USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= -0.333 K(o=2.9,f=0.86) USER MOD Set 1.2: A 91 THR OG1 : rot -67:sc= 2.07 USER MOD Set 1.3: A 93 GLN : amide:sc= 1.17 K(o=2.9,f=0.86) USER MOD Set 2.1: A 52 SER OG : rot 80:sc= 1.31 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 1.07 K(o=2.4,f=-2.6) USER MOD Set 3.1: A 47 GLN : amide:sc= 0.739 X(o=1.2,f=0.86) USER MOD Set 3.2: A 49 TYR OH : rot 30:sc= 0.464 USER MOD Single : A 10 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.239 F(o=-1.1,f=-0.24) USER MOD Single : A 16 GLN : amide:sc= -0.906 K(o=-0.91,f=-2.1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -0.58 F(o=-1.5,f=-0.58) USER MOD Single : A 34 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0485 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0124) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.00237 X(o=0.0024,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.15 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.79 K(o=1.8,f=-0.18) USER MOD Single : A 96 THR OG1 : rot 124:sc= 1.42 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.0628 (180deg=-0.374) USER MOD Single : A 99 SER OG : rot -160:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.55) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.300 7.797 6.983 1.00 0.00 N ATOM 67 CA GLU A 8 10.906 6.775 6.018 1.00 0.00 C ATOM 68 C GLU A 8 9.763 7.219 5.094 1.00 0.00 C ATOM 69 O GLU A 8 9.755 6.890 3.908 1.00 0.00 O ATOM 70 CB GLU A 8 10.588 5.460 6.738 1.00 0.00 C ATOM 71 CG GLU A 8 9.570 5.538 7.889 1.00 0.00 C ATOM 72 CD GLU A 8 9.364 4.176 8.573 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.418 3.128 7.888 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.120 4.132 9.802 1.00 0.00 O ATOM 0 HA GLU A 8 11.757 6.611 5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.216 4.748 6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.519 5.053 7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.912 6.265 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.616 5.898 7.505 1.00 0.00 H new ATOM 81 N VAL A 9 8.831 8.031 5.595 1.00 0.00 N ATOM 82 CA VAL A 9 7.705 8.537 4.809 1.00 0.00 C ATOM 83 C VAL A 9 8.193 9.397 3.623 1.00 0.00 C ATOM 84 O VAL A 9 7.488 9.520 2.621 1.00 0.00 O ATOM 85 CB VAL A 9 6.715 9.270 5.742 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.301 10.553 6.354 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.398 9.615 5.037 1.00 0.00 C ATOM 0 H VAL A 9 8.836 8.357 6.561 1.00 0.00 H new ATOM 0 HA VAL A 9 7.165 7.705 4.357 1.00 0.00 H new ATOM 0 HB VAL A 9 6.518 8.562 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.557 11.021 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.186 10.305 6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.576 11.244 5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.736 10.129 5.734 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.601 10.263 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.920 8.699 4.691 1.00 0.00 H new ATOM 97 N GLN A 10 9.379 10.020 3.720 1.00 0.00 N ATOM 98 CA GLN A 10 9.936 10.845 2.651 1.00 0.00 C ATOM 99 C GLN A 10 10.646 9.992 1.591 1.00 0.00 C ATOM 100 O GLN A 10 11.063 10.537 0.567 1.00 0.00 O ATOM 101 CB GLN A 10 10.911 11.896 3.209 1.00 0.00 C ATOM 102 CG GLN A 10 10.224 12.971 4.069 1.00 0.00 C ATOM 103 CD GLN A 10 10.686 12.950 5.522 1.00 0.00 C ATOM 104 OE1 GLN A 10 11.872 13.112 5.814 1.00 0.00 O ATOM 105 NE2 GLN A 10 9.771 12.779 6.460 1.00 0.00 N ATOM 0 H GLN A 10 9.975 9.962 4.546 1.00 0.00 H new ATOM 0 HA GLN A 10 9.098 11.357 2.178 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.671 11.394 3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.426 12.380 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.425 13.954 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.145 12.823 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.793 12.646 6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.042 12.780 7.443 1.00 0.00 H new ATOM 114 N LYS A 11 10.845 8.686 1.805 1.00 0.00 N ATOM 115 CA LYS A 11 11.514 7.844 0.818 1.00 0.00 C ATOM 116 C LYS A 11 10.667 7.758 -0.453 1.00 0.00 C ATOM 117 O LYS A 11 9.432 7.782 -0.374 1.00 0.00 O ATOM 118 CB LYS A 11 11.694 6.422 1.367 1.00 0.00 C ATOM 119 CG LYS A 11 12.670 6.277 2.535 1.00 0.00 C ATOM 120 CD LYS A 11 14.137 6.381 2.105 1.00 0.00 C ATOM 121 CE LYS A 11 14.974 5.702 3.188 1.00 0.00 C ATOM 122 NZ LYS A 11 16.400 6.054 3.109 1.00 0.00 N ATOM 0 H LYS A 11 10.552 8.195 2.650 1.00 0.00 H new ATOM 0 HA LYS A 11 12.486 8.285 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.720 6.049 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.032 5.779 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.459 7.048 3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.507 5.315 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.290 5.897 1.140 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.431 7.424 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.589 5.983 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.866 4.621 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.920 5.566 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.779 5.763 2.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.510 7.082 3.220 1.00 0.00 H new ATOM 136 N PRO A 12 11.291 7.660 -1.638 1.00 0.00 N ATOM 137 CA PRO A 12 10.537 7.530 -2.874 1.00 0.00 C ATOM 138 C PRO A 12 9.872 6.149 -2.833 1.00 0.00 C ATOM 139 O PRO A 12 10.356 5.240 -2.157 1.00 0.00 O ATOM 140 CB PRO A 12 11.567 7.662 -3.999 1.00 0.00 C ATOM 141 CG PRO A 12 12.848 7.148 -3.349 1.00 0.00 C ATOM 142 CD PRO A 12 12.721 7.623 -1.902 1.00 0.00 C ATOM 0 HA PRO A 12 9.757 8.277 -3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.291 7.070 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.670 8.694 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.923 6.062 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.736 7.557 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.230 6.944 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.172 8.607 -1.769 1.00 0.00 H new ATOM 150 N LEU A 13 8.791 5.948 -3.586 1.00 0.00 N ATOM 151 CA LEU A 13 8.090 4.663 -3.590 1.00 0.00 C ATOM 152 C LEU A 13 9.019 3.497 -3.966 1.00 0.00 C ATOM 153 O LEU A 13 8.836 2.400 -3.448 1.00 0.00 O ATOM 154 CB LEU A 13 6.843 4.775 -4.489 1.00 0.00 C ATOM 155 CG LEU A 13 6.174 3.447 -4.920 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.678 3.660 -5.157 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.767 2.944 -6.243 1.00 0.00 C ATOM 0 H LEU A 13 8.383 6.654 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 13 7.754 4.428 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.099 5.376 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.121 5.324 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 13 6.346 2.724 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.220 2.718 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.210 4.012 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.536 4.402 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.282 2.010 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.603 3.689 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.837 2.775 -6.121 1.00 0.00 H new ATOM 169 N HIS A 14 10.036 3.715 -4.812 1.00 0.00 N ATOM 170 CA HIS A 14 10.966 2.660 -5.219 1.00 0.00 C ATOM 171 C HIS A 14 11.857 2.153 -4.070 1.00 0.00 C ATOM 172 O HIS A 14 12.578 1.176 -4.252 1.00 0.00 O ATOM 173 CB HIS A 14 11.795 3.103 -6.440 1.00 0.00 C ATOM 174 CG HIS A 14 12.878 4.124 -6.174 1.00 0.00 C ATOM 175 ND1 HIS A 14 14.074 3.871 -5.558 1.00 0.00 N flip ATOM 176 CD2 HIS A 14 12.905 5.436 -6.599 1.00 0.00 C flip ATOM 177 CE1 HIS A 14 14.834 5.047 -5.586 1.00 0.00 C flip ATOM 178 NE2 HIS A 14 14.082 5.962 -6.221 1.00 0.00 N flip ATOM 0 H HIS A 14 10.234 4.624 -5.230 1.00 0.00 H new ATOM 0 HA HIS A 14 10.359 1.803 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.257 2.219 -6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.114 3.512 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 14 12.122 5.948 -7.138 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.824 5.190 -5.179 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.367 6.926 -6.393 1.00 0.00 H new ATOM 186 N GLU A 15 11.862 2.810 -2.908 1.00 0.00 N ATOM 187 CA GLU A 15 12.648 2.437 -1.729 1.00 0.00 C ATOM 188 C GLU A 15 11.765 1.828 -0.641 1.00 0.00 C ATOM 189 O GLU A 15 12.264 1.420 0.409 1.00 0.00 O ATOM 190 CB GLU A 15 13.282 3.712 -1.150 1.00 0.00 C ATOM 191 CG GLU A 15 14.509 4.179 -1.916 1.00 0.00 C ATOM 192 CD GLU A 15 15.661 3.210 -1.715 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.330 3.285 -0.661 1.00 0.00 O ATOM 194 OE2 GLU A 15 15.911 2.365 -2.601 1.00 0.00 O ATOM 0 H GLU A 15 11.299 3.647 -2.756 1.00 0.00 H new ATOM 0 HA GLU A 15 13.397 1.706 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.539 4.509 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.559 3.532 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.274 4.259 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.799 5.174 -1.578 1.00 0.00 H new ATOM 201 N GLN A 16 10.453 1.806 -0.854 1.00 0.00 N ATOM 202 CA GLN A 16 9.527 1.287 0.129 1.00 0.00 C ATOM 203 C GLN A 16 9.575 -0.229 0.219 1.00 0.00 C ATOM 204 O GLN A 16 9.657 -0.936 -0.789 1.00 0.00 O ATOM 205 CB GLN A 16 8.116 1.807 -0.150 1.00 0.00 C ATOM 206 CG GLN A 16 8.055 3.342 -0.106 1.00 0.00 C ATOM 207 CD GLN A 16 8.328 3.948 1.268 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.562 3.267 2.260 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.354 5.262 1.333 1.00 0.00 N ATOM 0 H GLN A 16 10.011 2.146 -1.708 1.00 0.00 H new ATOM 0 HA GLN A 16 9.833 1.652 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.787 1.458 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.425 1.394 0.585 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.779 3.742 -0.816 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.069 3.663 -0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.158 5.818 0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.571 5.725 2.216 1.00 0.00 H new ATOM 218 N LEU A 17 9.440 -0.712 1.453 1.00 0.00 N ATOM 219 CA LEU A 17 9.461 -2.118 1.824 1.00 0.00 C ATOM 220 C LEU A 17 8.358 -2.890 1.114 1.00 0.00 C ATOM 221 O LEU A 17 8.572 -3.978 0.588 1.00 0.00 O ATOM 222 CB LEU A 17 9.239 -2.290 3.341 1.00 0.00 C ATOM 223 CG LEU A 17 10.043 -1.467 4.362 1.00 0.00 C ATOM 224 CD1 LEU A 17 11.552 -1.576 4.126 1.00 0.00 C ATOM 225 CD2 LEU A 17 9.593 -0.001 4.430 1.00 0.00 C ATOM 0 H LEU A 17 9.307 -0.100 2.258 1.00 0.00 H new ATOM 0 HA LEU A 17 10.439 -2.503 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.184 -2.093 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.414 -3.341 3.571 1.00 0.00 H new ATOM 0 HG LEU A 17 9.829 -1.906 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.081 -0.979 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.859 -2.618 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.792 -1.208 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.195 0.531 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.721 0.465 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.543 0.044 4.719 1.00 0.00 H new ATOM 237 N TRP A 18 7.157 -2.312 1.142 1.00 0.00 N ATOM 238 CA TRP A 18 5.959 -2.862 0.545 1.00 0.00 C ATOM 239 C TRP A 18 5.971 -2.792 -0.976 1.00 0.00 C ATOM 240 O TRP A 18 5.069 -3.358 -1.596 1.00 0.00 O ATOM 241 CB TRP A 18 4.747 -2.085 1.082 1.00 0.00 C ATOM 242 CG TRP A 18 4.914 -0.616 1.347 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.135 -0.038 2.550 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.832 0.489 0.398 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.112 1.335 2.412 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.857 1.712 1.118 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.752 0.587 -1.003 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.707 2.953 0.492 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.619 1.828 -1.654 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.569 3.016 -0.903 1.00 0.00 C ATOM 0 H TRP A 18 6.995 -1.415 1.600 1.00 0.00 H new ATOM 0 HA TRP A 18 5.906 -3.917 0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.931 -2.205 0.370 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.432 -2.559 2.012 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.303 -0.569 3.475 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.266 1.990 3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.794 -0.315 -1.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.697 3.859 1.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.555 1.868 -2.731 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.426 3.967 -1.395 1.00 0.00 H new ATOM 261 N TYR A 19 6.900 -2.061 -1.600 1.00 0.00 N ATOM 262 CA TYR A 19 6.927 -1.955 -3.043 1.00 0.00 C ATOM 263 C TYR A 19 7.757 -3.081 -3.638 1.00 0.00 C ATOM 264 O TYR A 19 8.969 -2.959 -3.818 1.00 0.00 O ATOM 265 CB TYR A 19 7.379 -0.571 -3.507 1.00 0.00 C ATOM 266 CG TYR A 19 7.200 -0.423 -5.007 1.00 0.00 C ATOM 267 CD1 TYR A 19 5.922 -0.571 -5.585 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.315 -0.213 -5.832 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.757 -0.522 -6.979 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.153 -0.119 -7.225 1.00 0.00 C ATOM 271 CZ TYR A 19 6.879 -0.290 -7.807 1.00 0.00 C ATOM 272 OH TYR A 19 6.727 -0.285 -9.158 1.00 0.00 O ATOM 0 H TYR A 19 7.635 -1.540 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 19 5.909 -2.068 -3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.804 0.197 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.426 -0.418 -3.244 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.062 -0.723 -4.950 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.299 -0.123 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.779 -0.661 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.008 0.085 -7.853 1.00 0.00 H new ATOM 0 HH TYR A 19 7.592 -0.110 -9.584 1.00 0.00 H new ATOM 282 N HIS A 20 7.093 -4.193 -3.947 1.00 0.00 N ATOM 283 CA HIS A 20 7.759 -5.348 -4.543 1.00 0.00 C ATOM 284 C HIS A 20 8.237 -4.990 -5.957 1.00 0.00 C ATOM 285 O HIS A 20 9.314 -5.409 -6.384 1.00 0.00 O ATOM 286 CB HIS A 20 6.812 -6.551 -4.538 1.00 0.00 C ATOM 287 CG HIS A 20 6.719 -7.208 -3.183 1.00 0.00 C ATOM 288 ND1 HIS A 20 6.173 -6.682 -2.038 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 7.245 -8.443 -2.868 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 6.384 -7.603 -1.015 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 7.041 -8.638 -1.556 1.00 0.00 N flip ATOM 0 H HIS A 20 6.092 -4.318 -3.794 1.00 0.00 H new ATOM 0 HA HIS A 20 8.636 -5.622 -3.957 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.819 -6.229 -4.851 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.155 -7.282 -5.270 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.700 -5.782 -1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.730 -9.126 -3.550 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.077 -7.502 0.016 1.00 0.00 H new ATOM 299 N GLY A 21 7.443 -4.204 -6.691 1.00 0.00 N ATOM 300 CA GLY A 21 7.782 -3.765 -8.034 1.00 0.00 C ATOM 301 C GLY A 21 7.252 -4.669 -9.137 1.00 0.00 C ATOM 302 O GLY A 21 7.764 -5.761 -9.337 1.00 0.00 O ATOM 0 H GLY A 21 6.543 -3.856 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.391 -2.759 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.867 -3.702 -8.121 1.00 0.00 H new ATOM 306 N ALA A 22 6.176 -4.227 -9.795 1.00 0.00 N ATOM 307 CA ALA A 22 5.444 -4.833 -10.916 1.00 0.00 C ATOM 308 C ALA A 22 5.218 -6.365 -10.960 1.00 0.00 C ATOM 309 O ALA A 22 4.851 -6.887 -12.021 1.00 0.00 O ATOM 310 CB ALA A 22 6.048 -4.294 -12.218 1.00 0.00 C ATOM 0 H ALA A 22 5.749 -3.340 -9.528 1.00 0.00 H new ATOM 0 HA ALA A 22 4.412 -4.522 -10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.523 -4.728 -13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.947 -3.209 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.103 -4.562 -12.268 1.00 0.00 H new ATOM 316 N ILE A 23 5.340 -7.073 -9.837 1.00 0.00 N ATOM 317 CA ILE A 23 5.157 -8.522 -9.703 1.00 0.00 C ATOM 318 C ILE A 23 3.761 -8.989 -10.178 1.00 0.00 C ATOM 319 O ILE A 23 2.815 -8.195 -10.131 1.00 0.00 O ATOM 320 CB ILE A 23 5.403 -8.917 -8.223 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.508 -8.135 -7.229 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.879 -8.686 -7.864 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.390 -8.813 -5.860 1.00 0.00 C ATOM 0 H ILE A 23 5.581 -6.631 -8.950 1.00 0.00 H new ATOM 0 HA ILE A 23 5.877 -9.024 -10.349 1.00 0.00 H new ATOM 0 HB ILE A 23 5.143 -9.972 -8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.914 -7.132 -7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.512 -8.022 -7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.048 -8.964 -6.824 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.510 -9.296 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.127 -7.634 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.750 -8.215 -5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.956 -9.806 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.379 -8.902 -5.411 1.00 0.00 H new ATOM 335 N PRO A 24 3.579 -10.259 -10.586 1.00 0.00 N ATOM 336 CA PRO A 24 2.291 -10.791 -11.039 1.00 0.00 C ATOM 337 C PRO A 24 1.379 -11.082 -9.840 1.00 0.00 C ATOM 338 O PRO A 24 1.864 -11.328 -8.731 1.00 0.00 O ATOM 339 CB PRO A 24 2.635 -12.057 -11.818 1.00 0.00 C ATOM 340 CG PRO A 24 3.901 -12.553 -11.124 1.00 0.00 C ATOM 341 CD PRO A 24 4.611 -11.275 -10.694 1.00 0.00 C ATOM 0 HA PRO A 24 1.743 -10.085 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.832 -12.793 -11.768 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.809 -11.847 -12.873 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.665 -13.186 -10.268 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.519 -13.146 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.122 -11.415 -9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.368 -10.986 -11.423 1.00 0.00 H new ATOM 349 N ARG A 25 0.050 -11.089 -10.029 1.00 0.00 N ATOM 350 CA ARG A 25 -0.905 -11.321 -8.930 1.00 0.00 C ATOM 351 C ARG A 25 -0.704 -12.622 -8.160 1.00 0.00 C ATOM 352 O ARG A 25 -1.095 -12.679 -6.992 1.00 0.00 O ATOM 353 CB ARG A 25 -2.359 -11.182 -9.388 1.00 0.00 C ATOM 354 CG ARG A 25 -2.820 -12.225 -10.411 1.00 0.00 C ATOM 355 CD ARG A 25 -4.335 -12.163 -10.611 1.00 0.00 C ATOM 356 NE ARG A 25 -4.754 -11.018 -11.431 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.000 -10.814 -11.864 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.990 -11.610 -11.467 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.288 -9.823 -12.700 1.00 0.00 N ATOM 0 H ARG A 25 -0.391 -10.936 -10.936 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.681 -10.525 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.007 -11.243 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.495 -10.189 -9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.317 -12.054 -11.362 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.534 -13.221 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.673 -13.085 -11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.823 -12.106 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.044 -10.332 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.799 -12.382 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.940 -11.448 -11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.550 -9.199 -13.024 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.248 -9.686 -13.018 1.00 0.00 H new ATOM 373 N ALA A 26 -0.116 -13.648 -8.774 1.00 0.00 N ATOM 374 CA ALA A 26 0.120 -14.909 -8.090 1.00 0.00 C ATOM 375 C ALA A 26 1.051 -14.700 -6.895 1.00 0.00 C ATOM 376 O ALA A 26 0.841 -15.325 -5.859 1.00 0.00 O ATOM 377 CB ALA A 26 0.732 -15.934 -9.053 1.00 0.00 C ATOM 0 H ALA A 26 0.204 -13.626 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.837 -15.289 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.902 -16.872 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.049 -16.105 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.680 -15.554 -9.434 1.00 0.00 H new ATOM 383 N GLU A 27 2.052 -13.821 -7.014 1.00 0.00 N ATOM 384 CA GLU A 27 2.993 -13.591 -5.925 1.00 0.00 C ATOM 385 C GLU A 27 2.347 -12.791 -4.806 1.00 0.00 C ATOM 386 O GLU A 27 2.805 -12.831 -3.677 1.00 0.00 O ATOM 387 CB GLU A 27 4.255 -12.890 -6.434 1.00 0.00 C ATOM 388 CG GLU A 27 5.087 -13.881 -7.253 1.00 0.00 C ATOM 389 CD GLU A 27 6.397 -13.279 -7.753 1.00 0.00 C ATOM 390 OE1 GLU A 27 7.105 -12.591 -6.983 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.765 -13.577 -8.912 1.00 0.00 O ATOM 0 H GLU A 27 2.227 -13.263 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 27 3.282 -14.562 -5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.985 -12.030 -7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.839 -12.513 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.304 -14.758 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.501 -14.224 -8.106 1.00 0.00 H new ATOM 398 N VAL A 28 1.277 -12.056 -5.077 1.00 0.00 N ATOM 399 CA VAL A 28 0.624 -11.288 -4.034 1.00 0.00 C ATOM 400 C VAL A 28 -0.059 -12.238 -3.070 1.00 0.00 C ATOM 401 O VAL A 28 0.118 -12.081 -1.868 1.00 0.00 O ATOM 402 CB VAL A 28 -0.304 -10.269 -4.684 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.395 -9.703 -3.779 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.569 -9.139 -5.205 1.00 0.00 C ATOM 0 H VAL A 28 0.849 -11.977 -6.000 1.00 0.00 H new ATOM 0 HA VAL A 28 1.337 -10.718 -3.438 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.850 -10.788 -5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.998 -8.989 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.030 -10.514 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.937 -9.201 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.058 -8.384 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.114 -8.688 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.278 -9.533 -5.933 1.00 0.00 H new ATOM 414 N ALA A 29 -0.782 -13.244 -3.571 1.00 0.00 N ATOM 415 CA ALA A 29 -1.482 -14.191 -2.706 1.00 0.00 C ATOM 416 C ALA A 29 -0.595 -14.890 -1.663 1.00 0.00 C ATOM 417 O ALA A 29 -1.143 -15.421 -0.694 1.00 0.00 O ATOM 418 CB ALA A 29 -2.166 -15.256 -3.556 1.00 0.00 C ATOM 0 H ALA A 29 -0.896 -13.421 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.202 -13.592 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.687 -15.960 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.883 -14.782 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.418 -15.789 -4.143 1.00 0.00 H new ATOM 424 N GLU A 30 0.723 -14.977 -1.852 1.00 0.00 N ATOM 425 CA GLU A 30 1.617 -15.622 -0.890 1.00 0.00 C ATOM 426 C GLU A 30 2.182 -14.629 0.137 1.00 0.00 C ATOM 427 O GLU A 30 2.516 -15.028 1.248 1.00 0.00 O ATOM 428 CB GLU A 30 2.763 -16.356 -1.617 1.00 0.00 C ATOM 429 CG GLU A 30 3.546 -15.475 -2.597 1.00 0.00 C ATOM 430 CD GLU A 30 4.821 -16.108 -3.156 1.00 0.00 C ATOM 431 OE1 GLU A 30 4.716 -17.110 -3.902 1.00 0.00 O ATOM 432 OE2 GLU A 30 5.931 -15.585 -2.887 1.00 0.00 O ATOM 0 H GLU A 30 1.199 -14.604 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 30 1.021 -16.351 -0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.453 -16.757 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.350 -17.206 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.893 -15.214 -3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.810 -14.544 -2.095 1.00 0.00 H new ATOM 439 N LEU A 31 2.266 -13.343 -0.202 1.00 0.00 N ATOM 440 CA LEU A 31 2.809 -12.291 0.635 1.00 0.00 C ATOM 441 C LEU A 31 1.951 -11.951 1.846 1.00 0.00 C ATOM 442 O LEU A 31 2.495 -11.730 2.927 1.00 0.00 O ATOM 443 CB LEU A 31 3.027 -11.059 -0.266 1.00 0.00 C ATOM 444 CG LEU A 31 4.197 -11.254 -1.247 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.207 -10.110 -2.266 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.538 -11.364 -0.528 1.00 0.00 C ATOM 0 H LEU A 31 1.942 -12.999 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 31 3.747 -12.640 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.115 -10.856 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.219 -10.185 0.357 1.00 0.00 H new ATOM 0 HG LEU A 31 4.049 -12.199 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.036 -10.249 -2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.267 -10.107 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.325 -9.160 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.333 -11.501 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.721 -10.453 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.518 -12.217 0.150 1.00 0.00 H new ATOM 458 N LEU A 32 0.633 -11.826 1.677 1.00 0.00 N ATOM 459 CA LEU A 32 -0.237 -11.486 2.805 1.00 0.00 C ATOM 460 C LEU A 32 -0.464 -12.755 3.611 1.00 0.00 C ATOM 461 O LEU A 32 -0.841 -13.778 3.033 1.00 0.00 O ATOM 462 CB LEU A 32 -1.576 -10.856 2.390 1.00 0.00 C ATOM 463 CG LEU A 32 -1.484 -9.984 1.127 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.895 -10.826 -0.087 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.423 -8.799 1.141 1.00 0.00 C ATOM 0 H LEU A 32 0.151 -11.952 0.787 1.00 0.00 H new ATOM 0 HA LEU A 32 0.260 -10.720 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.304 -11.650 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.952 -10.249 3.213 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.456 -9.624 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.834 -10.218 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.226 -11.681 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.918 -11.178 0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.304 -8.229 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.452 -9.151 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.192 -8.161 1.994 1.00 0.00 H new ATOM 477 N VAL A 33 -0.306 -12.675 4.929 1.00 0.00 N ATOM 478 CA VAL A 33 -0.477 -13.820 5.812 1.00 0.00 C ATOM 479 C VAL A 33 -1.533 -13.588 6.887 1.00 0.00 C ATOM 480 O VAL A 33 -2.185 -14.551 7.297 1.00 0.00 O ATOM 481 CB VAL A 33 0.884 -14.218 6.415 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.724 -14.951 5.362 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.710 -13.044 6.963 1.00 0.00 C ATOM 0 H VAL A 33 -0.056 -11.813 5.413 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.853 -14.650 5.214 1.00 0.00 H new ATOM 0 HB VAL A 33 0.646 -14.859 7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.685 -15.230 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.198 -15.848 5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.887 -14.296 4.506 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.651 -13.418 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.916 -12.337 6.159 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.150 -12.542 7.752 1.00 0.00 H new ATOM 493 N HIS A 34 -1.765 -12.339 7.291 1.00 0.00 N ATOM 494 CA HIS A 34 -2.728 -11.961 8.313 1.00 0.00 C ATOM 495 C HIS A 34 -3.588 -10.787 7.845 1.00 0.00 C ATOM 496 O HIS A 34 -3.305 -10.133 6.839 1.00 0.00 O ATOM 497 CB HIS A 34 -1.970 -11.548 9.583 1.00 0.00 C ATOM 498 CG HIS A 34 -0.849 -12.467 10.001 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.445 -12.071 10.235 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.892 -13.831 10.117 1.00 0.00 C ATOM 501 CE1 HIS A 34 1.168 -13.168 10.489 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.396 -14.268 10.452 1.00 0.00 N ATOM 0 H HIS A 34 -1.268 -11.539 6.899 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.378 -12.813 8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.560 -10.550 9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.684 -11.478 10.404 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.761 -14.456 9.976 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.228 -13.169 10.696 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.689 -15.228 10.632 1.00 0.00 H new ATOM 510 N SER A 35 -4.698 -10.535 8.538 1.00 0.00 N ATOM 511 CA SER A 35 -5.565 -9.419 8.201 1.00 0.00 C ATOM 512 C SER A 35 -4.832 -8.175 8.699 1.00 0.00 C ATOM 513 O SER A 35 -4.379 -8.159 9.847 1.00 0.00 O ATOM 514 CB SER A 35 -6.955 -9.582 8.825 1.00 0.00 C ATOM 515 OG SER A 35 -6.913 -10.259 10.065 1.00 0.00 O ATOM 0 H SER A 35 -5.013 -11.090 9.334 1.00 0.00 H new ATOM 0 HA SER A 35 -5.753 -9.352 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.405 -8.599 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.597 -10.131 8.136 1.00 0.00 H new ATOM 0 HG SER A 35 -7.821 -10.338 10.426 1.00 0.00 H new ATOM 521 N GLY A 36 -4.710 -7.142 7.866 1.00 0.00 N ATOM 522 CA GLY A 36 -4.006 -5.923 8.227 1.00 0.00 C ATOM 523 C GLY A 36 -2.722 -5.791 7.413 1.00 0.00 C ATOM 524 O GLY A 36 -2.135 -4.706 7.404 1.00 0.00 O ATOM 0 H GLY A 36 -5.098 -7.132 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.647 -5.059 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.770 -5.933 9.291 1.00 0.00 H new ATOM 528 N ASP A 37 -2.311 -6.872 6.733 1.00 0.00 N ATOM 529 CA ASP A 37 -1.136 -6.928 5.877 1.00 0.00 C ATOM 530 C ASP A 37 -1.528 -6.334 4.530 1.00 0.00 C ATOM 531 O ASP A 37 -2.584 -6.682 3.984 1.00 0.00 O ATOM 532 CB ASP A 37 -0.693 -8.369 5.567 1.00 0.00 C ATOM 533 CG ASP A 37 0.139 -9.049 6.647 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.871 -8.348 7.389 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.064 -10.295 6.682 1.00 0.00 O ATOM 0 H ASP A 37 -2.812 -7.759 6.772 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.332 -6.402 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.582 -8.972 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.118 -8.362 4.641 1.00 0.00 H new ATOM 540 N PHE A 38 -0.653 -5.505 3.972 1.00 0.00 N ATOM 541 CA PHE A 38 -0.764 -4.834 2.688 1.00 0.00 C ATOM 542 C PHE A 38 0.612 -4.723 1.994 1.00 0.00 C ATOM 543 O PHE A 38 1.654 -4.899 2.630 1.00 0.00 O ATOM 544 CB PHE A 38 -1.369 -3.441 2.943 1.00 0.00 C ATOM 545 CG PHE A 38 -0.400 -2.382 3.431 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.158 -2.226 4.807 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.270 -1.554 2.506 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.777 -1.275 5.248 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.197 -0.599 2.958 1.00 0.00 C ATOM 550 CZ PHE A 38 1.455 -0.461 4.329 1.00 0.00 C ATOM 0 H PHE A 38 0.219 -5.268 4.445 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.404 -5.408 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.827 -3.090 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.169 -3.541 3.677 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.689 -2.836 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.070 -1.654 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.976 -1.170 6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.712 0.030 2.247 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.172 0.268 4.676 1.00 0.00 H new ATOM 560 N LEU A 39 0.623 -4.470 0.677 1.00 0.00 N ATOM 561 CA LEU A 39 1.800 -4.298 -0.194 1.00 0.00 C ATOM 562 C LEU A 39 1.399 -3.508 -1.452 1.00 0.00 C ATOM 563 O LEU A 39 0.207 -3.399 -1.747 1.00 0.00 O ATOM 564 CB LEU A 39 2.491 -5.641 -0.522 1.00 0.00 C ATOM 565 CG LEU A 39 1.943 -6.540 -1.651 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.439 -6.788 -1.602 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.339 -6.073 -3.060 1.00 0.00 C ATOM 0 H LEU A 39 -0.248 -4.373 0.155 1.00 0.00 H new ATOM 0 HA LEU A 39 2.550 -3.719 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.531 -5.420 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.494 -6.235 0.392 1.00 0.00 H new ATOM 0 HG LEU A 39 2.434 -7.492 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.149 -7.429 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.181 -7.275 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.089 -5.837 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.918 -6.753 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.955 -5.067 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.425 -6.067 -3.149 1.00 0.00 H new ATOM 579 N VAL A 40 2.339 -2.947 -2.213 1.00 0.00 N ATOM 580 CA VAL A 40 2.041 -2.179 -3.424 1.00 0.00 C ATOM 581 C VAL A 40 2.767 -2.813 -4.604 1.00 0.00 C ATOM 582 O VAL A 40 3.917 -3.246 -4.503 1.00 0.00 O ATOM 583 CB VAL A 40 2.419 -0.692 -3.256 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.087 0.170 -4.484 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.707 -0.055 -2.052 1.00 0.00 C ATOM 0 H VAL A 40 3.336 -3.013 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 40 0.968 -2.206 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 40 3.499 -0.706 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.380 1.202 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.630 -0.207 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.016 0.127 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.000 0.992 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.628 -0.120 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.988 -0.584 -1.141 1.00 0.00 H new ATOM 595 N ARG A 41 2.083 -2.861 -5.745 1.00 0.00 N ATOM 596 CA ARG A 41 2.600 -3.406 -6.990 1.00 0.00 C ATOM 597 C ARG A 41 2.296 -2.401 -8.098 1.00 0.00 C ATOM 598 O ARG A 41 1.594 -1.419 -7.848 1.00 0.00 O ATOM 599 CB ARG A 41 2.000 -4.799 -7.210 1.00 0.00 C ATOM 600 CG ARG A 41 0.482 -4.732 -7.462 1.00 0.00 C ATOM 601 CD ARG A 41 -0.047 -6.138 -7.701 1.00 0.00 C ATOM 602 NE ARG A 41 -1.455 -6.195 -8.121 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.871 -5.973 -9.374 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.025 -5.600 -10.325 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.148 -6.105 -9.691 1.00 0.00 N ATOM 0 H ARG A 41 1.128 -2.511 -5.827 1.00 0.00 H new ATOM 0 HA ARG A 41 3.681 -3.548 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.489 -5.276 -8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.197 -5.422 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.021 -4.282 -6.607 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.272 -4.100 -8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.566 -6.619 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.070 -6.717 -6.785 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.157 -6.417 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.036 -5.477 -10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.363 -5.436 -11.273 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.825 -6.378 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.456 -5.934 -10.648 1.00 0.00 H new ATOM 619 N GLU A 42 2.814 -2.623 -9.300 1.00 0.00 N ATOM 620 CA GLU A 42 2.627 -1.750 -10.454 1.00 0.00 C ATOM 621 C GLU A 42 1.982 -2.559 -11.574 1.00 0.00 C ATOM 622 O GLU A 42 2.473 -3.630 -11.936 1.00 0.00 O ATOM 623 CB GLU A 42 3.984 -1.141 -10.851 1.00 0.00 C ATOM 624 CG GLU A 42 3.972 -0.458 -12.226 1.00 0.00 C ATOM 625 CD GLU A 42 5.314 0.191 -12.579 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.242 -0.506 -13.058 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.415 1.435 -12.496 1.00 0.00 O ATOM 0 H GLU A 42 3.392 -3.438 -9.505 1.00 0.00 H new ATOM 0 HA GLU A 42 1.961 -0.918 -10.225 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.281 -0.413 -10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.739 -1.927 -10.851 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.717 -1.193 -12.989 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.191 0.302 -12.242 1.00 0.00 H new ATOM 634 N SER A 43 0.853 -2.071 -12.079 1.00 0.00 N ATOM 635 CA SER A 43 0.099 -2.680 -13.160 1.00 0.00 C ATOM 636 C SER A 43 1.000 -2.858 -14.386 1.00 0.00 C ATOM 637 O SER A 43 1.794 -1.979 -14.721 1.00 0.00 O ATOM 638 CB SER A 43 -1.069 -1.729 -13.464 1.00 0.00 C ATOM 639 OG SER A 43 -1.611 -1.867 -14.763 1.00 0.00 O ATOM 0 H SER A 43 0.427 -1.212 -11.732 1.00 0.00 H new ATOM 0 HA SER A 43 -0.273 -3.668 -12.888 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.860 -1.899 -12.733 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.729 -0.702 -13.332 1.00 0.00 H new ATOM 0 HG SER A 43 -2.348 -1.231 -14.879 1.00 0.00 H new ATOM 645 N GLN A 44 0.849 -3.980 -15.089 1.00 0.00 N ATOM 646 CA GLN A 44 1.635 -4.222 -16.294 1.00 0.00 C ATOM 647 C GLN A 44 1.198 -3.172 -17.329 1.00 0.00 C ATOM 648 O GLN A 44 0.019 -2.801 -17.385 1.00 0.00 O ATOM 649 CB GLN A 44 1.464 -5.650 -16.865 1.00 0.00 C ATOM 650 CG GLN A 44 0.625 -6.624 -16.020 1.00 0.00 C ATOM 651 CD GLN A 44 0.443 -8.024 -16.621 1.00 0.00 C ATOM 652 OE1 GLN A 44 0.232 -8.992 -15.897 1.00 0.00 O ATOM 653 NE2 GLN A 44 0.453 -8.176 -17.935 1.00 0.00 N ATOM 0 H GLN A 44 0.197 -4.727 -14.847 1.00 0.00 H new ATOM 0 HA GLN A 44 2.694 -4.138 -16.049 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.008 -5.572 -17.852 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.454 -6.084 -17.005 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.093 -6.725 -15.041 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.360 -6.185 -15.859 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.628 -7.374 -18.540 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.286 -9.096 -18.343 1.00 0.00 H new ATOM 662 N GLY A 45 2.147 -2.668 -18.116 1.00 0.00 N ATOM 663 CA GLY A 45 1.937 -1.689 -19.174 1.00 0.00 C ATOM 664 C GLY A 45 1.309 -0.346 -18.800 1.00 0.00 C ATOM 665 O GLY A 45 0.981 0.406 -19.719 1.00 0.00 O ATOM 0 H GLY A 45 3.125 -2.945 -18.027 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.903 -1.488 -19.638 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.308 -2.151 -19.935 1.00 0.00 H new ATOM 669 N LYS A 46 1.111 0.002 -17.525 1.00 0.00 N ATOM 670 CA LYS A 46 0.501 1.274 -17.136 1.00 0.00 C ATOM 671 C LYS A 46 0.911 1.585 -15.708 1.00 0.00 C ATOM 672 O LYS A 46 0.725 0.720 -14.854 1.00 0.00 O ATOM 673 CB LYS A 46 -1.035 1.123 -17.236 1.00 0.00 C ATOM 674 CG LYS A 46 -1.863 2.285 -16.664 1.00 0.00 C ATOM 675 CD LYS A 46 -1.602 3.617 -17.379 1.00 0.00 C ATOM 676 CE LYS A 46 -2.473 4.755 -16.835 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.906 4.594 -17.155 1.00 0.00 N ATOM 0 H LYS A 46 1.369 -0.590 -16.736 1.00 0.00 H new ATOM 0 HA LYS A 46 0.827 2.086 -17.786 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.300 0.995 -18.285 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.325 0.208 -16.720 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.922 2.040 -16.739 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.636 2.398 -15.604 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.551 3.884 -17.270 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.792 3.497 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.353 4.811 -15.753 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.120 5.702 -17.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.435 5.419 -16.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.025 4.518 -18.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.269 3.732 -16.700 1.00 0.00 H new ATOM 691 N GLN A 47 1.407 2.796 -15.433 1.00 0.00 N ATOM 692 CA GLN A 47 1.807 3.208 -14.091 1.00 0.00 C ATOM 693 C GLN A 47 0.544 3.406 -13.241 1.00 0.00 C ATOM 694 O GLN A 47 0.089 4.525 -13.004 1.00 0.00 O ATOM 695 CB GLN A 47 2.666 4.485 -14.128 1.00 0.00 C ATOM 696 CG GLN A 47 3.394 4.676 -12.782 1.00 0.00 C ATOM 697 CD GLN A 47 3.947 6.084 -12.581 1.00 0.00 C ATOM 698 OE1 GLN A 47 3.967 6.919 -13.477 1.00 0.00 O ATOM 699 NE2 GLN A 47 4.341 6.414 -11.366 1.00 0.00 N ATOM 0 H GLN A 47 1.541 3.518 -16.141 1.00 0.00 H new ATOM 0 HA GLN A 47 2.426 2.431 -13.643 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.393 4.419 -14.937 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.036 5.350 -14.335 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.704 4.446 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.213 3.960 -12.717 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.325 5.720 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.662 7.363 -11.174 1.00 0.00 H new ATOM 708 N GLU A 48 -0.045 2.313 -12.779 1.00 0.00 N ATOM 709 CA GLU A 48 -1.235 2.266 -11.956 1.00 0.00 C ATOM 710 C GLU A 48 -0.857 1.363 -10.797 1.00 0.00 C ATOM 711 O GLU A 48 -0.728 0.146 -10.962 1.00 0.00 O ATOM 712 CB GLU A 48 -2.433 1.774 -12.777 1.00 0.00 C ATOM 713 CG GLU A 48 -3.645 1.423 -11.906 1.00 0.00 C ATOM 714 CD GLU A 48 -4.857 1.144 -12.787 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.456 2.136 -13.264 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.175 -0.043 -13.041 1.00 0.00 O ATOM 0 H GLU A 48 0.320 1.383 -12.983 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.554 3.239 -11.582 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.717 2.544 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.138 0.896 -13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.422 0.550 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.863 2.244 -11.223 1.00 0.00 H new ATOM 723 N TYR A 49 -0.560 1.978 -9.657 1.00 0.00 N ATOM 724 CA TYR A 49 -0.192 1.229 -8.475 1.00 0.00 C ATOM 725 C TYR A 49 -1.444 0.538 -7.939 1.00 0.00 C ATOM 726 O TYR A 49 -2.555 1.074 -8.030 1.00 0.00 O ATOM 727 CB TYR A 49 0.485 2.146 -7.458 1.00 0.00 C ATOM 728 CG TYR A 49 1.777 2.749 -7.969 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.867 1.913 -8.283 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.883 4.139 -8.155 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.055 2.458 -8.794 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.077 4.698 -8.637 1.00 0.00 C ATOM 733 CZ TYR A 49 4.161 3.855 -8.966 1.00 0.00 C ATOM 734 OH TYR A 49 5.295 4.407 -9.465 1.00 0.00 O ATOM 0 H TYR A 49 -0.569 2.990 -9.533 1.00 0.00 H new ATOM 0 HA TYR A 49 0.541 0.456 -8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.201 2.948 -7.188 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.689 1.581 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.788 0.847 -8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.043 4.778 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.882 1.813 -9.054 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.166 5.768 -8.756 1.00 0.00 H new ATOM 0 HH TYR A 49 5.727 3.772 -10.074 1.00 0.00 H new ATOM 744 N VAL A 50 -1.268 -0.646 -7.359 1.00 0.00 N ATOM 745 CA VAL A 50 -2.367 -1.434 -6.825 1.00 0.00 C ATOM 746 C VAL A 50 -2.045 -1.794 -5.389 1.00 0.00 C ATOM 747 O VAL A 50 -0.968 -2.321 -5.101 1.00 0.00 O ATOM 748 CB VAL A 50 -2.642 -2.681 -7.695 1.00 0.00 C ATOM 749 CG1 VAL A 50 -4.100 -3.131 -7.516 1.00 0.00 C ATOM 750 CG2 VAL A 50 -2.337 -2.449 -9.184 1.00 0.00 C ATOM 0 H VAL A 50 -0.354 -1.085 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.287 -0.849 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.966 -3.466 -7.354 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.288 -4.010 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.279 -3.376 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.769 -2.326 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.549 -3.359 -9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.959 -1.637 -9.561 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.286 -2.186 -9.303 1.00 0.00 H new ATOM 760 N LEU A 51 -2.985 -1.480 -4.506 1.00 0.00 N ATOM 761 CA LEU A 51 -2.923 -1.717 -3.084 1.00 0.00 C ATOM 762 C LEU A 51 -3.632 -3.044 -2.829 1.00 0.00 C ATOM 763 O LEU A 51 -4.863 -3.110 -2.910 1.00 0.00 O ATOM 764 CB LEU A 51 -3.642 -0.545 -2.391 1.00 0.00 C ATOM 765 CG LEU A 51 -3.279 -0.246 -0.935 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.803 0.122 -0.743 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.127 0.937 -0.469 1.00 0.00 C ATOM 0 H LEU A 51 -3.856 -1.029 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.905 -1.775 -2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.454 0.356 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.714 -0.736 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.468 -1.151 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.612 0.322 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.176 -0.705 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.571 1.011 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.887 1.171 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.916 1.804 -1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.184 0.681 -0.548 1.00 0.00 H new ATOM 779 N SER A 52 -2.891 -4.142 -2.669 1.00 0.00 N ATOM 780 CA SER A 52 -3.519 -5.424 -2.396 1.00 0.00 C ATOM 781 C SER A 52 -3.385 -5.662 -0.891 1.00 0.00 C ATOM 782 O SER A 52 -2.277 -5.532 -0.364 1.00 0.00 O ATOM 783 CB SER A 52 -2.881 -6.524 -3.243 1.00 0.00 C ATOM 784 OG SER A 52 -3.805 -7.578 -3.397 1.00 0.00 O ATOM 0 H SER A 52 -1.873 -4.165 -2.724 1.00 0.00 H new ATOM 0 HA SER A 52 -4.574 -5.431 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.593 -6.130 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.971 -6.887 -2.765 1.00 0.00 H new ATOM 0 HG SER A 52 -4.454 -7.345 -4.093 1.00 0.00 H new ATOM 790 N VAL A 53 -4.481 -5.924 -0.178 1.00 0.00 N ATOM 791 CA VAL A 53 -4.440 -6.194 1.267 1.00 0.00 C ATOM 792 C VAL A 53 -5.321 -7.404 1.590 1.00 0.00 C ATOM 793 O VAL A 53 -6.216 -7.733 0.816 1.00 0.00 O ATOM 794 CB VAL A 53 -4.780 -4.966 2.139 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.681 -3.597 1.495 1.00 0.00 C ATOM 796 CG2 VAL A 53 -6.149 -4.986 2.757 1.00 0.00 C ATOM 0 H VAL A 53 -5.418 -5.956 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.408 -6.430 1.526 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.984 -5.086 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.948 -2.832 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.660 -3.430 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.364 -3.544 0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.294 -4.083 3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.903 -5.029 1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.245 -5.861 3.400 1.00 0.00 H new ATOM 806 N LEU A 54 -5.112 -8.052 2.740 1.00 0.00 N ATOM 807 CA LEU A 54 -5.885 -9.210 3.179 1.00 0.00 C ATOM 808 C LEU A 54 -6.747 -8.807 4.369 1.00 0.00 C ATOM 809 O LEU A 54 -6.281 -8.079 5.248 1.00 0.00 O ATOM 810 CB LEU A 54 -4.916 -10.344 3.541 1.00 0.00 C ATOM 811 CG LEU A 54 -5.566 -11.601 4.149 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.554 -12.267 3.184 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.464 -12.598 4.514 1.00 0.00 C ATOM 0 H LEU A 54 -4.386 -7.778 3.402 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.544 -9.563 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.373 -10.635 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.180 -9.959 4.247 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.126 -11.297 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.986 -13.149 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.348 -11.563 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.031 -12.563 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.912 -13.493 4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.906 -12.868 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.788 -12.144 5.239 1.00 0.00 H new ATOM 825 N TRP A 55 -7.999 -9.260 4.398 1.00 0.00 N ATOM 826 CA TRP A 55 -8.952 -8.994 5.465 1.00 0.00 C ATOM 827 C TRP A 55 -10.038 -10.066 5.378 1.00 0.00 C ATOM 828 O TRP A 55 -10.456 -10.389 4.264 1.00 0.00 O ATOM 829 CB TRP A 55 -9.582 -7.617 5.281 1.00 0.00 C ATOM 830 CG TRP A 55 -10.236 -7.083 6.515 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.538 -7.225 6.855 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.631 -6.283 7.572 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.781 -6.534 8.027 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.654 -5.881 8.477 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.322 -5.828 7.831 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.405 -5.007 9.546 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.061 -4.954 8.899 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.100 -4.529 9.748 1.00 0.00 C ATOM 0 H TRP A 55 -8.387 -9.840 3.654 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.453 -9.014 6.434 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.813 -6.916 4.956 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.322 -7.670 4.483 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.272 -7.789 6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.684 -6.510 8.501 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.509 -6.156 7.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.206 -4.706 10.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.054 -4.605 9.070 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.894 -3.838 10.552 1.00 0.00 H new ATOM 849 N ASP A 56 -10.508 -10.604 6.504 1.00 0.00 N ATOM 850 CA ASP A 56 -11.556 -11.638 6.612 1.00 0.00 C ATOM 851 C ASP A 56 -11.296 -12.941 5.823 1.00 0.00 C ATOM 852 O ASP A 56 -12.107 -13.866 5.882 1.00 0.00 O ATOM 853 CB ASP A 56 -12.922 -10.986 6.305 1.00 0.00 C ATOM 854 CG ASP A 56 -14.126 -11.925 6.409 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.501 -12.315 7.534 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.744 -12.256 5.368 1.00 0.00 O ATOM 0 H ASP A 56 -10.154 -10.320 7.417 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.548 -12.005 7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.071 -10.151 6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.891 -10.570 5.298 1.00 0.00 H new ATOM 861 N GLY A 57 -10.149 -13.060 5.145 1.00 0.00 N ATOM 862 CA GLY A 57 -9.735 -14.200 4.329 1.00 0.00 C ATOM 863 C GLY A 57 -9.844 -13.899 2.827 1.00 0.00 C ATOM 864 O GLY A 57 -9.530 -14.754 2.001 1.00 0.00 O ATOM 0 H GLY A 57 -9.447 -12.320 5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.706 -14.466 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.354 -15.064 4.572 1.00 0.00 H new ATOM 868 N LEU A 58 -10.251 -12.682 2.445 1.00 0.00 N ATOM 869 CA LEU A 58 -10.424 -12.262 1.059 1.00 0.00 C ATOM 870 C LEU A 58 -9.362 -11.223 0.676 1.00 0.00 C ATOM 871 O LEU A 58 -9.480 -10.079 1.119 1.00 0.00 O ATOM 872 CB LEU A 58 -11.847 -11.681 0.901 1.00 0.00 C ATOM 873 CG LEU A 58 -12.433 -11.655 -0.527 1.00 0.00 C ATOM 874 CD1 LEU A 58 -13.698 -10.790 -0.530 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.491 -11.166 -1.631 1.00 0.00 C ATOM 0 H LEU A 58 -10.474 -11.946 3.115 1.00 0.00 H new ATOM 0 HA LEU A 58 -10.301 -13.115 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.521 -12.257 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.842 -10.661 1.285 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.637 -12.698 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.120 -10.765 -1.535 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.429 -11.212 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.447 -9.777 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.010 -11.191 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.176 -10.145 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.615 -11.814 -1.676 1.00 0.00 H new ATOM 887 N PRO A 59 -8.319 -11.560 -0.105 1.00 0.00 N ATOM 888 CA PRO A 59 -7.321 -10.588 -0.528 1.00 0.00 C ATOM 889 C PRO A 59 -8.027 -9.576 -1.452 1.00 0.00 C ATOM 890 O PRO A 59 -8.498 -9.903 -2.547 1.00 0.00 O ATOM 891 CB PRO A 59 -6.188 -11.377 -1.183 1.00 0.00 C ATOM 892 CG PRO A 59 -6.809 -12.722 -1.563 1.00 0.00 C ATOM 893 CD PRO A 59 -8.041 -12.870 -0.670 1.00 0.00 C ATOM 0 HA PRO A 59 -6.879 -10.008 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.802 -10.859 -2.061 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.351 -11.509 -0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.084 -12.743 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.106 -13.539 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.893 -13.230 -1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.859 -13.599 0.119 1.00 0.00 H new ATOM 901 N ARG A 60 -8.212 -8.362 -0.940 1.00 0.00 N ATOM 902 CA ARG A 60 -8.862 -7.225 -1.567 1.00 0.00 C ATOM 903 C ARG A 60 -7.875 -6.482 -2.446 1.00 0.00 C ATOM 904 O ARG A 60 -6.688 -6.421 -2.130 1.00 0.00 O ATOM 905 CB ARG A 60 -9.310 -6.243 -0.466 1.00 0.00 C ATOM 906 CG ARG A 60 -10.062 -6.843 0.731 1.00 0.00 C ATOM 907 CD ARG A 60 -11.315 -7.623 0.342 1.00 0.00 C ATOM 908 NE ARG A 60 -12.410 -6.732 -0.069 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.663 -6.721 0.394 1.00 0.00 C ATOM 910 NH1 ARG A 60 -14.031 -7.492 1.409 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.539 -5.898 -0.159 1.00 0.00 N ATOM 0 H ARG A 60 -7.884 -8.135 -0.001 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.705 -7.584 -2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.426 -5.729 -0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.948 -5.487 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.389 -7.504 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.342 -6.040 1.412 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.078 -8.307 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.640 -8.232 1.185 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.188 -6.045 -0.789 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.351 -8.110 1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.993 -7.467 1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.253 -5.287 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.501 -5.874 0.180 1.00 0.00 H new ATOM 925 N HIS A 61 -8.375 -5.829 -3.493 1.00 0.00 N ATOM 926 CA HIS A 61 -7.555 -5.046 -4.398 1.00 0.00 C ATOM 927 C HIS A 61 -8.169 -3.663 -4.511 1.00 0.00 C ATOM 928 O HIS A 61 -9.307 -3.535 -4.976 1.00 0.00 O ATOM 929 CB HIS A 61 -7.507 -5.687 -5.777 1.00 0.00 C ATOM 930 CG HIS A 61 -7.032 -7.107 -5.785 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.789 -7.560 -5.413 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.752 -8.169 -6.247 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.742 -8.870 -5.681 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.904 -9.282 -6.230 1.00 0.00 N ATOM 0 H HIS A 61 -9.366 -5.832 -3.734 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.537 -4.992 -4.011 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.504 -5.648 -6.217 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.853 -5.095 -6.417 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.784 -8.154 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.893 -9.508 -5.485 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.121 -10.220 -6.566 1.00 0.00 H new ATOM 942 N PHE A 62 -7.434 -2.644 -4.088 1.00 0.00 N ATOM 943 CA PHE A 62 -7.854 -1.262 -4.142 1.00 0.00 C ATOM 944 C PHE A 62 -6.894 -0.599 -5.126 1.00 0.00 C ATOM 945 O PHE A 62 -5.703 -0.446 -4.851 1.00 0.00 O ATOM 946 CB PHE A 62 -7.863 -0.636 -2.742 1.00 0.00 C ATOM 947 CG PHE A 62 -8.682 -1.390 -1.705 1.00 0.00 C ATOM 948 CD1 PHE A 62 -8.075 -2.384 -0.910 1.00 0.00 C ATOM 949 CD2 PHE A 62 -10.040 -1.076 -1.500 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.806 -3.006 0.117 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.777 -1.726 -0.492 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.154 -2.684 0.329 1.00 0.00 C ATOM 0 H PHE A 62 -6.504 -2.766 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.881 -1.134 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.835 -0.562 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.248 0.381 -2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.049 -2.667 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.518 -0.332 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.325 -3.738 0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.821 -1.489 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.711 -3.168 1.118 1.00 0.00 H new ATOM 962 N ILE A 63 -7.365 -0.381 -6.350 1.00 0.00 N ATOM 963 CA ILE A 63 -6.610 0.261 -7.414 1.00 0.00 C ATOM 964 C ILE A 63 -6.439 1.691 -6.907 1.00 0.00 C ATOM 965 O ILE A 63 -7.437 2.371 -6.649 1.00 0.00 O ATOM 966 CB ILE A 63 -7.373 0.160 -8.754 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.554 -1.322 -9.165 1.00 0.00 C ATOM 968 CG2 ILE A 63 -6.616 0.928 -9.851 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.582 -1.522 -10.282 1.00 0.00 C ATOM 0 H ILE A 63 -8.306 -0.654 -6.634 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.645 -0.199 -7.625 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.360 0.606 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.593 -1.721 -9.490 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.860 -1.899 -8.292 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.161 0.851 -10.792 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.529 1.977 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.620 0.501 -9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.659 -2.583 -10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.553 -1.153 -9.953 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.267 -0.973 -11.169 1.00 0.00 H new ATOM 981 N ILE A 64 -5.191 2.102 -6.683 1.00 0.00 N ATOM 982 CA ILE A 64 -4.873 3.428 -6.185 1.00 0.00 C ATOM 983 C ILE A 64 -5.274 4.415 -7.271 1.00 0.00 C ATOM 984 O ILE A 64 -4.753 4.358 -8.388 1.00 0.00 O ATOM 985 CB ILE A 64 -3.396 3.532 -5.753 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.070 2.453 -4.690 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.167 4.943 -5.186 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.584 2.321 -4.343 1.00 0.00 C ATOM 0 H ILE A 64 -4.372 1.516 -6.845 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.429 3.659 -5.276 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.738 3.363 -6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.622 2.682 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.432 1.489 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.128 5.045 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.388 5.684 -5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.822 5.102 -4.329 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.454 1.542 -3.592 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.023 2.058 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.216 3.269 -3.951 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.243 5.274 -6.969 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.734 6.271 -7.902 1.00 0.00 C ATOM 1002 C GLN A 65 -5.768 7.449 -7.812 1.00 0.00 C ATOM 1003 O GLN A 65 -5.369 7.862 -6.722 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.207 6.628 -7.619 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.010 5.353 -7.300 1.00 0.00 C ATOM 1006 CD GLN A 65 -10.523 5.515 -7.267 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -11.074 6.531 -6.856 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -11.222 4.457 -7.647 1.00 0.00 N ATOM 0 H GLN A 65 -6.710 5.294 -6.062 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.753 5.904 -8.928 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.266 7.323 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.639 7.132 -8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.761 4.594 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.683 4.973 -6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.742 3.623 -7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.241 4.476 -7.601 1.00 0.00 H new ATOM 1017 N SER A 66 -5.346 7.946 -8.967 1.00 0.00 N ATOM 1018 CA SER A 66 -4.419 9.053 -9.128 1.00 0.00 C ATOM 1019 C SER A 66 -5.190 10.129 -9.868 1.00 0.00 C ATOM 1020 O SER A 66 -5.462 9.985 -11.065 1.00 0.00 O ATOM 1021 CB SER A 66 -3.155 8.564 -9.849 1.00 0.00 C ATOM 1022 OG SER A 66 -3.429 7.641 -10.895 1.00 0.00 O ATOM 0 H SER A 66 -5.658 7.567 -9.861 1.00 0.00 H new ATOM 0 HA SER A 66 -4.059 9.466 -8.186 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.624 9.422 -10.260 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.489 8.095 -9.124 1.00 0.00 H new ATOM 0 HG SER A 66 -2.588 7.367 -11.318 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.629 11.144 -9.136 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.406 12.255 -9.650 1.00 0.00 C ATOM 1030 C LEU A 67 -6.009 13.520 -8.922 1.00 0.00 C ATOM 1031 O LEU A 67 -5.455 13.460 -7.826 1.00 0.00 O ATOM 1032 CB LEU A 67 -7.902 11.950 -9.464 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.381 11.783 -8.000 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -8.728 13.121 -7.340 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.630 10.899 -7.950 1.00 0.00 C ATOM 0 H LEU A 67 -5.446 11.215 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.212 12.397 -10.713 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.477 12.753 -9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.137 11.036 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.553 11.327 -7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.058 12.947 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.847 13.763 -7.333 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.527 13.607 -7.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.957 10.789 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.426 11.360 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.398 9.917 -8.363 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.317 14.662 -9.530 1.00 0.00 N ATOM 1048 CA ASP A 68 -6.042 16.006 -9.021 1.00 0.00 C ATOM 1049 C ASP A 68 -4.592 16.226 -8.560 1.00 0.00 C ATOM 1050 O ASP A 68 -4.311 17.136 -7.783 1.00 0.00 O ATOM 1051 CB ASP A 68 -7.085 16.391 -7.959 1.00 0.00 C ATOM 1052 CG ASP A 68 -7.347 17.897 -7.934 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.445 18.505 -9.025 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.644 18.446 -6.848 1.00 0.00 O ATOM 0 H ASP A 68 -6.788 14.678 -10.435 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.143 16.693 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.018 15.864 -8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.740 16.067 -6.977 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.653 15.416 -9.075 1.00 0.00 N ATOM 1060 CA ASN A 69 -2.212 15.411 -8.794 1.00 0.00 C ATOM 1061 C ASN A 69 -1.900 14.749 -7.437 1.00 0.00 C ATOM 1062 O ASN A 69 -0.818 14.966 -6.882 1.00 0.00 O ATOM 1063 CB ASN A 69 -1.568 16.814 -8.901 1.00 0.00 C ATOM 1064 CG ASN A 69 -1.920 17.559 -10.181 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -1.362 17.288 -11.242 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -2.876 18.474 -10.152 1.00 0.00 N ATOM 0 H ASN A 69 -3.903 14.693 -9.750 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.754 14.805 -9.576 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.881 17.413 -8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.485 16.711 -8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.149 18.954 -11.010 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.340 18.699 -9.272 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.829 13.980 -6.861 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.728 13.283 -5.578 1.00 0.00 C ATOM 1075 C LEU A 70 -3.131 11.814 -5.776 1.00 0.00 C ATOM 1076 O LEU A 70 -3.514 11.407 -6.874 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.702 13.921 -4.548 1.00 0.00 C ATOM 1078 CG LEU A 70 -3.293 15.253 -3.892 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -3.482 16.473 -4.787 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -4.134 15.495 -2.642 1.00 0.00 C ATOM 0 H LEU A 70 -3.731 13.818 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.704 13.357 -5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.660 14.074 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.869 13.195 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.230 15.147 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.171 17.369 -4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.878 16.361 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.533 16.562 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.840 16.439 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.188 15.538 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.975 14.682 -1.934 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.073 11.030 -4.697 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.453 9.622 -4.636 1.00 0.00 C ATOM 1094 C TYR A 71 -4.438 9.452 -3.491 1.00 0.00 C ATOM 1095 O TYR A 71 -4.160 9.946 -2.393 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.245 8.725 -4.383 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.181 8.897 -5.428 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.286 8.230 -6.659 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.117 9.773 -5.175 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.301 8.418 -7.639 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.852 9.987 -6.159 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.761 9.317 -7.403 1.00 0.00 C ATOM 1103 OH TYR A 71 1.695 9.527 -8.368 1.00 0.00 O ATOM 0 H TYR A 71 -2.743 11.381 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.893 9.334 -5.591 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.827 8.950 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.566 7.684 -4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.123 7.574 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.046 10.280 -4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.355 7.876 -8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.672 10.665 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 71 2.357 10.175 -8.047 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.586 8.818 -3.739 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.617 8.563 -2.735 1.00 0.00 C ATOM 1115 C ARG A 72 -7.605 7.522 -3.244 1.00 0.00 C ATOM 1116 O ARG A 72 -7.590 7.181 -4.423 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.369 9.854 -2.356 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.961 10.655 -3.523 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.780 11.800 -2.922 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.198 12.782 -3.929 1.00 0.00 N ATOM 1121 CZ ARG A 72 -9.648 14.013 -3.649 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.736 14.411 -2.383 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -10.010 14.841 -4.623 1.00 0.00 N ATOM 0 H ARG A 72 -5.828 8.461 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.120 8.185 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.178 9.593 -1.673 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.685 10.501 -1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.169 11.044 -4.163 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.590 10.019 -4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.662 11.391 -2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.190 12.301 -2.154 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.142 12.509 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.462 13.780 -1.630 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.078 15.347 -2.165 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.947 14.542 -5.596 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.351 15.776 -4.398 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.468 7.047 -2.348 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.525 6.080 -2.630 1.00 0.00 C ATOM 1139 C LEU A 73 -10.812 6.740 -2.144 1.00 0.00 C ATOM 1140 O LEU A 73 -11.576 7.297 -2.936 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.294 4.713 -1.942 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.699 3.574 -2.787 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.666 3.089 -3.873 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.341 3.911 -3.392 1.00 0.00 C ATOM 0 H LEU A 73 -8.449 7.336 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.558 5.845 -3.694 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.636 4.875 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.251 4.372 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.538 2.757 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.200 2.285 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.581 2.722 -3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.906 3.915 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.982 3.063 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.438 4.782 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.631 4.130 -2.594 1.00 0.00 H new ATOM 1156 N GLU A 74 -11.039 6.709 -0.830 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.199 7.266 -0.150 1.00 0.00 C ATOM 1158 C GLU A 74 -11.677 7.993 1.085 1.00 0.00 C ATOM 1159 O GLU A 74 -11.520 7.388 2.154 1.00 0.00 O ATOM 1160 CB GLU A 74 -13.247 6.170 0.143 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.780 5.594 -1.181 1.00 0.00 C ATOM 1162 CD GLU A 74 -15.085 4.802 -1.089 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.513 4.391 0.010 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.696 4.586 -2.164 1.00 0.00 O ATOM 0 H GLU A 74 -10.383 6.272 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.736 7.984 -0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.800 5.377 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.068 6.586 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.926 6.417 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.014 4.946 -1.607 1.00 0.00 H new ATOM 1171 N GLY A 75 -11.344 9.270 0.900 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.823 10.176 1.908 1.00 0.00 C ATOM 1173 C GLY A 75 -9.801 11.125 1.286 1.00 0.00 C ATOM 1174 O GLY A 75 -9.608 11.115 0.068 1.00 0.00 O ATOM 0 H GLY A 75 -11.438 9.720 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.639 10.748 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.359 9.607 2.714 1.00 0.00 H new ATOM 1178 N GLU A 76 -9.137 11.935 2.116 1.00 0.00 N ATOM 1179 CA GLU A 76 -8.119 12.883 1.663 1.00 0.00 C ATOM 1180 C GLU A 76 -6.988 12.106 0.970 1.00 0.00 C ATOM 1181 O GLU A 76 -6.825 10.893 1.185 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.516 13.650 2.854 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.459 14.525 3.685 1.00 0.00 C ATOM 1184 CD GLU A 76 -8.706 15.895 3.051 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.453 15.945 2.049 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -8.206 16.917 3.590 1.00 0.00 O ATOM 0 H GLU A 76 -9.292 11.950 3.124 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.586 13.592 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.055 12.923 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.716 14.285 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.411 14.010 3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.038 14.661 4.681 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.177 12.789 0.161 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.053 12.203 -0.547 1.00 0.00 C ATOM 1195 C GLY A 77 -3.781 12.954 -0.200 1.00 0.00 C ATOM 1196 O GLY A 77 -3.785 13.844 0.654 1.00 0.00 O ATOM 0 H GLY A 77 -6.291 13.786 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.950 11.151 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.228 12.242 -1.622 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.689 12.618 -0.878 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.393 13.256 -0.683 1.00 0.00 C ATOM 1202 C PHE A 78 -0.631 13.308 -2.013 1.00 0.00 C ATOM 1203 O PHE A 78 -0.954 12.537 -2.919 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.581 12.444 0.326 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.858 12.728 1.789 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.885 12.043 2.456 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.030 13.603 2.517 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.031 12.167 3.844 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.185 13.738 3.905 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.182 13.014 4.576 1.00 0.00 C ATOM 0 H PHE A 78 -2.679 11.885 -1.588 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.544 14.270 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.765 11.386 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.478 12.622 0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.566 11.418 1.897 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.730 14.174 2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.801 11.608 4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.464 14.401 4.458 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.296 13.107 5.646 1.00 0.00 H new ATOM 1220 N PRO A 79 0.429 14.137 -2.113 1.00 0.00 N ATOM 1221 CA PRO A 79 1.262 14.286 -3.307 1.00 0.00 C ATOM 1222 C PRO A 79 2.080 13.043 -3.679 1.00 0.00 C ATOM 1223 O PRO A 79 2.717 13.034 -4.729 1.00 0.00 O ATOM 1224 CB PRO A 79 2.219 15.442 -2.975 1.00 0.00 C ATOM 1225 CG PRO A 79 2.303 15.450 -1.456 1.00 0.00 C ATOM 1226 CD PRO A 79 0.870 15.090 -1.098 1.00 0.00 C ATOM 0 HA PRO A 79 0.620 14.461 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.199 15.286 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.841 16.391 -3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.020 14.722 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.597 16.423 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.815 14.652 -0.101 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.235 15.976 -1.092 1.00 0.00 H new ATOM 1234 N SER A 80 2.136 12.013 -2.834 1.00 0.00 N ATOM 1235 CA SER A 80 2.903 10.807 -3.125 1.00 0.00 C ATOM 1236 C SER A 80 2.184 9.611 -2.519 1.00 0.00 C ATOM 1237 O SER A 80 1.384 9.771 -1.594 1.00 0.00 O ATOM 1238 CB SER A 80 4.317 10.949 -2.544 1.00 0.00 C ATOM 1239 OG SER A 80 5.295 10.212 -3.251 1.00 0.00 O ATOM 0 H SER A 80 1.654 11.993 -1.935 1.00 0.00 H new ATOM 0 HA SER A 80 2.988 10.660 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.597 12.002 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.308 10.622 -1.504 1.00 0.00 H new ATOM 0 HG SER A 80 6.171 10.346 -2.833 1.00 0.00 H new ATOM 1245 N ILE A 81 2.479 8.422 -3.040 1.00 0.00 N ATOM 1246 CA ILE A 81 1.886 7.191 -2.553 1.00 0.00 C ATOM 1247 C ILE A 81 2.282 6.943 -1.080 1.00 0.00 C ATOM 1248 O ILE A 81 1.378 6.703 -0.280 1.00 0.00 O ATOM 1249 CB ILE A 81 2.283 5.991 -3.450 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.845 6.151 -4.925 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.761 4.655 -2.875 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.381 5.807 -5.202 1.00 0.00 C ATOM 0 H ILE A 81 3.135 8.291 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 81 0.802 7.292 -2.599 1.00 0.00 H new ATOM 0 HB ILE A 81 3.373 5.975 -3.447 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.026 7.181 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.476 5.517 -5.547 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.058 3.836 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.182 4.497 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.674 4.688 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.168 5.949 -6.261 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.194 4.768 -4.931 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.264 6.458 -4.612 1.00 0.00 H new ATOM 1264 N PRO A 82 3.576 7.015 -0.671 1.00 0.00 N ATOM 1265 CA PRO A 82 3.949 6.736 0.713 1.00 0.00 C ATOM 1266 C PRO A 82 3.365 7.721 1.718 1.00 0.00 C ATOM 1267 O PRO A 82 3.053 7.329 2.840 1.00 0.00 O ATOM 1268 CB PRO A 82 5.479 6.714 0.754 1.00 0.00 C ATOM 1269 CG PRO A 82 5.897 7.558 -0.441 1.00 0.00 C ATOM 1270 CD PRO A 82 4.780 7.303 -1.449 1.00 0.00 C ATOM 0 HA PRO A 82 3.529 5.777 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.858 7.130 1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.865 5.697 0.678 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.974 8.614 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.869 7.254 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.629 8.172 -2.089 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.030 6.466 -2.101 1.00 0.00 H new ATOM 1278 N LEU A 83 3.202 8.981 1.314 1.00 0.00 N ATOM 1279 CA LEU A 83 2.641 10.025 2.163 1.00 0.00 C ATOM 1280 C LEU A 83 1.225 9.620 2.597 1.00 0.00 C ATOM 1281 O LEU A 83 0.867 9.779 3.758 1.00 0.00 O ATOM 1282 CB LEU A 83 2.614 11.357 1.389 1.00 0.00 C ATOM 1283 CG LEU A 83 3.767 12.355 1.596 1.00 0.00 C ATOM 1284 CD1 LEU A 83 3.751 12.922 3.021 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.135 11.741 1.282 1.00 0.00 C ATOM 0 H LEU A 83 3.458 9.305 0.381 1.00 0.00 H new ATOM 0 HA LEU A 83 3.257 10.153 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.568 11.121 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.685 11.868 1.642 1.00 0.00 H new ATOM 0 HG LEU A 83 3.607 13.169 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.575 13.625 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.807 13.437 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.860 12.108 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.914 12.486 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.309 10.886 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.157 11.413 0.243 1.00 0.00 H new ATOM 1297 N LEU A 84 0.414 9.115 1.658 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.952 8.689 1.943 1.00 0.00 C ATOM 1299 C LEU A 84 -0.943 7.457 2.825 1.00 0.00 C ATOM 1300 O LEU A 84 -1.566 7.473 3.878 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.724 8.485 0.627 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.197 8.017 0.694 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.341 6.513 0.935 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.036 8.827 1.682 1.00 0.00 C ATOM 0 H LEU A 84 0.690 8.993 0.684 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.476 9.466 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.702 9.428 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.173 7.758 0.030 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.601 8.214 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.398 6.250 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.859 5.967 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.869 6.249 1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.059 8.451 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.613 8.732 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.035 9.876 1.386 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.250 6.398 2.409 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.167 5.153 3.161 1.00 0.00 C ATOM 1318 C ILE A 85 0.226 5.434 4.611 1.00 0.00 C ATOM 1319 O ILE A 85 -0.461 4.959 5.514 1.00 0.00 O ATOM 1320 CB ILE A 85 0.799 4.194 2.421 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.239 3.756 1.048 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.201 2.956 3.239 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -1.121 3.052 1.094 1.00 0.00 C ATOM 0 H ILE A 85 0.273 6.383 1.533 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.137 4.659 3.214 1.00 0.00 H new ATOM 0 HB ILE A 85 1.705 4.781 2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.153 4.636 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.960 3.089 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.878 2.336 2.651 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.701 3.272 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.310 2.382 3.492 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.427 2.785 0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.043 2.149 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.862 3.720 1.533 1.00 0.00 H new ATOM 1335 N ASP A 86 1.275 6.225 4.850 1.00 0.00 N ATOM 1336 CA ASP A 86 1.707 6.526 6.210 1.00 0.00 C ATOM 1337 C ASP A 86 0.605 7.217 7.012 1.00 0.00 C ATOM 1338 O ASP A 86 0.472 6.944 8.206 1.00 0.00 O ATOM 1339 CB ASP A 86 2.986 7.357 6.224 1.00 0.00 C ATOM 1340 CG ASP A 86 3.625 7.308 7.613 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.344 6.315 7.890 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.458 8.268 8.403 1.00 0.00 O ATOM 0 H ASP A 86 1.836 6.665 4.121 1.00 0.00 H new ATOM 0 HA ASP A 86 1.923 5.572 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.685 6.977 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.762 8.389 5.954 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.213 8.073 6.380 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.290 8.739 7.102 1.00 0.00 C ATOM 1349 C HIS A 87 -2.297 7.703 7.603 1.00 0.00 C ATOM 1350 O HIS A 87 -2.753 7.801 8.744 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.961 9.786 6.209 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.197 10.425 6.795 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.240 11.244 7.894 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.467 10.336 6.299 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.506 11.660 8.055 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.291 11.164 7.078 1.00 0.00 N ATOM 0 H HIS A 87 -0.146 8.312 5.391 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.878 9.258 7.967 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.237 10.569 5.985 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.227 9.317 5.261 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.448 11.494 8.486 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.781 9.736 5.458 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.847 12.301 8.854 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.663 6.711 6.781 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.622 5.677 7.182 1.00 0.00 C ATOM 1366 C LEU A 88 -2.999 4.775 8.228 1.00 0.00 C ATOM 1367 O LEU A 88 -3.697 4.327 9.127 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.107 4.802 6.016 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.182 5.481 5.154 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.582 6.638 4.372 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.747 4.464 4.154 1.00 0.00 C ATOM 0 H LEU A 88 -2.307 6.604 5.831 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.488 6.208 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.256 4.543 5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.505 3.868 6.413 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.969 5.853 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.357 7.108 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.169 7.370 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.790 6.266 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.510 4.943 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.944 4.098 3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.189 3.628 4.696 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.703 4.485 8.132 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.022 3.642 9.108 1.00 0.00 C ATOM 1385 C LEU A 89 -1.011 4.363 10.452 1.00 0.00 C ATOM 1386 O LEU A 89 -1.212 3.724 11.482 1.00 0.00 O ATOM 1387 CB LEU A 89 0.411 3.354 8.643 1.00 0.00 C ATOM 1388 CG LEU A 89 0.633 2.006 7.935 1.00 0.00 C ATOM 1389 CD1 LEU A 89 0.267 0.778 8.768 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.081 1.993 6.597 1.00 0.00 C ATOM 0 H LEU A 89 -1.101 4.825 7.382 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.545 2.691 9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.720 4.152 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.069 3.399 9.511 1.00 0.00 H new ATOM 0 HG LEU A 89 1.709 1.925 7.780 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.456 -0.125 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.872 0.760 9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.789 0.822 9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.084 1.034 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.149 2.142 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.309 2.794 5.969 1.00 0.00 H new ATOM 1402 N SER A 90 -0.817 5.677 10.455 1.00 0.00 N ATOM 1403 CA SER A 90 -0.799 6.482 11.658 1.00 0.00 C ATOM 1404 C SER A 90 -2.214 6.574 12.244 1.00 0.00 C ATOM 1405 O SER A 90 -2.489 6.071 13.335 1.00 0.00 O ATOM 1406 CB SER A 90 -0.237 7.866 11.300 1.00 0.00 C ATOM 1407 OG SER A 90 -0.282 8.725 12.418 1.00 0.00 O ATOM 0 H SER A 90 -0.666 6.217 9.603 1.00 0.00 H new ATOM 0 HA SER A 90 -0.164 6.030 12.420 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.791 7.768 10.951 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.812 8.297 10.480 1.00 0.00 H new ATOM 0 HG SER A 90 0.081 9.601 12.172 1.00 0.00 H new ATOM 1413 N THR A 91 -3.132 7.210 11.515 1.00 0.00 N ATOM 1414 CA THR A 91 -4.517 7.434 11.938 1.00 0.00 C ATOM 1415 C THR A 91 -5.380 6.178 12.034 1.00 0.00 C ATOM 1416 O THR A 91 -6.428 6.210 12.678 1.00 0.00 O ATOM 1417 CB THR A 91 -5.186 8.453 11.005 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.208 7.999 9.662 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.465 9.799 11.054 1.00 0.00 C ATOM 0 H THR A 91 -2.929 7.593 10.592 1.00 0.00 H new ATOM 0 HA THR A 91 -4.449 7.815 12.957 1.00 0.00 H new ATOM 0 HB THR A 91 -6.210 8.571 11.358 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.292 7.959 9.315 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.960 10.502 10.384 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.491 10.189 12.072 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.429 9.668 10.742 1.00 0.00 H new ATOM 1427 N GLN A 92 -4.931 5.069 11.453 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.630 3.787 11.417 1.00 0.00 C ATOM 1429 C GLN A 92 -6.994 3.915 10.717 1.00 0.00 C ATOM 1430 O GLN A 92 -7.946 3.207 11.048 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.687 3.161 12.819 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.330 2.659 13.334 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.880 1.425 12.559 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.410 0.333 12.772 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -2.930 1.583 11.655 1.00 0.00 N ATOM 0 H GLN A 92 -4.031 5.037 10.974 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.065 3.084 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.080 3.898 13.519 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.390 2.328 12.806 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.584 3.448 13.236 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.404 2.421 14.395 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.515 2.503 11.507 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.612 0.785 11.105 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.114 4.848 9.768 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.355 5.043 9.033 1.00 0.00 C ATOM 1446 C GLN A 93 -8.562 3.867 8.073 1.00 0.00 C ATOM 1447 O GLN A 93 -7.605 3.437 7.420 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.334 6.363 8.252 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.634 7.537 9.185 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.549 8.871 8.465 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -9.558 9.438 8.041 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.339 9.369 8.295 1.00 0.00 N ATOM 0 H GLN A 93 -6.361 5.479 9.494 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.180 5.089 9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.359 6.501 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.071 6.330 7.449 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.631 7.417 9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.930 7.528 10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.527 8.871 8.660 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.216 10.252 7.799 1.00 0.00 H new ATOM 1461 N PRO A 94 -9.796 3.351 7.950 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.084 2.254 7.055 1.00 0.00 C ATOM 1463 C PRO A 94 -10.068 2.743 5.609 1.00 0.00 C ATOM 1464 O PRO A 94 -10.419 3.888 5.301 1.00 0.00 O ATOM 1465 CB PRO A 94 -11.474 1.750 7.454 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.153 3.010 7.985 1.00 0.00 C ATOM 1467 CD PRO A 94 -10.998 3.754 8.656 1.00 0.00 C ATOM 0 HA PRO A 94 -9.343 1.457 7.126 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.011 1.329 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.419 0.970 8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.602 3.597 7.184 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.949 2.774 8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.142 4.833 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.933 3.499 9.714 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.739 1.827 4.699 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.679 2.090 3.266 1.00 0.00 C ATOM 1477 C LEU A 95 -11.043 2.561 2.768 1.00 0.00 C ATOM 1478 O LEU A 95 -11.103 3.407 1.873 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.186 0.833 2.530 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.655 0.700 2.643 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.220 -0.744 2.388 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.947 1.626 1.645 1.00 0.00 C ATOM 0 H LEU A 95 -9.503 0.865 4.944 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.967 2.889 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.665 -0.052 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.475 0.884 1.480 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.373 0.989 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.136 -0.818 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.686 -1.400 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.527 -1.045 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.868 1.512 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.246 1.364 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.224 2.660 1.849 1.00 0.00 H new ATOM 1494 N THR A 96 -12.129 2.025 3.325 1.00 0.00 N ATOM 1495 CA THR A 96 -13.504 2.372 3.007 1.00 0.00 C ATOM 1496 C THR A 96 -14.408 1.559 3.925 1.00 0.00 C ATOM 1497 O THR A 96 -14.129 0.380 4.187 1.00 0.00 O ATOM 1498 CB THR A 96 -13.849 2.105 1.525 1.00 0.00 C ATOM 1499 OG1 THR A 96 -15.242 2.211 1.329 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.444 0.722 1.016 1.00 0.00 C ATOM 0 H THR A 96 -12.065 1.304 4.043 1.00 0.00 H new ATOM 0 HA THR A 96 -13.650 3.441 3.163 1.00 0.00 H new ATOM 0 HB THR A 96 -13.281 2.852 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 96 -15.424 2.869 0.626 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.725 0.624 -0.033 1.00 0.00 H new ATOM 0 HG22 THR A 96 -12.366 0.599 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.952 -0.044 1.601 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.508 2.150 4.407 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.452 1.425 5.257 1.00 0.00 C ATOM 1510 C LYS A 97 -17.097 0.285 4.464 1.00 0.00 C ATOM 1511 O LYS A 97 -17.604 -0.663 5.066 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.469 2.366 5.923 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.385 3.200 5.014 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.435 2.392 4.241 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.516 3.330 3.702 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.688 2.600 3.179 1.00 0.00 N ATOM 0 H LYS A 97 -15.763 3.120 4.223 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.907 0.973 6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.103 1.765 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -16.917 3.055 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.897 3.945 5.623 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.767 3.743 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.962 1.857 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.883 1.642 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.837 4.004 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.094 3.948 2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.391 3.280 2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.390 1.976 2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.109 2.030 3.940 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.026 0.324 3.123 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.575 -0.696 2.237 1.00 0.00 C ATOM 1532 C LYS A 98 -16.963 -2.063 2.559 1.00 0.00 C ATOM 1533 O LYS A 98 -17.594 -3.093 2.323 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.311 -0.273 0.777 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.162 -1.050 -0.234 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.580 -0.463 -0.332 1.00 0.00 C ATOM 1537 CE LYS A 98 -20.564 -1.368 -1.078 1.00 0.00 C ATOM 1538 NZ LYS A 98 -20.720 -2.669 -0.404 1.00 0.00 N ATOM 0 H LYS A 98 -16.573 1.087 2.621 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.651 -0.788 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.513 0.793 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.256 -0.422 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.685 -1.021 -1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.218 -2.097 0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -19.959 -0.278 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -19.531 0.502 -0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.533 -0.874 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -20.213 -1.525 -2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -21.590 -3.131 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.902 -3.273 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -20.778 -2.523 0.624 1.00 0.00 H new ATOM 1552 N SER A 99 -15.757 -2.081 3.138 1.00 0.00 N ATOM 1553 CA SER A 99 -15.057 -3.295 3.519 1.00 0.00 C ATOM 1554 C SER A 99 -14.457 -3.221 4.930 1.00 0.00 C ATOM 1555 O SER A 99 -14.015 -4.241 5.449 1.00 0.00 O ATOM 1556 CB SER A 99 -14.067 -3.655 2.406 1.00 0.00 C ATOM 1557 OG SER A 99 -13.316 -2.544 1.934 1.00 0.00 O ATOM 0 H SER A 99 -15.237 -1.231 3.356 1.00 0.00 H new ATOM 0 HA SER A 99 -15.763 -4.121 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.381 -4.418 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 99 -14.614 -4.094 1.572 1.00 0.00 H new ATOM 0 HG SER A 99 -12.952 -2.748 1.047 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.429 -2.047 5.570 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.917 -1.797 6.920 1.00 0.00 C ATOM 1565 C GLY A 100 -12.431 -2.085 7.159 1.00 0.00 C ATOM 1566 O GLY A 100 -11.957 -1.848 8.265 1.00 0.00 O ATOM 0 H GLY A 100 -14.784 -1.197 5.133 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.105 -0.752 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.497 -2.399 7.620 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.706 -2.540 6.139 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.293 -2.899 6.143 1.00 0.00 C ATOM 1572 C VAL A 101 -9.404 -1.739 6.581 1.00 0.00 C ATOM 1573 O VAL A 101 -9.570 -0.631 6.070 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.910 -3.368 4.724 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.498 -3.946 4.666 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.885 -4.421 4.183 1.00 0.00 C ATOM 0 H VAL A 101 -12.125 -2.677 5.219 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.136 -3.699 6.866 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.958 -2.474 4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.276 -4.262 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.781 -3.186 4.975 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.428 -4.804 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.577 -4.722 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.883 -5.291 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.889 -4.000 4.142 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.434 -2.010 7.456 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.469 -1.051 7.991 1.00 0.00 C ATOM 1588 C VAL A 102 -6.060 -1.583 7.687 1.00 0.00 C ATOM 1589 O VAL A 102 -5.881 -2.777 7.429 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.701 -0.862 9.513 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.845 0.279 10.086 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.169 -0.573 9.863 1.00 0.00 C ATOM 0 H VAL A 102 -8.294 -2.949 7.828 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.588 -0.072 7.527 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.408 -1.812 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.038 0.377 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.790 0.057 9.927 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.100 1.212 9.584 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.269 -0.450 10.941 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.489 0.341 9.363 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.792 -1.404 9.533 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.059 -0.702 7.660 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.659 -1.035 7.405 1.00 0.00 C ATOM 1604 C LEU A 103 -3.020 -1.173 8.770 1.00 0.00 C ATOM 1605 O LEU A 103 -2.970 -0.192 9.507 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.933 0.060 6.600 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.307 0.124 5.103 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.758 0.562 4.866 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.406 1.121 4.359 1.00 0.00 C ATOM 0 H LEU A 103 -5.206 0.295 7.820 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.590 -1.945 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.148 1.027 7.055 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.858 -0.100 6.684 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.174 -0.891 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.960 0.588 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.435 -0.145 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.912 1.555 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.687 1.150 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.525 2.113 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.366 0.808 4.448 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.596 -2.379 9.139 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.950 -2.604 10.428 1.00 0.00 C ATOM 1623 C HIS A 104 -0.438 -2.605 10.210 1.00 0.00 C ATOM 1624 O HIS A 104 0.286 -2.013 11.008 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.453 -3.890 11.093 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.902 -3.812 11.526 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.361 -3.739 12.826 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.999 -3.767 10.707 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.701 -3.641 12.782 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.135 -3.683 11.513 1.00 0.00 N ATOM 0 H HIS A 104 -2.689 -3.216 8.563 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.206 -1.802 11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.333 -4.721 10.398 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.832 -4.108 11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.987 -3.792 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.339 -3.542 13.648 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.105 -3.658 11.199 1.00 0.00 H new ATOM 1638 N ARG A 105 0.055 -3.251 9.143 1.00 0.00 N ATOM 1639 CA ARG A 105 1.481 -3.305 8.831 1.00 0.00 C ATOM 1640 C ARG A 105 1.685 -3.756 7.387 1.00 0.00 C ATOM 1641 O ARG A 105 0.832 -4.418 6.806 1.00 0.00 O ATOM 1642 CB ARG A 105 2.202 -4.270 9.794 1.00 0.00 C ATOM 1643 CG ARG A 105 3.729 -4.175 9.629 1.00 0.00 C ATOM 1644 CD ARG A 105 4.522 -4.877 10.727 1.00 0.00 C ATOM 1645 NE ARG A 105 4.201 -6.306 10.803 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.639 -7.152 11.735 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.575 -6.793 12.609 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.137 -8.373 11.798 1.00 0.00 N ATOM 0 H ARG A 105 -0.530 -3.751 8.473 1.00 0.00 H new ATOM 0 HA ARG A 105 1.904 -2.308 8.953 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.928 -4.035 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.875 -5.292 9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.006 -4.603 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.016 -3.124 9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.589 -4.754 10.540 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.310 -4.405 11.687 1.00 0.00 H new ATOM 0 HE ARG A 105 3.590 -6.685 10.080 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.972 -5.854 12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.896 -7.457 13.314 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.418 -8.664 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.469 -9.025 12.509 1.00 0.00 H new ATOM 1662 N ALA A 106 2.806 -3.363 6.795 1.00 0.00 N ATOM 1663 CA ALA A 106 3.184 -3.715 5.439 1.00 0.00 C ATOM 1664 C ALA A 106 3.819 -5.112 5.407 1.00 0.00 C ATOM 1665 O ALA A 106 4.105 -5.701 6.452 1.00 0.00 O ATOM 1666 CB ALA A 106 4.231 -2.682 5.006 1.00 0.00 C ATOM 0 H ALA A 106 3.495 -2.773 7.262 1.00 0.00 H new ATOM 0 HA ALA A 106 2.314 -3.721 4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.555 -2.897 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.795 -1.684 5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.089 -2.730 5.677 1.00 0.00 H new ATOM 1672 N VAL A 107 4.087 -5.639 4.211 1.00 0.00 N ATOM 1673 CA VAL A 107 4.741 -6.915 4.001 1.00 0.00 C ATOM 1674 C VAL A 107 6.050 -6.510 3.313 1.00 0.00 C ATOM 1675 O VAL A 107 5.989 -6.048 2.173 1.00 0.00 O ATOM 1676 CB VAL A 107 3.860 -7.858 3.168 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.670 -9.007 2.576 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.731 -8.442 4.031 1.00 0.00 C ATOM 0 H VAL A 107 3.844 -5.168 3.339 1.00 0.00 H new ATOM 0 HA VAL A 107 4.925 -7.486 4.911 1.00 0.00 H new ATOM 0 HB VAL A 107 3.440 -7.267 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.013 -9.653 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.451 -8.606 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.125 -9.584 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.117 -9.108 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.161 -9.001 4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.114 -7.632 4.419 1.00 0.00 H new ATOM 1688 N PRO A 108 7.201 -6.541 4.006 1.00 0.00 N ATOM 1689 CA PRO A 108 8.476 -6.180 3.410 1.00 0.00 C ATOM 1690 C PRO A 108 8.949 -7.308 2.478 1.00 0.00 C ATOM 1691 O PRO A 108 8.979 -8.474 2.888 1.00 0.00 O ATOM 1692 CB PRO A 108 9.419 -5.968 4.595 1.00 0.00 C ATOM 1693 CG PRO A 108 8.824 -6.762 5.759 1.00 0.00 C ATOM 1694 CD PRO A 108 7.378 -7.043 5.361 1.00 0.00 C ATOM 0 HA PRO A 108 8.426 -5.282 2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.425 -6.316 4.360 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.498 -4.910 4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.373 -7.689 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 108 8.872 -6.193 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.167 -8.111 5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.687 -6.552 6.047 1.00 0.00 H new ATOM 1702 N SER A 109 9.376 -6.973 1.258 1.00 0.00 N ATOM 1703 CA SER A 109 9.845 -7.936 0.261 1.00 0.00 C ATOM 1704 C SER A 109 11.002 -8.802 0.766 1.00 0.00 C ATOM 1705 O SER A 109 10.923 -10.034 0.762 1.00 0.00 O ATOM 1706 CB SER A 109 10.214 -7.190 -1.027 1.00 0.00 C ATOM 1707 OG SER A 109 11.117 -6.131 -0.755 1.00 0.00 O ATOM 0 H SER A 109 9.406 -6.007 0.930 1.00 0.00 H new ATOM 0 HA SER A 109 9.032 -8.632 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.663 -7.883 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.312 -6.794 -1.494 1.00 0.00 H new ATOM 0 HG SER A 109 11.341 -5.669 -1.590 1.00 0.00 H new