USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 852 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 77 CYS SG : rot 70:sc= 0.333 USER MOD Set 1.2: A 100 TYR OH : rot 82:sc= 1.33 USER MOD Set 2.1: A 39 CYS SG : rot -167:sc= -7.86! USER MOD Set 2.2: A 63 ASN : amide:sc= -12.2! C(o=-20!,f=-20!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -4.59! C(o=-7.6!,f=-15!) USER MOD Set 3.2: A 36 MET CE :methyl -177:sc= -2.43 (180deg=0) USER MOD Set 3.3: A 52 TYR OH : rot 15:sc= -0.55 USER MOD Set 4.1: A 33 SER OG : rot -86:sc= 0.0591 USER MOD Set 4.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 20 TYR OH : rot 43:sc= -2.35! USER MOD Set 5.2: A 43 HIS : no HE2:sc= -3.63! C(o=-6!,f=-13!) USER MOD Single : A 7 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.9!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -50:sc= -3.32! USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 90:sc= -1.68 USER MOD Single : A 19 ASN : amide:sc= -9.51! C(o=-9.5!,f=-17!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 27 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.8) USER MOD Single : A 29 SER OG : rot 86:sc= 0.0129 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -111:sc= 1.85 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc=-0.00178 (180deg=-0.387) USER MOD Single : A 62 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 86 MET CE :methyl -150:sc=-0.00147 (180deg=-0.253) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= -0.273 (180deg=-1.32!) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 102 GLN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.29) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.119) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.566 12.893 5.394 1.00 0.00 N ATOM 84 CA ASN A 7 3.169 13.565 4.165 1.00 0.00 C ATOM 85 C ASN A 7 3.913 12.965 2.978 1.00 0.00 C ATOM 86 O ASN A 7 3.335 12.744 1.914 1.00 0.00 O ATOM 87 CB ASN A 7 3.482 15.058 4.264 1.00 0.00 C ATOM 88 CG ASN A 7 3.128 15.753 2.954 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.690 15.430 1.906 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.224 16.694 2.949 1.00 0.00 N ATOM 0 HA ASN A 7 2.097 13.430 4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.919 15.502 5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.539 15.202 4.488 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.981 17.164 2.077 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.760 16.960 3.817 1.00 0.00 H new ATOM 97 N MET A 8 5.197 12.698 3.177 1.00 0.00 N ATOM 98 CA MET A 8 6.024 12.126 2.124 1.00 0.00 C ATOM 99 C MET A 8 5.440 10.800 1.649 1.00 0.00 C ATOM 100 O MET A 8 5.323 10.559 0.450 1.00 0.00 O ATOM 101 CB MET A 8 7.445 11.902 2.666 1.00 0.00 C ATOM 102 CG MET A 8 8.340 11.270 1.596 1.00 0.00 C ATOM 103 SD MET A 8 8.413 12.344 0.142 1.00 0.00 S ATOM 104 CE MET A 8 9.330 11.206 -0.925 1.00 0.00 C ATOM 0 H MET A 8 5.687 12.868 4.055 1.00 0.00 H new ATOM 0 HA MET A 8 6.053 12.814 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.871 12.852 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.407 11.256 3.543 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.343 11.113 1.994 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.952 10.291 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.493 11.670 -1.898 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.292 10.974 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.758 10.287 -1.053 1.00 0.00 H new ATOM 114 N LEU A 9 5.072 9.956 2.602 1.00 0.00 N ATOM 115 CA LEU A 9 4.498 8.662 2.292 1.00 0.00 C ATOM 116 C LEU A 9 3.179 8.830 1.565 1.00 0.00 C ATOM 117 O LEU A 9 2.902 8.138 0.587 1.00 0.00 O ATOM 118 CB LEU A 9 4.257 7.904 3.590 1.00 0.00 C ATOM 119 CG LEU A 9 5.585 7.523 4.232 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.322 6.932 5.620 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.339 6.496 3.359 1.00 0.00 C ATOM 0 H LEU A 9 5.163 10.149 3.600 1.00 0.00 H new ATOM 0 HA LEU A 9 5.187 8.111 1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.676 8.520 4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.670 7.007 3.392 1.00 0.00 H new ATOM 0 HG LEU A 9 6.204 8.416 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.269 6.658 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.815 7.671 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.694 6.046 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.285 6.238 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.732 5.598 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.534 6.927 2.377 1.00 0.00 H new ATOM 133 N LEU A 10 2.364 9.747 2.064 1.00 0.00 N ATOM 134 CA LEU A 10 1.059 9.993 1.463 1.00 0.00 C ATOM 135 C LEU A 10 1.238 10.504 0.038 1.00 0.00 C ATOM 136 O LEU A 10 0.615 10.007 -0.900 1.00 0.00 O ATOM 137 CB LEU A 10 0.270 11.011 2.317 1.00 0.00 C ATOM 138 CG LEU A 10 -1.169 11.170 1.791 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.906 9.820 1.857 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.925 12.214 2.639 1.00 0.00 C ATOM 0 H LEU A 10 2.578 10.328 2.874 1.00 0.00 H new ATOM 0 HA LEU A 10 0.493 9.062 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.248 10.681 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.777 11.976 2.300 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.131 11.507 0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.923 9.942 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.380 9.088 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.938 9.473 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.942 12.322 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.956 11.885 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.412 13.174 2.577 1.00 0.00 H new ATOM 152 N GLU A 11 2.107 11.486 -0.106 1.00 0.00 N ATOM 153 CA GLU A 11 2.392 12.076 -1.410 1.00 0.00 C ATOM 154 C GLU A 11 2.859 11.002 -2.372 1.00 0.00 C ATOM 155 O GLU A 11 2.358 10.848 -3.489 1.00 0.00 O ATOM 156 CB GLU A 11 3.517 13.084 -1.227 1.00 0.00 C ATOM 157 CG GLU A 11 3.577 14.018 -2.428 1.00 0.00 C ATOM 158 CD GLU A 11 2.388 14.968 -2.413 1.00 0.00 C ATOM 159 OE1 GLU A 11 1.645 14.939 -1.446 1.00 0.00 O ATOM 160 OE2 GLU A 11 2.242 15.717 -3.364 1.00 0.00 O ATOM 0 H GLU A 11 2.633 11.897 0.665 1.00 0.00 H new ATOM 0 HA GLU A 11 1.495 12.550 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.356 13.660 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.468 12.564 -1.112 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.507 14.587 -2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.576 13.437 -3.350 1.00 0.00 H new ATOM 167 N TRP A 12 3.843 10.288 -1.885 1.00 0.00 N ATOM 168 CA TRP A 12 4.498 9.207 -2.587 1.00 0.00 C ATOM 169 C TRP A 12 3.503 8.105 -2.965 1.00 0.00 C ATOM 170 O TRP A 12 3.309 7.813 -4.143 1.00 0.00 O ATOM 171 CB TRP A 12 5.541 8.717 -1.592 1.00 0.00 C ATOM 172 CG TRP A 12 6.297 7.527 -2.046 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.418 7.540 -2.795 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.042 6.150 -1.705 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.867 6.239 -2.942 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.040 5.343 -2.287 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.034 5.535 -0.954 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.043 3.958 -2.122 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.027 4.143 -0.782 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.032 3.354 -1.365 1.00 0.00 C ATOM 0 H TRP A 12 4.226 10.448 -0.953 1.00 0.00 H new ATOM 0 HA TRP A 12 4.941 9.518 -3.533 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.244 9.526 -1.391 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.046 8.482 -0.649 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.887 8.419 -3.211 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.701 5.974 -3.466 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.257 6.136 -0.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.818 3.357 -2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.246 3.676 -0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.025 2.283 -1.230 1.00 0.00 H new ATOM 191 N CYS A 13 2.867 7.512 -1.963 1.00 0.00 N ATOM 192 CA CYS A 13 1.891 6.449 -2.199 1.00 0.00 C ATOM 193 C CYS A 13 0.827 6.894 -3.213 1.00 0.00 C ATOM 194 O CYS A 13 0.445 6.139 -4.107 1.00 0.00 O ATOM 195 CB CYS A 13 1.226 6.094 -0.862 1.00 0.00 C ATOM 196 SG CYS A 13 -0.063 7.305 -0.477 1.00 0.00 S ATOM 0 H CYS A 13 3.007 7.746 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 13 2.400 5.578 -2.612 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.795 5.094 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.972 6.078 -0.067 1.00 0.00 H new ATOM 0 HG CYS A 13 0.421 8.506 -0.593 1.00 0.00 H new ATOM 202 N ARG A 14 0.369 8.124 -3.048 1.00 0.00 N ATOM 203 CA ARG A 14 -0.655 8.692 -3.935 1.00 0.00 C ATOM 204 C ARG A 14 -0.148 8.712 -5.369 1.00 0.00 C ATOM 205 O ARG A 14 -0.840 8.316 -6.303 1.00 0.00 O ATOM 206 CB ARG A 14 -0.961 10.126 -3.515 1.00 0.00 C ATOM 207 CG ARG A 14 -2.183 10.638 -4.283 1.00 0.00 C ATOM 208 CD ARG A 14 -2.435 12.106 -3.931 1.00 0.00 C ATOM 209 NE ARG A 14 -1.322 12.935 -4.383 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.228 13.334 -5.648 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.800 12.509 -6.563 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.560 14.555 -5.978 1.00 0.00 N ATOM 0 H ARG A 14 0.684 8.755 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.553 8.079 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.149 10.169 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.101 10.765 -3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.020 10.534 -5.356 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.059 10.039 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.361 12.444 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.562 12.212 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.603 13.214 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.537 11.557 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.728 12.816 -7.533 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.892 15.204 -5.264 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.487 14.859 -6.949 1.00 0.00 H new ATOM 226 N ALA A 15 1.068 9.190 -5.524 1.00 0.00 N ATOM 227 CA ALA A 15 1.686 9.284 -6.846 1.00 0.00 C ATOM 228 C ALA A 15 1.597 7.957 -7.599 1.00 0.00 C ATOM 229 O ALA A 15 1.360 7.936 -8.805 1.00 0.00 O ATOM 230 CB ALA A 15 3.153 9.682 -6.697 1.00 0.00 C ATOM 0 H ALA A 15 1.654 9.521 -4.758 1.00 0.00 H new ATOM 0 HA ALA A 15 1.147 10.039 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.613 9.752 -7.683 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.219 10.648 -6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.676 8.930 -6.105 1.00 0.00 H new ATOM 236 N MET A 16 1.793 6.861 -6.882 1.00 0.00 N ATOM 237 CA MET A 16 1.738 5.527 -7.481 1.00 0.00 C ATOM 238 C MET A 16 0.288 5.080 -7.677 1.00 0.00 C ATOM 239 O MET A 16 -0.010 4.284 -8.566 1.00 0.00 O ATOM 240 CB MET A 16 2.483 4.542 -6.579 1.00 0.00 C ATOM 241 CG MET A 16 3.845 5.138 -6.192 1.00 0.00 C ATOM 242 SD MET A 16 4.827 5.471 -7.681 1.00 0.00 S ATOM 243 CE MET A 16 6.182 6.370 -6.873 1.00 0.00 C ATOM 0 H MET A 16 1.992 6.864 -5.882 1.00 0.00 H new ATOM 0 HA MET A 16 2.214 5.555 -8.461 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.896 4.335 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.622 3.592 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.700 6.060 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.381 4.448 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.914 6.674 -7.621 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.785 7.254 -6.374 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.661 5.723 -6.139 1.00 0.00 H new ATOM 253 N THR A 17 -0.605 5.592 -6.835 1.00 0.00 N ATOM 254 CA THR A 17 -2.023 5.234 -6.915 1.00 0.00 C ATOM 255 C THR A 17 -2.723 5.954 -8.074 1.00 0.00 C ATOM 256 O THR A 17 -3.829 5.581 -8.460 1.00 0.00 O ATOM 257 CB THR A 17 -2.721 5.593 -5.586 1.00 0.00 C ATOM 258 OG1 THR A 17 -3.540 4.504 -5.178 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.583 6.850 -5.759 1.00 0.00 C ATOM 0 H THR A 17 -0.377 6.253 -6.092 1.00 0.00 H new ATOM 0 HA THR A 17 -2.090 4.161 -7.096 1.00 0.00 H new ATOM 0 HB THR A 17 -1.964 5.790 -4.827 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.018 3.895 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.069 7.091 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.952 7.684 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.341 6.669 -6.521 1.00 0.00 H new ATOM 267 N ARG A 18 -2.084 6.994 -8.587 1.00 0.00 N ATOM 268 CA ARG A 18 -2.655 7.765 -9.676 1.00 0.00 C ATOM 269 C ARG A 18 -2.877 6.855 -10.878 1.00 0.00 C ATOM 270 O ARG A 18 -4.004 6.636 -11.325 1.00 0.00 O ATOM 271 CB ARG A 18 -1.681 8.876 -10.043 1.00 0.00 C ATOM 272 CG ARG A 18 -2.307 9.744 -11.126 1.00 0.00 C ATOM 273 CD ARG A 18 -1.375 10.901 -11.467 1.00 0.00 C ATOM 274 NE ARG A 18 -2.029 11.788 -12.417 1.00 0.00 N ATOM 275 CZ ARG A 18 -1.399 12.842 -12.913 1.00 0.00 C ATOM 276 NH1 ARG A 18 -0.641 12.709 -13.967 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.535 14.006 -12.346 1.00 0.00 N ATOM 0 H ARG A 18 -1.173 7.321 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.611 8.194 -9.375 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.448 9.478 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.741 8.452 -10.397 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.500 9.146 -12.017 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.269 10.128 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.113 11.450 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.445 10.520 -11.890 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.988 11.595 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.535 11.795 -14.407 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.155 13.519 -14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.126 14.105 -11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.050 14.819 -12.727 1.00 0.00 H new ATOM 291 N ASN A 19 -1.769 6.330 -11.386 1.00 0.00 N ATOM 292 CA ASN A 19 -1.792 5.429 -12.538 1.00 0.00 C ATOM 293 C ASN A 19 -2.986 4.488 -12.444 1.00 0.00 C ATOM 294 O ASN A 19 -3.464 3.963 -13.447 1.00 0.00 O ATOM 295 CB ASN A 19 -0.502 4.606 -12.580 1.00 0.00 C ATOM 296 CG ASN A 19 -0.463 3.628 -11.409 1.00 0.00 C ATOM 297 OD1 ASN A 19 -1.253 3.747 -10.473 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.409 2.660 -11.406 1.00 0.00 N ATOM 0 H ASN A 19 -0.836 6.513 -11.017 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.874 6.025 -13.447 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.441 4.060 -13.521 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.362 5.269 -12.539 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.437 2.001 -10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.064 2.561 -12.182 1.00 0.00 H new ATOM 305 N TYR A 20 -3.449 4.282 -11.217 1.00 0.00 N ATOM 306 CA TYR A 20 -4.582 3.410 -10.947 1.00 0.00 C ATOM 307 C TYR A 20 -5.862 4.224 -10.798 1.00 0.00 C ATOM 308 O TYR A 20 -5.820 5.422 -10.542 1.00 0.00 O ATOM 309 CB TYR A 20 -4.307 2.631 -9.660 1.00 0.00 C ATOM 310 CG TYR A 20 -3.443 1.433 -9.978 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.951 0.409 -10.784 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.149 1.344 -9.463 1.00 0.00 C ATOM 313 CE1 TYR A 20 -3.164 -0.708 -11.073 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.359 0.229 -9.753 1.00 0.00 C ATOM 315 CZ TYR A 20 -1.864 -0.799 -10.559 1.00 0.00 C ATOM 316 OH TYR A 20 -1.090 -1.904 -10.839 1.00 0.00 O ATOM 0 H TYR A 20 -3.050 4.714 -10.384 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.713 2.720 -11.780 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.808 3.272 -8.933 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.245 2.308 -9.209 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.952 0.482 -11.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.759 2.136 -8.841 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.557 -1.501 -11.692 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.357 0.160 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.190 -2.143 -11.784 1.00 0.00 H new ATOM 326 N GLU A 21 -7.003 3.565 -10.982 1.00 0.00 N ATOM 327 CA GLU A 21 -8.300 4.241 -10.882 1.00 0.00 C ATOM 328 C GLU A 21 -9.161 3.599 -9.809 1.00 0.00 C ATOM 329 O GLU A 21 -8.764 2.614 -9.185 1.00 0.00 O ATOM 330 CB GLU A 21 -9.030 4.155 -12.218 1.00 0.00 C ATOM 331 CG GLU A 21 -8.193 4.835 -13.300 1.00 0.00 C ATOM 332 CD GLU A 21 -8.079 6.326 -13.008 1.00 0.00 C ATOM 333 OE1 GLU A 21 -8.912 6.830 -12.273 1.00 0.00 O ATOM 334 OE2 GLU A 21 -7.156 6.939 -13.515 1.00 0.00 O ATOM 0 H GLU A 21 -7.060 2.570 -11.200 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.121 5.284 -10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.207 3.112 -12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.006 4.635 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.200 4.387 -13.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.651 4.681 -14.277 1.00 0.00 H new ATOM 341 N HIS A 22 -10.342 4.174 -9.588 1.00 0.00 N ATOM 342 CA HIS A 22 -11.252 3.656 -8.575 1.00 0.00 C ATOM 343 C HIS A 22 -10.551 3.685 -7.217 1.00 0.00 C ATOM 344 O HIS A 22 -11.089 3.233 -6.205 1.00 0.00 O ATOM 345 CB HIS A 22 -11.704 2.220 -8.968 1.00 0.00 C ATOM 346 CG HIS A 22 -11.752 1.312 -7.768 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.845 1.266 -6.922 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.833 0.440 -7.242 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.560 0.395 -5.940 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.345 -0.137 -6.086 1.00 0.00 N ATOM 0 H HIS A 22 -10.686 4.991 -10.093 1.00 0.00 H new ATOM 0 HA HIS A 22 -12.147 4.275 -8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.688 2.262 -9.434 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.017 1.811 -9.709 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.710 1.797 -7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.860 0.233 -7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.233 0.154 -5.130 1.00 0.00 H new ATOM 358 N VAL A 23 -9.339 4.227 -7.218 1.00 0.00 N ATOM 359 CA VAL A 23 -8.529 4.328 -6.011 1.00 0.00 C ATOM 360 C VAL A 23 -8.170 5.787 -5.752 1.00 0.00 C ATOM 361 O VAL A 23 -7.699 6.489 -6.645 1.00 0.00 O ATOM 362 CB VAL A 23 -7.251 3.504 -6.207 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.243 3.799 -5.098 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.597 2.010 -6.202 1.00 0.00 C ATOM 0 H VAL A 23 -8.892 4.607 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.087 3.947 -5.156 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.805 3.776 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.344 3.204 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.985 4.858 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.680 3.546 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.688 1.425 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.056 1.746 -5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.294 1.795 -7.012 1.00 0.00 H new ATOM 374 N ASP A 24 -8.390 6.228 -4.520 1.00 0.00 N ATOM 375 CA ASP A 24 -8.083 7.606 -4.125 1.00 0.00 C ATOM 376 C ASP A 24 -7.619 7.638 -2.671 1.00 0.00 C ATOM 377 O ASP A 24 -8.416 7.457 -1.754 1.00 0.00 O ATOM 378 CB ASP A 24 -9.317 8.492 -4.292 1.00 0.00 C ATOM 379 CG ASP A 24 -8.933 9.955 -4.098 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.839 10.201 -3.616 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.737 10.808 -4.434 1.00 0.00 O ATOM 0 H ASP A 24 -8.780 5.654 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.287 7.985 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.748 8.348 -5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.081 8.208 -3.568 1.00 0.00 H new ATOM 386 N ILE A 25 -6.320 7.833 -2.472 1.00 0.00 N ATOM 387 CA ILE A 25 -5.755 7.845 -1.125 1.00 0.00 C ATOM 388 C ILE A 25 -5.928 9.200 -0.434 1.00 0.00 C ATOM 389 O ILE A 25 -5.113 10.111 -0.587 1.00 0.00 O ATOM 390 CB ILE A 25 -4.281 7.440 -1.197 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.200 6.076 -1.899 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.705 7.323 0.217 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.744 5.616 -2.020 1.00 0.00 C ATOM 0 H ILE A 25 -5.642 7.984 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.300 7.124 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.710 8.188 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.774 5.338 -1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.649 6.144 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.655 7.034 0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.790 8.284 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.259 6.568 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.709 4.648 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.179 6.345 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.307 5.527 -1.026 1.00 0.00 H new ATOM 405 N GLN A 26 -7.005 9.296 0.351 1.00 0.00 N ATOM 406 CA GLN A 26 -7.325 10.509 1.114 1.00 0.00 C ATOM 407 C GLN A 26 -7.022 10.268 2.586 1.00 0.00 C ATOM 408 O GLN A 26 -6.785 11.200 3.356 1.00 0.00 O ATOM 409 CB GLN A 26 -8.808 10.863 0.949 1.00 0.00 C ATOM 410 CG GLN A 26 -9.093 11.208 -0.514 1.00 0.00 C ATOM 411 CD GLN A 26 -10.578 11.490 -0.698 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.411 10.899 -0.010 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.965 12.358 -1.593 1.00 0.00 N ATOM 0 H GLN A 26 -7.678 8.540 0.476 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.721 11.336 0.741 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.430 10.025 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.064 11.707 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.509 12.078 -0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.788 10.383 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.274 12.847 -2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.959 12.548 -1.723 1.00 0.00 H new ATOM 422 N ASN A 27 -7.012 8.996 2.951 1.00 0.00 N ATOM 423 CA ASN A 27 -6.720 8.581 4.312 1.00 0.00 C ATOM 424 C ASN A 27 -6.190 7.157 4.275 1.00 0.00 C ATOM 425 O ASN A 27 -6.715 6.311 3.551 1.00 0.00 O ATOM 426 CB ASN A 27 -7.981 8.648 5.184 1.00 0.00 C ATOM 427 CG ASN A 27 -8.587 10.048 5.139 1.00 0.00 C ATOM 428 OD1 ASN A 27 -9.512 10.298 4.368 1.00 0.00 O ATOM 429 ND2 ASN A 27 -8.127 10.977 5.931 1.00 0.00 N ATOM 0 H ASN A 27 -7.206 8.224 2.313 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.977 9.251 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.711 7.918 4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.734 8.385 6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.535 11.912 5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.360 10.768 6.570 1.00 0.00 H new ATOM 436 N PHE A 28 -5.150 6.895 5.040 1.00 0.00 N ATOM 437 CA PHE A 28 -4.562 5.567 5.057 1.00 0.00 C ATOM 438 C PHE A 28 -5.571 4.543 5.555 1.00 0.00 C ATOM 439 O PHE A 28 -5.305 3.341 5.568 1.00 0.00 O ATOM 440 CB PHE A 28 -3.333 5.568 5.967 1.00 0.00 C ATOM 441 CG PHE A 28 -2.175 6.224 5.254 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.578 5.581 4.164 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.703 7.473 5.675 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.511 6.184 3.494 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.635 8.075 5.006 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.039 7.433 3.915 1.00 0.00 C ATOM 0 H PHE A 28 -4.697 7.574 5.652 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.268 5.298 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.553 6.102 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.072 4.546 6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.943 4.617 3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.164 7.970 6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.051 5.688 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.269 9.037 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.785 7.901 3.398 1.00 0.00 H new ATOM 456 N SER A 29 -6.717 5.041 5.991 1.00 0.00 N ATOM 457 CA SER A 29 -7.767 4.191 6.551 1.00 0.00 C ATOM 458 C SER A 29 -8.888 3.873 5.561 1.00 0.00 C ATOM 459 O SER A 29 -8.980 2.767 5.033 1.00 0.00 O ATOM 460 CB SER A 29 -8.373 4.905 7.757 1.00 0.00 C ATOM 461 OG SER A 29 -9.438 4.125 8.283 1.00 0.00 O ATOM 0 H SER A 29 -6.949 6.034 5.969 1.00 0.00 H new ATOM 0 HA SER A 29 -7.302 3.243 6.822 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.611 5.062 8.521 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.739 5.889 7.464 1.00 0.00 H new ATOM 0 HG SER A 29 -9.081 3.470 8.918 1.00 0.00 H new ATOM 467 N SER A 30 -9.749 4.847 5.344 1.00 0.00 N ATOM 468 CA SER A 30 -10.901 4.674 4.462 1.00 0.00 C ATOM 469 C SER A 30 -10.499 4.275 3.051 1.00 0.00 C ATOM 470 O SER A 30 -11.145 3.430 2.433 1.00 0.00 O ATOM 471 CB SER A 30 -11.704 5.974 4.392 1.00 0.00 C ATOM 472 OG SER A 30 -12.993 5.697 3.858 1.00 0.00 O ATOM 0 H SER A 30 -9.678 5.773 5.765 1.00 0.00 H new ATOM 0 HA SER A 30 -11.503 3.869 4.884 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.795 6.414 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.187 6.702 3.767 1.00 0.00 H new ATOM 0 HG SER A 30 -13.513 6.526 3.812 1.00 0.00 H new ATOM 478 N SER A 31 -9.462 4.898 2.536 1.00 0.00 N ATOM 479 CA SER A 31 -9.023 4.608 1.181 1.00 0.00 C ATOM 480 C SER A 31 -8.342 3.248 1.099 1.00 0.00 C ATOM 481 O SER A 31 -7.854 2.853 0.041 1.00 0.00 O ATOM 482 CB SER A 31 -8.074 5.697 0.706 1.00 0.00 C ATOM 483 OG SER A 31 -8.724 6.956 0.820 1.00 0.00 O ATOM 0 H SER A 31 -8.909 5.602 3.025 1.00 0.00 H new ATOM 0 HA SER A 31 -9.901 4.582 0.535 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.162 5.688 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.781 5.517 -0.328 1.00 0.00 H new ATOM 0 HG SER A 31 -8.906 7.312 -0.075 1.00 0.00 H new ATOM 489 N TRP A 32 -8.304 2.537 2.225 1.00 0.00 N ATOM 490 CA TRP A 32 -7.670 1.223 2.285 1.00 0.00 C ATOM 491 C TRP A 32 -8.680 0.119 2.600 1.00 0.00 C ATOM 492 O TRP A 32 -8.352 -1.064 2.532 1.00 0.00 O ATOM 493 CB TRP A 32 -6.610 1.263 3.374 1.00 0.00 C ATOM 494 CG TRP A 32 -5.482 2.112 2.929 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.548 3.445 2.755 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.126 1.715 2.604 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.314 3.895 2.327 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.402 2.864 2.231 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.465 0.479 2.598 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.062 2.790 1.868 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.115 0.402 2.224 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.414 1.555 1.865 1.00 0.00 C ATOM 0 H TRP A 32 -8.706 2.850 3.109 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.232 0.998 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.035 1.658 4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.257 0.255 3.591 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.420 4.060 2.922 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.103 4.869 2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.997 -0.417 2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.525 3.685 1.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.615 -0.555 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.373 1.491 1.586 1.00 0.00 H new ATOM 513 N SER A 33 -9.898 0.506 2.964 1.00 0.00 N ATOM 514 CA SER A 33 -10.923 -0.468 3.308 1.00 0.00 C ATOM 515 C SER A 33 -11.188 -1.427 2.151 1.00 0.00 C ATOM 516 O SER A 33 -11.768 -2.494 2.348 1.00 0.00 O ATOM 517 CB SER A 33 -12.219 0.253 3.668 1.00 0.00 C ATOM 518 OG SER A 33 -12.842 0.722 2.481 1.00 0.00 O ATOM 0 H SER A 33 -10.196 1.479 3.028 1.00 0.00 H new ATOM 0 HA SER A 33 -10.565 -1.045 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.888 -0.423 4.201 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.010 1.088 4.337 1.00 0.00 H new ATOM 0 HG SER A 33 -12.471 1.597 2.240 1.00 0.00 H new ATOM 524 N SER A 34 -10.780 -1.045 0.944 1.00 0.00 N ATOM 525 CA SER A 34 -11.004 -1.889 -0.229 1.00 0.00 C ATOM 526 C SER A 34 -9.894 -2.922 -0.402 1.00 0.00 C ATOM 527 O SER A 34 -10.091 -3.945 -1.055 1.00 0.00 O ATOM 528 CB SER A 34 -11.059 -1.014 -1.483 1.00 0.00 C ATOM 529 OG SER A 34 -11.717 0.204 -1.176 1.00 0.00 O ATOM 0 H SER A 34 -10.298 -0.167 0.752 1.00 0.00 H new ATOM 0 HA SER A 34 -11.947 -2.416 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.051 -0.815 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.588 -1.535 -2.281 1.00 0.00 H new ATOM 0 HG SER A 34 -11.752 0.768 -1.977 1.00 0.00 H new ATOM 535 N GLY A 35 -8.722 -2.638 0.150 1.00 0.00 N ATOM 536 CA GLY A 35 -7.592 -3.548 0.005 1.00 0.00 C ATOM 537 C GLY A 35 -6.984 -3.363 -1.374 1.00 0.00 C ATOM 538 O GLY A 35 -5.887 -3.838 -1.663 1.00 0.00 O ATOM 0 H GLY A 35 -8.529 -1.798 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.847 -3.349 0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.919 -4.579 0.137 1.00 0.00 H new ATOM 542 N MET A 36 -7.723 -2.644 -2.209 1.00 0.00 N ATOM 543 CA MET A 36 -7.301 -2.351 -3.566 1.00 0.00 C ATOM 544 C MET A 36 -6.010 -1.542 -3.549 1.00 0.00 C ATOM 545 O MET A 36 -5.217 -1.600 -4.488 1.00 0.00 O ATOM 546 CB MET A 36 -8.403 -1.562 -4.280 1.00 0.00 C ATOM 547 CG MET A 36 -9.728 -2.332 -4.207 1.00 0.00 C ATOM 548 SD MET A 36 -9.702 -3.710 -5.378 1.00 0.00 S ATOM 549 CE MET A 36 -10.529 -2.858 -6.747 1.00 0.00 C ATOM 0 H MET A 36 -8.630 -2.249 -1.962 1.00 0.00 H new ATOM 0 HA MET A 36 -7.121 -3.285 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.517 -0.581 -3.819 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.126 -1.395 -5.321 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.887 -2.706 -3.195 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.560 -1.665 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.669 -3.552 -7.576 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.499 -2.490 -6.414 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.916 -2.019 -7.076 1.00 0.00 H new ATOM 559 N ALA A 37 -5.812 -0.771 -2.481 1.00 0.00 N ATOM 560 CA ALA A 37 -4.614 0.050 -2.364 1.00 0.00 C ATOM 561 C ALA A 37 -3.364 -0.802 -2.117 1.00 0.00 C ATOM 562 O ALA A 37 -2.345 -0.624 -2.782 1.00 0.00 O ATOM 563 CB ALA A 37 -4.785 1.064 -1.232 1.00 0.00 C ATOM 0 H ALA A 37 -6.458 -0.699 -1.695 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.478 0.575 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.885 1.674 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.640 1.705 -1.444 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.951 0.536 -0.293 1.00 0.00 H new ATOM 569 N PHE A 38 -3.433 -1.717 -1.147 1.00 0.00 N ATOM 570 CA PHE A 38 -2.278 -2.561 -0.828 1.00 0.00 C ATOM 571 C PHE A 38 -1.820 -3.347 -2.057 1.00 0.00 C ATOM 572 O PHE A 38 -0.643 -3.676 -2.185 1.00 0.00 O ATOM 573 CB PHE A 38 -2.628 -3.541 0.324 1.00 0.00 C ATOM 574 CG PHE A 38 -1.989 -3.082 1.623 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.599 -2.913 1.702 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.790 -2.822 2.739 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.015 -2.487 2.900 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.204 -2.396 3.937 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.819 -2.228 4.017 1.00 0.00 C ATOM 0 H PHE A 38 -4.261 -1.891 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.463 -1.911 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.710 -3.599 0.444 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.281 -4.544 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.020 -3.111 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.861 -2.950 2.677 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.055 -2.358 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.823 -2.197 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.368 -1.898 4.941 1.00 0.00 H new ATOM 589 N CYS A 39 -2.751 -3.656 -2.944 1.00 0.00 N ATOM 590 CA CYS A 39 -2.413 -4.415 -4.144 1.00 0.00 C ATOM 591 C CYS A 39 -1.870 -3.504 -5.242 1.00 0.00 C ATOM 592 O CYS A 39 -0.880 -3.827 -5.900 1.00 0.00 O ATOM 593 CB CYS A 39 -3.650 -5.146 -4.659 1.00 0.00 C ATOM 594 SG CYS A 39 -4.082 -6.485 -3.523 1.00 0.00 S ATOM 0 H CYS A 39 -3.735 -3.399 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.638 -5.135 -3.879 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.484 -4.450 -4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.459 -5.547 -5.654 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.956 -7.266 -4.085 1.00 0.00 H new ATOM 600 N ALA A 40 -2.544 -2.379 -5.442 1.00 0.00 N ATOM 601 CA ALA A 40 -2.166 -1.421 -6.477 1.00 0.00 C ATOM 602 C ALA A 40 -0.778 -0.822 -6.247 1.00 0.00 C ATOM 603 O ALA A 40 0.002 -0.671 -7.186 1.00 0.00 O ATOM 604 CB ALA A 40 -3.196 -0.294 -6.502 1.00 0.00 C ATOM 0 H ALA A 40 -3.362 -2.105 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.137 -1.955 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.925 0.429 -7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.181 -0.706 -6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.218 0.200 -5.531 1.00 0.00 H new ATOM 610 N LEU A 41 -0.489 -0.466 -5.004 1.00 0.00 N ATOM 611 CA LEU A 41 0.797 0.136 -4.665 1.00 0.00 C ATOM 612 C LEU A 41 1.945 -0.844 -4.924 1.00 0.00 C ATOM 613 O LEU A 41 2.989 -0.471 -5.456 1.00 0.00 O ATOM 614 CB LEU A 41 0.759 0.563 -3.193 1.00 0.00 C ATOM 615 CG LEU A 41 2.083 1.206 -2.763 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.354 2.479 -3.583 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.988 1.565 -1.276 1.00 0.00 C ATOM 0 H LEU A 41 -1.124 -0.582 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 41 0.973 1.008 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.057 1.269 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.553 -0.305 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 41 2.900 0.505 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.297 2.923 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.411 2.225 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.546 3.193 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.922 2.024 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.167 2.265 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.807 0.661 -0.694 1.00 0.00 H new ATOM 629 N ILE A 42 1.736 -2.098 -4.549 1.00 0.00 N ATOM 630 CA ILE A 42 2.745 -3.142 -4.739 1.00 0.00 C ATOM 631 C ILE A 42 2.976 -3.432 -6.225 1.00 0.00 C ATOM 632 O ILE A 42 4.107 -3.667 -6.650 1.00 0.00 O ATOM 633 CB ILE A 42 2.279 -4.422 -4.008 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.554 -4.290 -2.495 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.985 -5.677 -4.545 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.065 -4.153 -2.200 1.00 0.00 C ATOM 0 H ILE A 42 0.875 -2.423 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 42 3.693 -2.799 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 42 1.210 -4.532 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.026 -3.420 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.159 -5.163 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.629 -6.554 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.766 -5.791 -5.607 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.061 -5.577 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.219 -4.062 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.589 -5.035 -2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.454 -3.265 -2.698 1.00 0.00 H new ATOM 648 N HIS A 43 1.893 -3.466 -6.994 1.00 0.00 N ATOM 649 CA HIS A 43 1.977 -3.789 -8.416 1.00 0.00 C ATOM 650 C HIS A 43 2.974 -2.880 -9.136 1.00 0.00 C ATOM 651 O HIS A 43 3.844 -3.352 -9.871 1.00 0.00 O ATOM 652 CB HIS A 43 0.592 -3.620 -9.043 1.00 0.00 C ATOM 653 CG HIS A 43 0.557 -4.266 -10.402 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.547 -3.528 -11.573 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.509 -5.583 -10.789 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.495 -4.395 -12.600 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.470 -5.663 -12.178 1.00 0.00 N ATOM 0 H HIS A 43 0.949 -3.275 -6.659 1.00 0.00 H new ATOM 0 HA HIS A 43 2.322 -4.818 -8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.164 -4.069 -8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.350 -2.561 -9.129 1.00 0.00 H new ATOM 0 HD1 HIS A 43 0.574 -2.511 -11.644 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.503 -6.429 -10.117 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.476 -4.102 -13.639 1.00 0.00 H new ATOM 665 N LYS A 44 2.832 -1.580 -8.923 1.00 0.00 N ATOM 666 CA LYS A 44 3.708 -0.598 -9.559 1.00 0.00 C ATOM 667 C LYS A 44 5.171 -1.030 -9.509 1.00 0.00 C ATOM 668 O LYS A 44 5.955 -0.696 -10.401 1.00 0.00 O ATOM 669 CB LYS A 44 3.556 0.767 -8.852 1.00 0.00 C ATOM 670 CG LYS A 44 2.685 1.718 -9.686 1.00 0.00 C ATOM 671 CD LYS A 44 3.532 2.358 -10.798 1.00 0.00 C ATOM 672 CE LYS A 44 4.221 3.617 -10.265 1.00 0.00 C ATOM 673 NZ LYS A 44 5.101 4.181 -11.319 1.00 0.00 N ATOM 0 H LYS A 44 2.119 -1.177 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 44 3.413 -0.517 -10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.108 0.625 -7.869 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.539 1.211 -8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.848 1.172 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.261 2.493 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.278 1.647 -11.154 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.900 2.611 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.476 4.354 -9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.806 3.377 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.570 5.036 -10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.820 3.478 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.531 4.425 -12.154 1.00 0.00 H new ATOM 687 N PHE A 45 5.534 -1.736 -8.451 1.00 0.00 N ATOM 688 CA PHE A 45 6.911 -2.187 -8.265 1.00 0.00 C ATOM 689 C PHE A 45 7.115 -3.609 -8.779 1.00 0.00 C ATOM 690 O PHE A 45 8.221 -3.978 -9.175 1.00 0.00 O ATOM 691 CB PHE A 45 7.258 -2.117 -6.776 1.00 0.00 C ATOM 692 CG PHE A 45 6.644 -0.879 -6.155 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.599 0.333 -6.864 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.121 -0.944 -4.856 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.034 1.470 -6.272 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.557 0.193 -4.269 1.00 0.00 C ATOM 697 CZ PHE A 45 5.515 1.401 -4.975 1.00 0.00 C ATOM 0 H PHE A 45 4.896 -2.012 -7.704 1.00 0.00 H new ATOM 0 HA PHE A 45 7.569 -1.535 -8.840 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.891 -3.008 -6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.340 -2.099 -6.647 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.000 0.388 -7.865 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.154 -1.874 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.999 2.401 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.153 0.139 -3.269 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.082 2.279 -4.519 1.00 0.00 H new ATOM 707 N PHE A 46 6.061 -4.416 -8.738 1.00 0.00 N ATOM 708 CA PHE A 46 6.147 -5.813 -9.173 1.00 0.00 C ATOM 709 C PHE A 46 5.113 -6.126 -10.269 1.00 0.00 C ATOM 710 O PHE A 46 3.946 -6.347 -9.961 1.00 0.00 O ATOM 711 CB PHE A 46 5.901 -6.686 -7.948 1.00 0.00 C ATOM 712 CG PHE A 46 6.991 -6.411 -6.948 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.226 -7.050 -7.074 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.774 -5.510 -5.901 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.245 -6.792 -6.154 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.793 -5.250 -4.979 1.00 0.00 C ATOM 717 CZ PHE A 46 9.027 -5.892 -5.106 1.00 0.00 C ATOM 0 H PHE A 46 5.138 -4.132 -8.410 1.00 0.00 H new ATOM 0 HA PHE A 46 7.130 -6.008 -9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.925 -6.468 -7.516 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.898 -7.740 -8.227 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.394 -7.745 -7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.819 -5.015 -5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.200 -7.287 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.626 -4.554 -4.170 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.814 -5.693 -4.394 1.00 0.00 H new ATOM 727 N PRO A 47 5.495 -6.146 -11.540 1.00 0.00 N ATOM 728 CA PRO A 47 4.534 -6.445 -12.649 1.00 0.00 C ATOM 729 C PRO A 47 4.188 -7.932 -12.715 1.00 0.00 C ATOM 730 O PRO A 47 3.043 -8.309 -12.966 1.00 0.00 O ATOM 731 CB PRO A 47 5.267 -5.995 -13.939 1.00 0.00 C ATOM 732 CG PRO A 47 6.611 -5.464 -13.510 1.00 0.00 C ATOM 733 CD PRO A 47 6.848 -5.907 -12.068 1.00 0.00 C ATOM 0 HA PRO A 47 3.585 -5.929 -12.505 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.383 -6.830 -14.630 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.696 -5.227 -14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.398 -5.845 -14.161 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.634 -4.377 -13.585 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.459 -6.809 -12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.370 -5.140 -11.496 1.00 0.00 H new ATOM 741 N GLU A 48 5.194 -8.767 -12.477 1.00 0.00 N ATOM 742 CA GLU A 48 4.999 -10.209 -12.510 1.00 0.00 C ATOM 743 C GLU A 48 4.158 -10.615 -11.307 1.00 0.00 C ATOM 744 O GLU A 48 3.894 -11.797 -11.073 1.00 0.00 O ATOM 745 CB GLU A 48 6.358 -10.923 -12.486 1.00 0.00 C ATOM 746 CG GLU A 48 7.162 -10.536 -13.734 1.00 0.00 C ATOM 747 CD GLU A 48 8.509 -11.255 -13.738 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.746 -12.031 -12.829 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.282 -11.019 -14.654 1.00 0.00 O ATOM 0 H GLU A 48 6.146 -8.471 -12.261 1.00 0.00 H new ATOM 0 HA GLU A 48 4.483 -10.496 -13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.909 -10.649 -11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.213 -12.003 -12.454 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.601 -10.795 -14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.317 -9.457 -13.755 1.00 0.00 H new ATOM 756 N ALA A 49 3.751 -9.600 -10.552 1.00 0.00 N ATOM 757 CA ALA A 49 2.943 -9.791 -9.353 1.00 0.00 C ATOM 758 C ALA A 49 1.602 -10.423 -9.666 1.00 0.00 C ATOM 759 O ALA A 49 1.379 -11.611 -9.439 1.00 0.00 O ATOM 760 CB ALA A 49 2.682 -8.444 -8.688 1.00 0.00 C ATOM 0 H ALA A 49 3.971 -8.625 -10.753 1.00 0.00 H new ATOM 0 HA ALA A 49 3.502 -10.455 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.078 -8.591 -7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.631 -7.984 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.150 -7.793 -9.382 1.00 0.00 H new ATOM 766 N PHE A 50 0.718 -9.606 -10.214 1.00 0.00 N ATOM 767 CA PHE A 50 -0.606 -10.048 -10.587 1.00 0.00 C ATOM 768 C PHE A 50 -1.259 -9.005 -11.483 1.00 0.00 C ATOM 769 O PHE A 50 -0.871 -7.836 -11.480 1.00 0.00 O ATOM 770 CB PHE A 50 -1.466 -10.267 -9.335 1.00 0.00 C ATOM 771 CG PHE A 50 -1.200 -9.162 -8.331 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.721 -7.879 -8.543 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.436 -9.425 -7.184 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.478 -6.861 -7.610 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.193 -8.406 -6.253 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.715 -7.125 -6.466 1.00 0.00 C ATOM 0 H PHE A 50 0.901 -8.622 -10.410 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.525 -10.991 -11.127 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.522 -10.279 -9.605 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.239 -11.237 -8.892 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.310 -7.674 -9.425 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.035 -10.414 -7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.880 -5.872 -7.774 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.397 -8.609 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.529 -6.340 -5.748 1.00 0.00 H new ATOM 786 N ASP A 51 -2.273 -9.427 -12.221 1.00 0.00 N ATOM 787 CA ASP A 51 -3.000 -8.516 -13.097 1.00 0.00 C ATOM 788 C ASP A 51 -4.043 -7.760 -12.280 1.00 0.00 C ATOM 789 O ASP A 51 -5.143 -8.261 -12.043 1.00 0.00 O ATOM 790 CB ASP A 51 -3.685 -9.297 -14.220 1.00 0.00 C ATOM 791 CG ASP A 51 -2.665 -9.733 -15.266 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.566 -9.206 -15.252 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.001 -10.588 -16.069 1.00 0.00 O ATOM 0 H ASP A 51 -2.612 -10.389 -12.233 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.300 -7.809 -13.542 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.189 -10.171 -13.808 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.451 -8.678 -14.687 1.00 0.00 H new ATOM 798 N TYR A 52 -3.685 -6.561 -11.832 1.00 0.00 N ATOM 799 CA TYR A 52 -4.584 -5.747 -11.022 1.00 0.00 C ATOM 800 C TYR A 52 -5.846 -5.406 -11.784 1.00 0.00 C ATOM 801 O TYR A 52 -6.866 -5.053 -11.193 1.00 0.00 O ATOM 802 CB TYR A 52 -3.886 -4.447 -10.631 1.00 0.00 C ATOM 803 CG TYR A 52 -4.818 -3.584 -9.803 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.791 -2.797 -10.434 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.713 -3.575 -8.408 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.658 -2.004 -9.668 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.580 -2.782 -7.643 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.551 -1.996 -8.274 1.00 0.00 C ATOM 809 OH TYR A 52 -7.403 -1.215 -7.520 1.00 0.00 O ATOM 0 H TYR A 52 -2.778 -6.131 -12.016 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.849 -6.321 -10.134 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.982 -4.667 -10.064 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.577 -3.907 -11.526 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.873 -2.801 -11.511 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.963 -4.180 -7.920 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.409 -1.399 -10.155 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.499 -2.778 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.157 -0.924 -8.074 1.00 0.00 H new ATOM 819 N ALA A 53 -5.774 -5.513 -13.098 1.00 0.00 N ATOM 820 CA ALA A 53 -6.919 -5.205 -13.938 1.00 0.00 C ATOM 821 C ALA A 53 -7.894 -6.375 -13.974 1.00 0.00 C ATOM 822 O ALA A 53 -9.034 -6.227 -14.410 1.00 0.00 O ATOM 823 CB ALA A 53 -6.442 -4.888 -15.354 1.00 0.00 C ATOM 0 H ALA A 53 -4.940 -5.809 -13.605 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.434 -4.340 -13.521 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.301 -4.657 -15.984 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.770 -4.030 -15.328 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.914 -5.750 -15.762 1.00 0.00 H new ATOM 829 N GLU A 54 -7.435 -7.542 -13.526 1.00 0.00 N ATOM 830 CA GLU A 54 -8.263 -8.736 -13.520 1.00 0.00 C ATOM 831 C GLU A 54 -8.918 -8.922 -12.160 1.00 0.00 C ATOM 832 O GLU A 54 -9.775 -9.791 -11.994 1.00 0.00 O ATOM 833 CB GLU A 54 -7.370 -9.948 -13.817 1.00 0.00 C ATOM 834 CG GLU A 54 -7.603 -10.450 -15.245 1.00 0.00 C ATOM 835 CD GLU A 54 -7.197 -9.374 -16.247 1.00 0.00 C ATOM 836 OE1 GLU A 54 -6.452 -8.487 -15.867 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.640 -9.452 -17.381 1.00 0.00 O ATOM 0 H GLU A 54 -6.492 -7.681 -13.163 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.044 -8.638 -14.274 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.323 -9.676 -13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.582 -10.746 -13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.025 -11.358 -15.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.653 -10.709 -15.382 1.00 0.00 H new ATOM 844 N LEU A 55 -8.498 -8.127 -11.187 1.00 0.00 N ATOM 845 CA LEU A 55 -9.042 -8.232 -9.844 1.00 0.00 C ATOM 846 C LEU A 55 -10.408 -7.574 -9.757 1.00 0.00 C ATOM 847 O LEU A 55 -10.674 -6.574 -10.422 1.00 0.00 O ATOM 848 CB LEU A 55 -8.070 -7.564 -8.875 1.00 0.00 C ATOM 849 CG LEU A 55 -6.797 -8.427 -8.738 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.730 -7.672 -7.922 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.136 -9.772 -8.050 1.00 0.00 C ATOM 0 H LEU A 55 -7.786 -7.406 -11.303 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.167 -9.283 -9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.809 -6.569 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.542 -7.437 -7.901 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.402 -8.630 -9.734 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.837 -8.290 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.477 -6.740 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.120 -7.451 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.231 -10.372 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.546 -9.580 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.870 -10.312 -8.648 1.00 0.00 H new ATOM 863 N ASP A 56 -11.279 -8.162 -8.934 1.00 0.00 N ATOM 864 CA ASP A 56 -12.637 -7.652 -8.753 1.00 0.00 C ATOM 865 C ASP A 56 -12.842 -7.190 -7.300 1.00 0.00 C ATOM 866 O ASP A 56 -12.011 -7.475 -6.435 1.00 0.00 O ATOM 867 CB ASP A 56 -13.637 -8.780 -9.102 1.00 0.00 C ATOM 868 CG ASP A 56 -14.295 -8.520 -10.454 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.731 -8.930 -11.452 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.350 -7.912 -10.463 1.00 0.00 O ATOM 0 H ASP A 56 -11.066 -8.993 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.801 -6.796 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.118 -9.739 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.401 -8.848 -8.327 1.00 0.00 H new ATOM 875 N PRO A 57 -13.930 -6.505 -7.009 1.00 0.00 N ATOM 876 CA PRO A 57 -14.225 -6.035 -5.626 1.00 0.00 C ATOM 877 C PRO A 57 -14.665 -7.203 -4.753 1.00 0.00 C ATOM 878 O PRO A 57 -14.604 -7.144 -3.526 1.00 0.00 O ATOM 879 CB PRO A 57 -15.359 -4.993 -5.790 1.00 0.00 C ATOM 880 CG PRO A 57 -15.670 -4.921 -7.265 1.00 0.00 C ATOM 881 CD PRO A 57 -15.003 -6.125 -7.938 1.00 0.00 C ATOM 0 HA PRO A 57 -13.353 -5.601 -5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -16.241 -5.288 -5.222 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -15.048 -4.019 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.747 -4.938 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.297 -3.989 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.710 -6.941 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.607 -5.864 -8.920 1.00 0.00 H new ATOM 889 N ALA A 58 -15.118 -8.258 -5.417 1.00 0.00 N ATOM 890 CA ALA A 58 -15.581 -9.454 -4.728 1.00 0.00 C ATOM 891 C ALA A 58 -14.411 -10.161 -4.056 1.00 0.00 C ATOM 892 O ALA A 58 -14.504 -10.596 -2.908 1.00 0.00 O ATOM 893 CB ALA A 58 -16.232 -10.399 -5.738 1.00 0.00 C ATOM 0 H ALA A 58 -15.175 -8.309 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.307 -9.167 -3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.580 -11.296 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.078 -9.900 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.503 -10.676 -6.499 1.00 0.00 H new ATOM 899 N LYS A 59 -13.318 -10.277 -4.800 1.00 0.00 N ATOM 900 CA LYS A 59 -12.110 -10.944 -4.314 1.00 0.00 C ATOM 901 C LYS A 59 -11.322 -10.040 -3.363 1.00 0.00 C ATOM 902 O LYS A 59 -10.100 -9.931 -3.473 1.00 0.00 O ATOM 903 CB LYS A 59 -11.227 -11.317 -5.514 1.00 0.00 C ATOM 904 CG LYS A 59 -11.928 -12.383 -6.372 1.00 0.00 C ATOM 905 CD LYS A 59 -11.074 -12.713 -7.605 1.00 0.00 C ATOM 906 CE LYS A 59 -11.844 -13.667 -8.522 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.112 -14.939 -7.795 1.00 0.00 N ATOM 0 H LYS A 59 -13.241 -9.915 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.404 -11.839 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.023 -10.431 -6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.265 -11.694 -5.165 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.093 -13.285 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.908 -12.023 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.824 -11.798 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.133 -13.169 -7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.782 -13.210 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.268 -13.866 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.400 -15.673 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.250 -15.244 -7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.874 -14.789 -7.103 1.00 0.00 H new ATOM 921 N ARG A 60 -12.024 -9.383 -2.443 1.00 0.00 N ATOM 922 CA ARG A 60 -11.368 -8.475 -1.498 1.00 0.00 C ATOM 923 C ARG A 60 -10.428 -9.217 -0.540 1.00 0.00 C ATOM 924 O ARG A 60 -9.242 -8.896 -0.452 1.00 0.00 O ATOM 925 CB ARG A 60 -12.434 -7.716 -0.697 1.00 0.00 C ATOM 926 CG ARG A 60 -11.839 -6.409 -0.171 1.00 0.00 C ATOM 927 CD ARG A 60 -12.894 -5.647 0.626 1.00 0.00 C ATOM 928 NE ARG A 60 -13.242 -6.391 1.829 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.224 -5.989 2.627 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.412 -5.769 2.137 1.00 0.00 N ATOM 931 NH2 ARG A 60 -14.001 -5.819 3.902 1.00 0.00 N ATOM 0 H ARG A 60 -13.035 -9.459 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.761 -7.777 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.298 -7.507 -1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.786 -8.329 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.975 -6.619 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.486 -5.798 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.516 -4.660 0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.783 -5.492 0.014 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.722 -7.237 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.586 -5.906 1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.167 -5.460 2.749 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.072 -5.995 4.285 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.756 -5.510 4.515 1.00 0.00 H new ATOM 945 N ARG A 61 -10.956 -10.195 0.187 1.00 0.00 N ATOM 946 CA ARG A 61 -10.130 -10.940 1.137 1.00 0.00 C ATOM 947 C ARG A 61 -8.856 -11.418 0.461 1.00 0.00 C ATOM 948 O ARG A 61 -7.756 -11.280 1.001 1.00 0.00 O ATOM 949 CB ARG A 61 -10.900 -12.151 1.643 1.00 0.00 C ATOM 950 CG ARG A 61 -11.195 -13.099 0.478 1.00 0.00 C ATOM 951 CD ARG A 61 -12.286 -14.086 0.885 1.00 0.00 C ATOM 952 NE ARG A 61 -11.852 -14.873 2.036 1.00 0.00 N ATOM 953 CZ ARG A 61 -11.145 -15.991 1.884 1.00 0.00 C ATOM 954 NH1 ARG A 61 -9.954 -15.941 1.353 1.00 0.00 N ATOM 955 NH2 ARG A 61 -11.644 -17.135 2.262 1.00 0.00 N ATOM 0 H ARG A 61 -11.932 -10.488 0.141 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.876 -10.283 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.321 -12.669 2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.832 -11.832 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.513 -12.530 -0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.290 -13.637 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.201 -13.547 1.129 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.518 -14.747 0.050 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.095 -14.560 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.566 -15.046 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.411 -16.797 1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.576 -17.174 2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.102 -17.991 2.145 1.00 0.00 H new ATOM 969 N HIS A 62 -9.024 -11.976 -0.725 1.00 0.00 N ATOM 970 CA HIS A 62 -7.910 -12.480 -1.493 1.00 0.00 C ATOM 971 C HIS A 62 -6.962 -11.345 -1.873 1.00 0.00 C ATOM 972 O HIS A 62 -5.756 -11.544 -1.986 1.00 0.00 O ATOM 973 CB HIS A 62 -8.438 -13.157 -2.755 1.00 0.00 C ATOM 974 CG HIS A 62 -9.071 -14.478 -2.397 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.319 -15.616 -2.155 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.382 -14.857 -2.244 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.175 -16.617 -1.874 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.445 -16.207 -1.913 1.00 0.00 N ATOM 0 H HIS A 62 -9.932 -12.090 -1.176 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.359 -13.201 -0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.169 -12.514 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.624 -13.313 -3.463 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.235 -14.206 -2.363 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.871 -17.628 -1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.282 -16.764 -1.738 1.00 0.00 H new ATOM 986 N ASN A 63 -7.525 -10.158 -2.066 1.00 0.00 N ATOM 987 CA ASN A 63 -6.730 -8.981 -2.429 1.00 0.00 C ATOM 988 C ASN A 63 -5.740 -8.653 -1.327 1.00 0.00 C ATOM 989 O ASN A 63 -4.588 -8.310 -1.589 1.00 0.00 O ATOM 990 CB ASN A 63 -7.657 -7.783 -2.645 1.00 0.00 C ATOM 991 CG ASN A 63 -6.996 -6.728 -3.529 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.582 -7.023 -4.650 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.873 -5.507 -3.089 1.00 0.00 N ATOM 0 H ASN A 63 -8.526 -9.981 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.184 -9.197 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.587 -8.117 -3.106 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.918 -7.343 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.434 -4.796 -3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.216 -5.263 -2.160 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.194 -8.767 -0.087 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.313 -8.488 1.036 1.00 0.00 C ATOM 1002 C PHE A 64 -4.235 -9.568 1.120 1.00 0.00 C ATOM 1003 O PHE A 64 -3.042 -9.267 1.126 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.116 -8.419 2.341 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.782 -7.061 2.474 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.033 -5.951 2.892 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.145 -6.912 2.183 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.643 -4.697 3.013 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.753 -5.655 2.307 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.004 -4.550 2.722 1.00 0.00 C ATOM 0 H PHE A 64 -7.143 -9.044 0.163 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.833 -7.521 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.871 -9.205 2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.458 -8.594 3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.984 -6.064 3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.726 -7.765 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.063 -3.843 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.803 -5.540 2.081 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.476 -3.583 2.818 1.00 0.00 H new ATOM 1020 N THR A 65 -4.661 -10.825 1.165 1.00 0.00 N ATOM 1021 CA THR A 65 -3.707 -11.928 1.240 1.00 0.00 C ATOM 1022 C THR A 65 -2.715 -11.820 0.093 1.00 0.00 C ATOM 1023 O THR A 65 -1.516 -12.032 0.267 1.00 0.00 O ATOM 1024 CB THR A 65 -4.422 -13.280 1.152 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.530 -13.294 2.040 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.443 -14.395 1.532 1.00 0.00 C ATOM 0 H THR A 65 -5.642 -11.104 1.151 1.00 0.00 H new ATOM 0 HA THR A 65 -3.189 -11.866 2.197 1.00 0.00 H new ATOM 0 HB THR A 65 -4.778 -13.438 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.986 -14.159 1.980 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.948 -15.359 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.596 -14.385 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.088 -14.236 2.550 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.237 -11.495 -1.082 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.415 -11.366 -2.275 1.00 0.00 C ATOM 1036 C LEU A 66 -1.351 -10.297 -2.091 1.00 0.00 C ATOM 1037 O LEU A 66 -0.180 -10.523 -2.390 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.319 -10.985 -3.445 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.519 -10.822 -4.742 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.955 -12.176 -5.193 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.464 -10.278 -5.815 1.00 0.00 C ATOM 0 H LEU A 66 -4.230 -11.316 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.914 -12.315 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.082 -11.751 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.838 -10.054 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.685 -10.138 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.389 -12.045 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.299 -12.573 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.775 -12.872 -5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.919 -10.152 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.286 -10.978 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.862 -9.315 -5.495 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.758 -9.131 -1.613 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.807 -8.054 -1.426 1.00 0.00 C ATOM 1055 C ALA A 67 0.268 -8.477 -0.447 1.00 0.00 C ATOM 1056 O ALA A 67 1.439 -8.128 -0.597 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.517 -6.812 -0.899 1.00 0.00 C ATOM 0 H ALA A 67 -2.720 -8.912 -1.353 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.348 -7.822 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.792 -6.009 -0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.277 -6.497 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.990 -7.041 0.056 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.139 -9.236 0.560 1.00 0.00 N ATOM 1064 CA PHE A 68 0.795 -9.699 1.567 1.00 0.00 C ATOM 1065 C PHE A 68 1.578 -10.914 1.075 1.00 0.00 C ATOM 1066 O PHE A 68 2.806 -10.920 1.120 1.00 0.00 O ATOM 1067 CB PHE A 68 0.045 -10.030 2.866 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.589 -8.770 3.448 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.215 -7.673 3.797 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.980 -8.699 3.645 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.367 -6.518 4.336 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.557 -7.543 4.184 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.752 -6.453 4.529 1.00 0.00 C ATOM 0 H PHE A 68 -1.103 -9.541 0.698 1.00 0.00 H new ATOM 0 HA PHE A 68 1.510 -8.901 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.726 -10.775 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.733 -10.467 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.284 -7.720 3.650 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.605 -9.539 3.380 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.254 -5.676 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.625 -7.493 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.198 -5.562 4.944 1.00 0.00 H new ATOM 1083 N SER A 69 0.872 -11.935 0.600 1.00 0.00 N ATOM 1084 CA SER A 69 1.540 -13.136 0.108 1.00 0.00 C ATOM 1085 C SER A 69 2.440 -12.809 -1.077 1.00 0.00 C ATOM 1086 O SER A 69 3.464 -13.464 -1.287 1.00 0.00 O ATOM 1087 CB SER A 69 0.515 -14.191 -0.307 1.00 0.00 C ATOM 1088 OG SER A 69 1.198 -15.366 -0.724 1.00 0.00 O ATOM 0 H SER A 69 -0.146 -11.957 0.545 1.00 0.00 H new ATOM 0 HA SER A 69 2.152 -13.531 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.149 -14.418 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.108 -13.811 -1.117 1.00 0.00 H new ATOM 0 HG SER A 69 0.545 -16.047 -0.990 1.00 0.00 H new ATOM 1094 N THR A 70 2.079 -11.778 -1.838 1.00 0.00 N ATOM 1095 CA THR A 70 2.899 -11.373 -2.971 1.00 0.00 C ATOM 1096 C THR A 70 4.089 -10.554 -2.487 1.00 0.00 C ATOM 1097 O THR A 70 5.221 -10.770 -2.918 1.00 0.00 O ATOM 1098 CB THR A 70 2.084 -10.554 -3.974 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.010 -11.341 -4.470 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.991 -10.135 -5.131 1.00 0.00 C ATOM 0 H THR A 70 1.239 -11.218 -1.693 1.00 0.00 H new ATOM 0 HA THR A 70 3.256 -12.274 -3.470 1.00 0.00 H new ATOM 0 HB THR A 70 1.681 -9.667 -3.484 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.190 -11.122 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.417 -9.551 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.814 -9.532 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.390 -11.023 -5.621 1.00 0.00 H new ATOM 1108 N ALA A 71 3.827 -9.608 -1.589 1.00 0.00 N ATOM 1109 CA ALA A 71 4.891 -8.760 -1.062 1.00 0.00 C ATOM 1110 C ALA A 71 5.918 -9.583 -0.292 1.00 0.00 C ATOM 1111 O ALA A 71 7.113 -9.290 -0.335 1.00 0.00 O ATOM 1112 CB ALA A 71 4.309 -7.688 -0.142 1.00 0.00 C ATOM 0 H ALA A 71 2.899 -9.411 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 71 5.386 -8.284 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.115 -7.063 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.607 -7.070 -0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.790 -8.165 0.689 1.00 0.00 H new ATOM 1118 N GLU A 72 5.454 -10.613 0.409 1.00 0.00 N ATOM 1119 CA GLU A 72 6.360 -11.458 1.173 1.00 0.00 C ATOM 1120 C GLU A 72 7.159 -12.372 0.246 1.00 0.00 C ATOM 1121 O GLU A 72 8.371 -12.505 0.373 1.00 0.00 O ATOM 1122 CB GLU A 72 5.572 -12.302 2.183 1.00 0.00 C ATOM 1123 CG GLU A 72 4.995 -11.394 3.276 1.00 0.00 C ATOM 1124 CD GLU A 72 4.111 -12.204 4.221 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.958 -13.390 3.986 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.600 -11.624 5.165 1.00 0.00 O ATOM 0 H GLU A 72 4.471 -10.879 0.463 1.00 0.00 H new ATOM 0 HA GLU A 72 7.056 -10.813 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.767 -12.835 1.677 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.222 -13.055 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.805 -10.926 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.415 -10.590 2.823 1.00 0.00 H new ATOM 1133 N LYS A 73 6.486 -13.021 -0.684 1.00 0.00 N ATOM 1134 CA LYS A 73 7.186 -13.921 -1.580 1.00 0.00 C ATOM 1135 C LYS A 73 8.271 -13.181 -2.361 1.00 0.00 C ATOM 1136 O LYS A 73 9.384 -13.681 -2.519 1.00 0.00 O ATOM 1137 CB LYS A 73 6.187 -14.564 -2.557 1.00 0.00 C ATOM 1138 CG LYS A 73 6.763 -15.859 -3.182 1.00 0.00 C ATOM 1139 CD LYS A 73 7.535 -15.543 -4.471 1.00 0.00 C ATOM 1140 CE LYS A 73 8.049 -16.842 -5.096 1.00 0.00 C ATOM 1141 NZ LYS A 73 8.802 -16.523 -6.344 1.00 0.00 N ATOM 0 H LYS A 73 5.480 -12.946 -0.838 1.00 0.00 H new ATOM 0 HA LYS A 73 7.663 -14.698 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.259 -14.792 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.941 -13.855 -3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.424 -16.351 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.953 -16.555 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.888 -15.021 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.370 -14.878 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.694 -17.367 -4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.215 -17.506 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.153 -17.403 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.172 -16.039 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.606 -15.904 -6.116 1.00 0.00 H new ATOM 1155 N LEU A 74 7.931 -11.998 -2.865 1.00 0.00 N ATOM 1156 CA LEU A 74 8.867 -11.208 -3.652 1.00 0.00 C ATOM 1157 C LEU A 74 9.860 -10.426 -2.790 1.00 0.00 C ATOM 1158 O LEU A 74 11.028 -10.306 -3.163 1.00 0.00 O ATOM 1159 CB LEU A 74 8.085 -10.230 -4.540 1.00 0.00 C ATOM 1160 CG LEU A 74 7.294 -10.994 -5.618 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.386 -10.018 -6.373 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.262 -11.667 -6.619 1.00 0.00 C ATOM 0 H LEU A 74 7.015 -11.567 -2.741 1.00 0.00 H new ATOM 0 HA LEU A 74 9.446 -11.905 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.402 -9.641 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.773 -9.530 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 74 6.692 -11.763 -5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.826 -10.558 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.691 -9.553 -5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.994 -9.247 -6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.689 -12.203 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.875 -10.905 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.906 -12.368 -6.087 1.00 0.00 H new ATOM 1174 N ALA A 75 9.406 -9.853 -1.668 1.00 0.00 N ATOM 1175 CA ALA A 75 10.302 -9.039 -0.831 1.00 0.00 C ATOM 1176 C ALA A 75 10.348 -9.505 0.622 1.00 0.00 C ATOM 1177 O ALA A 75 10.989 -8.860 1.450 1.00 0.00 O ATOM 1178 CB ALA A 75 9.839 -7.581 -0.877 1.00 0.00 C ATOM 0 H ALA A 75 8.449 -9.933 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 75 11.309 -9.147 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.498 -6.970 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.870 -7.222 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.819 -7.511 -0.499 1.00 0.00 H new ATOM 1184 N ASP A 76 9.693 -10.616 0.943 1.00 0.00 N ATOM 1185 CA ASP A 76 9.721 -11.106 2.318 1.00 0.00 C ATOM 1186 C ASP A 76 9.432 -9.959 3.284 1.00 0.00 C ATOM 1187 O ASP A 76 9.972 -9.905 4.389 1.00 0.00 O ATOM 1188 CB ASP A 76 11.095 -11.700 2.608 1.00 0.00 C ATOM 1189 CG ASP A 76 11.068 -12.474 3.921 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.030 -13.029 4.239 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.087 -12.494 4.590 1.00 0.00 O ATOM 0 H ASP A 76 9.150 -11.182 0.291 1.00 0.00 H new ATOM 0 HA ASP A 76 8.958 -11.874 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.393 -12.361 1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.839 -10.905 2.661 1.00 0.00 H new ATOM 1196 N CYS A 77 8.588 -9.039 2.829 1.00 0.00 N ATOM 1197 CA CYS A 77 8.217 -7.860 3.609 1.00 0.00 C ATOM 1198 C CYS A 77 7.765 -8.212 5.029 1.00 0.00 C ATOM 1199 O CYS A 77 7.988 -9.319 5.519 1.00 0.00 O ATOM 1200 CB CYS A 77 7.092 -7.113 2.885 1.00 0.00 C ATOM 1201 SG CYS A 77 5.596 -8.134 2.867 1.00 0.00 S ATOM 0 H CYS A 77 8.142 -9.088 1.913 1.00 0.00 H new ATOM 0 HA CYS A 77 9.104 -7.232 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.891 -6.165 3.384 1.00 0.00 H new ATOM 0 HB3 CYS A 77 7.396 -6.878 1.865 1.00 0.00 H new ATOM 0 HG CYS A 77 5.110 -8.213 4.070 1.00 0.00 H new ATOM 1207 N ALA A 78 7.118 -7.239 5.670 1.00 0.00 N ATOM 1208 CA ALA A 78 6.613 -7.404 7.033 1.00 0.00 C ATOM 1209 C ALA A 78 5.245 -8.086 7.009 1.00 0.00 C ATOM 1210 O ALA A 78 4.624 -8.209 5.955 1.00 0.00 O ATOM 1211 CB ALA A 78 6.500 -6.035 7.713 1.00 0.00 C ATOM 0 H ALA A 78 6.930 -6.322 5.264 1.00 0.00 H new ATOM 0 HA ALA A 78 7.308 -8.028 7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.123 -6.163 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.482 -5.563 7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.814 -5.404 7.148 1.00 0.00 H new ATOM 1217 N GLN A 79 4.782 -8.529 8.178 1.00 0.00 N ATOM 1218 CA GLN A 79 3.486 -9.204 8.290 1.00 0.00 C ATOM 1219 C GLN A 79 2.722 -8.664 9.494 1.00 0.00 C ATOM 1220 O GLN A 79 2.076 -9.419 10.219 1.00 0.00 O ATOM 1221 CB GLN A 79 3.714 -10.706 8.466 1.00 0.00 C ATOM 1222 CG GLN A 79 4.592 -10.938 9.695 1.00 0.00 C ATOM 1223 CD GLN A 79 4.969 -12.411 9.801 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.408 -13.011 8.820 1.00 0.00 O ATOM 1225 NE2 GLN A 79 4.824 -13.034 10.939 1.00 0.00 N ATOM 0 H GLN A 79 5.284 -8.433 9.061 1.00 0.00 H new ATOM 0 HA GLN A 79 2.905 -9.021 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.760 -11.220 8.583 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.192 -11.120 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.493 -10.328 9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.062 -10.625 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.460 -12.535 11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.075 -14.020 11.016 1.00 0.00 H new ATOM 1234 N LEU A 80 2.826 -7.358 9.713 1.00 0.00 N ATOM 1235 CA LEU A 80 2.165 -6.730 10.854 1.00 0.00 C ATOM 1236 C LEU A 80 0.642 -6.710 10.680 1.00 0.00 C ATOM 1237 O LEU A 80 -0.089 -6.495 11.647 1.00 0.00 O ATOM 1238 CB LEU A 80 2.653 -5.278 11.023 1.00 0.00 C ATOM 1239 CG LEU A 80 4.113 -5.127 10.592 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.545 -3.685 10.834 1.00 0.00 C ATOM 1241 CD2 LEU A 80 5.009 -6.059 11.401 1.00 0.00 C ATOM 0 H LEU A 80 3.356 -6.717 9.122 1.00 0.00 H new ATOM 0 HA LEU A 80 2.417 -7.320 11.735 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.026 -4.611 10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.546 -4.975 12.065 1.00 0.00 H new ATOM 0 HG LEU A 80 4.204 -5.384 9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.585 -3.561 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.915 -3.014 10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.445 -3.448 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.044 -5.938 11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.926 -5.815 12.460 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.698 -7.092 11.241 1.00 0.00 H new ATOM 1253 N LEU A 81 0.162 -6.912 9.444 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.294 -6.885 9.168 1.00 0.00 C ATOM 1255 C LEU A 81 -1.837 -8.274 8.833 1.00 0.00 C ATOM 1256 O LEU A 81 -1.168 -9.084 8.188 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.607 -5.955 7.983 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.772 -4.680 8.077 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.137 -3.737 6.927 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.064 -3.985 9.399 1.00 0.00 C ATOM 0 H LEU A 81 0.745 -7.094 8.627 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.773 -6.520 10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.397 -6.467 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.668 -5.704 7.979 1.00 0.00 H new ATOM 0 HG LEU A 81 0.286 -4.937 8.016 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.539 -2.828 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.938 -4.230 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.195 -3.481 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.470 -3.074 9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.123 -3.732 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.809 -4.650 10.224 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.072 -8.523 9.272 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.749 -9.797 9.020 1.00 0.00 C ATOM 1274 C GLU A 82 -4.962 -9.577 8.121 1.00 0.00 C ATOM 1275 O GLU A 82 -5.789 -8.703 8.374 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.189 -10.416 10.342 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.949 -10.804 11.145 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.358 -11.444 12.467 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.547 -11.630 12.668 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.477 -11.747 13.254 1.00 0.00 O ATOM 0 H GLU A 82 -3.627 -7.855 9.807 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.057 -10.474 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.797 -9.708 10.906 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.809 -11.293 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.337 -11.499 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.338 -9.921 11.333 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.046 -10.375 7.067 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.137 -10.275 6.106 1.00 0.00 C ATOM 1289 C VAL A 83 -7.495 -10.230 6.801 1.00 0.00 C ATOM 1290 O VAL A 83 -8.311 -9.344 6.542 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.068 -11.507 5.195 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.300 -11.561 4.276 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.762 -11.467 4.372 1.00 0.00 C ATOM 0 H VAL A 83 -4.366 -11.105 6.854 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.032 -9.352 5.535 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.068 -12.410 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.238 -12.440 3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.204 -11.617 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.333 -10.664 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.713 -12.343 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.744 -10.564 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.906 -11.467 5.047 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.738 -11.204 7.656 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.010 -11.294 8.361 1.00 0.00 C ATOM 1305 C ASP A 84 -9.319 -10.003 9.109 1.00 0.00 C ATOM 1306 O ASP A 84 -10.441 -9.498 9.052 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.961 -12.456 9.350 1.00 0.00 C ATOM 1308 CG ASP A 84 -10.292 -12.569 10.082 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -11.161 -11.754 9.820 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -10.424 -13.473 10.890 1.00 0.00 O ATOM 0 H ASP A 84 -7.075 -11.945 7.882 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.798 -11.460 7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.746 -13.385 8.823 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.154 -12.302 10.066 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.324 -9.472 9.806 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.510 -8.241 10.560 1.00 0.00 C ATOM 1317 C ASP A 85 -8.889 -7.106 9.622 1.00 0.00 C ATOM 1318 O ASP A 85 -9.801 -6.339 9.893 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.219 -7.886 11.297 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.024 -8.816 12.489 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.954 -9.532 12.817 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.944 -8.798 13.058 1.00 0.00 O ATOM 0 H ASP A 85 -7.387 -9.871 9.865 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.312 -8.388 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.370 -7.968 10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.257 -6.851 11.636 1.00 0.00 H new ATOM 1327 N MET A 86 -8.187 -7.014 8.510 1.00 0.00 N ATOM 1328 CA MET A 86 -8.472 -5.973 7.540 1.00 0.00 C ATOM 1329 C MET A 86 -9.877 -6.141 6.985 1.00 0.00 C ATOM 1330 O MET A 86 -10.643 -5.182 6.882 1.00 0.00 O ATOM 1331 CB MET A 86 -7.471 -6.074 6.381 1.00 0.00 C ATOM 1332 CG MET A 86 -6.039 -5.831 6.880 1.00 0.00 C ATOM 1333 SD MET A 86 -5.090 -4.987 5.587 1.00 0.00 S ATOM 1334 CE MET A 86 -5.442 -3.294 6.123 1.00 0.00 C ATOM 0 H MET A 86 -7.423 -7.640 8.256 1.00 0.00 H new ATOM 0 HA MET A 86 -8.390 -5.003 8.030 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.539 -7.059 5.920 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.722 -5.344 5.612 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.055 -5.228 7.788 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.565 -6.779 7.135 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.439 -2.630 5.258 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.420 -3.260 6.603 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.679 -2.971 6.831 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.193 -7.374 6.641 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.489 -7.695 6.080 1.00 0.00 C ATOM 1346 C VAL A 87 -12.624 -7.372 7.046 1.00 0.00 C ATOM 1347 O VAL A 87 -13.566 -6.665 6.688 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.522 -9.191 5.738 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.949 -9.616 5.360 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.575 -9.462 4.558 1.00 0.00 C ATOM 0 H VAL A 87 -9.566 -8.173 6.741 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.634 -7.089 5.186 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.202 -9.765 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.960 -10.679 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.619 -9.427 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.281 -9.044 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.595 -10.524 4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.897 -8.882 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.560 -9.172 4.832 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.524 -7.880 8.268 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.556 -7.663 9.265 1.00 0.00 C ATOM 1362 C ARG A 88 -13.630 -6.200 9.692 1.00 0.00 C ATOM 1363 O ARG A 88 -14.714 -5.638 9.825 1.00 0.00 O ATOM 1364 CB ARG A 88 -13.253 -8.556 10.477 1.00 0.00 C ATOM 1365 CG ARG A 88 -12.198 -7.894 11.361 1.00 0.00 C ATOM 1366 CD ARG A 88 -11.695 -8.876 12.408 1.00 0.00 C ATOM 1367 NE ARG A 88 -12.803 -9.339 13.235 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.138 -8.713 14.358 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -13.199 -7.409 14.389 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -13.400 -9.404 15.433 1.00 0.00 N ATOM 0 H ARG A 88 -11.738 -8.445 8.589 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.524 -7.919 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.164 -8.727 11.050 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.899 -9.531 10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.366 -7.547 10.748 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.622 -7.016 11.849 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.215 -9.725 11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.940 -8.399 13.032 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.332 -10.161 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.989 -6.869 13.550 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.456 -6.931 15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.347 -10.422 15.410 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.657 -8.926 16.296 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.470 -5.607 9.932 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.423 -4.225 10.369 1.00 0.00 C ATOM 1386 C LEU A 89 -13.017 -3.319 9.300 1.00 0.00 C ATOM 1387 O LEU A 89 -13.902 -2.509 9.574 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.965 -3.817 10.628 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.426 -4.507 11.897 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.895 -4.378 11.936 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.018 -3.849 13.158 1.00 0.00 C ATOM 0 H LEU A 89 -11.560 -6.057 9.832 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.002 -4.124 11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.348 -4.087 9.771 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.899 -2.735 10.740 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.714 -5.558 11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.512 -4.865 12.833 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.467 -4.854 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.619 -3.324 11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.628 -4.347 14.046 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.741 -2.795 13.182 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.104 -3.939 13.139 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.485 -3.441 8.091 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.928 -2.596 6.990 1.00 0.00 C ATOM 1405 C ALA A 90 -12.602 -1.154 7.362 1.00 0.00 C ATOM 1406 O ALA A 90 -13.189 -0.204 6.849 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.437 -2.766 6.752 1.00 0.00 C ATOM 0 H ALA A 90 -11.754 -4.110 7.849 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.421 -2.875 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.749 -2.127 5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.652 -3.806 6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.981 -2.485 7.654 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.635 -1.040 8.276 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.161 0.244 8.781 1.00 0.00 C ATOM 1415 C VAL A 91 -9.778 0.063 9.425 1.00 0.00 C ATOM 1416 O VAL A 91 -9.686 -0.158 10.630 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.136 0.788 9.844 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.553 2.057 10.486 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.484 1.126 9.194 1.00 0.00 C ATOM 0 H VAL A 91 -11.158 -1.843 8.687 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.099 0.947 7.950 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.282 0.026 10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.247 2.437 11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.600 1.820 10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.398 2.815 9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.167 1.510 9.952 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.337 1.882 8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.907 0.227 8.746 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.708 0.144 8.665 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.335 -0.015 9.221 1.00 0.00 C ATOM 1431 C PRO A 92 -6.916 1.212 10.027 1.00 0.00 C ATOM 1432 O PRO A 92 -7.714 2.119 10.258 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.424 -0.224 7.988 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.325 -0.188 6.782 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.673 0.393 7.222 1.00 0.00 C ATOM 0 HA PRO A 92 -7.272 -0.853 9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.665 0.556 7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.898 -1.176 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.885 0.423 5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.456 -1.190 6.373 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.742 1.458 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.504 -0.094 6.712 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.652 1.231 10.440 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.117 2.352 11.208 1.00 0.00 C ATOM 1445 C ASP A 93 -3.946 2.988 10.467 1.00 0.00 C ATOM 1446 O ASP A 93 -3.029 2.300 10.020 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.683 1.870 12.592 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.915 1.489 13.411 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.982 1.998 13.109 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.776 0.688 14.320 1.00 0.00 O ATOM 0 H ASP A 93 -4.980 0.485 10.257 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.894 3.107 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.017 1.012 12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.123 2.654 13.102 1.00 0.00 H new ATOM 1455 N SER A 94 -4.005 4.307 10.327 1.00 0.00 N ATOM 1456 CA SER A 94 -2.965 5.046 9.622 1.00 0.00 C ATOM 1457 C SER A 94 -1.589 4.705 10.170 1.00 0.00 C ATOM 1458 O SER A 94 -0.598 4.708 9.438 1.00 0.00 O ATOM 1459 CB SER A 94 -3.214 6.549 9.763 1.00 0.00 C ATOM 1460 OG SER A 94 -4.493 6.863 9.230 1.00 0.00 O ATOM 0 H SER A 94 -4.761 4.886 10.692 1.00 0.00 H new ATOM 0 HA SER A 94 -2.998 4.764 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.162 6.841 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.440 7.109 9.237 1.00 0.00 H new ATOM 0 HG SER A 94 -4.658 7.825 9.320 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.534 4.403 11.453 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.275 4.043 12.081 1.00 0.00 C ATOM 1468 C LYS A 95 0.171 2.664 11.606 1.00 0.00 C ATOM 1469 O LYS A 95 1.346 2.436 11.329 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.438 4.035 13.604 1.00 0.00 C ATOM 1471 CG LYS A 95 0.864 4.490 14.273 1.00 0.00 C ATOM 1472 CD LYS A 95 2.001 3.536 13.894 1.00 0.00 C ATOM 1473 CE LYS A 95 3.177 3.721 14.855 1.00 0.00 C ATOM 1474 NZ LYS A 95 2.730 3.422 16.243 1.00 0.00 N ATOM 0 H LYS A 95 -2.340 4.399 12.078 1.00 0.00 H new ATOM 0 HA LYS A 95 0.481 4.777 11.803 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.255 4.695 13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.701 3.034 13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.109 5.505 13.961 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.740 4.511 15.356 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.650 2.505 13.930 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.323 3.728 12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.998 3.061 14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.554 4.742 14.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.522 3.019 16.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.409 4.299 16.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.946 2.739 16.216 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.781 1.735 11.526 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.465 0.381 11.103 1.00 0.00 C ATOM 1490 C CYS A 96 0.044 0.381 9.667 1.00 0.00 C ATOM 1491 O CYS A 96 1.087 -0.200 9.362 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.714 -0.505 11.204 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.879 -1.136 12.891 1.00 0.00 S ATOM 0 H CYS A 96 -1.764 1.896 11.746 1.00 0.00 H new ATOM 0 HA CYS A 96 0.313 -0.014 11.756 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.601 0.067 10.931 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.641 -1.335 10.501 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.939 -1.884 12.973 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.701 1.044 8.792 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.328 1.126 7.391 1.00 0.00 C ATOM 1501 C VAL A 97 1.009 1.824 7.282 1.00 0.00 C ATOM 1502 O VAL A 97 1.891 1.401 6.544 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.371 1.932 6.615 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.971 2.016 5.140 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.742 1.265 6.743 1.00 0.00 C ATOM 0 H VAL A 97 -1.565 1.531 9.030 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.269 0.120 6.975 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.423 2.939 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.718 2.591 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.001 2.505 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.909 1.011 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.481 1.843 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.694 0.254 6.338 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.029 1.222 7.794 1.00 0.00 H new ATOM 1515 N TYR A 98 1.150 2.901 8.038 1.00 0.00 N ATOM 1516 CA TYR A 98 2.379 3.662 8.024 1.00 0.00 C ATOM 1517 C TYR A 98 3.549 2.772 8.400 1.00 0.00 C ATOM 1518 O TYR A 98 4.560 2.729 7.700 1.00 0.00 O ATOM 1519 CB TYR A 98 2.268 4.814 9.033 1.00 0.00 C ATOM 1520 CG TYR A 98 3.610 5.491 9.187 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.596 4.909 9.994 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.871 6.691 8.521 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.842 5.523 10.131 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.120 7.310 8.662 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.104 6.724 9.466 1.00 0.00 C ATOM 1526 OH TYR A 98 7.336 7.329 9.599 1.00 0.00 O ATOM 0 H TYR A 98 0.431 3.263 8.664 1.00 0.00 H new ATOM 0 HA TYR A 98 2.545 4.059 7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.523 5.535 8.695 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.929 4.434 9.997 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.392 3.983 10.511 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.111 7.141 7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.603 5.071 10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.323 8.239 8.150 1.00 0.00 H new ATOM 0 HH TYR A 98 7.354 8.155 9.071 1.00 0.00 H new ATOM 1536 N THR A 99 3.404 2.063 9.508 1.00 0.00 N ATOM 1537 CA THR A 99 4.465 1.191 9.972 1.00 0.00 C ATOM 1538 C THR A 99 4.805 0.173 8.897 1.00 0.00 C ATOM 1539 O THR A 99 5.979 -0.083 8.625 1.00 0.00 O ATOM 1540 CB THR A 99 4.034 0.465 11.250 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.492 1.404 12.170 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.245 -0.227 11.879 1.00 0.00 C ATOM 0 H THR A 99 2.570 2.075 10.096 1.00 0.00 H new ATOM 0 HA THR A 99 5.346 1.796 10.188 1.00 0.00 H new ATOM 0 HB THR A 99 3.278 -0.281 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.537 1.527 11.987 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.937 -0.743 12.788 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.658 -0.948 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.003 0.517 12.123 1.00 0.00 H new ATOM 1550 N TYR A 100 3.777 -0.399 8.274 1.00 0.00 N ATOM 1551 CA TYR A 100 3.974 -1.382 7.224 1.00 0.00 C ATOM 1552 C TYR A 100 4.730 -0.761 6.056 1.00 0.00 C ATOM 1553 O TYR A 100 5.725 -1.302 5.575 1.00 0.00 O ATOM 1554 CB TYR A 100 2.608 -1.837 6.726 1.00 0.00 C ATOM 1555 CG TYR A 100 2.781 -3.046 5.847 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.050 -2.886 4.486 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.664 -4.326 6.394 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.203 -4.012 3.667 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.817 -5.453 5.578 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.088 -5.296 4.213 1.00 0.00 C ATOM 1561 OH TYR A 100 3.239 -6.406 3.407 1.00 0.00 O ATOM 0 H TYR A 100 2.800 -0.195 8.482 1.00 0.00 H new ATOM 0 HA TYR A 100 4.546 -2.221 7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.961 -2.075 7.570 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.124 -1.034 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.140 -1.895 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.455 -4.446 7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.410 -3.890 2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.726 -6.443 6.001 1.00 0.00 H new ATOM 0 HH TYR A 100 4.193 -6.597 3.288 1.00 0.00 H new ATOM 1571 N ILE A 101 4.232 0.391 5.619 1.00 0.00 N ATOM 1572 CA ILE A 101 4.834 1.118 4.513 1.00 0.00 C ATOM 1573 C ILE A 101 6.269 1.474 4.873 1.00 0.00 C ATOM 1574 O ILE A 101 7.174 1.387 4.043 1.00 0.00 O ATOM 1575 CB ILE A 101 4.024 2.393 4.222 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.649 2.034 3.612 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.792 3.313 3.268 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.797 1.281 2.277 1.00 0.00 C ATOM 0 H ILE A 101 3.408 0.841 6.018 1.00 0.00 H new ATOM 0 HA ILE A 101 4.831 0.495 3.619 1.00 0.00 H new ATOM 0 HB ILE A 101 3.866 2.917 5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.088 1.420 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.072 2.945 3.454 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.203 4.209 3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.743 3.594 3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.977 2.791 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.809 1.046 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.335 1.906 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.351 0.357 2.440 1.00 0.00 H new ATOM 1590 N GLN A 102 6.461 1.879 6.125 1.00 0.00 N ATOM 1591 CA GLN A 102 7.781 2.249 6.616 1.00 0.00 C ATOM 1592 C GLN A 102 8.793 1.154 6.325 1.00 0.00 C ATOM 1593 O GLN A 102 9.791 1.369 5.638 1.00 0.00 O ATOM 1594 CB GLN A 102 7.718 2.464 8.129 1.00 0.00 C ATOM 1595 CG GLN A 102 8.924 3.295 8.573 1.00 0.00 C ATOM 1596 CD GLN A 102 8.922 3.460 10.088 1.00 0.00 C ATOM 1597 OE1 GLN A 102 9.711 4.236 10.629 1.00 0.00 O ATOM 1598 NE2 GLN A 102 8.082 2.774 10.813 1.00 0.00 N ATOM 0 H GLN A 102 5.717 1.959 6.818 1.00 0.00 H new ATOM 0 HA GLN A 102 8.090 3.164 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.792 2.973 8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.714 1.504 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.846 2.809 8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.897 4.273 8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.428 2.131 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.079 2.880 11.827 1.00 0.00 H new ATOM 1607 N GLU A 103 8.536 -0.024 6.876 1.00 0.00 N ATOM 1608 CA GLU A 103 9.442 -1.143 6.683 1.00 0.00 C ATOM 1609 C GLU A 103 9.563 -1.453 5.198 1.00 0.00 C ATOM 1610 O GLU A 103 10.665 -1.628 4.668 1.00 0.00 O ATOM 1611 CB GLU A 103 8.920 -2.366 7.440 1.00 0.00 C ATOM 1612 CG GLU A 103 8.989 -2.109 8.947 1.00 0.00 C ATOM 1613 CD GLU A 103 10.443 -1.998 9.393 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.204 -2.903 9.092 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.776 -1.009 10.025 1.00 0.00 O ATOM 0 H GLU A 103 7.719 -0.227 7.452 1.00 0.00 H new ATOM 0 HA GLU A 103 10.427 -0.884 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.892 -2.577 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.512 -3.244 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.454 -1.191 9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.496 -2.919 9.485 1.00 0.00 H new ATOM 1622 N LEU A 104 8.421 -1.521 4.533 1.00 0.00 N ATOM 1623 CA LEU A 104 8.385 -1.814 3.109 1.00 0.00 C ATOM 1624 C LEU A 104 9.169 -0.777 2.322 1.00 0.00 C ATOM 1625 O LEU A 104 9.962 -1.115 1.447 1.00 0.00 O ATOM 1626 CB LEU A 104 6.932 -1.767 2.659 1.00 0.00 C ATOM 1627 CG LEU A 104 6.797 -2.062 1.158 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.331 -3.465 0.833 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.316 -1.976 0.766 1.00 0.00 C ATOM 0 H LEU A 104 7.505 -1.377 4.957 1.00 0.00 H new ATOM 0 HA LEU A 104 8.829 -2.794 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.351 -2.493 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.514 -0.784 2.877 1.00 0.00 H new ATOM 0 HG LEU A 104 7.379 -1.331 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.227 -3.656 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.383 -3.528 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.763 -4.209 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.209 -2.184 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.745 -2.708 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.941 -0.975 0.980 1.00 0.00 H new ATOM 1641 N TYR A 105 8.940 0.486 2.649 1.00 0.00 N ATOM 1642 CA TYR A 105 9.619 1.580 1.970 1.00 0.00 C ATOM 1643 C TYR A 105 11.110 1.334 1.972 1.00 0.00 C ATOM 1644 O TYR A 105 11.791 1.485 0.958 1.00 0.00 O ATOM 1645 CB TYR A 105 9.330 2.875 2.722 1.00 0.00 C ATOM 1646 CG TYR A 105 10.054 4.027 2.070 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.531 4.610 0.912 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.244 4.513 2.625 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.197 5.679 0.308 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.910 5.584 2.020 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.387 6.166 0.861 1.00 0.00 C ATOM 1652 OH TYR A 105 12.041 7.223 0.264 1.00 0.00 O ATOM 0 H TYR A 105 8.290 0.779 3.379 1.00 0.00 H new ATOM 0 HA TYR A 105 9.265 1.650 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.257 3.068 2.730 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.645 2.779 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.613 4.234 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.647 4.061 3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.793 6.130 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.827 5.961 2.448 1.00 0.00 H new ATOM 0 HH TYR A 105 12.850 7.438 0.774 1.00 0.00 H new ATOM 1662 N ARG A 106 11.607 0.984 3.135 1.00 0.00 N ATOM 1663 CA ARG A 106 13.023 0.738 3.307 1.00 0.00 C ATOM 1664 C ARG A 106 13.496 -0.393 2.408 1.00 0.00 C ATOM 1665 O ARG A 106 14.583 -0.320 1.840 1.00 0.00 O ATOM 1666 CB ARG A 106 13.286 0.424 4.773 1.00 0.00 C ATOM 1667 CG ARG A 106 13.070 1.705 5.585 1.00 0.00 C ATOM 1668 CD ARG A 106 13.260 1.419 7.070 1.00 0.00 C ATOM 1669 NE ARG A 106 14.633 1.003 7.328 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.914 -0.236 7.715 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.588 -0.631 8.913 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.499 -1.057 6.889 1.00 0.00 N ATOM 0 H ARG A 106 11.050 0.862 3.981 1.00 0.00 H new ATOM 0 HA ARG A 106 13.586 1.626 3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.616 -0.363 5.119 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.304 0.057 4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.772 2.473 5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.068 2.094 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 106 13.026 2.310 7.653 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.569 0.639 7.389 1.00 0.00 H new ATOM 0 HE ARG A 106 15.391 1.675 7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.118 0.011 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.803 -1.582 9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.740 -0.748 5.947 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.716 -2.009 7.184 1.00 0.00 H new ATOM 1686 N SER A 107 12.679 -1.428 2.257 1.00 0.00 N ATOM 1687 CA SER A 107 13.057 -2.542 1.393 1.00 0.00 C ATOM 1688 C SER A 107 13.245 -2.049 -0.044 1.00 0.00 C ATOM 1689 O SER A 107 14.176 -2.461 -0.734 1.00 0.00 O ATOM 1690 CB SER A 107 11.989 -3.633 1.431 1.00 0.00 C ATOM 1691 OG SER A 107 12.402 -4.723 0.616 1.00 0.00 O ATOM 0 H SER A 107 11.770 -1.521 2.710 1.00 0.00 H new ATOM 0 HA SER A 107 13.997 -2.959 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.832 -3.969 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.037 -3.239 1.076 1.00 0.00 H new ATOM 0 HG SER A 107 11.719 -5.426 0.639 1.00 0.00 H new ATOM 1697 N LEU A 108 12.350 -1.170 -0.490 1.00 0.00 N ATOM 1698 CA LEU A 108 12.424 -0.626 -1.842 1.00 0.00 C ATOM 1699 C LEU A 108 13.655 0.253 -2.012 1.00 0.00 C ATOM 1700 O LEU A 108 14.257 0.295 -3.086 1.00 0.00 O ATOM 1701 CB LEU A 108 11.194 0.231 -2.148 1.00 0.00 C ATOM 1702 CG LEU A 108 9.899 -0.530 -1.843 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.708 0.418 -2.028 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.747 -1.723 -2.793 1.00 0.00 C ATOM 0 H LEU A 108 11.568 -0.821 0.064 1.00 0.00 H new ATOM 0 HA LEU A 108 12.475 -1.475 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.229 1.146 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.206 0.528 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 108 9.933 -0.897 -0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.782 -0.115 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.807 1.263 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.688 0.781 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.823 -2.254 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.716 -1.367 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.594 -2.398 -2.668 1.00 0.00 H new ATOM 1716 N VAL A 109 14.005 0.986 -0.962 1.00 0.00 N ATOM 1717 CA VAL A 109 15.140 1.890 -1.025 1.00 0.00 C ATOM 1718 C VAL A 109 16.432 1.123 -1.256 1.00 0.00 C ATOM 1719 O VAL A 109 17.220 1.475 -2.132 1.00 0.00 O ATOM 1720 CB VAL A 109 15.219 2.700 0.272 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.539 3.473 0.326 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.054 3.693 0.318 1.00 0.00 C ATOM 0 H VAL A 109 13.521 0.971 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 109 15.003 2.571 -1.865 1.00 0.00 H new ATOM 0 HB VAL A 109 15.165 2.021 1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.587 4.047 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.373 2.772 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.598 4.152 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.106 4.272 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.115 4.366 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.110 3.149 0.284 1.00 0.00 H new ATOM 1732 N GLN A 110 16.642 0.071 -0.476 1.00 0.00 N ATOM 1733 CA GLN A 110 17.847 -0.725 -0.624 1.00 0.00 C ATOM 1734 C GLN A 110 17.826 -1.431 -1.967 1.00 0.00 C ATOM 1735 O GLN A 110 18.807 -1.411 -2.711 1.00 0.00 O ATOM 1736 CB GLN A 110 17.954 -1.761 0.504 1.00 0.00 C ATOM 1737 CG GLN A 110 16.635 -2.549 0.647 1.00 0.00 C ATOM 1738 CD GLN A 110 16.651 -3.418 1.902 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.942 -4.611 1.829 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.342 -2.890 3.056 1.00 0.00 N ATOM 0 H GLN A 110 16.003 -0.245 0.254 1.00 0.00 H new ATOM 0 HA GLN A 110 18.712 -0.064 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.774 -2.449 0.296 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.188 -1.260 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.796 -1.855 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.484 -3.176 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.101 -1.901 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.342 -3.467 3.897 1.00 0.00 H new ATOM 1749 N LYS A 111 16.694 -2.051 -2.266 1.00 0.00 N ATOM 1750 CA LYS A 111 16.538 -2.777 -3.518 1.00 0.00 C ATOM 1751 C LYS A 111 16.832 -1.857 -4.701 1.00 0.00 C ATOM 1752 O LYS A 111 17.262 -2.314 -5.759 1.00 0.00 O ATOM 1753 CB LYS A 111 15.108 -3.343 -3.633 1.00 0.00 C ATOM 1754 CG LYS A 111 15.042 -4.405 -4.746 1.00 0.00 C ATOM 1755 CD LYS A 111 15.578 -5.752 -4.232 1.00 0.00 C ATOM 1756 CE LYS A 111 15.288 -6.852 -5.257 1.00 0.00 C ATOM 1757 NZ LYS A 111 16.057 -6.591 -6.507 1.00 0.00 N ATOM 0 H LYS A 111 15.873 -2.066 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 111 17.246 -3.606 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.806 -3.783 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.407 -2.537 -3.848 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.013 -4.521 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.627 -4.077 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.651 -5.682 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.112 -5.999 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.561 -7.825 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.221 -6.886 -5.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.965 -7.405 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.683 -5.740 -6.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.060 -6.445 -6.274 1.00 0.00 H new ATOM 1771 N GLY A 112 16.585 -0.562 -4.517 1.00 0.00 N ATOM 1772 CA GLY A 112 16.817 0.414 -5.584 1.00 0.00 C ATOM 1773 C GLY A 112 15.581 0.515 -6.460 1.00 0.00 C ATOM 1774 O GLY A 112 15.631 1.000 -7.592 1.00 0.00 O ATOM 0 H GLY A 112 16.227 -0.165 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.051 1.388 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.677 0.115 -6.184 1.00 0.00 H new ATOM 1778 N LEU A 113 14.473 0.055 -5.900 1.00 0.00 N ATOM 1779 CA LEU A 113 13.182 0.085 -6.572 1.00 0.00 C ATOM 1780 C LEU A 113 12.614 1.507 -6.599 1.00 0.00 C ATOM 1781 O LEU A 113 12.061 1.949 -7.606 1.00 0.00 O ATOM 1782 CB LEU A 113 12.223 -0.851 -5.827 1.00 0.00 C ATOM 1783 CG LEU A 113 12.473 -2.314 -6.231 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.650 -3.230 -5.320 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.065 -2.543 -7.703 1.00 0.00 C ATOM 0 H LEU A 113 14.443 -0.351 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 113 13.304 -0.245 -7.604 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.357 -0.737 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.192 -0.577 -6.051 1.00 0.00 H new ATOM 0 HG LEU A 113 13.534 -2.540 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.821 -4.270 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.951 -3.078 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.591 -2.995 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.248 -3.583 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.006 -2.317 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.653 -1.891 -8.349 1.00 0.00 H new ATOM 1797 N VAL A 114 12.742 2.206 -5.476 1.00 0.00 N ATOM 1798 CA VAL A 114 12.227 3.571 -5.367 1.00 0.00 C ATOM 1799 C VAL A 114 12.955 4.514 -6.331 1.00 0.00 C ATOM 1800 O VAL A 114 12.352 5.434 -6.885 1.00 0.00 O ATOM 1801 CB VAL A 114 12.330 4.054 -3.897 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.483 5.583 -3.824 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.058 3.641 -3.124 1.00 0.00 C ATOM 0 H VAL A 114 13.195 1.855 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 114 11.176 3.578 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 114 13.211 3.592 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.553 5.892 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.387 5.884 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.617 6.058 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.133 3.982 -2.091 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.184 4.094 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.958 2.556 -3.142 1.00 0.00 H new