USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 TYR OH : rot 30:sc= 0 USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot 180:sc= -0.103 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 HIS : no HD1:sc= -0.441 X(o=-0.44,f=-0.22) USER MOD Single : B 73 LYS NZ :NH3+ -156:sc= 1.47 (180deg=0.985) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl -140:sc= -0.0712 (180deg=-0.382) USER MOD Single : B 78 SER OG : rot -43:sc= 0.993 USER MOD Single : B 84 GLN : amide:sc= 0.0321 K(o=0.032,f=-1.7!) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -0.782 K(o=-0.78,f=-3.7!) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0178) USER MOD Single : B 97 LYS NZ :NH3+ -102:sc= 1.72 (180deg=0.048) USER MOD Single : B 102 GLN : amide:sc= -1.74! C(o=-1.7!,f=-2.2!) USER MOD Single : B 103 SER OG : rot 75:sc= 0.196 USER MOD Single : B 107 THR OG1 : rot 86:sc= 0.485 USER MOD Single : B 110 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.058) USER MOD Single : B 112 HIS : no HE2:sc= 0.223 K(o=0.22,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO B 48 -4.675 2.842 13.087 1.00 0.00 N ATOM 72 CA PRO B 48 -4.318 3.953 13.953 1.00 0.00 C ATOM 73 C PRO B 48 -5.392 5.038 13.908 1.00 0.00 C ATOM 74 O PRO B 48 -5.410 5.931 14.754 1.00 0.00 O ATOM 75 CB PRO B 48 -2.962 4.442 13.445 1.00 0.00 C ATOM 76 CG PRO B 48 -2.952 4.038 11.974 1.00 0.00 C ATOM 77 CD PRO B 48 -3.808 2.775 11.927 1.00 0.00 C ATOM 0 HA PRO B 48 -4.251 3.662 15.001 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -2.857 5.520 13.564 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -2.140 3.979 13.992 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -3.366 4.824 11.342 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -1.939 3.846 11.621 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -4.390 2.731 11.006 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -3.186 1.880 11.955 1.00 0.00 H new ATOM 85 N VAL B 49 -6.287 4.958 12.919 1.00 0.00 N ATOM 86 CA VAL B 49 -7.401 5.877 12.781 1.00 0.00 C ATOM 87 C VAL B 49 -8.353 5.721 13.963 1.00 0.00 C ATOM 88 O VAL B 49 -8.736 6.712 14.581 1.00 0.00 O ATOM 89 CB VAL B 49 -8.136 5.605 11.463 1.00 0.00 C ATOM 90 CG1 VAL B 49 -9.234 6.651 11.278 1.00 0.00 C ATOM 91 CG2 VAL B 49 -7.170 5.704 10.280 1.00 0.00 C ATOM 0 H VAL B 49 -6.251 4.245 12.190 1.00 0.00 H new ATOM 0 HA VAL B 49 -7.025 6.900 12.769 1.00 0.00 H new ATOM 0 HB VAL B 49 -8.560 4.602 11.500 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -9.761 6.464 10.342 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.937 6.591 12.109 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -8.788 7.645 11.251 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -7.709 5.508 9.353 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -6.739 6.705 10.245 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.373 4.970 10.399 1.00 0.00 H new ATOM 101 N MET B 50 -8.737 4.481 14.282 1.00 0.00 N ATOM 102 CA MET B 50 -9.670 4.218 15.367 1.00 0.00 C ATOM 103 C MET B 50 -9.036 4.469 16.732 1.00 0.00 C ATOM 104 O MET B 50 -9.732 4.901 17.646 1.00 0.00 O ATOM 105 CB MET B 50 -10.184 2.779 15.271 1.00 0.00 C ATOM 106 CG MET B 50 -11.526 2.759 14.539 1.00 0.00 C ATOM 107 SD MET B 50 -12.859 3.560 15.474 1.00 0.00 S ATOM 108 CE MET B 50 -14.205 3.421 14.274 1.00 0.00 C ATOM 0 H MET B 50 -8.411 3.644 13.798 1.00 0.00 H new ATOM 0 HA MET B 50 -10.507 4.909 15.267 1.00 0.00 H new ATOM 0 HB2 MET B 50 -9.461 2.159 14.741 1.00 0.00 H new ATOM 0 HB3 MET B 50 -10.297 2.356 16.269 1.00 0.00 H new ATOM 0 HG2 MET B 50 -11.415 3.258 13.576 1.00 0.00 H new ATOM 0 HG3 MET B 50 -11.805 1.726 14.333 1.00 0.00 H new ATOM 0 HE1 MET B 50 -15.109 3.867 14.688 1.00 0.00 H new ATOM 0 HE2 MET B 50 -13.930 3.942 13.357 1.00 0.00 H new ATOM 0 HE3 MET B 50 -14.388 2.370 14.053 1.00 0.00 H new ATOM 118 N ILE B 51 -7.734 4.211 16.897 1.00 0.00 N ATOM 119 CA ILE B 51 -7.088 4.472 18.177 1.00 0.00 C ATOM 120 C ILE B 51 -7.233 5.951 18.497 1.00 0.00 C ATOM 121 O ILE B 51 -7.719 6.323 19.561 1.00 0.00 O ATOM 122 CB ILE B 51 -5.598 4.132 18.122 1.00 0.00 C ATOM 123 CG1 ILE B 51 -5.351 2.709 17.620 1.00 0.00 C ATOM 124 CG2 ILE B 51 -4.988 4.309 19.515 1.00 0.00 C ATOM 125 CD1 ILE B 51 -3.854 2.499 17.407 1.00 0.00 C ATOM 0 H ILE B 51 -7.123 3.830 16.175 1.00 0.00 H new ATOM 0 HA ILE B 51 -7.560 3.853 18.940 1.00 0.00 H new ATOM 0 HB ILE B 51 -5.123 4.811 17.414 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.732 1.986 18.341 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.889 2.542 16.687 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.926 4.068 19.480 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -5.115 5.342 19.839 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -5.488 3.644 20.219 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -3.676 1.485 17.049 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -3.488 3.213 16.670 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -3.328 2.648 18.350 1.00 0.00 H new ATOM 137 N LEU B 52 -6.801 6.790 17.554 1.00 0.00 N ATOM 138 CA LEU B 52 -6.859 8.232 17.674 1.00 0.00 C ATOM 139 C LEU B 52 -8.307 8.673 17.893 1.00 0.00 C ATOM 140 O LEU B 52 -8.592 9.436 18.814 1.00 0.00 O ATOM 141 CB LEU B 52 -6.243 8.815 16.398 1.00 0.00 C ATOM 142 CG LEU B 52 -5.809 10.283 16.520 1.00 0.00 C ATOM 143 CD1 LEU B 52 -5.142 10.699 15.214 1.00 0.00 C ATOM 144 CD2 LEU B 52 -6.975 11.236 16.768 1.00 0.00 C ATOM 0 H LEU B 52 -6.396 6.472 16.674 1.00 0.00 H new ATOM 0 HA LEU B 52 -6.297 8.596 18.534 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.377 8.214 16.119 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.966 8.728 15.587 1.00 0.00 H new ATOM 0 HG LEU B 52 -5.136 10.348 17.375 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -4.827 11.740 15.282 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -4.272 10.068 15.032 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -5.849 10.587 14.392 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -6.601 12.257 16.844 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -7.682 11.170 15.941 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -7.477 10.963 17.696 1.00 0.00 H new ATOM 156 N ASN B 53 -9.218 8.188 17.045 1.00 0.00 N ATOM 157 CA ASN B 53 -10.631 8.535 17.100 1.00 0.00 C ATOM 158 C ASN B 53 -11.312 8.038 18.383 1.00 0.00 C ATOM 159 O ASN B 53 -12.449 8.420 18.650 1.00 0.00 O ATOM 160 CB ASN B 53 -11.308 7.955 15.856 1.00 0.00 C ATOM 161 CG ASN B 53 -12.742 8.436 15.697 1.00 0.00 C ATOM 162 OD1 ASN B 53 -13.682 7.664 15.858 1.00 0.00 O ATOM 163 ND2 ASN B 53 -12.919 9.714 15.378 1.00 0.00 N ATOM 0 H ASN B 53 -8.987 7.537 16.295 1.00 0.00 H new ATOM 0 HA ASN B 53 -10.728 9.620 17.117 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -10.735 8.232 14.971 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -11.297 6.867 15.914 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -13.862 10.084 15.259 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -12.112 10.325 15.253 1.00 0.00 H new ATOM 170 N GLU B 54 -10.641 7.196 19.177 1.00 0.00 N ATOM 171 CA GLU B 54 -11.178 6.724 20.447 1.00 0.00 C ATOM 172 C GLU B 54 -10.464 7.384 21.623 1.00 0.00 C ATOM 173 O GLU B 54 -11.065 7.574 22.680 1.00 0.00 O ATOM 174 CB GLU B 54 -11.005 5.207 20.556 1.00 0.00 C ATOM 175 CG GLU B 54 -12.025 4.453 19.705 1.00 0.00 C ATOM 176 CD GLU B 54 -11.820 2.944 19.831 1.00 0.00 C ATOM 177 OE1 GLU B 54 -11.946 2.434 20.966 1.00 0.00 O ATOM 178 OE2 GLU B 54 -11.538 2.299 18.795 1.00 0.00 O ATOM 0 H GLU B 54 -9.716 6.828 18.954 1.00 0.00 H new ATOM 0 HA GLU B 54 -12.236 6.985 20.480 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -9.998 4.933 20.242 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -11.107 4.904 21.598 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -13.035 4.716 20.020 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -11.929 4.753 18.661 1.00 0.00 H new ATOM 185 N LEU B 55 -9.186 7.736 21.452 1.00 0.00 N ATOM 186 CA LEU B 55 -8.417 8.358 22.515 1.00 0.00 C ATOM 187 C LEU B 55 -8.741 9.845 22.620 1.00 0.00 C ATOM 188 O LEU B 55 -8.995 10.347 23.714 1.00 0.00 O ATOM 189 CB LEU B 55 -6.930 8.139 22.228 1.00 0.00 C ATOM 190 CG LEU B 55 -6.084 8.184 23.505 1.00 0.00 C ATOM 191 CD1 LEU B 55 -4.834 7.334 23.292 1.00 0.00 C ATOM 192 CD2 LEU B 55 -5.665 9.611 23.852 1.00 0.00 C ATOM 0 H LEU B 55 -8.669 7.597 20.584 1.00 0.00 H new ATOM 0 HA LEU B 55 -8.675 7.904 23.472 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.794 7.175 21.737 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.579 8.903 21.534 1.00 0.00 H new ATOM 0 HG LEU B 55 -6.683 7.799 24.330 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -4.221 7.356 24.193 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -5.125 6.306 23.076 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -4.262 7.732 22.454 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -5.067 9.603 24.763 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -5.076 10.026 23.034 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -6.553 10.224 24.006 1.00 0.00 H new ATOM 204 N ARG B 56 -8.731 10.549 21.482 1.00 0.00 N ATOM 205 CA ARG B 56 -8.963 11.984 21.459 1.00 0.00 C ATOM 206 C ARG B 56 -9.562 12.396 20.110 1.00 0.00 C ATOM 207 O ARG B 56 -8.842 12.884 19.239 1.00 0.00 O ATOM 208 CB ARG B 56 -7.630 12.691 21.746 1.00 0.00 C ATOM 209 CG ARG B 56 -7.784 14.124 22.265 1.00 0.00 C ATOM 210 CD ARG B 56 -8.410 15.063 21.236 1.00 0.00 C ATOM 211 NE ARG B 56 -8.328 16.459 21.676 1.00 0.00 N ATOM 212 CZ ARG B 56 -8.999 17.467 21.113 1.00 0.00 C ATOM 213 NH1 ARG B 56 -9.840 17.246 20.105 1.00 0.00 N ATOM 214 NH2 ARG B 56 -8.827 18.709 21.558 1.00 0.00 N ATOM 0 H ARG B 56 -8.563 10.138 20.564 1.00 0.00 H new ATOM 0 HA ARG B 56 -9.682 12.275 22.225 1.00 0.00 H new ATOM 0 HB2 ARG B 56 -7.072 12.108 22.479 1.00 0.00 H new ATOM 0 HB3 ARG B 56 -7.036 12.708 20.833 1.00 0.00 H new ATOM 0 HG2 ARG B 56 -8.400 14.115 23.164 1.00 0.00 H new ATOM 0 HG3 ARG B 56 -6.805 14.508 22.553 1.00 0.00 H new ATOM 0 HD2 ARG B 56 -7.901 14.950 20.279 1.00 0.00 H new ATOM 0 HD3 ARG B 56 -9.453 14.789 21.077 1.00 0.00 H new ATOM 0 HE ARG B 56 -7.718 16.675 22.464 1.00 0.00 H new ATOM 0 HH11 ARG B 56 -9.978 16.298 19.754 1.00 0.00 H new ATOM 0 HH12 ARG B 56 -10.347 18.024 19.683 1.00 0.00 H new ATOM 0 HH21 ARG B 56 -8.183 18.890 22.328 1.00 0.00 H new ATOM 0 HH22 ARG B 56 -9.339 19.480 21.129 1.00 0.00 H new ATOM 228 N PRO B 57 -10.876 12.210 19.919 1.00 0.00 N ATOM 229 CA PRO B 57 -11.578 12.621 18.714 1.00 0.00 C ATOM 230 C PRO B 57 -11.708 14.144 18.668 1.00 0.00 C ATOM 231 O PRO B 57 -11.243 14.834 19.572 1.00 0.00 O ATOM 232 CB PRO B 57 -12.946 11.943 18.806 1.00 0.00 C ATOM 233 CG PRO B 57 -13.183 11.854 20.310 1.00 0.00 C ATOM 234 CD PRO B 57 -11.785 11.586 20.863 1.00 0.00 C ATOM 0 HA PRO B 57 -11.052 12.335 17.803 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -13.720 12.527 18.309 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.941 10.958 18.339 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -13.604 12.777 20.708 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -13.877 11.053 20.562 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -11.668 12.009 21.861 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -11.593 10.516 20.946 1.00 0.00 H new ATOM 242 N GLY B 58 -12.339 14.678 17.618 1.00 0.00 N ATOM 243 CA GLY B 58 -12.537 16.117 17.504 1.00 0.00 C ATOM 244 C GLY B 58 -11.452 16.762 16.653 1.00 0.00 C ATOM 245 O GLY B 58 -10.766 17.679 17.101 1.00 0.00 O ATOM 0 H GLY B 58 -12.718 14.135 16.842 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -13.514 16.318 17.064 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -12.537 16.566 18.497 1.00 0.00 H new ATOM 249 N LEU B 59 -11.303 16.273 15.423 1.00 0.00 N ATOM 250 CA LEU B 59 -10.304 16.721 14.467 1.00 0.00 C ATOM 251 C LEU B 59 -10.970 16.991 13.120 1.00 0.00 C ATOM 252 O LEU B 59 -12.195 16.969 13.019 1.00 0.00 O ATOM 253 CB LEU B 59 -9.214 15.655 14.354 1.00 0.00 C ATOM 254 CG LEU B 59 -9.767 14.233 14.387 1.00 0.00 C ATOM 255 CD1 LEU B 59 -10.718 13.983 13.222 1.00 0.00 C ATOM 256 CD2 LEU B 59 -8.575 13.300 14.264 1.00 0.00 C ATOM 0 H LEU B 59 -11.897 15.529 15.057 1.00 0.00 H new ATOM 0 HA LEU B 59 -9.843 17.650 14.802 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -8.663 15.803 13.425 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -8.503 15.782 15.170 1.00 0.00 H new ATOM 0 HG LEU B 59 -10.324 14.070 15.310 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -11.095 12.962 13.273 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -11.553 14.681 13.278 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -10.187 14.127 12.281 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -8.919 12.266 14.283 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -8.057 13.493 13.325 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -7.892 13.470 15.096 1.00 0.00 H new ATOM 268 N LYS B 60 -10.161 17.246 12.087 1.00 0.00 N ATOM 269 CA LYS B 60 -10.661 17.499 10.743 1.00 0.00 C ATOM 270 C LYS B 60 -9.734 16.912 9.680 1.00 0.00 C ATOM 271 O LYS B 60 -8.674 17.475 9.413 1.00 0.00 O ATOM 272 CB LYS B 60 -10.806 19.004 10.523 1.00 0.00 C ATOM 273 CG LYS B 60 -11.867 19.620 11.439 1.00 0.00 C ATOM 274 CD LYS B 60 -11.834 21.143 11.344 1.00 0.00 C ATOM 275 CE LYS B 60 -10.503 21.638 11.907 1.00 0.00 C ATOM 276 NZ LYS B 60 -10.441 23.112 11.924 1.00 0.00 N ATOM 0 H LYS B 60 -9.145 17.282 12.164 1.00 0.00 H new ATOM 0 HA LYS B 60 -11.633 17.014 10.649 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -9.847 19.490 10.702 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -11.071 19.194 9.483 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -12.855 19.253 11.160 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -11.691 19.310 12.469 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -11.947 21.460 10.307 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -12.665 21.575 11.902 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -10.369 21.255 12.919 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -9.683 21.245 11.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -9.525 23.416 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -10.545 23.475 10.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -11.209 23.485 12.517 1.00 0.00 H new ATOM 290 N TYR B 61 -10.118 15.787 9.070 1.00 0.00 N ATOM 291 CA TYR B 61 -9.349 15.212 7.973 1.00 0.00 C ATOM 292 C TYR B 61 -9.685 15.899 6.654 1.00 0.00 C ATOM 293 O TYR B 61 -10.795 16.390 6.455 1.00 0.00 O ATOM 294 CB TYR B 61 -9.635 13.714 7.854 1.00 0.00 C ATOM 295 CG TYR B 61 -8.951 12.888 8.919 1.00 0.00 C ATOM 296 CD1 TYR B 61 -9.510 12.797 10.200 1.00 0.00 C ATOM 297 CD2 TYR B 61 -7.755 12.218 8.625 1.00 0.00 C ATOM 298 CE1 TYR B 61 -8.864 12.053 11.196 1.00 0.00 C ATOM 299 CE2 TYR B 61 -7.122 11.441 9.605 1.00 0.00 C ATOM 300 CZ TYR B 61 -7.675 11.356 10.898 1.00 0.00 C ATOM 301 OH TYR B 61 -7.063 10.608 11.858 1.00 0.00 O ATOM 0 H TYR B 61 -10.955 15.261 9.320 1.00 0.00 H new ATOM 0 HA TYR B 61 -8.291 15.364 8.188 1.00 0.00 H new ATOM 0 HB2 TYR B 61 -10.711 13.551 7.913 1.00 0.00 H new ATOM 0 HB3 TYR B 61 -9.313 13.367 6.872 1.00 0.00 H new ATOM 0 HD1 TYR B 61 -10.440 13.301 10.420 1.00 0.00 H new ATOM 0 HD2 TYR B 61 -7.320 12.301 7.640 1.00 0.00 H new ATOM 0 HE1 TYR B 61 -9.277 12.013 12.193 1.00 0.00 H new ATOM 0 HE2 TYR B 61 -6.212 10.909 9.369 1.00 0.00 H new ATOM 0 HH TYR B 61 -7.735 10.264 12.483 1.00 0.00 H new ATOM 311 N ASP B 62 -8.699 15.919 5.757 1.00 0.00 N ATOM 312 CA ASP B 62 -8.844 16.434 4.406 1.00 0.00 C ATOM 313 C ASP B 62 -8.070 15.563 3.423 1.00 0.00 C ATOM 314 O ASP B 62 -6.844 15.522 3.457 1.00 0.00 O ATOM 315 CB ASP B 62 -8.365 17.886 4.329 1.00 0.00 C ATOM 316 CG ASP B 62 -9.321 18.841 5.039 1.00 0.00 C ATOM 317 OD1 ASP B 62 -10.403 19.100 4.467 1.00 0.00 O ATOM 318 OD2 ASP B 62 -8.965 19.305 6.145 1.00 0.00 O ATOM 0 H ASP B 62 -7.762 15.570 5.958 1.00 0.00 H new ATOM 0 HA ASP B 62 -9.900 16.408 4.137 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -7.374 17.965 4.777 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -8.267 18.181 3.284 1.00 0.00 H new ATOM 323 N PHE B 63 -8.787 14.862 2.543 1.00 0.00 N ATOM 324 CA PHE B 63 -8.183 14.074 1.477 1.00 0.00 C ATOM 325 C PHE B 63 -7.532 14.993 0.449 1.00 0.00 C ATOM 326 O PHE B 63 -8.001 16.108 0.225 1.00 0.00 O ATOM 327 CB PHE B 63 -9.286 13.251 0.814 1.00 0.00 C ATOM 328 CG PHE B 63 -8.915 12.660 -0.529 1.00 0.00 C ATOM 329 CD1 PHE B 63 -8.296 11.405 -0.605 1.00 0.00 C ATOM 330 CD2 PHE B 63 -9.193 13.372 -1.705 1.00 0.00 C ATOM 331 CE1 PHE B 63 -7.958 10.865 -1.853 1.00 0.00 C ATOM 332 CE2 PHE B 63 -8.855 12.830 -2.954 1.00 0.00 C ATOM 333 CZ PHE B 63 -8.238 11.575 -3.028 1.00 0.00 C ATOM 0 H PHE B 63 -9.806 14.827 2.553 1.00 0.00 H new ATOM 0 HA PHE B 63 -7.414 13.418 1.885 1.00 0.00 H new ATOM 0 HB2 PHE B 63 -9.570 12.441 1.486 1.00 0.00 H new ATOM 0 HB3 PHE B 63 -10.165 13.883 0.687 1.00 0.00 H new ATOM 0 HD1 PHE B 63 -8.079 10.854 0.298 1.00 0.00 H new ATOM 0 HD2 PHE B 63 -9.669 14.340 -1.649 1.00 0.00 H new ATOM 0 HE1 PHE B 63 -7.480 9.898 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE B 63 -9.070 13.380 -3.858 1.00 0.00 H new ATOM 0 HZ PHE B 63 -7.979 11.155 -3.989 1.00 0.00 H new ATOM 343 N LEU B 64 -6.449 14.516 -0.173 1.00 0.00 N ATOM 344 CA LEU B 64 -5.735 15.225 -1.221 1.00 0.00 C ATOM 345 C LEU B 64 -5.513 14.299 -2.422 1.00 0.00 C ATOM 346 O LEU B 64 -5.571 13.074 -2.305 1.00 0.00 O ATOM 347 CB LEU B 64 -4.394 15.766 -0.700 1.00 0.00 C ATOM 348 CG LEU B 64 -4.442 17.091 0.073 1.00 0.00 C ATOM 349 CD1 LEU B 64 -5.390 18.119 -0.545 1.00 0.00 C ATOM 350 CD2 LEU B 64 -4.845 16.872 1.526 1.00 0.00 C ATOM 0 H LEU B 64 -6.042 13.607 0.048 1.00 0.00 H new ATOM 0 HA LEU B 64 -6.339 16.075 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.950 15.010 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -3.724 15.892 -1.550 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.429 17.488 0.019 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -5.376 19.032 0.051 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -5.069 18.345 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -6.402 17.715 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -4.869 17.830 2.045 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -5.833 16.413 1.564 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.121 16.216 2.009 1.00 0.00 H new ATOM 362 N SER B 65 -5.257 14.930 -3.574 1.00 0.00 N ATOM 363 CA SER B 65 -5.236 14.343 -4.911 1.00 0.00 C ATOM 364 C SER B 65 -4.348 13.111 -5.081 1.00 0.00 C ATOM 365 O SER B 65 -3.624 12.703 -4.177 1.00 0.00 O ATOM 366 CB SER B 65 -4.823 15.423 -5.914 1.00 0.00 C ATOM 367 OG SER B 65 -5.669 16.548 -5.791 1.00 0.00 O ATOM 0 H SER B 65 -5.046 15.928 -3.594 1.00 0.00 H new ATOM 0 HA SER B 65 -6.247 13.979 -5.091 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.788 15.716 -5.739 1.00 0.00 H new ATOM 0 HB3 SER B 65 -4.876 15.028 -6.928 1.00 0.00 H new ATOM 0 HG SER B 65 -5.396 17.234 -6.435 1.00 0.00 H new ATOM 373 N GLU B 66 -4.421 12.517 -6.278 1.00 0.00 N ATOM 374 CA GLU B 66 -3.743 11.275 -6.621 1.00 0.00 C ATOM 375 C GLU B 66 -2.750 11.447 -7.773 1.00 0.00 C ATOM 376 O GLU B 66 -2.668 12.508 -8.391 1.00 0.00 O ATOM 377 CB GLU B 66 -4.787 10.200 -6.951 1.00 0.00 C ATOM 378 CG GLU B 66 -5.934 10.679 -7.849 1.00 0.00 C ATOM 379 CD GLU B 66 -5.457 11.330 -9.146 1.00 0.00 C ATOM 380 OE1 GLU B 66 -4.899 10.598 -9.994 1.00 0.00 O ATOM 381 OE2 GLU B 66 -5.656 12.558 -9.279 1.00 0.00 O ATOM 0 H GLU B 66 -4.968 12.901 -7.049 1.00 0.00 H new ATOM 0 HA GLU B 66 -3.156 10.963 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -4.286 9.363 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -5.206 9.821 -6.019 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -6.575 9.831 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -6.545 11.393 -7.296 1.00 0.00 H new ATOM 388 N SER B 67 -1.993 10.381 -8.053 1.00 0.00 N ATOM 389 CA SER B 67 -1.033 10.332 -9.146 1.00 0.00 C ATOM 390 C SER B 67 -0.701 8.875 -9.485 1.00 0.00 C ATOM 391 O SER B 67 -1.174 7.957 -8.816 1.00 0.00 O ATOM 392 CB SER B 67 0.233 11.085 -8.731 1.00 0.00 C ATOM 393 OG SER B 67 1.107 11.220 -9.831 1.00 0.00 O ATOM 0 H SER B 67 -2.036 9.516 -7.514 1.00 0.00 H new ATOM 0 HA SER B 67 -1.458 10.803 -10.032 1.00 0.00 H new ATOM 0 HB2 SER B 67 -0.032 12.070 -8.345 1.00 0.00 H new ATOM 0 HB3 SER B 67 0.734 10.551 -7.924 1.00 0.00 H new ATOM 0 HG SER B 67 1.912 11.705 -9.552 1.00 0.00 H new ATOM 399 N GLY B 68 0.114 8.663 -10.524 1.00 0.00 N ATOM 400 CA GLY B 68 0.591 7.348 -10.931 1.00 0.00 C ATOM 401 C GLY B 68 -0.376 6.606 -11.847 1.00 0.00 C ATOM 402 O GLY B 68 -1.488 7.066 -12.109 1.00 0.00 O ATOM 0 H GLY B 68 0.464 9.419 -11.113 1.00 0.00 H new ATOM 0 HA2 GLY B 68 1.548 7.459 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY B 68 0.772 6.745 -10.041 1.00 0.00 H new ATOM 406 N GLU B 69 0.070 5.443 -12.332 1.00 0.00 N ATOM 407 CA GLU B 69 -0.720 4.570 -13.188 1.00 0.00 C ATOM 408 C GLU B 69 -1.716 3.764 -12.351 1.00 0.00 C ATOM 409 O GLU B 69 -1.688 3.823 -11.126 1.00 0.00 O ATOM 410 CB GLU B 69 0.211 3.622 -13.946 1.00 0.00 C ATOM 411 CG GLU B 69 1.200 4.384 -14.832 1.00 0.00 C ATOM 412 CD GLU B 69 0.478 5.238 -15.872 1.00 0.00 C ATOM 413 OE1 GLU B 69 -0.191 4.642 -16.743 1.00 0.00 O ATOM 414 OE2 GLU B 69 0.600 6.481 -15.788 1.00 0.00 O ATOM 0 H GLU B 69 1.003 5.082 -12.135 1.00 0.00 H new ATOM 0 HA GLU B 69 -1.277 5.179 -13.900 1.00 0.00 H new ATOM 0 HB2 GLU B 69 0.761 3.006 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU B 69 -0.382 2.945 -14.562 1.00 0.00 H new ATOM 0 HG2 GLU B 69 1.830 5.021 -14.211 1.00 0.00 H new ATOM 0 HG3 GLU B 69 1.859 3.676 -15.335 1.00 0.00 H new ATOM 421 N SER B 70 -2.603 3.006 -13.005 1.00 0.00 N ATOM 422 CA SER B 70 -3.627 2.229 -12.313 1.00 0.00 C ATOM 423 C SER B 70 -3.052 1.058 -11.513 1.00 0.00 C ATOM 424 O SER B 70 -3.782 0.431 -10.749 1.00 0.00 O ATOM 425 CB SER B 70 -4.634 1.698 -13.332 1.00 0.00 C ATOM 426 OG SER B 70 -5.207 2.772 -14.049 1.00 0.00 O ATOM 0 H SER B 70 -2.628 2.917 -14.021 1.00 0.00 H new ATOM 0 HA SER B 70 -4.109 2.898 -11.600 1.00 0.00 H new ATOM 0 HB2 SER B 70 -4.140 1.013 -14.021 1.00 0.00 H new ATOM 0 HB3 SER B 70 -5.414 1.132 -12.824 1.00 0.00 H new ATOM 0 HG SER B 70 -5.850 2.424 -14.701 1.00 0.00 H new ATOM 432 N HIS B 71 -1.761 0.752 -11.674 1.00 0.00 N ATOM 433 CA HIS B 71 -1.111 -0.366 -10.996 1.00 0.00 C ATOM 434 C HIS B 71 -0.052 0.117 -10.003 1.00 0.00 C ATOM 435 O HIS B 71 0.557 -0.688 -9.298 1.00 0.00 O ATOM 436 CB HIS B 71 -0.483 -1.280 -12.049 1.00 0.00 C ATOM 437 CG HIS B 71 0.499 -0.547 -12.923 1.00 0.00 C ATOM 438 ND1 HIS B 71 0.206 0.072 -14.116 1.00 0.00 N ATOM 439 CD2 HIS B 71 1.835 -0.373 -12.680 1.00 0.00 C ATOM 440 CE1 HIS B 71 1.342 0.631 -14.570 1.00 0.00 C ATOM 441 NE2 HIS B 71 2.365 0.381 -13.733 1.00 0.00 N ATOM 0 H HIS B 71 -1.136 1.279 -12.284 1.00 0.00 H new ATOM 0 HA HIS B 71 -1.858 -0.916 -10.424 1.00 0.00 H new ATOM 0 HB2 HIS B 71 0.022 -2.109 -11.554 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -1.269 -1.710 -12.670 1.00 0.00 H new ATOM 0 HD2 HIS B 71 2.382 -0.750 -11.828 1.00 0.00 H new ATOM 0 HE1 HIS B 71 1.422 1.203 -15.483 1.00 0.00 H new ATOM 0 HE2 HIS B 71 3.334 0.681 -13.844 1.00 0.00 H new ATOM 449 N ALA B 72 0.166 1.431 -9.948 1.00 0.00 N ATOM 450 CA ALA B 72 1.139 2.066 -9.073 1.00 0.00 C ATOM 451 C ALA B 72 0.526 3.325 -8.458 1.00 0.00 C ATOM 452 O ALA B 72 1.242 4.191 -7.955 1.00 0.00 O ATOM 453 CB ALA B 72 2.394 2.392 -9.883 1.00 0.00 C ATOM 0 H ALA B 72 -0.345 2.097 -10.528 1.00 0.00 H new ATOM 0 HA ALA B 72 1.417 1.396 -8.259 1.00 0.00 H new ATOM 0 HB1 ALA B 72 3.131 2.869 -9.236 1.00 0.00 H new ATOM 0 HB2 ALA B 72 2.812 1.472 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.136 3.068 -10.698 1.00 0.00 H new ATOM 459 N LYS B 73 -0.808 3.412 -8.506 1.00 0.00 N ATOM 460 CA LYS B 73 -1.570 4.578 -8.093 1.00 0.00 C ATOM 461 C LYS B 73 -1.244 4.977 -6.659 1.00 0.00 C ATOM 462 O LYS B 73 -0.869 4.139 -5.840 1.00 0.00 O ATOM 463 CB LYS B 73 -3.064 4.259 -8.240 1.00 0.00 C ATOM 464 CG LYS B 73 -3.915 5.527 -8.346 1.00 0.00 C ATOM 465 CD LYS B 73 -3.744 6.168 -9.723 1.00 0.00 C ATOM 466 CE LYS B 73 -4.420 7.536 -9.753 1.00 0.00 C ATOM 467 NZ LYS B 73 -4.246 8.179 -11.067 1.00 0.00 N ATOM 0 H LYS B 73 -1.395 2.649 -8.843 1.00 0.00 H new ATOM 0 HA LYS B 73 -1.304 5.424 -8.727 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -3.218 3.644 -9.127 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -3.395 3.671 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -4.964 5.284 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -3.624 6.234 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -2.684 6.272 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -4.176 5.524 -10.489 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -5.482 7.426 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -3.999 8.171 -8.974 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -4.332 9.210 -10.963 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -3.306 7.947 -11.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -4.977 7.835 -11.722 1.00 0.00 H new ATOM 481 N SER B 74 -1.393 6.267 -6.362 1.00 0.00 N ATOM 482 CA SER B 74 -1.218 6.789 -5.020 1.00 0.00 C ATOM 483 C SER B 74 -2.258 7.865 -4.745 1.00 0.00 C ATOM 484 O SER B 74 -2.806 8.463 -5.669 1.00 0.00 O ATOM 485 CB SER B 74 0.195 7.347 -4.849 1.00 0.00 C ATOM 486 OG SER B 74 0.421 8.399 -5.767 1.00 0.00 O ATOM 0 H SER B 74 -1.639 6.977 -7.052 1.00 0.00 H new ATOM 0 HA SER B 74 -1.354 5.980 -4.302 1.00 0.00 H new ATOM 0 HB2 SER B 74 0.330 7.709 -3.830 1.00 0.00 H new ATOM 0 HB3 SER B 74 0.928 6.555 -5.005 1.00 0.00 H new ATOM 0 HG SER B 74 1.328 8.749 -5.646 1.00 0.00 H new ATOM 492 N PHE B 75 -2.521 8.104 -3.461 1.00 0.00 N ATOM 493 CA PHE B 75 -3.472 9.085 -2.970 1.00 0.00 C ATOM 494 C PHE B 75 -2.895 9.677 -1.694 1.00 0.00 C ATOM 495 O PHE B 75 -1.874 9.190 -1.208 1.00 0.00 O ATOM 496 CB PHE B 75 -4.805 8.397 -2.664 1.00 0.00 C ATOM 497 CG PHE B 75 -5.373 7.609 -3.821 1.00 0.00 C ATOM 498 CD1 PHE B 75 -4.870 6.332 -4.101 1.00 0.00 C ATOM 499 CD2 PHE B 75 -6.395 8.151 -4.614 1.00 0.00 C ATOM 500 CE1 PHE B 75 -5.366 5.604 -5.191 1.00 0.00 C ATOM 501 CE2 PHE B 75 -6.888 7.424 -5.707 1.00 0.00 C ATOM 502 CZ PHE B 75 -6.367 6.157 -5.999 1.00 0.00 C ATOM 0 H PHE B 75 -2.056 7.596 -2.709 1.00 0.00 H new ATOM 0 HA PHE B 75 -3.646 9.864 -3.712 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -4.669 7.728 -1.814 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -5.530 9.152 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -4.098 5.908 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE B 75 -6.801 9.125 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE B 75 -4.977 4.620 -5.407 1.00 0.00 H new ATOM 0 HE2 PHE B 75 -7.670 7.841 -6.324 1.00 0.00 H new ATOM 0 HZ PHE B 75 -6.738 5.605 -6.850 1.00 0.00 H new ATOM 512 N VAL B 76 -3.517 10.715 -1.135 1.00 0.00 N ATOM 513 CA VAL B 76 -3.020 11.209 0.140 1.00 0.00 C ATOM 514 C VAL B 76 -4.149 11.768 0.993 1.00 0.00 C ATOM 515 O VAL B 76 -5.198 12.159 0.489 1.00 0.00 O ATOM 516 CB VAL B 76 -1.865 12.200 -0.100 1.00 0.00 C ATOM 517 CG1 VAL B 76 -2.088 13.072 -1.333 1.00 0.00 C ATOM 518 CG2 VAL B 76 -1.583 13.100 1.102 1.00 0.00 C ATOM 0 H VAL B 76 -4.323 11.206 -1.522 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.609 10.383 0.720 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.994 11.566 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.245 13.752 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.175 12.439 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -3.004 13.649 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -0.759 13.774 0.867 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.473 13.684 1.336 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.315 12.486 1.962 1.00 0.00 H new ATOM 528 N MET B 77 -3.909 11.796 2.303 1.00 0.00 N ATOM 529 CA MET B 77 -4.792 12.399 3.282 1.00 0.00 C ATOM 530 C MET B 77 -3.979 13.412 4.070 1.00 0.00 C ATOM 531 O MET B 77 -2.759 13.306 4.172 1.00 0.00 O ATOM 532 CB MET B 77 -5.300 11.336 4.263 1.00 0.00 C ATOM 533 CG MET B 77 -6.247 10.319 3.632 1.00 0.00 C ATOM 534 SD MET B 77 -7.790 10.997 2.973 1.00 0.00 S ATOM 535 CE MET B 77 -8.505 11.703 4.479 1.00 0.00 C ATOM 0 H MET B 77 -3.071 11.387 2.717 1.00 0.00 H new ATOM 0 HA MET B 77 -5.641 12.861 2.777 1.00 0.00 H new ATOM 0 HB2 MET B 77 -4.446 10.809 4.687 1.00 0.00 H new ATOM 0 HB3 MET B 77 -5.811 11.831 5.089 1.00 0.00 H new ATOM 0 HG2 MET B 77 -5.720 9.810 2.825 1.00 0.00 H new ATOM 0 HG3 MET B 77 -6.492 9.564 4.379 1.00 0.00 H new ATOM 0 HE1 MET B 77 -9.579 11.516 4.494 1.00 0.00 H new ATOM 0 HE2 MET B 77 -8.043 11.241 5.352 1.00 0.00 H new ATOM 0 HE3 MET B 77 -8.324 12.778 4.499 1.00 0.00 H new ATOM 545 N SER B 78 -4.672 14.398 4.628 1.00 0.00 N ATOM 546 CA SER B 78 -4.102 15.306 5.601 1.00 0.00 C ATOM 547 C SER B 78 -5.076 15.418 6.763 1.00 0.00 C ATOM 548 O SER B 78 -6.212 14.955 6.666 1.00 0.00 O ATOM 549 CB SER B 78 -3.811 16.664 4.965 1.00 0.00 C ATOM 550 OG SER B 78 -5.016 17.293 4.592 1.00 0.00 O ATOM 0 H SER B 78 -5.651 14.586 4.413 1.00 0.00 H new ATOM 0 HA SER B 78 -3.148 14.927 5.967 1.00 0.00 H new ATOM 0 HB2 SER B 78 -3.265 17.294 5.668 1.00 0.00 H new ATOM 0 HB3 SER B 78 -3.173 16.535 4.091 1.00 0.00 H new ATOM 0 HG SER B 78 -5.610 16.638 4.169 1.00 0.00 H new ATOM 556 N VAL B 79 -4.647 16.028 7.867 1.00 0.00 N ATOM 557 CA VAL B 79 -5.527 16.193 9.010 1.00 0.00 C ATOM 558 C VAL B 79 -5.203 17.495 9.724 1.00 0.00 C ATOM 559 O VAL B 79 -4.110 18.040 9.573 1.00 0.00 O ATOM 560 CB VAL B 79 -5.381 15.029 10.004 1.00 0.00 C ATOM 561 CG1 VAL B 79 -6.705 14.776 10.721 1.00 0.00 C ATOM 562 CG2 VAL B 79 -4.845 13.736 9.395 1.00 0.00 C ATOM 0 H VAL B 79 -3.709 16.409 7.989 1.00 0.00 H new ATOM 0 HA VAL B 79 -6.553 16.209 8.641 1.00 0.00 H new ATOM 0 HB VAL B 79 -4.622 15.347 10.719 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -6.587 13.949 11.422 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -7.002 15.673 11.265 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -7.473 14.525 9.989 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.775 12.971 10.168 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.520 13.397 8.609 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -3.857 13.915 8.972 1.00 0.00 H new ATOM 572 N VAL B 80 -6.165 17.984 10.504 1.00 0.00 N ATOM 573 CA VAL B 80 -5.980 19.106 11.402 1.00 0.00 C ATOM 574 C VAL B 80 -6.559 18.713 12.748 1.00 0.00 C ATOM 575 O VAL B 80 -7.773 18.600 12.904 1.00 0.00 O ATOM 576 CB VAL B 80 -6.632 20.381 10.870 1.00 0.00 C ATOM 577 CG1 VAL B 80 -6.411 21.513 11.874 1.00 0.00 C ATOM 578 CG2 VAL B 80 -6.019 20.785 9.531 1.00 0.00 C ATOM 0 H VAL B 80 -7.110 17.600 10.525 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.918 19.332 11.494 1.00 0.00 H new ATOM 0 HB VAL B 80 -7.697 20.195 10.730 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.874 22.426 11.500 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.859 21.244 12.830 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.342 21.677 12.008 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.499 21.695 9.171 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.951 20.963 9.659 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.169 19.985 8.806 1.00 0.00 H new ATOM 588 N VAL B 81 -5.673 18.506 13.718 1.00 0.00 N ATOM 589 CA VAL B 81 -6.058 18.096 15.060 1.00 0.00 C ATOM 590 C VAL B 81 -5.309 18.955 16.071 1.00 0.00 C ATOM 591 O VAL B 81 -4.118 19.207 15.906 1.00 0.00 O ATOM 592 CB VAL B 81 -5.762 16.601 15.250 1.00 0.00 C ATOM 593 CG1 VAL B 81 -4.358 16.243 14.769 1.00 0.00 C ATOM 594 CG2 VAL B 81 -5.927 16.196 16.715 1.00 0.00 C ATOM 0 H VAL B 81 -4.667 18.619 13.593 1.00 0.00 H new ATOM 0 HA VAL B 81 -7.128 18.240 15.212 1.00 0.00 H new ATOM 0 HB VAL B 81 -6.482 16.049 14.646 1.00 0.00 H new ATOM 0 HG11 VAL B 81 -4.183 15.178 14.919 1.00 0.00 H new ATOM 0 HG12 VAL B 81 -4.265 16.481 13.709 1.00 0.00 H new ATOM 0 HG13 VAL B 81 -3.623 16.815 15.335 1.00 0.00 H new ATOM 0 HG21 VAL B 81 -5.712 15.133 16.825 1.00 0.00 H new ATOM 0 HG22 VAL B 81 -5.237 16.771 17.332 1.00 0.00 H new ATOM 0 HG23 VAL B 81 -6.950 16.394 17.034 1.00 0.00 H new ATOM 604 N ASP B 82 -6.007 19.405 17.117 1.00 0.00 N ATOM 605 CA ASP B 82 -5.442 20.270 18.151 1.00 0.00 C ATOM 606 C ASP B 82 -4.837 21.560 17.575 1.00 0.00 C ATOM 607 O ASP B 82 -4.145 22.294 18.278 1.00 0.00 O ATOM 608 CB ASP B 82 -4.440 19.458 18.979 1.00 0.00 C ATOM 609 CG ASP B 82 -3.910 20.233 20.184 1.00 0.00 C ATOM 610 OD1 ASP B 82 -4.747 20.664 21.008 1.00 0.00 O ATOM 611 OD2 ASP B 82 -2.671 20.386 20.268 1.00 0.00 O ATOM 0 H ASP B 82 -6.989 19.176 17.270 1.00 0.00 H new ATOM 0 HA ASP B 82 -6.242 20.612 18.807 1.00 0.00 H new ATOM 0 HB2 ASP B 82 -4.918 18.541 19.323 1.00 0.00 H new ATOM 0 HB3 ASP B 82 -3.604 19.164 18.345 1.00 0.00 H new ATOM 616 N GLY B 83 -5.095 21.841 16.293 1.00 0.00 N ATOM 617 CA GLY B 83 -4.572 23.008 15.596 1.00 0.00 C ATOM 618 C GLY B 83 -3.325 22.668 14.788 1.00 0.00 C ATOM 619 O GLY B 83 -2.872 23.480 13.982 1.00 0.00 O ATOM 0 H GLY B 83 -5.684 21.250 15.706 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -5.338 23.409 14.932 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -4.336 23.789 16.319 1.00 0.00 H new ATOM 623 N GLN B 84 -2.771 21.473 14.999 1.00 0.00 N ATOM 624 CA GLN B 84 -1.618 20.998 14.258 1.00 0.00 C ATOM 625 C GLN B 84 -2.078 20.477 12.898 1.00 0.00 C ATOM 626 O GLN B 84 -3.277 20.327 12.667 1.00 0.00 O ATOM 627 CB GLN B 84 -0.938 19.883 15.056 1.00 0.00 C ATOM 628 CG GLN B 84 -0.492 20.403 16.422 1.00 0.00 C ATOM 629 CD GLN B 84 0.202 19.325 17.244 1.00 0.00 C ATOM 630 OE1 GLN B 84 1.111 18.654 16.764 1.00 0.00 O ATOM 631 NE2 GLN B 84 -0.220 19.149 18.496 1.00 0.00 N ATOM 0 H GLN B 84 -3.116 20.810 15.693 1.00 0.00 H new ATOM 0 HA GLN B 84 -0.906 21.809 14.103 1.00 0.00 H new ATOM 0 HB2 GLN B 84 -1.626 19.047 15.185 1.00 0.00 H new ATOM 0 HB3 GLN B 84 -0.077 19.505 14.505 1.00 0.00 H new ATOM 0 HG2 GLN B 84 0.185 21.247 16.286 1.00 0.00 H new ATOM 0 HG3 GLN B 84 -1.358 20.775 16.969 1.00 0.00 H new ATOM 0 HE21 GLN B 84 -0.978 19.724 18.864 1.00 0.00 H new ATOM 0 HE22 GLN B 84 0.215 18.440 19.086 1.00 0.00 H new ATOM 640 N PHE B 85 -1.135 20.199 11.995 1.00 0.00 N ATOM 641 CA PHE B 85 -1.445 19.703 10.663 1.00 0.00 C ATOM 642 C PHE B 85 -0.579 18.492 10.341 1.00 0.00 C ATOM 643 O PHE B 85 0.585 18.435 10.735 1.00 0.00 O ATOM 644 CB PHE B 85 -1.217 20.814 9.637 1.00 0.00 C ATOM 645 CG PHE B 85 -1.336 20.347 8.201 1.00 0.00 C ATOM 646 CD1 PHE B 85 -2.590 20.290 7.578 1.00 0.00 C ATOM 647 CD2 PHE B 85 -0.188 19.969 7.491 1.00 0.00 C ATOM 648 CE1 PHE B 85 -2.697 19.854 6.251 1.00 0.00 C ATOM 649 CE2 PHE B 85 -0.293 19.533 6.163 1.00 0.00 C ATOM 650 CZ PHE B 85 -1.548 19.476 5.541 1.00 0.00 C ATOM 0 H PHE B 85 -0.137 20.313 12.172 1.00 0.00 H new ATOM 0 HA PHE B 85 -2.491 19.397 10.626 1.00 0.00 H new ATOM 0 HB2 PHE B 85 -1.939 21.612 9.812 1.00 0.00 H new ATOM 0 HB3 PHE B 85 -0.226 21.241 9.790 1.00 0.00 H new ATOM 0 HD1 PHE B 85 -3.476 20.583 8.122 1.00 0.00 H new ATOM 0 HD2 PHE B 85 0.780 20.014 7.968 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -3.665 19.809 5.774 1.00 0.00 H new ATOM 0 HE2 PHE B 85 0.593 19.241 5.619 1.00 0.00 H new ATOM 0 HZ PHE B 85 -1.630 19.142 4.517 1.00 0.00 H new ATOM 660 N PHE B 86 -1.154 17.523 9.620 1.00 0.00 N ATOM 661 CA PHE B 86 -0.450 16.308 9.238 1.00 0.00 C ATOM 662 C PHE B 86 -0.772 15.895 7.807 1.00 0.00 C ATOM 663 O PHE B 86 -1.712 16.405 7.203 1.00 0.00 O ATOM 664 CB PHE B 86 -0.824 15.195 10.217 1.00 0.00 C ATOM 665 CG PHE B 86 -0.466 15.555 11.636 1.00 0.00 C ATOM 666 CD1 PHE B 86 -1.364 16.281 12.433 1.00 0.00 C ATOM 667 CD2 PHE B 86 0.777 15.171 12.151 1.00 0.00 C ATOM 668 CE1 PHE B 86 -1.004 16.650 13.735 1.00 0.00 C ATOM 669 CE2 PHE B 86 1.131 15.527 13.455 1.00 0.00 C ATOM 670 CZ PHE B 86 0.243 16.268 14.251 1.00 0.00 C ATOM 0 H PHE B 86 -2.118 17.565 9.289 1.00 0.00 H new ATOM 0 HA PHE B 86 0.623 16.495 9.279 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -1.894 14.997 10.151 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -0.312 14.275 9.935 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -2.333 16.555 12.042 1.00 0.00 H new ATOM 0 HD2 PHE B 86 1.462 14.600 11.541 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -1.686 17.228 14.341 1.00 0.00 H new ATOM 0 HE2 PHE B 86 2.091 15.231 13.852 1.00 0.00 H new ATOM 0 HZ PHE B 86 0.519 16.543 15.258 1.00 0.00 H new ATOM 680 N GLU B 87 0.019 14.964 7.269 1.00 0.00 N ATOM 681 CA GLU B 87 -0.145 14.445 5.920 1.00 0.00 C ATOM 682 C GLU B 87 0.278 12.973 5.888 1.00 0.00 C ATOM 683 O GLU B 87 0.967 12.506 6.794 1.00 0.00 O ATOM 684 CB GLU B 87 0.695 15.299 4.964 1.00 0.00 C ATOM 685 CG GLU B 87 0.411 14.970 3.498 1.00 0.00 C ATOM 686 CD GLU B 87 1.171 15.921 2.575 1.00 0.00 C ATOM 687 OE1 GLU B 87 2.340 15.605 2.257 1.00 0.00 O ATOM 688 OE2 GLU B 87 0.579 16.955 2.193 1.00 0.00 O ATOM 0 H GLU B 87 0.803 14.546 7.771 1.00 0.00 H new ATOM 0 HA GLU B 87 -1.187 14.497 5.606 1.00 0.00 H new ATOM 0 HB2 GLU B 87 0.489 16.354 5.145 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.753 15.141 5.172 1.00 0.00 H new ATOM 0 HG2 GLU B 87 0.702 13.941 3.288 1.00 0.00 H new ATOM 0 HG3 GLU B 87 -0.659 15.044 3.304 1.00 0.00 H new ATOM 695 N GLY B 88 -0.129 12.239 4.851 1.00 0.00 N ATOM 696 CA GLY B 88 0.195 10.828 4.717 1.00 0.00 C ATOM 697 C GLY B 88 -0.339 10.267 3.404 1.00 0.00 C ATOM 698 O GLY B 88 -1.546 10.096 3.253 1.00 0.00 O ATOM 0 H GLY B 88 -0.691 12.610 4.085 1.00 0.00 H new ATOM 0 HA2 GLY B 88 1.276 10.694 4.761 1.00 0.00 H new ATOM 0 HA3 GLY B 88 -0.230 10.273 5.553 1.00 0.00 H new ATOM 702 N SER B 89 0.554 9.980 2.452 1.00 0.00 N ATOM 703 CA SER B 89 0.161 9.369 1.190 1.00 0.00 C ATOM 704 C SER B 89 0.100 7.846 1.317 1.00 0.00 C ATOM 705 O SER B 89 0.592 7.276 2.291 1.00 0.00 O ATOM 706 CB SER B 89 1.135 9.786 0.088 1.00 0.00 C ATOM 707 OG SER B 89 2.443 9.363 0.408 1.00 0.00 O ATOM 0 H SER B 89 1.554 10.163 2.537 1.00 0.00 H new ATOM 0 HA SER B 89 -0.837 9.718 0.927 1.00 0.00 H new ATOM 0 HB2 SER B 89 0.827 9.352 -0.863 1.00 0.00 H new ATOM 0 HB3 SER B 89 1.115 10.869 -0.035 1.00 0.00 H new ATOM 0 HG SER B 89 3.058 9.634 -0.305 1.00 0.00 H new ATOM 713 N GLY B 90 -0.503 7.184 0.327 1.00 0.00 N ATOM 714 CA GLY B 90 -0.620 5.735 0.305 1.00 0.00 C ATOM 715 C GLY B 90 -1.125 5.245 -1.051 1.00 0.00 C ATOM 716 O GLY B 90 -1.494 6.050 -1.902 1.00 0.00 O ATOM 0 H GLY B 90 -0.923 7.644 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY B 90 0.349 5.285 0.520 1.00 0.00 H new ATOM 0 HA3 GLY B 90 -1.303 5.410 1.090 1.00 0.00 H new ATOM 720 N ARG B 91 -1.143 3.924 -1.255 1.00 0.00 N ATOM 721 CA ARG B 91 -1.602 3.329 -2.507 1.00 0.00 C ATOM 722 C ARG B 91 -3.117 3.431 -2.669 1.00 0.00 C ATOM 723 O ARG B 91 -3.629 3.244 -3.770 1.00 0.00 O ATOM 724 CB ARG B 91 -1.215 1.851 -2.544 1.00 0.00 C ATOM 725 CG ARG B 91 0.302 1.666 -2.612 1.00 0.00 C ATOM 726 CD ARG B 91 0.633 0.177 -2.717 1.00 0.00 C ATOM 727 NE ARG B 91 0.112 -0.405 -3.964 1.00 0.00 N ATOM 728 CZ ARG B 91 0.759 -0.402 -5.135 1.00 0.00 C ATOM 729 NH1 ARG B 91 1.975 0.129 -5.242 1.00 0.00 N ATOM 730 NH2 ARG B 91 0.188 -0.932 -6.214 1.00 0.00 N ATOM 0 H ARG B 91 -0.841 3.243 -0.559 1.00 0.00 H new ATOM 0 HA ARG B 91 -1.128 3.880 -3.319 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -1.603 1.351 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG B 91 -1.679 1.375 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG B 91 0.705 2.200 -3.472 1.00 0.00 H new ATOM 0 HG3 ARG B 91 0.771 2.091 -1.724 1.00 0.00 H new ATOM 0 HD2 ARG B 91 1.713 0.040 -2.674 1.00 0.00 H new ATOM 0 HD3 ARG B 91 0.210 -0.352 -1.863 1.00 0.00 H new ATOM 0 HE ARG B 91 -0.809 -0.842 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG B 91 2.425 0.541 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG B 91 2.456 0.124 -6.141 1.00 0.00 H new ATOM 0 HH21 ARG B 91 -0.744 -1.341 -6.149 1.00 0.00 H new ATOM 0 HH22 ARG B 91 0.682 -0.929 -7.106 1.00 0.00 H new ATOM 744 N ASN B 92 -3.826 3.725 -1.580 1.00 0.00 N ATOM 745 CA ASN B 92 -5.275 3.827 -1.550 1.00 0.00 C ATOM 746 C ASN B 92 -5.694 4.790 -0.442 1.00 0.00 C ATOM 747 O ASN B 92 -4.879 5.153 0.407 1.00 0.00 O ATOM 748 CB ASN B 92 -5.891 2.437 -1.343 1.00 0.00 C ATOM 749 CG ASN B 92 -5.282 1.667 -0.177 1.00 0.00 C ATOM 750 OD1 ASN B 92 -4.079 1.435 -0.127 1.00 0.00 O ATOM 751 ND2 ASN B 92 -6.116 1.263 0.777 1.00 0.00 N ATOM 0 H ASN B 92 -3.393 3.902 -0.674 1.00 0.00 H new ATOM 0 HA ASN B 92 -5.639 4.218 -2.500 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -6.963 2.545 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -5.768 1.855 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -5.760 0.744 1.580 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -7.112 1.472 0.706 1.00 0.00 H new ATOM 758 N LYS B 93 -6.963 5.208 -0.444 1.00 0.00 N ATOM 759 CA LYS B 93 -7.475 6.184 0.511 1.00 0.00 C ATOM 760 C LYS B 93 -7.367 5.694 1.954 1.00 0.00 C ATOM 761 O LYS B 93 -7.057 6.479 2.847 1.00 0.00 O ATOM 762 CB LYS B 93 -8.936 6.493 0.176 1.00 0.00 C ATOM 763 CG LYS B 93 -9.044 7.163 -1.197 1.00 0.00 C ATOM 764 CD LYS B 93 -10.499 7.476 -1.546 1.00 0.00 C ATOM 765 CE LYS B 93 -11.284 6.181 -1.762 1.00 0.00 C ATOM 766 NZ LYS B 93 -12.697 6.461 -2.077 1.00 0.00 N ATOM 0 H LYS B 93 -7.661 4.877 -1.110 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.866 7.084 0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -9.519 5.572 0.184 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.360 7.146 0.939 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -8.460 8.083 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -8.617 6.510 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.956 8.056 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.540 8.089 -2.447 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -10.834 5.611 -2.574 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -11.224 5.562 -0.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.205 5.565 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -13.131 6.985 -1.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.753 7.031 -2.945 1.00 0.00 H new ATOM 780 N LYS B 94 -7.620 4.402 2.189 1.00 0.00 N ATOM 781 CA LYS B 94 -7.596 3.829 3.531 1.00 0.00 C ATOM 782 C LYS B 94 -6.176 3.827 4.093 1.00 0.00 C ATOM 783 O LYS B 94 -5.964 4.156 5.257 1.00 0.00 O ATOM 784 CB LYS B 94 -8.138 2.395 3.492 1.00 0.00 C ATOM 785 CG LYS B 94 -9.521 2.320 2.835 1.00 0.00 C ATOM 786 CD LYS B 94 -9.935 0.858 2.647 1.00 0.00 C ATOM 787 CE LYS B 94 -10.287 0.188 3.974 1.00 0.00 C ATOM 788 NZ LYS B 94 -11.606 0.629 4.463 1.00 0.00 N ATOM 0 H LYS B 94 -7.846 3.730 1.455 1.00 0.00 H new ATOM 0 HA LYS B 94 -8.225 4.440 4.179 1.00 0.00 H new ATOM 0 HB2 LYS B 94 -7.442 1.759 2.945 1.00 0.00 H new ATOM 0 HB3 LYS B 94 -8.197 2.002 4.507 1.00 0.00 H new ATOM 0 HG2 LYS B 94 -10.255 2.837 3.453 1.00 0.00 H new ATOM 0 HG3 LYS B 94 -9.502 2.828 1.871 1.00 0.00 H new ATOM 0 HD2 LYS B 94 -10.793 0.807 1.977 1.00 0.00 H new ATOM 0 HD3 LYS B 94 -9.123 0.310 2.168 1.00 0.00 H new ATOM 0 HE2 LYS B 94 -10.287 -0.895 3.849 1.00 0.00 H new ATOM 0 HE3 LYS B 94 -9.524 0.423 4.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 94 -11.847 0.107 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 94 -11.577 1.648 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 94 -12.326 0.444 3.736 1.00 0.00 H new ATOM 802 N LEU B 95 -5.203 3.451 3.256 1.00 0.00 N ATOM 803 CA LEU B 95 -3.803 3.355 3.644 1.00 0.00 C ATOM 804 C LEU B 95 -3.238 4.749 3.908 1.00 0.00 C ATOM 805 O LEU B 95 -2.472 4.948 4.849 1.00 0.00 O ATOM 806 CB LEU B 95 -3.068 2.622 2.511 1.00 0.00 C ATOM 807 CG LEU B 95 -1.652 2.117 2.818 1.00 0.00 C ATOM 808 CD1 LEU B 95 -0.594 3.200 2.638 1.00 0.00 C ATOM 809 CD2 LEU B 95 -1.559 1.520 4.220 1.00 0.00 C ATOM 0 H LEU B 95 -5.373 3.203 2.281 1.00 0.00 H new ATOM 0 HA LEU B 95 -3.677 2.795 4.571 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -3.675 1.769 2.209 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -3.011 3.292 1.653 1.00 0.00 H new ATOM 0 HG LEU B 95 -1.448 1.331 2.091 1.00 0.00 H new ATOM 0 HD11 LEU B 95 0.389 2.790 2.868 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -0.608 3.554 1.607 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -0.806 4.031 3.310 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -0.542 1.173 4.401 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -1.820 2.280 4.957 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -2.249 0.680 4.304 1.00 0.00 H new ATOM 821 N ALA B 96 -3.621 5.717 3.071 1.00 0.00 N ATOM 822 CA ALA B 96 -3.202 7.102 3.223 1.00 0.00 C ATOM 823 C ALA B 96 -3.653 7.670 4.570 1.00 0.00 C ATOM 824 O ALA B 96 -2.872 8.327 5.256 1.00 0.00 O ATOM 825 CB ALA B 96 -3.783 7.914 2.066 1.00 0.00 C ATOM 0 H ALA B 96 -4.231 5.556 2.270 1.00 0.00 H new ATOM 0 HA ALA B 96 -2.114 7.158 3.202 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -3.479 8.956 2.164 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -3.414 7.516 1.121 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -4.871 7.850 2.087 1.00 0.00 H new ATOM 831 N LYS B 97 -4.909 7.424 4.963 1.00 0.00 N ATOM 832 CA LYS B 97 -5.420 7.912 6.238 1.00 0.00 C ATOM 833 C LYS B 97 -4.687 7.257 7.399 1.00 0.00 C ATOM 834 O LYS B 97 -4.459 7.907 8.413 1.00 0.00 O ATOM 835 CB LYS B 97 -6.920 7.638 6.341 1.00 0.00 C ATOM 836 CG LYS B 97 -7.583 8.591 7.336 1.00 0.00 C ATOM 837 CD LYS B 97 -8.957 8.038 7.715 1.00 0.00 C ATOM 838 CE LYS B 97 -9.654 8.923 8.748 1.00 0.00 C ATOM 839 NZ LYS B 97 -10.238 10.123 8.122 1.00 0.00 N ATOM 0 H LYS B 97 -5.584 6.891 4.414 1.00 0.00 H new ATOM 0 HA LYS B 97 -5.250 8.988 6.288 1.00 0.00 H new ATOM 0 HB2 LYS B 97 -7.382 7.751 5.360 1.00 0.00 H new ATOM 0 HB3 LYS B 97 -7.085 6.607 6.654 1.00 0.00 H new ATOM 0 HG2 LYS B 97 -6.962 8.698 8.225 1.00 0.00 H new ATOM 0 HG3 LYS B 97 -7.685 9.583 6.896 1.00 0.00 H new ATOM 0 HD2 LYS B 97 -9.578 7.961 6.822 1.00 0.00 H new ATOM 0 HD3 LYS B 97 -8.847 7.030 8.114 1.00 0.00 H new ATOM 0 HE2 LYS B 97 -10.438 8.354 9.248 1.00 0.00 H new ATOM 0 HE3 LYS B 97 -8.939 9.222 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 -9.624 10.943 8.302 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 -10.323 9.973 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 -11.180 10.301 8.525 1.00 0.00 H new ATOM 853 N ALA B 98 -4.314 5.982 7.272 1.00 0.00 N ATOM 854 CA ALA B 98 -3.618 5.287 8.344 1.00 0.00 C ATOM 855 C ALA B 98 -2.241 5.905 8.575 1.00 0.00 C ATOM 856 O ALA B 98 -1.741 5.889 9.697 1.00 0.00 O ATOM 857 CB ALA B 98 -3.497 3.804 7.995 1.00 0.00 C ATOM 0 H ALA B 98 -4.483 5.417 6.440 1.00 0.00 H new ATOM 0 HA ALA B 98 -4.188 5.387 9.268 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -2.976 3.283 8.798 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -4.492 3.377 7.871 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -2.937 3.693 7.067 1.00 0.00 H new ATOM 863 N ARG B 99 -1.623 6.449 7.522 1.00 0.00 N ATOM 864 CA ARG B 99 -0.325 7.098 7.629 1.00 0.00 C ATOM 865 C ARG B 99 -0.452 8.470 8.289 1.00 0.00 C ATOM 866 O ARG B 99 0.263 8.765 9.245 1.00 0.00 O ATOM 867 CB ARG B 99 0.279 7.209 6.229 1.00 0.00 C ATOM 868 CG ARG B 99 1.730 7.680 6.314 1.00 0.00 C ATOM 869 CD ARG B 99 2.338 7.656 4.916 1.00 0.00 C ATOM 870 NE ARG B 99 3.736 8.095 4.931 1.00 0.00 N ATOM 871 CZ ARG B 99 4.481 8.236 3.831 1.00 0.00 C ATOM 872 NH1 ARG B 99 3.967 7.979 2.631 1.00 0.00 N ATOM 873 NH2 ARG B 99 5.746 8.636 3.929 1.00 0.00 N ATOM 0 H ARG B 99 -2.011 6.449 6.579 1.00 0.00 H new ATOM 0 HA ARG B 99 0.333 6.503 8.262 1.00 0.00 H new ATOM 0 HB2 ARG B 99 0.232 6.242 5.727 1.00 0.00 H new ATOM 0 HB3 ARG B 99 -0.303 7.908 5.629 1.00 0.00 H new ATOM 0 HG2 ARG B 99 1.776 8.687 6.728 1.00 0.00 H new ATOM 0 HG3 ARG B 99 2.298 7.034 6.983 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.277 6.647 4.509 1.00 0.00 H new ATOM 0 HD3 ARG B 99 1.760 8.302 4.255 1.00 0.00 H new ATOM 0 HE ARG B 99 4.165 8.305 5.832 1.00 0.00 H new ATOM 0 HH11 ARG B 99 2.998 7.672 2.546 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.542 8.089 1.796 1.00 0.00 H new ATOM 0 HH21 ARG B 99 6.148 8.835 4.845 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.314 8.743 3.088 1.00 0.00 H new ATOM 887 N ALA B 100 -1.360 9.309 7.783 1.00 0.00 N ATOM 888 CA ALA B 100 -1.581 10.643 8.318 1.00 0.00 C ATOM 889 C ALA B 100 -2.123 10.580 9.743 1.00 0.00 C ATOM 890 O ALA B 100 -1.759 11.401 10.583 1.00 0.00 O ATOM 891 CB ALA B 100 -2.566 11.378 7.410 1.00 0.00 C ATOM 0 H ALA B 100 -1.959 9.077 6.991 1.00 0.00 H new ATOM 0 HA ALA B 100 -0.632 11.178 8.350 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -2.741 12.381 7.800 1.00 0.00 H new ATOM 0 HB2 ALA B 100 -2.152 11.447 6.404 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -3.509 10.831 7.378 1.00 0.00 H new ATOM 897 N ALA B 101 -2.995 9.605 10.018 1.00 0.00 N ATOM 898 CA ALA B 101 -3.584 9.430 11.332 1.00 0.00 C ATOM 899 C ALA B 101 -2.549 8.905 12.324 1.00 0.00 C ATOM 900 O ALA B 101 -2.568 9.283 13.493 1.00 0.00 O ATOM 901 CB ALA B 101 -4.759 8.460 11.215 1.00 0.00 C ATOM 0 H ALA B 101 -3.307 8.919 9.330 1.00 0.00 H new ATOM 0 HA ALA B 101 -3.937 10.391 11.705 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -5.213 8.318 12.196 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -5.500 8.868 10.528 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -4.403 7.501 10.838 1.00 0.00 H new ATOM 907 N GLN B 102 -1.638 8.036 11.872 1.00 0.00 N ATOM 908 CA GLN B 102 -0.573 7.539 12.728 1.00 0.00 C ATOM 909 C GLN B 102 0.375 8.682 13.088 1.00 0.00 C ATOM 910 O GLN B 102 0.891 8.718 14.205 1.00 0.00 O ATOM 911 CB GLN B 102 0.138 6.383 12.018 1.00 0.00 C ATOM 912 CG GLN B 102 1.395 5.894 12.744 1.00 0.00 C ATOM 913 CD GLN B 102 2.604 6.797 12.514 1.00 0.00 C ATOM 914 OE1 GLN B 102 2.850 7.254 11.401 1.00 0.00 O ATOM 915 NE2 GLN B 102 3.371 7.063 13.569 1.00 0.00 N ATOM 0 H GLN B 102 -1.623 7.668 10.921 1.00 0.00 H new ATOM 0 HA GLN B 102 -0.977 7.155 13.665 1.00 0.00 H new ATOM 0 HB2 GLN B 102 -0.557 5.550 11.913 1.00 0.00 H new ATOM 0 HB3 GLN B 102 0.411 6.699 11.011 1.00 0.00 H new ATOM 0 HG2 GLN B 102 1.191 5.834 13.813 1.00 0.00 H new ATOM 0 HG3 GLN B 102 1.633 4.885 12.408 1.00 0.00 H new ATOM 0 HE21 GLN B 102 3.140 6.668 14.480 1.00 0.00 H new ATOM 0 HE22 GLN B 102 4.190 7.662 13.466 1.00 0.00 H new ATOM 924 N SER B 103 0.611 9.614 12.159 1.00 0.00 N ATOM 925 CA SER B 103 1.441 10.776 12.446 1.00 0.00 C ATOM 926 C SER B 103 0.727 11.692 13.436 1.00 0.00 C ATOM 927 O SER B 103 1.335 12.173 14.392 1.00 0.00 O ATOM 928 CB SER B 103 1.737 11.544 11.158 1.00 0.00 C ATOM 929 OG SER B 103 2.467 10.729 10.266 1.00 0.00 O ATOM 0 H SER B 103 0.239 9.582 11.210 1.00 0.00 H new ATOM 0 HA SER B 103 2.381 10.437 12.881 1.00 0.00 H new ATOM 0 HB2 SER B 103 0.804 11.862 10.692 1.00 0.00 H new ATOM 0 HB3 SER B 103 2.304 12.447 11.385 1.00 0.00 H new ATOM 0 HG SER B 103 1.867 10.067 9.862 1.00 0.00 H new ATOM 935 N ALA B 104 -0.567 11.930 13.203 1.00 0.00 N ATOM 936 CA ALA B 104 -1.383 12.764 14.066 1.00 0.00 C ATOM 937 C ALA B 104 -1.380 12.213 15.492 1.00 0.00 C ATOM 938 O ALA B 104 -1.253 12.971 16.452 1.00 0.00 O ATOM 939 CB ALA B 104 -2.800 12.815 13.495 1.00 0.00 C ATOM 0 H ALA B 104 -1.072 11.544 12.405 1.00 0.00 H new ATOM 0 HA ALA B 104 -0.976 13.775 14.106 1.00 0.00 H new ATOM 0 HB1 ALA B 104 -3.427 13.438 14.132 1.00 0.00 H new ATOM 0 HB2 ALA B 104 -2.772 13.236 12.490 1.00 0.00 H new ATOM 0 HB3 ALA B 104 -3.213 11.807 13.455 1.00 0.00 H new ATOM 945 N LEU B 105 -1.520 10.892 15.626 1.00 0.00 N ATOM 946 CA LEU B 105 -1.489 10.200 16.904 1.00 0.00 C ATOM 947 C LEU B 105 -0.133 10.407 17.572 1.00 0.00 C ATOM 948 O LEU B 105 -0.056 11.032 18.626 1.00 0.00 O ATOM 949 CB LEU B 105 -1.784 8.717 16.639 1.00 0.00 C ATOM 950 CG LEU B 105 -2.047 7.884 17.898 1.00 0.00 C ATOM 951 CD1 LEU B 105 -2.555 6.511 17.468 1.00 0.00 C ATOM 952 CD2 LEU B 105 -0.793 7.667 18.746 1.00 0.00 C ATOM 0 H LEU B 105 -1.660 10.268 14.832 1.00 0.00 H new ATOM 0 HA LEU B 105 -2.241 10.595 17.588 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -2.652 8.644 15.983 1.00 0.00 H new ATOM 0 HB3 LEU B 105 -0.941 8.283 16.102 1.00 0.00 H new ATOM 0 HG LEU B 105 -2.771 8.432 18.501 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -2.748 5.902 18.351 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -3.477 6.626 16.898 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.803 6.023 16.848 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -1.045 7.070 19.623 1.00 0.00 H new ATOM 0 HD22 LEU B 105 -0.041 7.144 18.156 1.00 0.00 H new ATOM 0 HD23 LEU B 105 -0.398 8.632 19.065 1.00 0.00 H new ATOM 964 N ALA B 106 0.938 9.886 16.965 1.00 0.00 N ATOM 965 CA ALA B 106 2.268 9.906 17.553 1.00 0.00 C ATOM 966 C ALA B 106 2.786 11.316 17.859 1.00 0.00 C ATOM 967 O ALA B 106 3.791 11.455 18.557 1.00 0.00 O ATOM 968 CB ALA B 106 3.228 9.178 16.613 1.00 0.00 C ATOM 0 H ALA B 106 0.900 9.439 16.049 1.00 0.00 H new ATOM 0 HA ALA B 106 2.207 9.401 18.517 1.00 0.00 H new ATOM 0 HB1 ALA B 106 4.231 9.185 17.040 1.00 0.00 H new ATOM 0 HB2 ALA B 106 2.897 8.148 16.481 1.00 0.00 H new ATOM 0 HB3 ALA B 106 3.242 9.681 15.646 1.00 0.00 H new ATOM 974 N THR B 107 2.131 12.365 17.356 1.00 0.00 N ATOM 975 CA THR B 107 2.534 13.731 17.669 1.00 0.00 C ATOM 976 C THR B 107 1.632 14.341 18.736 1.00 0.00 C ATOM 977 O THR B 107 2.115 14.751 19.789 1.00 0.00 O ATOM 978 CB THR B 107 2.528 14.585 16.405 1.00 0.00 C ATOM 979 OG1 THR B 107 3.391 14.005 15.450 1.00 0.00 O ATOM 980 CG2 THR B 107 3.031 15.991 16.728 1.00 0.00 C ATOM 0 H THR B 107 1.325 12.292 16.735 1.00 0.00 H new ATOM 0 HA THR B 107 3.548 13.704 18.068 1.00 0.00 H new ATOM 0 HB THR B 107 1.512 14.639 16.014 1.00 0.00 H new ATOM 0 HG1 THR B 107 2.905 13.321 14.943 1.00 0.00 H new ATOM 0 HG21 THR B 107 3.025 16.597 15.822 1.00 0.00 H new ATOM 0 HG22 THR B 107 2.381 16.448 17.474 1.00 0.00 H new ATOM 0 HG23 THR B 107 4.047 15.933 17.119 1.00 0.00 H new ATOM 988 N VAL B 108 0.323 14.407 18.472 1.00 0.00 N ATOM 989 CA VAL B 108 -0.625 15.053 19.370 1.00 0.00 C ATOM 990 C VAL B 108 -0.741 14.299 20.692 1.00 0.00 C ATOM 991 O VAL B 108 -1.050 14.903 21.719 1.00 0.00 O ATOM 992 CB VAL B 108 -1.990 15.138 18.674 1.00 0.00 C ATOM 993 CG1 VAL B 108 -3.041 15.832 19.537 1.00 0.00 C ATOM 994 CG2 VAL B 108 -1.861 15.943 17.383 1.00 0.00 C ATOM 0 H VAL B 108 -0.102 14.014 17.632 1.00 0.00 H new ATOM 0 HA VAL B 108 -0.267 16.056 19.602 1.00 0.00 H new ATOM 0 HB VAL B 108 -2.306 14.113 18.482 1.00 0.00 H new ATOM 0 HG11 VAL B 108 -3.988 15.866 18.999 1.00 0.00 H new ATOM 0 HG12 VAL B 108 -3.172 15.278 20.467 1.00 0.00 H new ATOM 0 HG13 VAL B 108 -2.714 16.847 19.762 1.00 0.00 H new ATOM 0 HG21 VAL B 108 -2.832 16.001 16.892 1.00 0.00 H new ATOM 0 HG22 VAL B 108 -1.511 16.949 17.615 1.00 0.00 H new ATOM 0 HG23 VAL B 108 -1.147 15.455 16.719 1.00 0.00 H new ATOM 1004 N PHE B 109 -0.498 12.984 20.684 1.00 0.00 N ATOM 1005 CA PHE B 109 -0.624 12.169 21.884 1.00 0.00 C ATOM 1006 C PHE B 109 0.709 12.052 22.620 1.00 0.00 C ATOM 1007 O PHE B 109 0.749 11.475 23.704 1.00 0.00 O ATOM 1008 CB PHE B 109 -1.119 10.767 21.522 1.00 0.00 C ATOM 1009 CG PHE B 109 -2.520 10.655 20.946 1.00 0.00 C ATOM 1010 CD1 PHE B 109 -3.242 11.775 20.503 1.00 0.00 C ATOM 1011 CD2 PHE B 109 -3.110 9.387 20.857 1.00 0.00 C ATOM 1012 CE1 PHE B 109 -4.546 11.633 20.013 1.00 0.00 C ATOM 1013 CE2 PHE B 109 -4.409 9.240 20.360 1.00 0.00 C ATOM 1014 CZ PHE B 109 -5.137 10.366 19.956 1.00 0.00 C ATOM 0 H PHE B 109 -0.212 12.465 19.854 1.00 0.00 H new ATOM 0 HA PHE B 109 -1.344 12.659 22.539 1.00 0.00 H new ATOM 0 HB2 PHE B 109 -0.422 10.338 20.802 1.00 0.00 H new ATOM 0 HB3 PHE B 109 -1.072 10.150 22.419 1.00 0.00 H new ATOM 0 HD1 PHE B 109 -2.788 12.754 20.541 1.00 0.00 H new ATOM 0 HD2 PHE B 109 -2.557 8.516 21.175 1.00 0.00 H new ATOM 0 HE1 PHE B 109 -5.095 12.501 19.679 1.00 0.00 H new ATOM 0 HE2 PHE B 109 -4.851 8.257 20.288 1.00 0.00 H new ATOM 0 HZ PHE B 109 -6.151 10.257 19.602 1.00 0.00 H new ATOM 1024 N ASN B 110 1.796 12.588 22.048 1.00 0.00 N ATOM 1025 CA ASN B 110 3.135 12.497 22.619 1.00 0.00 C ATOM 1026 C ASN B 110 3.588 11.043 22.808 1.00 0.00 C ATOM 1027 O ASN B 110 4.494 10.773 23.595 1.00 0.00 O ATOM 1028 CB ASN B 110 3.204 13.298 23.923 1.00 0.00 C ATOM 1029 CG ASN B 110 2.902 14.776 23.710 1.00 0.00 C ATOM 1030 OD1 ASN B 110 3.786 15.619 23.828 1.00 0.00 O ATOM 1031 ND2 ASN B 110 1.650 15.105 23.397 1.00 0.00 N ATOM 0 H ASN B 110 1.764 13.101 21.167 1.00 0.00 H new ATOM 0 HA ASN B 110 3.837 12.937 21.911 1.00 0.00 H new ATOM 0 HB2 ASN B 110 2.494 12.884 24.639 1.00 0.00 H new ATOM 0 HB3 ASN B 110 4.197 13.192 24.360 1.00 0.00 H new ATOM 0 HD21 ASN B 110 1.402 16.083 23.248 1.00 0.00 H new ATOM 0 HD22 ASN B 110 0.939 14.379 23.307 1.00 0.00 H new ATOM 1038 N LEU B 111 2.959 10.110 22.086 1.00 0.00 N ATOM 1039 CA LEU B 111 3.227 8.681 22.172 1.00 0.00 C ATOM 1040 C LEU B 111 3.621 8.135 20.800 1.00 0.00 C ATOM 1041 O LEU B 111 3.953 8.903 19.901 1.00 0.00 O ATOM 1042 CB LEU B 111 1.991 7.972 22.739 1.00 0.00 C ATOM 1043 CG LEU B 111 1.737 8.344 24.204 1.00 0.00 C ATOM 1044 CD1 LEU B 111 0.347 7.857 24.608 1.00 0.00 C ATOM 1045 CD2 LEU B 111 2.774 7.694 25.118 1.00 0.00 C ATOM 0 H LEU B 111 2.231 10.340 21.409 1.00 0.00 H new ATOM 0 HA LEU B 111 4.065 8.496 22.844 1.00 0.00 H new ATOM 0 HB2 LEU B 111 1.117 8.233 22.142 1.00 0.00 H new ATOM 0 HB3 LEU B 111 2.122 6.893 22.656 1.00 0.00 H new ATOM 0 HG LEU B 111 1.809 9.427 24.306 1.00 0.00 H new ATOM 0 HD11 LEU B 111 0.159 8.118 25.649 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -0.403 8.330 23.974 1.00 0.00 H new ATOM 0 HD13 LEU B 111 0.292 6.775 24.489 1.00 0.00 H new ATOM 0 HD21 LEU B 111 2.573 7.973 26.152 1.00 0.00 H new ATOM 0 HD22 LEU B 111 2.719 6.610 25.017 1.00 0.00 H new ATOM 0 HD23 LEU B 111 3.771 8.035 24.838 1.00 0.00 H new ATOM 1057 N HIS B 112 3.585 6.811 20.633 1.00 0.00 N ATOM 1058 CA HIS B 112 3.850 6.174 19.352 1.00 0.00 C ATOM 1059 C HIS B 112 2.854 5.035 19.132 1.00 0.00 C ATOM 1060 O HIS B 112 2.223 4.566 20.080 1.00 0.00 O ATOM 1061 CB HIS B 112 5.293 5.674 19.324 1.00 0.00 C ATOM 1062 CG HIS B 112 5.743 5.205 17.968 1.00 0.00 C ATOM 1063 ND1 HIS B 112 5.542 3.956 17.426 1.00 0.00 N ATOM 1064 CD2 HIS B 112 6.430 5.953 17.052 1.00 0.00 C ATOM 1065 CE1 HIS B 112 6.107 3.955 16.206 1.00 0.00 C ATOM 1066 NE2 HIS B 112 6.658 5.149 15.932 1.00 0.00 N ATOM 0 H HIS B 112 3.371 6.155 21.385 1.00 0.00 H new ATOM 0 HA HIS B 112 3.724 6.891 18.541 1.00 0.00 H new ATOM 0 HB2 HIS B 112 5.952 6.475 19.659 1.00 0.00 H new ATOM 0 HB3 HIS B 112 5.399 4.855 20.036 1.00 0.00 H new ATOM 0 HD1 HIS B 112 5.055 3.176 17.868 1.00 0.00 H new ATOM 0 HD2 HIS B 112 6.740 6.980 17.173 1.00 0.00 H new ATOM 0 HE1 HIS B 112 6.117 3.108 15.536 1.00 0.00 H new ATOM 1074 N LEU B 113 2.713 4.591 17.880 1.00 0.00 N ATOM 1075 CA LEU B 113 1.815 3.505 17.525 1.00 0.00 C ATOM 1076 C LEU B 113 2.348 2.174 18.058 1.00 0.00 C ATOM 1077 O LEU B 113 1.530 1.406 18.609 1.00 0.00 O ATOM 1078 CB LEU B 113 1.644 3.480 16.002 1.00 0.00 C ATOM 1079 CG LEU B 113 0.579 2.473 15.560 1.00 0.00 C ATOM 1080 CD1 LEU B 113 -0.783 2.841 16.143 1.00 0.00 C ATOM 1081 CD2 LEU B 113 0.467 2.495 14.038 1.00 0.00 C ATOM 1082 OXT LEU B 113 3.568 1.938 17.908 1.00 0.00 O ATOM 0 H LEU B 113 3.223 4.980 17.087 1.00 0.00 H new ATOM 0 HA LEU B 113 0.839 3.664 17.983 1.00 0.00 H new ATOM 0 HB2 LEU B 113 1.369 4.475 15.652 1.00 0.00 H new ATOM 0 HB3 LEU B 113 2.596 3.229 15.535 1.00 0.00 H new ATOM 0 HG LEU B 113 0.871 1.484 15.914 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.527 2.114 15.818 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -0.725 2.839 17.231 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.071 3.834 15.797 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.290 1.779 13.719 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.184 3.495 13.708 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.428 2.227 13.599 1.00 0.00 H new