A 100 3.848 -3.310 -9.799 1.00 0.82 C ATOM 1043 C ILE A 100 5.060 -2.380 -9.882 1.00 0.96 C ATOM 1044 O ILE A 100 4.896 -1.180 -9.653 1.00 1.10 O ATOM 1045 CB ILE A 100 3.599 -3.906 -8.414 1.00 0.80 C ATOM 1046 CG1 ILE A 100 2.876 -2.906 -7.512 1.00 0.86 C ATOM 1047 CG2 ILE A 100 4.865 -4.399 -7.695 1.00 0.85 C ATOM 1048 CD1 ILE A 100 1.496 -2.401 -7.957 1.00 0.91 C ATOM 0 H ILE A 100 4.230 -5.257 -10.459 1.00 0.78 H new ATOM 0 HA ILE A 100 3.005 -2.652 -10.009 1.00 0.82 H new ATOM 0 HB ILE A 100 2.977 -4.782 -8.598 1.00 0.80 H new ATOM 0 HG12 ILE A 100 2.763 -3.364 -6.529 1.00 0.86 H new ATOM 0 HG13 ILE A 100 3.525 -2.039 -7.387 1.00 0.86 H new ATOM 0 HG21 ILE A 100 4.595 -4.806 -6.721 1.00 0.85 H new ATOM 0 HG22 ILE A 100 5.344 -5.175 -8.292 1.00 0.85 H new ATOM 0 HG23 ILE A 100 5.555 -3.566 -7.562 1.00 0.85 H new ATOM 0 HD11 ILE A 100 1.109 -1.700 -7.218 1.00 0.91 H new ATOM 0 HD12 ILE A 100 1.585 -1.900 -8.921 1.00 0.91 H new ATOM 0 HD13 ILE A 100 0.812 -3.245 -8.049 1.00 0.91 H new ATOM 1060 N LYS A 101 6.236 -2.895 -10.279 1.00 0.99 N ATOM 1061 CA LYS A 101 7.435 -2.087 -10.572 1.00 1.16 C ATOM 1062 C LYS A 101 7.210 -1.118 -11.729 1.00 1.26 C ATOM 1063 O LYS A 101 7.640 0.033 -11.628 1.00 1.47 O ATOM 1064 CB LYS A 101 8.635 -3.005 -10.861 1.00 1.19 C ATOM 1065 CG LYS A 101 9.184 -3.613 -9.554 1.00 1.22 C ATOM 1066 CD LYS A 101 10.190 -4.753 -9.761 1.00 1.31 C ATOM 1067 CE LYS A 101 11.421 -4.314 -10.559 1.00 1.38 C ATOM 1068 NZ LYS A 101 12.456 -5.373 -10.572 1.00 1.61 N ATOM 0 H LYS A 101 6.384 -3.896 -10.407 1.00 0.99 H new ATOM 0 HA LYS A 101 7.648 -1.485 -9.689 1.00 1.16 H new ATOM 0 HB2 LYS A 101 8.334 -3.802 -11.540 1.00 1.19 H new ATOM 0 HB3 LYS A 101 9.420 -2.439 -11.362 1.00 1.19 H new ATOM 0 HG2 LYS A 101 9.661 -2.824 -8.973 1.00 1.22 H new ATOM 0 HG3 LYS A 101 8.348 -3.985 -8.961 1.00 1.22 H new ATOM 0 HD2 LYS A 101 10.508 -5.133 -8.790 1.00 1.31 H new ATOM 0 HD3 LYS A 101 9.699 -5.576 -10.281 1.00 1.31 H new ATOM 0 HE2 LYS A 101 11.129 -4.075 -11.581 1.00 1.38 H new ATOM 0 HE3 LYS A 101 11.834 -3.404 -10.124 1.00 1.38 H new ATOM 0 HZ1 LYS A 101 13.278 -5.048 -11.120 1.00 1.61 H new ATOM 0 HZ2 LYS A 101 12.750 -5.583 -9.597 1.00 1.61 H new ATOM 0 HZ3 LYS A 101 12.067 -6.233 -11.009 1.00 1.61 H new ATOM 1082 N ASP A 102 6.492 -1.529 -12.780 1.00 1.19 N ATOM 1083 CA ASP A 102 6.095 -0.594 -13.843 1.00 1.37 C ATOM 1084 C ASP A 102 4.983 0.366 -13.384 1.00 1.36 C ATOM 1085 O ASP A 102 5.131 1.588 -13.470 1.00 1.49 O ATOM 1086 CB ASP A 102 5.693 -1.360 -15.110 1.00 1.46 C ATOM 1087 CG ASP A 102 5.335 -0.384 -16.242 1.00 1.82 C ATOM 1088 OD1 ASP A 102 4.151 0.018 -16.350 1.00 2.50 O ATOM 1089 OD2 ASP A 102 6.243 0.075 -16.977 1.00 2.42 O ATOM 0 H ASP A 102 6.177 -2.489 -12.919 1.00 1.19 H new ATOM 0 HA ASP A 102 6.960 0.025 -14.080 1.00 1.37 H new ATOM 0 HB2 ASP A 102 6.512 -2.007 -15.426 1.00 1.46 H new ATOM 0 HB3 ASP A 102 4.841 -2.006 -14.896 1.00 1.46 H new ATOM 1094 N TYR A 103 3.878 -0.163 -12.846 1.00 1.22 N ATOM 1095 CA TYR A 103 2.697 0.629 -12.464 1.00 1.23 C ATOM 1096 C TYR A 103 3.038 1.724 -11.439 1.00 1.27 C ATOM 1097 O TYR A 103 2.538 2.851 -11.516 1.00 1.41 O ATOM 1098 CB TYR A 103 1.653 -0.347 -11.899 1.00 1.13 C ATOM 1099 CG TYR A 103 0.197 0.037 -12.017 1.00 0.86 C ATOM 1100 CD1 TYR A 103 -0.308 1.188 -11.388 1.00 2.32 C ATOM 1101 CD2 TYR A 103 -0.675 -0.835 -12.697 1.00 1.63 C ATOM 1102 CE1 TYR A 103 -1.687 1.478 -11.452 1.00 2.14 C ATOM 1103 CE2 TYR A 103 -2.054 -0.577 -12.718 1.00 1.84 C ATOM 1104 CZ TYR A 103 -2.563 0.587 -12.108 1.00 0.80 C ATOM 1105 OH TYR A 103 -3.894 0.837 -12.187 1.00 0.98 O ATOM 0 H TYR A 103 3.775 -1.161 -12.661 1.00 1.22 H new ATOM 0 HA TYR A 103 2.308 1.150 -13.339 1.00 1.23 H new ATOM 0 HB2 TYR A 103 1.788 -1.307 -12.396 1.00 1.13 H new ATOM 0 HB3 TYR A 103 1.875 -0.501 -10.843 1.00 1.13 H new ATOM 0 HD1 TYR A 103 0.359 1.850 -10.856 1.00 2.32 H new ATOM 0 HD2 TYR A 103 -0.282 -1.704 -13.203 1.00 1.63 H new ATOM 0 HE1 TYR A 103 -2.072 2.380 -11.000 1.00 2.14 H new ATOM 0 HE2 TYR A 103 -2.726 -1.271 -13.202 1.00 1.84 H new ATOM 0 HH TYR A 103 -4.335 0.112 -12.677 1.00 0.98 H new ATOM 1115 N SER A 104 3.934 1.402 -10.507 1.00 1.18 N ATOM 1116 CA SER A 104 4.408 2.279 -9.427 1.00 1.29 C ATOM 1117 C SER A 104 5.748 2.960 -9.739 1.00 1.51 C ATOM 1118 O SER A 104 6.315 3.628 -8.874 1.00 1.71 O ATOM 1119 CB SER A 104 4.512 1.497 -8.117 1.00 1.22 C ATOM 1120 OG SER A 104 3.454 0.561 -7.978 1.00 2.06 O ATOM 0 H SER A 104 4.372 0.481 -10.479 1.00 1.18 H new ATOM 0 HA SER A 104 3.668 3.074 -9.330 1.00 1.29 H new ATOM 0 HB2 SER A 104 5.468 0.974 -8.081 1.00 1.22 H new ATOM 0 HB3 SER A 104 4.496 2.191 -7.277 1.00 1.22 H new ATOM 0 HG SER A 104 3.638 -0.226 -8.532 1.00 2.06 H new ATOM 1126 N ASN A 105 6.253 2.778 -10.965 1.00 1.54 N ATOM 1127 CA ASN A 105 7.420 3.454 -11.546 1.00 1.74 C ATOM 1128 C ASN A 105 8.749 3.392 -10.744 1.00 1.68 C ATOM 1129 O ASN A 105 9.612 4.254 -10.936 1.00 1.90 O ATOM 1130 CB ASN A 105 6.993 4.883 -11.956 1.00 2.00 C ATOM 1131 CG ASN A 105 7.590 5.332 -13.269 1.00 2.16 C ATOM 1132 OD1 ASN A 105 6.914 5.396 -14.286 1.00 2.46 O ATOM 1133 ND2 ASN A 105 8.853 5.654 -13.290 1.00 2.08 N ATOM 0 H ASN A 105 5.833 2.116 -11.617 1.00 1.54 H new ATOM 0 HA ASN A 105 7.712 2.879 -12.424 1.00 1.74 H new ATOM 0 HB2 ASN A 105 5.906 4.924 -12.026 1.00 2.00 H new ATOM 0 HB3 ASN A 105 7.288 5.582 -11.173 1.00 2.00 H new ATOM 0 HD21 ASN A 105 9.286 5.963 -14.160 1.00 2.08 H new ATOM 0 HD22 ASN A 105 9.408 5.597 -12.436 1.00 2.08 H new ATOM 1140 N TRP A 106 8.946 2.402 -9.861 1.00 1.42 N ATOM 1141 CA TRP A 106 10.208 2.202 -9.113 1.00 1.19 C ATOM 1142 C TRP A 106 10.833 0.821 -9.328 1.00 0.95 C ATOM 1143 O TRP A 106 10.108 -0.172 -9.403 1.00 0.89 O ATOM 1144 CB TRP A 106 10.057 2.411 -7.592 1.00 1.33 C ATOM 1145 CG TRP A 106 10.753 3.627 -7.051 1.00 1.40 C ATOM 1146 CD1 TRP A 106 11.897 3.630 -6.326 1.00 1.32 C ATOM 1147 CD2 TRP A 106 10.363 5.032 -7.165 1.00 1.72 C ATOM 1148 NE1 TRP A 106 12.218 4.920 -5.955 1.00 1.47 N ATOM 1149 CE2 TRP A 106 11.298 5.825 -6.431 1.00 1.77 C ATOM 1150 CE3 TRP A 106 9.318 5.721 -7.816 1.00 2.09 C ATOM 1151 CZ2 TRP A 106 11.188 7.220 -6.327 1.00 2.16 C ATOM 1152 CZ3 TRP A 106 9.206 7.123 -7.734 1.00 2.51 C ATOM 1153 CH2 TRP A 106 10.135 7.874 -6.990 1.00 2.55 C ATOM 0 H TRP A 106 8.231 1.709 -9.640 1.00 1.42 H new ATOM 0 HA TRP A 106 10.865 2.968 -9.526 1.00 1.19 H new ATOM 0 HB2 TRP A 106 8.996 2.480 -7.353 1.00 1.33 H new ATOM 0 HB3 TRP A 106 10.443 1.530 -7.078 1.00 1.33 H new ATOM 0 HD1 TRP A 106 12.473 2.752 -6.075 1.00 1.32 H new ATOM 0 HE1 TRP A 106 13.035 5.171 -5.398 1.00 1.47 H new ATOM 0 HE3 TRP A 106 8.591 5.164 -8.388 1.00 2.09 H new ATOM 0 HZ2 TRP A 106 11.903 7.784 -5.746 1.00 2.16 H new ATOM 0 HZ3 TRP A 106 8.400 7.626 -8.247 1.00 2.51 H new ATOM 0 HH2 TRP A 106 10.039 8.948 -6.929 1.00 2.55 H new ATOM 1164 N PRO A 107 12.174 0.723 -9.257 1.00 0.97 N ATOM 1165 CA PRO A 107 12.850 -0.554 -9.071 1.00 1.00 C ATOM 1166 C PRO A 107 12.689 -1.130 -7.648 1.00 1.11 C ATOM 1167 O PRO A 107 12.633 -2.358 -7.528 1.00 1.18 O ATOM 1168 CB PRO A 107 14.316 -0.277 -9.427 1.00 1.00 C ATOM 1169 CG PRO A 107 14.508 1.208 -9.112 1.00 1.25 C ATOM 1170 CD PRO A 107 13.138 1.809 -9.410 1.00 1.05 C ATOM 0 HA PRO A 107 12.413 -1.325 -9.705 1.00 1.00 H new ATOM 0 HB2 PRO A 107 14.992 -0.899 -8.840 1.00 1.00 H new ATOM 0 HB3 PRO A 107 14.517 -0.490 -10.477 1.00 1.00 H new ATOM 0 HG2 PRO A 107 14.799 1.365 -8.073 1.00 1.25 H new ATOM 0 HG3 PRO A 107 15.286 1.653 -9.732 1.00 1.25 H new ATOM 0 HD2 PRO A 107 12.915 2.627 -8.725 1.00 1.05 H new ATOM 0 HD3 PRO A 107 13.104 2.220 -10.419 1.00 1.05 H new ATOM 1178 N THR A 108 12.625 -0.304 -6.582 1.00 1.17 N ATOM 1179 CA THR A 108 13.007 -0.775 -5.220 1.00 1.70 C ATOM 1180 C THR A 108 12.032 -0.719 -4.057 1.00 1.30 C ATOM 1181 O THR A 108 12.217 -1.417 -3.057 1.00 2.31 O ATOM 1182 CB THR A 108 14.288 -0.082 -4.726 1.00 2.77 C ATOM 1183 OG1 THR A 108 14.136 1.317 -4.819 1.00 4.69 O ATOM 1184 CG2 THR A 108 15.492 -0.479 -5.555 1.00 3.55 C ATOM 0 H THR A 108 12.322 0.669 -6.627 1.00 1.17 H new ATOM 0 HA THR A 108 13.093 -1.837 -5.449 1.00 1.70 H new ATOM 0 HB THR A 108 14.449 -0.391 -3.693 1.00 2.77 H new ATOM 0 HG1 THR A 108 14.953 1.757 -4.502 1.00 4.69 H new ATOM 0 HG21 THR A 108 16.378 0.030 -5.177 1.00 3.55 H new ATOM 0 HG22 THR A 108 15.638 -1.557 -5.491 1.00 3.55 H new ATOM 0 HG23 THR A 108 15.327 -0.196 -6.595 1.00 3.55 H new ATOM 1192 N ILE A 109 10.993 0.081 -4.177 1.00 1.19 N ATOM 1193 CA ILE A 109 10.106 0.425 -3.060 1.00 0.96 C ATOM 1194 C ILE A 109 8.750 -0.317 -3.074 1.00 0.75 C ATOM 1195 O ILE A 109 8.292 -0.694 -4.158 1.00 1.33 O ATOM 1196 CB ILE A 109 10.018 1.932 -2.880 1.00 1.75 C ATOM 1197 CG1 ILE A 109 9.128 2.627 -3.912 1.00 1.92 C ATOM 1198 CG2 ILE A 109 11.425 2.551 -2.732 1.00 3.17 C ATOM 1199 CD1 ILE A 109 8.895 4.055 -3.447 1.00 3.44 C ATOM 0 H ILE A 109 10.729 0.521 -5.058 1.00 1.19 H new ATOM 0 HA ILE A 109 10.567 0.039 -2.151 1.00 0.96 H new ATOM 0 HB ILE A 109 9.496 2.115 -1.941 1.00 1.75 H new ATOM 0 HG12 ILE A 109 9.604 2.619 -4.893 1.00 1.92 H new ATOM 0 HG13 ILE A 109 8.179 2.100 -4.013 1.00 1.92 H new ATOM 0 HG21 ILE A 109 11.336 3.630 -2.604 1.00 3.17 H new ATOM 0 HG22 ILE A 109 11.921 2.122 -1.861 1.00 3.17 H new ATOM 0 HG23 ILE A 109 12.012 2.338 -3.626 1.00 3.17 H new ATOM 0 HD11 ILE A 109 8.262 4.573 -4.167 1.00 3.44 H new ATOM 0 HD12 ILE A 109 8.405 4.045 -2.474 1.00 3.44 H new ATOM 0 HD13 ILE A 109 9.851 4.572 -3.366 1.00 3.44 H new ATOM 1211 N PRO A 110 8.089 -0.521 -1.913 1.00 0.55 N ATOM 1212 CA PRO A 110 6.743 -1.074 -1.786 1.00 0.76 C ATOM 1213 C PRO A 110 5.659 0.022 -1.801 1.00 0.61 C ATOM 1214 O PRO A 110 5.954 1.211 -1.626 1.00 0.66 O ATOM 1215 CB PRO A 110 6.770 -1.848 -0.470 1.00 1.08 C ATOM 1216 CG PRO A 110 7.797 -1.128 0.397 1.00 0.62 C ATOM 1217 CD PRO A 110 8.580 -0.245 -0.572 1.00 0.55 C ATOM 0 HA PRO A 110 6.483 -1.715 -2.628 1.00 0.76 H new ATOM 0 HB2 PRO A 110 5.789 -1.853 0.004 1.00 1.08 H new ATOM 0 HB3 PRO A 110 7.051 -2.889 -0.631 1.00 1.08 H new ATOM 0 HG2 PRO A 110 7.313 -0.532 1.171 1.00 0.62 H new ATOM 0 HG3 PRO A 110 8.452 -1.836 0.904 1.00 0.62 H new ATOM 0 HD2 PRO A 110 8.446 0.808 -0.324 1.00 0.55 H new ATOM 0 HD3 PRO A 110 9.647 -0.455 -0.504 1.00 0.55 H new ATOM 1225 N GLN A 111 4.394 -0.370 -1.995 1.00 0.53 N ATOM 1226 CA GLN A 111 3.259 0.541 -2.206 1.00 0.55 C ATOM 1227 C GLN A 111 2.022 0.155 -1.386 1.00 0.48 C ATOM 1228 O GLN A 111 1.892 -0.975 -0.906 1.00 0.49 O ATOM 1229 CB GLN A 111 2.855 0.556 -3.696 1.00 0.82 C ATOM 1230 CG GLN A 111 3.880 1.173 -4.652 1.00 0.71 C ATOM 1231 CD GLN A 111 5.071 0.277 -4.973 1.00 1.26 C ATOM 1232 OE1 GLN A 111 5.034 -0.942 -4.874 1.00 2.52 O ATOM 1233 NE2 GLN A 111 6.189 0.854 -5.339 1.00 1.54 N ATOM 0 H GLN A 111 4.123 -1.353 -2.010 1.00 0.53 H new ATOM 0 HA GLN A 111 3.597 1.524 -1.879 1.00 0.55 H new ATOM 0 HB2 GLN A 111 2.661 -0.469 -4.012 1.00 0.82 H new ATOM 0 HB3 GLN A 111 1.917 1.103 -3.794 1.00 0.82 H new ATOM 0 HG2 GLN A 111 3.377 1.434 -5.583 1.00 0.71 H new ATOM 0 HG3 GLN A 111 4.248 2.102 -4.218 1.00 0.71 H new ATOM 0 HE21 GLN A 111 6.234 1.869 -5.426 1.00 1.54 H new ATOM 0 HE22 GLN A 111 7.014 0.288 -5.537 1.00 1.54 H new ATOM 1242 N VAL A 112 1.058 1.077 -1.321 1.00 0.50 N ATOM 1243 CA VAL A 112 -0.353 0.758 -1.099 1.00 0.52 C ATOM 1244 C VAL A 112 -1.176 1.413 -2.217 1.00 0.59 C ATOM 1245 O VAL A 112 -0.676 2.327 -2.860 1.00 0.93 O ATOM 1246 CB VAL A 112 -0.756 1.119 0.344 1.00 0.49 C ATOM 1247 CG1 VAL A 112 -0.723 2.613 0.681 1.00 0.51 C ATOM 1248 CG2 VAL A 112 -2.125 0.551 0.713 1.00 0.50 C ATOM 0 H VAL A 112 1.238 2.076 -1.422 1.00 0.50 H new ATOM 0 HA VAL A 112 -0.555 -0.311 -1.168 1.00 0.52 H new ATOM 0 HB VAL A 112 0.022 0.651 0.946 1.00 0.49 H new ATOM 0 HG11 VAL A 112 -1.023 2.759 1.719 1.00 0.51 H new ATOM 0 HG12 VAL A 112 0.288 2.996 0.538 1.00 0.51 H new ATOM 0 HG13 VAL A 112 -1.410 3.149 0.026 1.00 0.51 H new ATOM 0 HG21 VAL A 112 -2.370 0.829 1.738 1.00 0.50 H new ATOM 0 HG22 VAL A 112 -2.880 0.953 0.038 1.00 0.50 H new ATOM 0 HG23 VAL A 112 -2.103 -0.535 0.627 1.00 0.50 H new ATOM 1258 N TYR A 113 -2.356 0.898 -2.552 1.00 0.43 N ATOM 1259 CA TYR A 113 -3.429 1.591 -3.305 1.00 0.32 C ATOM 1260 C TYR A 113 -4.726 1.590 -2.477 1.00 0.33 C ATOM 1261 O TYR A 113 -5.063 0.580 -1.849 1.00 0.35 O ATOM 1262 CB TYR A 113 -3.655 0.911 -4.669 1.00 0.31 C ATOM 1263 CG TYR A 113 -2.494 1.046 -5.639 1.00 0.40 C ATOM 1264 CD1 TYR A 113 -1.284 0.380 -5.373 1.00 1.20 C ATOM 1265 CD2 TYR A 113 -2.606 1.834 -6.803 1.00 1.66 C ATOM 1266 CE1 TYR A 113 -0.166 0.563 -6.197 1.00 1.15 C ATOM 1267 CE2 TYR A 113 -1.500 1.979 -7.665 1.00 1.80 C ATOM 1268 CZ TYR A 113 -0.265 1.367 -7.356 1.00 0.72 C ATOM 1269 OH TYR A 113 0.813 1.590 -8.163 1.00 0.94 O ATOM 0 H TYR A 113 -2.614 -0.056 -2.300 1.00 0.43 H new ATOM 0 HA TYR A 113 -3.127 2.622 -3.487 1.00 0.32 H new ATOM 0 HB2 TYR A 113 -3.854 -0.148 -4.505 1.00 0.31 H new ATOM 0 HB3 TYR A 113 -4.548 1.335 -5.129 1.00 0.31 H new ATOM 0 HD1 TYR A 113 -1.216 -0.281 -4.522 1.00 1.20 H new ATOM 0 HD2 TYR A 113 -3.539 2.326 -7.034 1.00 1.66 H new ATOM 0 HE1 TYR A 113 0.772 0.090 -5.947 1.00 1.15 H new ATOM 0 HE2 TYR A 113 -1.598 2.562 -8.569 1.00 1.80 H new ATOM 0 HH TYR A 113 1.587 1.098 -7.818 1.00 0.94 H new ATOM 1279 N LEU A 114 -5.454 2.714 -2.474 1.00 0.36 N ATOM 1280 CA LEU A 114 -6.716 2.899 -1.740 1.00 0.33 C ATOM 1281 C LEU A 114 -7.899 3.002 -2.682 1.00 0.40 C ATOM 1282 O LEU A 114 -7.918 3.879 -3.547 1.00 0.45 O ATOM 1283 CB LEU A 114 -6.665 4.091 -0.776 1.00 0.32 C ATOM 1284 CG LEU A 114 -6.271 3.699 0.660 1.00 0.33 C ATOM 1285 CD1 LEU A 114 -4.897 3.053 0.754 1.00 0.39 C ATOM 1286 CD2 LEU A 114 -6.340 4.940 1.546 1.00 0.49 C ATOM 0 H LEU A 114 -5.175 3.544 -2.996 1.00 0.36 H new ATOM 0 HA LEU A 114 -6.853 2.006 -1.130 1.00 0.33 H new ATOM 0 HB2 LEU A 114 -5.952 4.824 -1.153 1.00 0.32 H new ATOM 0 HB3 LEU A 114 -7.641 4.576 -0.758 1.00 0.32 H new ATOM 0 HG LEU A 114 -6.979 2.943 1.001 1.00 0.33 H new ATOM 0 HD11 LEU A 114 -4.683 2.802 1.793 1.00 0.39 H new ATOM 0 HD12 LEU A 114 -4.880 2.145 0.151 1.00 0.39 H new ATOM 0 HD13 LEU A 114 -4.142 3.748 0.386 1.00 0.39 H new ATOM 0 HD21 LEU A 114 -6.063 4.675 2.566 1.00 0.49 H new ATOM 0 HD22 LEU A 114 -5.652 5.696 1.168 1.00 0.49 H new ATOM 0 HD23 LEU A 114 -7.355 5.337 1.537 1.00 0.49 H new ATOM 1298 N ASN A 115 -8.907 2.144 -2.485 1.00 0.42 N ATOM 1299 CA ASN A 115 -10.083 2.098 -3.357 1.00 0.47 C ATOM 1300 C ASN A 115 -9.684 1.914 -4.848 1.00 0.45 C ATOM 1301 O ASN A 115 -10.157 2.608 -5.753 1.00 0.48 O ATOM 1302 CB ASN A 115 -10.937 3.339 -3.042 1.00 0.57 C ATOM 1303 CG ASN A 115 -12.407 3.030 -2.822 1.00 1.00 C ATOM 1304 OD1 ASN A 115 -12.901 1.933 -3.041 1.00 1.26 O ATOM 1305 ND2 ASN A 115 -13.162 3.964 -2.313 1.00 1.15 N ATOM 0 H ASN A 115 -8.930 1.467 -1.722 1.00 0.42 H new ATOM 0 HA ASN A 115 -10.699 1.220 -3.163 1.00 0.47 H new ATOM 0 HB2 ASN A 115 -10.540 3.825 -2.151 1.00 0.57 H new ATOM 0 HB3 ASN A 115 -10.843 4.051 -3.862 1.00 0.57 H new ATOM 0 HD21 ASN A 115 -14.142 3.771 -2.106 1.00 1.15 H new ATOM 0 HD22 ASN A 115 -12.772 4.887 -2.122 1.00 1.15 H new ATOM 1312 N GLY A 116 -8.694 1.044 -5.069 1.00 0.51 N ATOM 1313 CA GLY A 116 -7.938 0.850 -6.305 1.00 0.49 C ATOM 1314 C GLY A 116 -7.008 1.981 -6.773 1.00 0.53 C ATOM 1315 O GLY A 116 -6.324 1.799 -7.772 1.00 0.69 O ATOM 0 H GLY A 116 -8.379 0.412 -4.333 1.00 0.51 H new ATOM 0 HA2 GLY A 116 -7.335 -0.050 -6.188 1.00 0.49 H new ATOM 0 HA3 GLY A 116 -8.652 0.654 -7.105 1.00 0.49 H new ATOM 1319 N GLU A 117 -6.956 3.149 -6.131 1.00 0.53 N ATOM 1320 CA GLU A 117 -6.286 4.342 -6.669 1.00 0.58 C ATOM 1321 C GLU A 117 -4.999 4.676 -5.921 1.00 0.54 C ATOM 1322 O GLU A 117 -4.844 4.427 -4.722 1.00 0.49 O ATOM 1323 CB GLU A 117 -7.264 5.520 -6.740 1.00 0.70 C ATOM 1324 CG GLU A 117 -6.690 6.761 -7.407 1.00 0.86 C ATOM 1325 CD GLU A 117 -7.775 7.784 -7.762 1.00 1.16 C ATOM 1326 OE1 GLU A 117 -8.260 8.510 -6.857 1.00 1.71 O ATOM 1327 OE2 GLU A 117 -8.181 7.844 -8.948 1.00 1.93 O ATOM 0 H GLU A 117 -7.380 3.299 -5.215 1.00 0.53 H new ATOM 0 HA GLU A 117 -5.971 4.120 -7.689 1.00 0.58 H new ATOM 0 HB2 GLU A 117 -8.155 5.207 -7.284 1.00 0.70 H new ATOM 0 HB3 GLU A 117 -7.581 5.777 -5.729 1.00 0.70 H new ATOM 0 HG2 GLU A 117 -5.961 7.224 -6.742 1.00 0.86 H new ATOM 0 HG3 GLU A 117 -6.157 6.471 -8.312 1.00 0.86 H new ATOM 1334 N PHE A 118 -4.054 5.241 -6.669 1.00 0.62 N ATOM 1335 CA PHE A 118 -2.747 5.611 -6.169 1.00 0.68 C ATOM 1336 C PHE A 118 -2.736 6.817 -5.238 1.00 0.80 C ATOM 1337 O PHE A 118 -3.521 7.768 -5.297 1.00 1.09 O ATOM 1338 CB PHE A 118 -1.666 5.689 -7.258 1.00 0.74 C ATOM 1339 CG PHE A 118 -0.243 5.426 -6.762 1.00 0.84 C ATOM 1340 CD1 PHE A 118 0.038 4.311 -5.947 1.00 2.33 C ATOM 1341 CD2 PHE A 118 0.822 6.261 -7.148 1.00 1.71 C ATOM 1342 CE1 PHE A 118 1.364 3.970 -5.631 1.00 2.62 C ATOM 1343 CE2 PHE A 118 2.153 5.906 -6.861 1.00 1.63 C ATOM 1344 CZ PHE A 118 2.428 4.741 -6.126 1.00 1.37 C ATOM 0 H PHE A 118 -4.185 5.455 -7.658 1.00 0.62 H new ATOM 0 HA PHE A 118 -2.471 4.770 -5.533 1.00 0.68 H new ATOM 0 HB2 PHE A 118 -1.904 4.967 -8.040 1.00 0.74 H new ATOM 0 HB3 PHE A 118 -1.700 6.678 -7.716 1.00 0.74 H new ATOM 0 HD1 PHE A 118 -0.774 3.713 -5.561 1.00 2.33 H new ATOM 0 HD2 PHE A 118 0.616 7.184 -7.670 1.00 1.71 H new ATOM 0 HE1 PHE A 118 1.565 3.113 -5.006 1.00 2.62 H new ATOM 0 HE2 PHE A 118 2.964 6.530 -7.206 1.00 1.63 H new ATOM 0 HZ PHE A 118 3.449 4.441 -5.943 1.00 1.37 H new ATOM 1354 N VAL A 119 -1.814 6.632 -4.319 1.00 0.60 N ATOM 1355 CA VAL A 119 -1.616 7.241 -3.018 1.00 0.40 C ATOM 1356 C VAL A 119 -0.130 7.613 -2.987 1.00 0.79 C ATOM 1357 O VAL A 119 0.227 8.786 -3.088 1.00 1.31 O ATOM 1358 CB VAL A 119 -2.032 6.207 -1.936 1.00 0.88 C ATOM 1359 CG1 VAL A 119 -3.493 6.348 -1.485 1.00 1.05 C ATOM 1360 CG2 VAL A 119 -1.981 4.776 -2.423 1.00 2.58 C ATOM 0 H VAL A 119 -1.077 5.949 -4.494 1.00 0.60 H new ATOM 0 HA VAL A 119 -2.214 8.132 -2.827 1.00 0.40 H new ATOM 0 HB VAL A 119 -1.318 6.414 -1.139 1.00 0.88 H new ATOM 0 HG11 VAL A 119 -3.715 5.595 -0.729 1.00 1.05 H new ATOM 0 HG12 VAL A 119 -3.650 7.341 -1.065 1.00 1.05 H new ATOM 0 HG13 VAL A 119 -4.153 6.208 -2.341 1.00 1.05 H new ATOM 0 HG21 VAL A 119 -2.283 4.107 -1.618 1.00 2.58 H new ATOM 0 HG22 VAL A 119 -2.658 4.655 -3.269 1.00 2.58 H new ATOM 0 HG23 VAL A 119 -0.965 4.534 -2.734 1.00 2.58 H new ATOM 1370 N GLY A 120 0.730 6.594 -3.047 1.00 0.76 N ATOM 1371 CA GLY A 120 2.151 6.682 -3.368 1.00 0.95 C ATOM 1372 C GLY A 120 2.926 5.466 -2.846 1.00 0.65 C ATOM 1373 O GLY A 120 2.381 4.640 -2.107 1.00 0.60 O ATOM 0 H GLY A 120 0.435 5.635 -2.863 1.00 0.76 H new ATOM 0 HA2 GLY A 120 2.276 6.757 -4.448 1.00 0.95 H new ATOM 0 HA3 GLY A 120 2.566 7.592 -2.935 1.00 0.95 H new ATOM 1377 N GLY A 121 4.198 5.336 -3.227 1.00 0.72 N ATOM 1378 CA GLY A 121 5.113 4.374 -2.608 1.00 0.63 C ATOM 1379 C GLY A 121 5.505 4.770 -1.181 1.00 0.61 C ATOM 1380 O GLY A 121 5.170 5.857 -0.705 1.00 0.64 O ATOM 0 H GLY A 121 4.622 5.892 -3.970 1.00 0.72 H new ATOM 0 HA2 GLY A 121 4.644 3.390 -2.593 1.00 0.63 H new ATOM 0 HA3 GLY A 121 6.012 4.289 -3.218 1.00 0.63 H new ATOM 1384 N CYS A 122 6.244 3.904 -0.485 1.00 0.62 N ATOM 1385 CA CYS A 122 6.632 4.132 0.913 1.00 0.62 C ATOM 1386 C CYS A 122 7.332 5.487 1.171 1.00 0.69 C ATOM 1387 O CYS A 122 7.127 6.081 2.226 1.00 0.79 O ATOM 1388 CB CYS A 122 7.526 2.966 1.340 1.00 0.61 C ATOM 1389 SG CYS A 122 7.919 3.064 3.110 1.00 0.70 S ATOM 0 H CYS A 122 6.591 3.026 -0.871 1.00 0.62 H new ATOM 0 HA CYS A 122 5.721 4.181 1.510 1.00 0.62 H new ATOM 0 HB2 CYS A 122 7.025 2.022 1.126 1.00 0.61 H new ATOM 0 HB3 CYS A 122 8.447 2.977 0.758 1.00 0.61 H new ATOM 0 HG CYS A 122 9.106 2.576 3.319 1.00 0.70 H new ATOM 1395 N ASP A 123 8.103 6.018 0.212 1.00 0.73 N ATOM 1396 CA ASP A 123 8.777 7.323 0.356 1.00 0.80 C ATOM 1397 C ASP A 123 7.783 8.503 0.397 1.00 0.72 C ATOM 1398 O ASP A 123 8.059 9.544 0.997 1.00 0.86 O ATOM 1399 CB ASP A 123 9.774 7.496 -0.801 1.00 0.99 C ATOM 1400 CG ASP A 123 10.611 8.768 -0.642 1.00 1.30 C ATOM 1401 OD1 ASP A 123 11.448 8.829 0.287 1.00 1.71 O ATOM 1402 OD2 ASP A 123 10.404 9.745 -1.404 1.00 2.63 O ATOM 0 H ASP A 123 8.279 5.560 -0.683 1.00 0.73 H new ATOM 0 HA ASP A 123 9.301 7.331 1.312 1.00 0.80 H new ATOM 0 HB2 ASP A 123 10.434 6.629 -0.845 1.00 0.99 H new ATOM 0 HB3 ASP A 123 9.232 7.533 -1.746 1.00 0.99 H new ATOM 1407 N ILE A 124 6.619 8.327 -0.232 1.00 0.62 N ATOM 1408 CA ILE A 124 5.514 9.290 -0.327 1.00 0.59 C ATOM 1409 C ILE A 124 4.584 9.154 0.879 1.00 0.56 C ATOM 1410 O ILE A 124 4.246 10.153 1.511 1.00 0.52 O ATOM 1411 CB ILE A 124 4.777 9.110 -1.665 1.00 0.61 C ATOM 1412 CG1 ILE A 124 5.849 9.285 -2.762 1.00 0.58 C ATOM 1413 CG2 ILE A 124 3.608 10.108 -1.738 1.00 0.58 C ATOM 1414 CD1 ILE A 124 5.300 9.632 -4.128 1.00 2.21 C ATOM 0 H ILE A 124 6.408 7.456 -0.719 1.00 0.62 H new ATOM 0 HA ILE A 124 5.909 10.306 -0.308 1.00 0.59 H new ATOM 0 HB ILE A 124 4.316 8.130 -1.790 1.00 0.61 H new ATOM 0 HG12 ILE A 124 6.542 10.068 -2.453 1.00 0.58 H new ATOM 0 HG13 ILE A 124 6.425 8.363 -2.840 1.00 0.58 H new ATOM 0 HG21 ILE A 124 3.082 9.984 -2.685 1.00 0.58 H new ATOM 0 HG22 ILE A 124 2.919 9.923 -0.914 1.00 0.58 H new ATOM 0 HG23 ILE A 124 3.993 11.125 -1.667 1.00 0.58 H new ATOM 0 HD11 ILE A 124 6.123 9.736 -4.835 1.00 2.21 H new ATOM 0 HD12 ILE A 124 4.631 8.839 -4.463 1.00 2.21 H new ATOM 0 HD13 ILE A 124 4.750 10.571 -4.071 1.00 2.21 H new ATOM 1426 N LEU A 125 4.245 7.915 1.259 1.00 0.57 N ATOM 1427 CA LEU A 125 3.447 7.604 2.453 1.00 0.53 C ATOM 1428 C LEU A 125 3.999 8.304 3.707 1.00 0.55 C ATOM 1429 O LEU A 125 3.238 8.824 4.522 1.00 0.55 O ATOM 1430 CB LEU A 125 3.468 6.075 2.655 1.00 0.46 C ATOM 1431 CG LEU A 125 2.433 5.568 3.676 1.00 0.38 C ATOM 1432 CD1 LEU A 125 1.015 5.597 3.105 1.00 0.59 C ATOM 1433 CD2 LEU A 125 2.730 4.113 4.028 1.00 0.48 C ATOM 0 H LEU A 125 4.523 7.085 0.735 1.00 0.57 H new ATOM 0 HA LEU A 125 2.429 7.965 2.305 1.00 0.53 H new ATOM 0 HB2 LEU A 125 3.287 5.589 1.696 1.00 0.46 H new ATOM 0 HB3 LEU A 125 4.464 5.775 2.982 1.00 0.46 H new ATOM 0 HG LEU A 125 2.498 6.221 4.546 1.00 0.38 H new ATOM 0 HD11 LEU A 125 0.313 5.232 3.855 1.00 0.59 H new ATOM 0 HD12 LEU A 125 0.754 6.619 2.831 1.00 0.59 H new ATOM 0 HD13 LEU A 125 0.965 4.960 2.222 1.00 0.59 H new ATOM 0 HD21 LEU A 125 1.996 3.756 4.751 1.00 0.48 H new ATOM 0 HD22 LEU A 125 2.678 3.503 3.126 1.00 0.48 H new ATOM 0 HD23 LEU A 125 3.729 4.039 4.459 1.00 0.48 H new ATOM 1445 N LEU A 126 5.330 8.367 3.808 1.00 0.58 N ATOM 1446 CA LEU A 126 6.078 8.946 4.926 1.00 0.62 C ATOM 1447 C LEU A 126 5.941 10.476 4.985 1.00 0.61 C ATOM 1448 O LEU A 126 6.082 11.054 6.053 1.00 0.72 O ATOM 1449 CB LEU A 126 7.553 8.493 4.792 1.00 0.74 C ATOM 1450 CG LEU A 126 8.362 8.230 6.078 1.00 0.71 C ATOM 1451 CD1 LEU A 126 8.494 9.432 7.003 1.00 0.82 C ATOM 1452 CD2 LEU A 126 7.767 7.099 6.914 1.00 0.64 C ATOM 0 H LEU A 126 5.942 7.999 3.080 1.00 0.58 H new ATOM 0 HA LEU A 126 5.668 8.588 5.870 1.00 0.62 H new ATOM 0 HB2 LEU A 126 7.566 7.578 4.199 1.00 0.74 H new ATOM 0 HB3 LEU A 126 8.082 9.253 4.217 1.00 0.74 H new ATOM 0 HG LEU A 126 9.349 7.968 5.695 1.00 0.71 H new ATOM 0 HD11 LEU A 126 9.078 9.154 7.880 1.00 0.82 H new ATOM 0 HD12 LEU A 126 8.996 10.243 6.476 1.00 0.82 H new ATOM 0 HD13 LEU A 126 7.503 9.761 7.316 1.00 0.82 H new ATOM 0 HD21 LEU A 126 8.371 6.951 7.809 1.00 0.64 H new ATOM 0 HD22 LEU A 126 6.748 7.357 7.203 1.00 0.64 H new ATOM 0 HD23 LEU A 126 7.756 6.180 6.328 1.00 0.64 H new ATOM 1464 N GLN A 127 5.612 11.144 3.878 1.00 0.56 N ATOM 1465 CA GLN A 127 5.254 12.562 3.850 1.00 0.54 C ATOM 1466 C GLN A 127 3.762 12.757 4.141 1.00 0.54 C ATOM 1467 O GLN A 127 3.368 13.490 5.052 1.00 0.57 O ATOM 1468 CB GLN A 127 5.595 13.121 2.463 1.00 0.54 C ATOM 1469 CG GLN A 127 6.997 12.736 1.974 1.00 0.57 C ATOM 1470 CD GLN A 127 8.104 12.988 2.997 1.00 0.62 C ATOM 1471 OE1 GLN A 127 8.188 14.034 3.624 1.00 0.76 O ATOM 1472 NE2 GLN A 127 8.960 12.019 3.238 1.00 0.64 N ATOM 0 H GLN A 127 5.587 10.705 2.958 1.00 0.56 H new ATOM 0 HA GLN A 127 5.815 13.091 4.620 1.00 0.54 H new ATOM 0 HB2 GLN A 127 4.858 12.763 1.745 1.00 0.54 H new ATOM 0 HB3 GLN A 127 5.514 14.208 2.488 1.00 0.54 H new ATOM 0 HG2 GLN A 127 6.999 11.680 1.705 1.00 0.57 H new ATOM 0 HG3 GLN A 127 7.221 13.297 1.067 1.00 0.57 H new ATOM 0 HE21 GLN A 127 8.898 11.143 2.720 1.00 0.64 H new ATOM 0 HE22 GLN A 127 9.686 12.144 3.943 1.00 0.64 H new ATOM 1481 N MET A 128 2.914 12.031 3.406 1.00 0.54 N ATOM 1482 CA MET A 128 1.463 12.156 3.468 1.00 0.53 C ATOM 1483 C MET A 128 0.884 11.857 4.855 1.00 0.49 C ATOM 1484 O MET A 128 -0.129 12.448 5.228 1.00 0.51 O ATOM 1485 CB MET A 128 0.869 11.166 2.479 1.00 0.48 C ATOM 1486 CG MET A 128 1.163 11.495 1.018 1.00 0.60 C ATOM 1487 SD MET A 128 0.205 10.465 -0.114 1.00 0.66 S ATOM 1488 CE MET A 128 -1.383 11.273 0.155 1.00 0.57 C ATOM 0 H MET A 128 3.228 11.327 2.739 1.00 0.54 H new ATOM 0 HA MET A 128 1.211 13.190 3.233 1.00 0.53 H new ATOM 0 HB2 MET A 128 1.254 10.171 2.701 1.00 0.48 H new ATOM 0 HB3 MET A 128 -0.211 11.129 2.622 1.00 0.48 H new ATOM 0 HG2 MET A 128 0.938 12.545 0.831 1.00 0.60 H new ATOM 0 HG3 MET A 128 2.226 11.357 0.822 1.00 0.60 H new ATOM 0 HE1 MET A 128 -2.105 10.544 0.523 1.00 0.57 H new ATOM 0 HE2 MET A 128 -1.266 12.070 0.889 1.00 0.57 H new ATOM 0 HE3 MET A 128 -1.740 11.695 -0.784 1.00 0.57 H new ATOM 1498 N HIS A 129 1.535 10.972 5.617 1.00 0.46 N ATOM 1499 CA HIS A 129 1.230 10.691 7.034 1.00 0.45 C ATOM 1500 C HIS A 129 1.132 11.968 7.857 1.00 0.56 C ATOM 1501 O HIS A 129 0.198 12.195 8.624 1.00 0.59 O ATOM 1502 CB HIS A 129 2.378 9.871 7.635 1.00 0.52 C ATOM 1503 CG HIS A 129 2.159 9.352 9.032 1.00 0.56 C ATOM 1504 ND1 HIS A 129 1.073 8.680 9.552 1.00 0.51 N ATOM 1505 CD2 HIS A 129 3.077 9.453 10.034 1.00 0.71 C ATOM 1506 CE1 HIS A 129 1.374 8.333 10.816 1.00 0.63 C ATOM 1507 NE2 HIS A 129 2.591 8.789 11.165 1.00 0.74 N ATOM 0 H HIS A 129 2.311 10.413 5.261 1.00 0.46 H new ATOM 0 HA HIS A 129 0.277 10.162 7.063 1.00 0.45 H new ATOM 0 HB2 HIS A 129 2.573 9.022 6.980 1.00 0.52 H new ATOM 0 HB3 HIS A 129 3.277 10.487 7.635 1.00 0.52 H new ATOM 0 HD2 HIS A 129 4.026 9.963 9.966 1.00 0.71 H new ATOM 0 HE1 HIS A 129 0.725 7.764 11.465 1.00 0.63 H new ATOM 0 HE2 HIS A 129 3.060 8.675 12.064 1.00 0.74 H new ATOM 1515 N GLN A 130 2.171 12.772 7.679 1.00 0.66 N ATOM 1516 CA GLN A 130 2.601 13.817 8.581 1.00 0.81 C ATOM 1517 C GLN A 130 1.965 15.164 8.182 1.00 0.89 C ATOM 1518 O GLN A 130 1.615 15.990 9.030 1.00 1.07 O ATOM 1519 CB GLN A 130 4.131 13.815 8.542 1.00 0.96 C ATOM 1520 CG GLN A 130 4.763 12.441 8.705 1.00 1.00 C ATOM 1521 CD GLN A 130 6.198 12.488 9.231 1.00 1.31 C ATOM 1522 OE1 GLN A 130 6.482 12.939 10.329 1.00 2.01 O ATOM 1523 NE2 GLN A 130 7.164 12.041 8.466 1.00 1.16 N ATOM 0 H GLN A 130 2.766 12.704 6.853 1.00 0.66 H new ATOM 0 HA GLN A 130 2.274 13.648 9.607 1.00 0.81 H new ATOM 0 HB2 GLN A 130 4.458 14.242 7.594 1.00 0.96 H new ATOM 0 HB3 GLN A 130 4.503 14.468 9.331 1.00 0.96 H new ATOM 0 HG2 GLN A 130 4.154 11.848 9.387 1.00 1.00 H new ATOM 0 HG3 GLN A 130 4.754 11.929 7.743 1.00 1.00 H new ATOM 0 HE21 GLN A 130 6.950 11.660 7.545 1.00 1.16 H new ATOM 0 HE22 GLN A 130 8.130 12.074 8.792 1.00 1.16 H new ATOM 1532 N ASN A 131 1.750 15.342 6.871 1.00 0.83 N ATOM 1533 CA ASN A 131 0.887 16.345 6.264 1.00 0.94 C ATOM 1534 C ASN A 131 -0.617 16.039 6.466 1.00 0.95 C ATOM 1535 O ASN A 131 -1.443 16.954 6.496 1.00 1.20 O ATOM 1536 CB ASN A 131 1.304 16.415 4.802 1.00 0.95 C ATOM 1537 CG ASN A 131 0.478 17.417 4.039 1.00 1.14 C ATOM 1538 OD1 ASN A 131 0.078 18.459 4.533 1.00 2.19 O ATOM 1539 ND2 ASN A 131 0.135 17.100 2.826 1.00 1.35 N ATOM 0 H ASN A 131 2.203 14.752 6.173 1.00 0.83 H new ATOM 0 HA ASN A 131 1.008 17.317 6.742 1.00 0.94 H new ATOM 0 HB2 ASN A 131 2.358 16.685 4.736 1.00 0.95 H new ATOM 0 HB3 ASN A 131 1.198 15.431 4.345 1.00 0.95 H new ATOM 0 HD21 ASN A 131 -0.468 17.722 2.288 1.00 1.35 H new ATOM 0 HD22 ASN A 131 0.469 16.229 2.413 1.00 1.35 H new ATOM 1546 N GLY A 132 -0.995 14.764 6.629 1.00 0.72 N ATOM 1547 CA GLY A 132 -2.357 14.370 7.005 1.00 0.66 C ATOM 1548 C GLY A 132 -3.253 14.088 5.798 1.00 0.58 C ATOM 1549 O GLY A 132 -4.467 13.962 5.931 1.00 0.57 O ATOM 0 H GLY A 132 -0.361 13.975 6.503 1.00 0.72 H new ATOM 0 HA2 GLY A 132 -2.312 13.480 7.632 1.00 0.66 H new ATOM 0 HA3 GLY A 132 -2.805 15.161 7.606 1.00 0.66 H new ATOM 1553 N ASP A 133 -2.672 13.954 4.608 1.00 0.59 N ATOM 1554 CA ASP A 133 -3.404 13.689 3.366 1.00 0.60 C ATOM 1555 C ASP A 133 -3.807 12.210 3.229 1.00 0.51 C ATOM 1556 O ASP A 133 -4.645 11.886 2.383 1.00 0.57 O ATOM 1557 CB ASP A 133 -2.600 14.215 2.165 1.00 0.74 C ATOM 1558 CG ASP A 133 -2.923 15.682 1.858 1.00 0.79 C ATOM 1559 OD1 ASP A 133 -2.912 16.517 2.789 1.00 1.72 O ATOM 1560 OD2 ASP A 133 -3.200 16.009 0.676 1.00 1.82 O ATOM 0 H ASP A 133 -1.663 14.027 4.475 1.00 0.59 H new ATOM 0 HA ASP A 133 -4.348 14.233 3.394 1.00 0.60 H new ATOM 0 HB2 ASP A 133 -1.534 14.113 2.369 1.00 0.74 H new ATOM 0 HB3 ASP A 133 -2.816 13.605 1.288 1.00 0.74 H new ATOM 1565 N LEU A 134 -3.282 11.317 4.090 1.00 0.42 N ATOM 1566 CA LEU A 134 -3.776 9.937 4.177 1.00 0.33 C ATOM 1567 C LEU A 134 -5.138 9.919 4.857 1.00 0.30 C ATOM 1568 O LEU A 134 -6.020 9.159 4.500 1.00 0.34 O ATOM 1569 CB LEU A 134 -2.811 9.048 4.988 1.00 0.29 C ATOM 1570 CG LEU A 134 -1.376 8.997 4.455 1.00 0.32 C ATOM 1571 CD1 LEU A 134 -0.538 8.008 5.256 1.00 0.33 C ATOM 1572 CD2 LEU A 134 -1.327 8.606 2.983 1.00 0.35 C ATOM 0 H LEU A 134 -2.518 11.530 4.732 1.00 0.42 H new ATOM 0 HA LEU A 134 -3.851 9.546 3.162 1.00 0.33 H new ATOM 0 HB2 LEU A 134 -2.788 9.407 6.017 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.210 8.034 5.013 1.00 0.29 H new ATOM 0 HG LEU A 134 -0.967 10.002 4.561 1.00 0.32 H new ATOM 0 HD11 LEU A 134 0.478 7.988 4.861 1.00 0.33 H new ATOM 0 HD12 LEU A 134 -0.514 8.315 6.302 1.00 0.33 H new ATOM 0 HD13 LEU A 134 -0.977 7.013 5.179 1.00 0.33 H new ATOM 0 HD21 LEU A 134 -0.290 8.582 2.647 1.00 0.35 H new ATOM 0 HD22 LEU A 134 -1.773 7.620 2.853 1.00 0.35 H new ATOM 0 HD23 LEU A 134 -1.883 9.336 2.394 1.00 0.35 H new ATOM 1584 N VAL A 135 -5.297 10.811 5.822 1.00 0.33 N ATOM 1585 CA VAL A 135 -6.458 10.991 6.687 1.00 0.33 C ATOM 1586 C VAL A 135 -7.643 11.491 5.860 1.00 0.40 C ATOM 1587 O VAL A 135 -8.764 11.051 6.056 1.00 0.46 O ATOM 1588 CB VAL A 135 -6.100 12.007 7.778 1.00 0.38 C ATOM 1589 CG1 VAL A 135 -6.952 11.813 9.013 1.00 0.43 C ATOM 1590 CG2 VAL A 135 -4.682 11.750 8.287 1.00 0.48 C ATOM 0 H VAL A 135 -4.560 11.482 6.040 1.00 0.33 H new ATOM 0 HA VAL A 135 -6.736 10.044 7.149 1.00 0.33 H new ATOM 0 HB VAL A 135 -6.235 12.991 7.329 1.00 0.38 H new ATOM 0 HG11 VAL A 135 -6.673 12.549 9.767 1.00 0.43 H new ATOM 0 HG12 VAL A 135 -8.003 11.940 8.754 1.00 0.43 H new ATOM 0 HG13 VAL A 135 -6.795 10.810 9.410 1.00 0.43 H new ATOM 0 HG21 VAL A 135 -4.436 12.476 9.062 1.00 0.48 H new ATOM 0 HG22 VAL A 135 -4.621 10.743 8.701 1.00 0.48 H new ATOM 0 HG23 VAL A 135 -3.976 11.847 7.462 1.00 0.48 H new ATOM 1600 N GLU A 136 -7.391 12.346 4.862 1.00 0.45 N ATOM 1601 CA GLU A 136 -8.411 12.793 3.903 1.00 0.48 C ATOM 1602 C GLU A 136 -8.757 11.675 2.923 1.00 0.45 C ATOM 1603 O GLU A 136 -9.926 11.425 2.647 1.00 0.53 O ATOM 1604 CB GLU A 136 -7.926 14.029 3.132 1.00 0.58 C ATOM 1605 CG GLU A 136 -7.473 15.168 4.050 1.00 1.04 C ATOM 1606 CD GLU A 136 -8.562 15.611 5.039 1.00 1.46 C ATOM 1607 OE1 GLU A 136 -9.720 15.830 4.615 1.00 2.34 O ATOM 1608 OE2 GLU A 136 -8.264 15.755 6.252 1.00 2.30 O ATOM 0 H GLU A 136 -6.469 12.750 4.695 1.00 0.45 H new ATOM 0 HA GLU A 136 -9.307 13.058 4.465 1.00 0.48 H new ATOM 0 HB2 GLU A 136 -7.099 13.743 2.482 1.00 0.58 H new ATOM 0 HB3 GLU A 136 -8.729 14.387 2.488 1.00 0.58 H new ATOM 0 HG2 GLU A 136 -6.592 14.850 4.607 1.00 1.04 H new ATOM 0 HG3 GLU A 136 -7.174 16.021 3.441 1.00 1.04 H new ATOM 1615 N GLU A 137 -7.747 10.937 2.457 1.00 0.44 N ATOM 1616 CA GLU A 137 -7.959 9.742 1.628 1.00 0.44 C ATOM 1617 C GLU A 137 -8.731 8.633 2.370 1.00 0.42 C ATOM 1618 O GLU A 137 -9.480 7.889 1.732 1.00 0.55 O ATOM 1619 CB GLU A 137 -6.613 9.228 1.093 1.00 0.50 C ATOM 1620 CG GLU A 137 -6.743 8.447 -0.231 1.00 0.89 C ATOM 1621 CD GLU A 137 -7.118 9.303 -1.455 1.00 0.80 C ATOM 1622 OE1 GLU A 137 -7.227 10.547 -1.339 1.00 1.54 O ATOM 1623 OE2 GLU A 137 -7.287 8.729 -2.562 1.00 2.23 O ATOM 0 H GLU A 137 -6.766 11.146 2.640 1.00 0.44 H new ATOM 0 HA GLU A 137 -8.586 10.033 0.785 1.00 0.44 H new ATOM 0 HB2 GLU A 137 -5.942 10.074 0.944 1.00 0.50 H new ATOM 0 HB3 GLU A 137 -6.153 8.585 1.843 1.00 0.50 H new ATOM 0 HG2 GLU A 137 -5.797 7.944 -0.434 1.00 0.89 H new ATOM 0 HG3 GLU A 137 -7.497 7.670 -0.105 1.00 0.89 H new ATOM 1630 N LEU A 138 -8.614 8.556 3.704 1.00 0.40 N ATOM 1631 CA LEU A 138 -9.424 7.684 4.556 1.00 0.43 C ATOM 1632 C LEU A 138 -10.843 8.250 4.754 1.00 0.52 C ATOM 1633 O LEU A 138 -11.803 7.508 4.558 1.00 0.58 O ATOM 1634 CB LEU A 138 -8.681 7.424 5.883 1.00 0.37 C ATOM 1635 CG LEU A 138 -7.417 6.545 5.748 1.00 0.37 C ATOM 1636 CD1 LEU A 138 -6.614 6.588 7.049 1.00 0.38 C ATOM 1637 CD2 LEU A 138 -7.722 5.079 5.436 1.00 0.42 C ATOM 0 H LEU A 138 -7.938 9.112 4.228 1.00 0.40 H new ATOM 0 HA LEU A 138 -9.562 6.721 4.064 1.00 0.43 H new ATOM 0 HB2 LEU A 138 -8.397 8.382 6.320 1.00 0.37 H new ATOM 0 HB3 LEU A 138 -9.368 6.946 6.582 1.00 0.37 H new ATOM 0 HG LEU A 138 -6.855 6.958 4.910 1.00 0.37 H new ATOM 0 HD11 LEU A 138 -5.724 5.967 6.948 1.00 0.38 H new ATOM 0 HD12 LEU A 138 -6.317 7.615 7.260 1.00 0.38 H new ATOM 0 HD13 LEU A 138 -7.228 6.213 7.868 1.00 0.38 H new ATOM 0 HD21 LEU A 138 -6.788 4.522 5.355 1.00 0.42 H new ATOM 0 HD22 LEU A 138 -8.329 4.655 6.236 1.00 0.42 H new ATOM 0 HD23 LEU A 138 -8.266 5.013 4.494 1.00 0.42 H new ATOM 1649 N LYS A 139 -11.016 9.558 5.003 1.00 0.56 N ATOM 1650 CA LYS A 139 -12.340 10.226 5.058 1.00 0.66 C ATOM 1651 C LYS A 139 -13.139 10.075 3.758 1.00 0.71 C ATOM 1652 O LYS A 139 -14.354 9.868 3.819 1.00 0.75 O ATOM 1653 CB LYS A 139 -12.172 11.720 5.388 1.00 0.79 C ATOM 1654 CG LYS A 139 -11.752 11.965 6.838 1.00 0.79 C ATOM 1655 CD LYS A 139 -11.297 13.413 7.059 1.00 0.90 C ATOM 1656 CE LYS A 139 -10.291 13.479 8.206 1.00 0.89 C ATOM 1657 NZ LYS A 139 -9.826 14.869 8.404 1.00 1.17 N ATOM 0 H LYS A 139 -10.237 10.194 5.174 1.00 0.56 H new ATOM 0 HA LYS A 139 -12.905 9.729 5.847 1.00 0.66 H new ATOM 0 HB2 LYS A 139 -11.426 12.153 4.721 1.00 0.79 H new ATOM 0 HB3 LYS A 139 -13.112 12.238 5.195 1.00 0.79 H new ATOM 0 HG2 LYS A 139 -12.587 11.740 7.502 1.00 0.79 H new ATOM 0 HG3 LYS A 139 -10.943 11.285 7.103 1.00 0.79 H new ATOM 0 HD2 LYS A 139 -10.846 13.804 6.147 1.00 0.90 H new ATOM 0 HD3 LYS A 139 -12.158 14.042 7.284 1.00 0.90 H new ATOM 0 HE2 LYS A 139 -10.750 13.108 9.123 1.00 0.89 H new ATOM 0 HE3 LYS A 139 -9.441 12.832 7.991 1.00 0.89 H new ATOM 0 HZ1 LYS A 139 -9.222 14.916 9.249 1.00 1.17 H new ATOM 0 HZ2 LYS A 139 -9.282 15.175 7.572 1.00 1.17 H new ATOM 0 HZ3 LYS A 139 -10.647 15.495 8.530 1.00 1.17 H new ATOM 1671 N LYS A 140 -12.469 10.107 2.598 1.00 0.79 N ATOM 1672 CA LYS A 140 -13.016 9.806 1.259 1.00 0.87 C ATOM 1673 C LYS A 140 -13.402 8.329 1.070 1.00 0.87 C ATOM 1674 O LYS A 140 -14.318 8.047 0.301 1.00 0.98 O ATOM 1675 CB LYS A 140 -11.981 10.211 0.200 1.00 1.11 C ATOM 1676 CG LYS A 140 -11.812 11.733 0.038 1.00 1.30 C ATOM 1677 CD LYS A 140 -10.552 12.092 -0.770 1.00 1.56 C ATOM 1678 CE LYS A 140 -10.556 11.449 -2.162 1.00 1.60 C ATOM 1679 NZ LYS A 140 -9.275 11.659 -2.874 1.00 1.74 N ATOM 0 H LYS A 140 -11.480 10.356 2.561 1.00 0.79 H new ATOM 0 HA LYS A 140 -13.937 10.378 1.150 1.00 0.87 H new ATOM 0 HB2 LYS A 140 -11.017 9.775 0.463 1.00 1.11 H new ATOM 0 HB3 LYS A 140 -12.272 9.784 -0.760 1.00 1.11 H new ATOM 0 HG2 LYS A 140 -12.691 12.144 -0.459 1.00 1.30 H new ATOM 0 HG3 LYS A 140 -11.756 12.198 1.022 1.00 1.30 H new ATOM 0 HD2 LYS A 140 -10.484 13.175 -0.872 1.00 1.56 H new ATOM 0 HD3 LYS A 140 -9.667 11.767 -0.224 1.00 1.56 H new ATOM 0 HE2 LYS A 140 -10.747 10.380 -2.067 1.00 1.60 H new ATOM 0 HE3 LYS A 140 -11.371 11.867 -2.752 1.00 1.60 H new ATOM 0 HZ1 LYS A 140 -9.289 11.138 -3.774 1.00 1.74 H new ATOM 0 HZ2 LYS A 140 -9.145 12.673 -3.063 1.00 1.74 H new ATOM 0 HZ3 LYS A 140 -8.490 11.313 -2.286 1.00 1.74 H new ATOM 1693 N LEU A 141 -12.743 7.417 1.794 1.00 0.86 N ATOM 1694 CA LEU A 141 -13.076 5.986 1.919 1.00 0.91 C ATOM 1695 C LEU A 141 -14.222 5.726 2.919 1.00 0.79 C ATOM 1696 O LEU A 141 -14.789 4.638 2.953 1.00 0.90 O ATOM 1697 CB LEU A 141 -11.816 5.235 2.424 1.00 1.02 C ATOM 1698 CG LEU A 141 -11.416 3.924 1.725 1.00 1.04 C ATOM 1699 CD1 LEU A 141 -12.555 2.941 1.461 1.00 1.66 C ATOM 1700 CD2 LEU A 141 -10.699 4.229 0.422 1.00 1.54 C ATOM 0 H LEU A 141 -11.918 7.667 2.339 1.00 0.86 H new ATOM 0 HA LEU A 141 -13.401 5.636 0.939 1.00 0.91 H new ATOM 0 HB2 LEU A 141 -10.971 5.920 2.354 1.00 1.02 H new ATOM 0 HB3 LEU A 141 -11.962 5.016 3.482 1.00 1.02 H new ATOM 0 HG LEU A 141 -10.760 3.420 2.435 1.00 1.04 H new ATOM 0 HD11 LEU A 141 -12.162 2.053 0.966 1.00 1.66 H new ATOM 0 HD12 LEU A 141 -13.015 2.655 2.407 1.00 1.66 H new ATOM 0 HD13 LEU A 141 -13.302 3.412 0.822 1.00 1.66 H new ATOM 0 HD21 LEU A 141 -10.419 3.296 -0.066 1.00 1.54 H new ATOM 0 HD22 LEU A 141 -11.360 4.797 -0.233 1.00 1.54 H new ATOM 0 HD23 LEU A 141 -9.802 4.813 0.628 1.00 1.54 H new ATOM 1712 N GLY A 142 -14.483 6.683 3.812 1.00 0.68 N ATOM 1713 CA GLY A 142 -15.290 6.521 5.025 1.00 0.63 C ATOM 1714 C GLY A 142 -14.508 6.021 6.252 1.00 0.62 C ATOM 1715 O GLY A 142 -15.001 6.134 7.375 1.00 0.88 O ATOM 0 H GLY A 142 -14.123 7.632 3.706 1.00 0.68 H new ATOM 0 HA2 GLY A 142 -15.751 7.478 5.269 1.00 0.63 H new ATOM 0 HA3 GLY A 142 -16.099 5.821 4.816 1.00 0.63 H new ATOM 1719 N ILE A 143 -13.277 5.527 6.084 1.00 0.49 N ATOM 1720 CA ILE A 143 -12.439 5.026 7.186 1.00 0.46 C ATOM 1721 C ILE A 143 -12.010 6.175 8.113 1.00 0.47 C ATOM 1722 O ILE A 143 -11.673 7.276 7.673 1.00 0.46 O ATOM 1723 CB ILE A 143 -11.217 4.221 6.673 1.00 0.47 C ATOM 1724 CG1 ILE A 143 -11.631 2.989 5.829 1.00 0.51 C ATOM 1725 CG2 ILE A 143 -10.366 3.772 7.881 1.00 0.57 C ATOM 1726 CD1 ILE A 143 -10.460 2.263 5.137 1.00 0.58 C ATOM 0 H ILE A 143 -12.827 5.462 5.171 1.00 0.49 H new ATOM 0 HA ILE A 143 -13.047 4.332 7.767 1.00 0.46 H new ATOM 0 HB ILE A 143 -10.637 4.873 6.019 1.00 0.47 H new ATOM 0 HG12 ILE A 143 -12.150 2.281 6.475 1.00 0.51 H new ATOM 0 HG13 ILE A 143 -12.344 3.309 5.069 1.00 0.51 H new ATOM 0 HG21 ILE A 143 -9.504 3.205 7.528 1.00 0.57 H new ATOM 0 HG22 ILE A 143 -10.023 4.649 8.431 1.00 0.57 H new ATOM 0 HG23 ILE A 143 -10.969 3.145 8.538 1.00 0.57 H new ATOM 0 HD11 ILE A 143 -10.842 1.415 4.569 1.00 0.58 H new ATOM 0 HD12 ILE A 143 -9.952 2.952 4.462 1.00 0.58 H new ATOM 0 HD13 ILE A 143 -9.756 1.908 5.890 1.00 0.58 H new ATOM 1738 N HIS A 144 -11.984 5.888 9.411 1.00 0.56 N ATOM 1739 CA HIS A 144 -11.631 6.810 10.486 1.00 0.56 C ATOM 1740 C HIS A 144 -10.179 6.608 10.925 1.00 0.56 C ATOM 1741 O HIS A 144 -9.850 5.571 11.501 1.00 0.63 O ATOM 1742 CB HIS A 144 -12.625 6.537 11.617 1.00 0.68 C ATOM 1743 CG HIS A 144 -12.861 7.686 12.563 1.00 1.02 C ATOM 1744 ND1 HIS A 144 -13.953 8.521 12.542 1.00 1.30 N ATOM 1745 CD2 HIS A 144 -12.094 8.055 13.636 1.00 1.49 C ATOM 1746 CE1 HIS A 144 -13.849 9.380 13.564 1.00 1.68 C ATOM 1747 NE2 HIS A 144 -12.732 9.131 14.274 1.00 1.79 N ATOM 0 H HIS A 144 -12.221 4.959 9.759 1.00 0.56 H new ATOM 0 HA HIS A 144 -11.694 7.850 10.166 1.00 0.56 H new ATOM 0 HB2 HIS A 144 -13.580 6.249 11.177 1.00 0.68 H new ATOM 0 HB3 HIS A 144 -12.269 5.682 12.192 1.00 0.68 H new ATOM 0 HD2 HIS A 144 -11.163 7.599 13.938 1.00 1.49 H new ATOM 0 HE1 HIS A 144 -14.560 10.162 13.787 1.00 1.68 H new ATOM 0 HE2 HIS A 144 -12.413 9.625 15.108 1.00 1.79 H new ATOM 1755 N SER A 145 -9.307 7.593 10.690 1.00 0.54 N ATOM 1756 CA SER A 145 -7.960 7.601 11.255 1.00 0.57 C ATOM 1757 C SER A 145 -8.025 7.516 12.785 1.00 0.54 C ATOM 1758 O SER A 145 -8.688 8.308 13.445 1.00 0.54 O ATOM 1759 CB SER A 145 -7.204 8.845 10.784 1.00 0.58 C ATOM 1760 OG SER A 145 -6.011 9.019 11.536 1.00 0.57 O ATOM 0 H SER A 145 -9.516 8.402 10.105 1.00 0.54 H new ATOM 0 HA SER A 145 -7.413 6.726 10.903 1.00 0.57 H new ATOM 0 HB2 SER A 145 -6.963 8.751 9.725 1.00 0.58 H new ATOM 0 HB3 SER A 145 -7.839 9.725 10.890 1.00 0.58 H new ATOM 0 HG SER A 145 -5.323 8.406 11.204 1.00 0.57 H new ATOM 1766 N ALA A 146 -7.325 6.548 13.363 1.00 0.56 N ATOM 1767 CA ALA A 146 -7.305 6.310 14.806 1.00 0.52 C ATOM 1768 C ALA A 146 -6.470 7.353 15.579 1.00 0.60 C ATOM 1769 O ALA A 146 -6.668 7.514 16.785 1.00 0.69 O ATOM 1770 CB ALA A 146 -6.822 4.876 15.043 1.00 0.49 C ATOM 0 H ALA A 146 -6.745 5.894 12.837 1.00 0.56 H new ATOM 0 HA ALA A 146 -8.314 6.427 15.202 1.00 0.52 H new ATOM 0 HB1 ALA A 146 -6.798 4.672 16.114 1.00 0.49 H new ATOM 0 HB2 ALA A 146 -7.503 4.178 14.556 1.00 0.49 H new ATOM 0 HB3 ALA A 146 -5.821 4.756 14.628 1.00 0.49 H new ATOM 1776 N LEU A 147 -5.588 8.091 14.890 1.00 0.71 N ATOM 1777 CA LEU A 147 -4.729 9.150 15.409 1.00 0.97 C ATOM 1778 C LEU A 147 -5.500 10.411 15.815 1.00 1.23 C ATOM 1779 O LEU A 147 -5.157 11.073 16.795 1.00 1.61 O ATOM 1780 CB LEU A 147 -3.754 9.484 14.277 1.00 0.79 C ATOM 1781 CG LEU A 147 -2.831 8.359 13.800 1.00 0.77 C ATOM 1782 CD1 LEU A 147 -1.733 8.916 12.900 1.00 0.76 C ATOM 1783 CD2 LEU A 147 -2.173 7.668 14.983 1.00 0.98 C ATOM 0 H LEU A 147 -5.451 7.950 13.889 1.00 0.71 H new ATOM 0 HA LEU A 147 -4.232 8.806 16.316 1.00 0.97 H new ATOM 0 HB2 LEU A 147 -4.334 9.832 13.422 1.00 0.79 H new ATOM 0 HB3 LEU A 147 -3.132 10.318 14.601 1.00 0.79 H new ATOM 0 HG LEU A 147 -3.440 7.644 13.247 1.00 0.77 H new ATOM 0 HD11 LEU A 147 -1.086 8.103 12.570 1.00 0.76 H new ATOM 0 HD12 LEU A 147 -2.183 9.397 12.032 1.00 0.76 H new ATOM 0 HD13 LEU A 147 -1.144 9.646 13.454 1.00 0.76 H new ATOM 0 HD21 LEU A 147 -1.521 6.872 14.623 1.00 0.98 H new ATOM 0 HD22 LEU A 147 -1.584 8.392 15.546 1.00 0.98 H new ATOM 0 HD23 LEU A 147 -2.941 7.244 15.630 1.00 0.98 H new ATOM 1795 N LEU A 148 -6.582 10.696 15.090 1.00 1.29 N ATOM 1796 CA LEU A 148 -7.605 11.679 15.447 1.00 1.46 C ATOM 1797 C LEU A 148 -8.163 11.423 16.858 1.00 1.45 C ATOM 1798 O LEU A 148 -8.355 12.355 17.641 1.00 2.05 O ATOM 1799 CB LEU A 148 -8.701 11.587 14.382 1.00 1.63 C ATOM 1800 CG LEU A 148 -8.520 12.553 13.200 1.00 2.24 C ATOM 1801 CD1 LEU A 148 -8.990 13.967 13.547 1.00 3.74 C ATOM 1802 CD2 LEU A 148 -7.101 12.640 12.640 1.00 4.41 C ATOM 0 H LEU A 148 -6.777 10.230 14.204 1.00 1.29 H new ATOM 0 HA LEU A 148 -7.181 12.683 15.472 1.00 1.46 H new ATOM 0 HB2 LEU A 148 -8.735 10.567 14.000 1.00 1.63 H new ATOM 0 HB3 LEU A 148 -9.665 11.783 14.852 1.00 1.63 H new ATOM 0 HG LEU A 148 -9.144 12.116 12.420 1.00 2.24 H new ATOM 0 HD11 LEU A 148 -8.846 14.620 12.686 1.00 3.74 H new ATOM 0 HD12 LEU A 148 -10.047 13.944 13.812 1.00 3.74 H new ATOM 0 HD13 LEU A 148 -8.413 14.346 14.390 1.00 3.74 H new ATOM 0 HD21 LEU A 148 -7.080 13.347 11.811 1.00 4.41 H new ATOM 0 HD22 LEU A 148 -6.421 12.978 13.422 1.00 4.41 H new ATOM 0 HD23 LEU A 148 -6.788 11.657 12.287 1.00 4.41 H new ATOM 1814 N ASP A 149 -8.357 10.148 17.196 1.00 1.40 N ATOM 1815 CA ASP A 149 -9.050 9.657 18.391 1.00 2.08 C ATOM 1816 C ASP A 149 -8.105 9.197 19.522 1.00 2.65 C ATOM 1817 O ASP A 149 -8.483 8.425 20.408 1.00 3.30 O ATOM 1818 CB ASP A 149 -10.046 8.584 17.922 1.00 2.57 C ATOM 1819 CG ASP A 149 -11.132 8.244 18.940 1.00 3.42 C ATOM 1820 OD1 ASP A 149 -11.781 9.177 19.472 1.00 3.08 O ATOM 1821 OD2 ASP A 149 -11.408 7.039 19.157 1.00 4.79 O ATOM 0 H ASP A 149 -8.016 9.385 16.611 1.00 1.40 H new ATOM 0 HA ASP A 149 -9.590 10.474 18.870 1.00 2.08 H new ATOM 0 HB2 ASP A 149 -10.521 8.924 17.002 1.00 2.57 H new ATOM 0 HB3 ASP A 149 -9.495 7.675 17.679 1.00 2.57 H new ATOM 1826 N GLU A 150 -6.862 9.672 19.490 1.00 2.64 N ATOM 1827 CA GLU A 150 -5.742 9.313 20.370 1.00 3.43 C ATOM 1828 C GLU A 150 -5.744 10.015 21.734 1.00 4.35 C ATOM 1829 O GLU A 150 -5.355 9.357 22.725 1.00 5.71 O ATOM 1830 CB GLU A 150 -4.444 9.556 19.583 1.00 3.12 C ATOM 1831 CG GLU A 150 -3.228 9.035 20.345 1.00 3.77 C ATOM 1832 CD GLU A 150 -1.936 9.104 19.527 1.00 3.73 C ATOM 1833 OE1 GLU A 150 -1.423 10.226 19.288 1.00 3.70 O ATOM 1834 OE2 GLU A 150 -1.385 8.035 19.157 1.00 4.64 O ATOM 0 H GLU A 150 -6.586 10.370 18.799 1.00 2.64 H new ATOM 0 HA GLU A 150 -5.840 8.262 20.641 1.00 3.43 H new ATOM 0 HB2 GLU A 150 -4.507 9.063 18.613 1.00 3.12 H new ATOM 0 HB3 GLU A 150 -4.326 10.623 19.392 1.00 3.12 H new ATOM 0 HG2 GLU A 150 -3.104 9.614 21.260 1.00 3.77 H new ATOM 0 HG3 GLU A 150 -3.408 8.002 20.643 1.00 3.77 H new