USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=15 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 Set 1.1: B 77 MET CE :methyl 164:sc= -1.1 (180deg=-1.76) USER MOD Set 1.2: B 97 LYS NZ :NH3+ 143:sc= 2.01 (180deg=0.679) USER MOD Single : B 50 MET CE :methyl 169:sc=-0.00444 (180deg=-0.167) USER MOD Single : B 53 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.17) 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 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 71 HIS : no HD1:sc= -0.661 X(o=-0.66,f=-0.58) USER MOD Single : B 73 LYS NZ :NH3+ -152:sc= 1.93 (180deg=1.32) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot -52:sc= 0.975 USER MOD Single : B 84 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-2.1!) USER MOD Single : B 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0.521 K(o=0.52,f=-9.1!) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0132) USER MOD Single : B 102 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.7) USER MOD Single : B 103 SER OG : rot 75:sc= 0.0794 USER MOD Single : B 107 THR OG1 : rot 86:sc= 0.133 USER MOD Single : B 110 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.085) USER MOD Single : B 112 HIS : no HE2:sc= 0.203 K(o=0.2,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 71 N PRO B 48 -3.914 1.875 13.122 1.00 0.00 N ATOM 72 CA PRO B 48 -3.539 2.752 14.221 1.00 0.00 C ATOM 73 C PRO B 48 -4.403 4.014 14.254 1.00 0.00 C ATOM 74 O PRO B 48 -4.371 4.760 15.232 1.00 0.00 O ATOM 75 CB PRO B 48 -2.071 3.099 13.969 1.00 0.00 C ATOM 76 CG PRO B 48 -1.940 3.015 12.452 1.00 0.00 C ATOM 77 CD PRO B 48 -2.901 1.890 12.080 1.00 0.00 C ATOM 0 HA PRO B 48 -3.687 2.269 15.187 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -1.825 4.094 14.338 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -1.402 2.399 14.469 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -2.215 3.954 11.972 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -0.918 2.788 12.148 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -3.349 2.065 11.102 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -2.381 0.933 12.026 1.00 0.00 H new ATOM 85 N VAL B 49 -5.176 4.255 13.188 1.00 0.00 N ATOM 86 CA VAL B 49 -6.058 5.409 13.091 1.00 0.00 C ATOM 87 C VAL B 49 -7.092 5.378 14.211 1.00 0.00 C ATOM 88 O VAL B 49 -7.271 6.368 14.919 1.00 0.00 O ATOM 89 CB VAL B 49 -6.764 5.416 11.734 1.00 0.00 C ATOM 90 CG1 VAL B 49 -7.662 6.646 11.625 1.00 0.00 C ATOM 91 CG2 VAL B 49 -5.747 5.440 10.594 1.00 0.00 C ATOM 0 H VAL B 49 -5.202 3.648 12.369 1.00 0.00 H new ATOM 0 HA VAL B 49 -5.460 6.315 13.187 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.363 4.509 11.657 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -8.163 6.646 10.657 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -8.408 6.623 12.419 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -7.057 7.548 11.721 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.272 5.445 9.639 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -5.131 6.336 10.674 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -5.111 4.557 10.655 1.00 0.00 H new ATOM 101 N MET B 50 -7.775 4.241 14.374 1.00 0.00 N ATOM 102 CA MET B 50 -8.825 4.112 15.372 1.00 0.00 C ATOM 103 C MET B 50 -8.260 4.210 16.788 1.00 0.00 C ATOM 104 O MET B 50 -8.908 4.772 17.666 1.00 0.00 O ATOM 105 CB MET B 50 -9.556 2.785 15.161 1.00 0.00 C ATOM 106 CG MET B 50 -10.740 2.657 16.120 1.00 0.00 C ATOM 107 SD MET B 50 -11.959 3.999 16.022 1.00 0.00 S ATOM 108 CE MET B 50 -12.556 3.751 14.334 1.00 0.00 C ATOM 0 H MET B 50 -7.614 3.398 13.823 1.00 0.00 H new ATOM 0 HA MET B 50 -9.531 4.934 15.254 1.00 0.00 H new ATOM 0 HB2 MET B 50 -9.908 2.718 14.131 1.00 0.00 H new ATOM 0 HB3 MET B 50 -8.866 1.956 15.316 1.00 0.00 H new ATOM 0 HG2 MET B 50 -11.246 1.712 15.923 1.00 0.00 H new ATOM 0 HG3 MET B 50 -10.358 2.608 17.140 1.00 0.00 H new ATOM 0 HE1 MET B 50 -13.445 4.360 14.169 1.00 0.00 H new ATOM 0 HE2 MET B 50 -11.779 4.043 13.627 1.00 0.00 H new ATOM 0 HE3 MET B 50 -12.805 2.700 14.187 1.00 0.00 H new ATOM 118 N ILE B 51 -7.059 3.670 17.023 1.00 0.00 N ATOM 119 CA ILE B 51 -6.442 3.725 18.342 1.00 0.00 C ATOM 120 C ILE B 51 -6.314 5.179 18.769 1.00 0.00 C ATOM 121 O ILE B 51 -6.782 5.572 19.835 1.00 0.00 O ATOM 122 CB ILE B 51 -5.041 3.105 18.304 1.00 0.00 C ATOM 123 CG1 ILE B 51 -5.045 1.711 17.674 1.00 0.00 C ATOM 124 CG2 ILE B 51 -4.473 3.044 19.723 1.00 0.00 C ATOM 125 CD1 ILE B 51 -3.607 1.213 17.540 1.00 0.00 C ATOM 0 H ILE B 51 -6.501 3.192 16.316 1.00 0.00 H new ATOM 0 HA ILE B 51 -7.064 3.169 19.044 1.00 0.00 H new ATOM 0 HB ILE B 51 -4.410 3.737 17.679 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -5.624 1.023 18.290 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -5.524 1.743 16.695 1.00 0.00 H new ATOM 0 HG21 ILE B 51 -3.476 2.603 19.697 1.00 0.00 H new ATOM 0 HG22 ILE B 51 -4.414 4.051 20.135 1.00 0.00 H new ATOM 0 HG23 ILE B 51 -5.124 2.434 20.349 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -3.606 0.220 17.091 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -3.042 1.898 16.907 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -3.145 1.166 18.526 1.00 0.00 H new ATOM 137 N LEU B 52 -5.670 5.975 17.914 1.00 0.00 N ATOM 138 CA LEU B 52 -5.461 7.393 18.122 1.00 0.00 C ATOM 139 C LEU B 52 -6.809 8.089 18.323 1.00 0.00 C ATOM 140 O LEU B 52 -6.993 8.829 19.288 1.00 0.00 O ATOM 141 CB LEU B 52 -4.698 7.918 16.900 1.00 0.00 C ATOM 142 CG LEU B 52 -3.999 9.266 17.115 1.00 0.00 C ATOM 143 CD1 LEU B 52 -3.264 9.642 15.832 1.00 0.00 C ATOM 144 CD2 LEU B 52 -4.969 10.399 17.438 1.00 0.00 C ATOM 0 H LEU B 52 -5.273 5.635 17.038 1.00 0.00 H new ATOM 0 HA LEU B 52 -4.876 7.595 19.019 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -3.952 7.179 16.609 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -5.394 8.013 16.067 1.00 0.00 H new ATOM 0 HG LEU B 52 -3.326 9.145 17.964 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -2.761 10.599 15.968 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -2.526 8.875 15.597 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -3.979 9.721 15.013 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -4.412 11.325 17.579 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -5.674 10.520 16.615 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -5.515 10.161 18.351 1.00 0.00 H new ATOM 156 N ASN B 53 -7.754 7.848 17.408 1.00 0.00 N ATOM 157 CA ASN B 53 -9.071 8.467 17.431 1.00 0.00 C ATOM 158 C ASN B 53 -9.906 8.040 18.645 1.00 0.00 C ATOM 159 O ASN B 53 -10.964 8.617 18.891 1.00 0.00 O ATOM 160 CB ASN B 53 -9.790 8.119 16.124 1.00 0.00 C ATOM 161 CG ASN B 53 -11.063 8.934 15.944 1.00 0.00 C ATOM 162 OD1 ASN B 53 -11.040 10.160 16.025 1.00 0.00 O ATOM 163 ND2 ASN B 53 -12.184 8.263 15.697 1.00 0.00 N ATOM 0 H ASN B 53 -7.618 7.209 16.624 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.945 9.546 17.521 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -9.121 8.299 15.282 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -10.034 7.057 16.115 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -13.062 8.766 15.568 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -12.166 7.245 15.636 1.00 0.00 H new ATOM 170 N GLU B 54 -9.450 7.041 19.408 1.00 0.00 N ATOM 171 CA GLU B 54 -10.137 6.604 20.616 1.00 0.00 C ATOM 172 C GLU B 54 -9.375 7.042 21.862 1.00 0.00 C ATOM 173 O GLU B 54 -9.991 7.334 22.886 1.00 0.00 O ATOM 174 CB GLU B 54 -10.264 5.080 20.613 1.00 0.00 C ATOM 175 CG GLU B 54 -11.347 4.612 19.639 1.00 0.00 C ATOM 176 CD GLU B 54 -11.445 3.083 19.612 1.00 0.00 C ATOM 177 OE1 GLU B 54 -10.449 2.422 19.986 1.00 0.00 O ATOM 178 OE2 GLU B 54 -12.518 2.577 19.215 1.00 0.00 O ATOM 0 H GLU B 54 -8.598 6.519 19.202 1.00 0.00 H new ATOM 0 HA GLU B 54 -11.127 7.060 20.632 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -9.308 4.634 20.338 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -10.501 4.731 21.618 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -12.308 5.036 19.929 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -11.125 4.982 18.638 1.00 0.00 H new ATOM 185 N LEU B 55 -8.041 7.090 21.788 1.00 0.00 N ATOM 186 CA LEU B 55 -7.222 7.501 22.916 1.00 0.00 C ATOM 187 C LEU B 55 -7.334 9.006 23.128 1.00 0.00 C ATOM 188 O LEU B 55 -7.596 9.459 24.243 1.00 0.00 O ATOM 189 CB LEU B 55 -5.770 7.090 22.658 1.00 0.00 C ATOM 190 CG LEU B 55 -4.991 6.917 23.967 1.00 0.00 C ATOM 191 CD1 LEU B 55 -3.881 5.891 23.748 1.00 0.00 C ATOM 192 CD2 LEU B 55 -4.375 8.236 24.433 1.00 0.00 C ATOM 0 H LEU B 55 -7.510 6.847 20.952 1.00 0.00 H new ATOM 0 HA LEU B 55 -7.573 7.010 23.823 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -5.750 6.156 22.096 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -5.282 7.844 22.041 1.00 0.00 H new ATOM 0 HG LEU B 55 -5.683 6.578 24.738 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -3.320 5.759 24.673 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -4.320 4.938 23.451 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -3.211 6.242 22.963 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -3.831 8.075 25.363 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -3.689 8.607 23.671 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -5.165 8.969 24.597 1.00 0.00 H new ATOM 204 N ARG B 56 -7.134 9.781 22.057 1.00 0.00 N ATOM 205 CA ARG B 56 -7.201 11.230 22.127 1.00 0.00 C ATOM 206 C ARG B 56 -7.588 11.817 20.767 1.00 0.00 C ATOM 207 O ARG B 56 -6.713 12.201 19.991 1.00 0.00 O ATOM 208 CB ARG B 56 -5.848 11.772 22.609 1.00 0.00 C ATOM 209 CG ARG B 56 -5.858 13.295 22.803 1.00 0.00 C ATOM 210 CD ARG B 56 -6.927 13.742 23.802 1.00 0.00 C ATOM 211 NE ARG B 56 -6.743 13.105 25.111 1.00 0.00 N ATOM 212 CZ ARG B 56 -7.625 13.177 26.112 1.00 0.00 C ATOM 213 NH1 ARG B 56 -8.757 13.864 25.973 1.00 0.00 N ATOM 214 NH2 ARG B 56 -7.377 12.558 27.264 1.00 0.00 N ATOM 0 H ARG B 56 -6.923 9.418 21.128 1.00 0.00 H new ATOM 0 HA ARG B 56 -7.971 11.528 22.838 1.00 0.00 H new ATOM 0 HB2 ARG B 56 -5.583 11.291 23.551 1.00 0.00 H new ATOM 0 HB3 ARG B 56 -5.076 11.506 21.887 1.00 0.00 H new ATOM 0 HG2 ARG B 56 -4.878 13.622 23.151 1.00 0.00 H new ATOM 0 HG3 ARG B 56 -6.034 13.781 21.843 1.00 0.00 H new ATOM 0 HD2 ARG B 56 -6.889 14.825 23.915 1.00 0.00 H new ATOM 0 HD3 ARG B 56 -7.915 13.496 23.413 1.00 0.00 H new ATOM 0 HE ARG B 56 -5.887 12.573 25.267 1.00 0.00 H new ATOM 0 HH11 ARG B 56 -8.959 14.343 25.095 1.00 0.00 H new ATOM 0 HH12 ARG B 56 -9.423 13.912 26.744 1.00 0.00 H new ATOM 0 HH21 ARG B 56 -6.513 12.028 27.383 1.00 0.00 H new ATOM 0 HH22 ARG B 56 -8.051 12.613 28.028 1.00 0.00 H new ATOM 228 N PRO B 57 -8.891 11.893 20.463 1.00 0.00 N ATOM 229 CA PRO B 57 -9.391 12.550 19.266 1.00 0.00 C ATOM 230 C PRO B 57 -9.229 14.064 19.407 1.00 0.00 C ATOM 231 O PRO B 57 -8.774 14.545 20.444 1.00 0.00 O ATOM 232 CB PRO B 57 -10.861 12.140 19.174 1.00 0.00 C ATOM 233 CG PRO B 57 -11.254 11.928 20.635 1.00 0.00 C ATOM 234 CD PRO B 57 -9.981 11.354 21.256 1.00 0.00 C ATOM 0 HA PRO B 57 -8.851 12.265 18.363 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.466 12.914 18.702 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.990 11.231 18.586 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -11.550 12.862 21.113 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -12.095 11.241 20.731 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.888 11.645 22.302 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.986 10.264 21.228 1.00 0.00 H new ATOM 242 N GLY B 58 -9.600 14.822 18.370 1.00 0.00 N ATOM 243 CA GLY B 58 -9.464 16.273 18.396 1.00 0.00 C ATOM 244 C GLY B 58 -8.432 16.766 17.387 1.00 0.00 C ATOM 245 O GLY B 58 -7.726 17.738 17.653 1.00 0.00 O ATOM 0 H GLY B 58 -9.995 14.451 17.506 1.00 0.00 H new ATOM 0 HA2 GLY B 58 -10.429 16.732 18.182 1.00 0.00 H new ATOM 0 HA3 GLY B 58 -9.174 16.593 19.397 1.00 0.00 H new ATOM 249 N LEU B 59 -8.341 16.102 16.233 1.00 0.00 N ATOM 250 CA LEU B 59 -7.339 16.373 15.222 1.00 0.00 C ATOM 251 C LEU B 59 -7.997 16.661 13.880 1.00 0.00 C ATOM 252 O LEU B 59 -9.221 16.675 13.760 1.00 0.00 O ATOM 253 CB LEU B 59 -6.393 15.176 15.112 1.00 0.00 C ATOM 254 CG LEU B 59 -7.088 13.819 15.223 1.00 0.00 C ATOM 255 CD1 LEU B 59 -8.180 13.641 14.171 1.00 0.00 C ATOM 256 CD2 LEU B 59 -6.013 12.763 15.004 1.00 0.00 C ATOM 0 H LEU B 59 -8.978 15.348 15.978 1.00 0.00 H new ATOM 0 HA LEU B 59 -6.768 17.255 15.511 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -5.869 15.227 14.157 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -5.638 15.250 15.894 1.00 0.00 H new ATOM 0 HG LEU B 59 -7.568 13.735 16.198 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -8.644 12.662 14.291 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -8.934 14.418 14.295 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -7.742 13.716 13.176 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -6.458 11.771 15.073 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -5.570 12.894 14.017 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -5.240 12.868 15.765 1.00 0.00 H new ATOM 268 N LYS B 60 -7.157 16.890 12.872 1.00 0.00 N ATOM 269 CA LYS B 60 -7.598 17.084 11.504 1.00 0.00 C ATOM 270 C LYS B 60 -6.658 16.306 10.592 1.00 0.00 C ATOM 271 O LYS B 60 -5.527 16.026 10.979 1.00 0.00 O ATOM 272 CB LYS B 60 -7.572 18.566 11.116 1.00 0.00 C ATOM 273 CG LYS B 60 -8.561 19.466 11.870 1.00 0.00 C ATOM 274 CD LYS B 60 -8.109 19.904 13.269 1.00 0.00 C ATOM 275 CE LYS B 60 -6.719 20.540 13.248 1.00 0.00 C ATOM 276 NZ LYS B 60 -6.372 21.104 14.566 1.00 0.00 N ATOM 0 H LYS B 60 -6.145 16.945 12.989 1.00 0.00 H new ATOM 0 HA LYS B 60 -8.624 16.731 11.404 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.564 18.948 11.278 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -7.776 18.647 10.048 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -8.747 20.357 11.270 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -9.511 18.939 11.961 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -8.827 20.616 13.676 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -8.103 19.041 13.935 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -5.978 19.793 12.962 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -6.687 21.326 12.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -5.424 21.529 14.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -7.067 21.833 14.825 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -6.380 20.348 15.280 1.00 0.00 H new ATOM 290 N TYR B 61 -7.113 15.957 9.389 1.00 0.00 N ATOM 291 CA TYR B 61 -6.299 15.252 8.410 1.00 0.00 C ATOM 292 C TYR B 61 -6.392 15.967 7.070 1.00 0.00 C ATOM 293 O TYR B 61 -7.378 16.645 6.783 1.00 0.00 O ATOM 294 CB TYR B 61 -6.777 13.808 8.259 1.00 0.00 C ATOM 295 CG TYR B 61 -6.302 12.858 9.337 1.00 0.00 C ATOM 296 CD1 TYR B 61 -6.909 12.862 10.602 1.00 0.00 C ATOM 297 CD2 TYR B 61 -5.248 11.970 9.067 1.00 0.00 C ATOM 298 CE1 TYR B 61 -6.466 11.976 11.595 1.00 0.00 C ATOM 299 CE2 TYR B 61 -4.819 11.063 10.047 1.00 0.00 C ATOM 300 CZ TYR B 61 -5.430 11.061 11.317 1.00 0.00 C ATOM 301 OH TYR B 61 -5.020 10.180 12.271 1.00 0.00 O ATOM 0 H TYR B 61 -8.060 16.158 9.069 1.00 0.00 H new ATOM 0 HA TYR B 61 -5.264 15.241 8.750 1.00 0.00 H new ATOM 0 HB2 TYR B 61 -7.867 13.802 8.246 1.00 0.00 H new ATOM 0 HB3 TYR B 61 -6.444 13.431 7.292 1.00 0.00 H new ATOM 0 HD1 TYR B 61 -7.717 13.547 10.811 1.00 0.00 H new ATOM 0 HD2 TYR B 61 -4.766 11.986 8.101 1.00 0.00 H new ATOM 0 HE1 TYR B 61 -6.920 11.995 12.575 1.00 0.00 H new ATOM 0 HE2 TYR B 61 -4.022 10.368 9.829 1.00 0.00 H new ATOM 0 HH TYR B 61 -5.772 9.962 12.860 1.00 0.00 H new ATOM 311 N ASP B 62 -5.354 15.807 6.249 1.00 0.00 N ATOM 312 CA ASP B 62 -5.328 16.372 4.912 1.00 0.00 C ATOM 313 C ASP B 62 -4.727 15.374 3.930 1.00 0.00 C ATOM 314 O ASP B 62 -3.535 15.087 3.984 1.00 0.00 O ATOM 315 CB ASP B 62 -4.553 17.691 4.898 1.00 0.00 C ATOM 316 CG ASP B 62 -5.296 18.791 5.654 1.00 0.00 C ATOM 317 OD1 ASP B 62 -6.220 19.379 5.050 1.00 0.00 O ATOM 318 OD2 ASP B 62 -4.935 19.034 6.828 1.00 0.00 O ATOM 0 H ASP B 62 -4.514 15.284 6.496 1.00 0.00 H new ATOM 0 HA ASP B 62 -6.352 16.583 4.602 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -3.571 17.541 5.346 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -4.388 18.005 3.867 1.00 0.00 H new ATOM 323 N PHE B 63 -5.555 14.841 3.029 1.00 0.00 N ATOM 324 CA PHE B 63 -5.097 13.937 1.984 1.00 0.00 C ATOM 325 C PHE B 63 -4.299 14.712 0.938 1.00 0.00 C ATOM 326 O PHE B 63 -4.598 15.874 0.662 1.00 0.00 O ATOM 327 CB PHE B 63 -6.324 13.283 1.352 1.00 0.00 C ATOM 328 CG PHE B 63 -6.051 12.533 0.069 1.00 0.00 C ATOM 329 CD1 PHE B 63 -5.626 11.197 0.107 1.00 0.00 C ATOM 330 CD2 PHE B 63 -6.226 13.176 -1.165 1.00 0.00 C ATOM 331 CE1 PHE B 63 -5.383 10.507 -1.088 1.00 0.00 C ATOM 332 CE2 PHE B 63 -5.982 12.486 -2.360 1.00 0.00 C ATOM 333 CZ PHE B 63 -5.562 11.150 -2.321 1.00 0.00 C ATOM 0 H PHE B 63 -6.558 15.026 3.007 1.00 0.00 H new ATOM 0 HA PHE B 63 -4.445 13.170 2.401 1.00 0.00 H new ATOM 0 HB2 PHE B 63 -6.763 12.594 2.073 1.00 0.00 H new ATOM 0 HB3 PHE B 63 -7.068 14.054 1.154 1.00 0.00 H new ATOM 0 HD1 PHE B 63 -5.486 10.701 1.056 1.00 0.00 H new ATOM 0 HD2 PHE B 63 -6.550 14.206 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE B 63 -5.057 9.478 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE B 63 -6.117 12.983 -3.309 1.00 0.00 H new ATOM 0 HZ PHE B 63 -5.376 10.615 -3.241 1.00 0.00 H new ATOM 343 N LEU B 64 -3.284 14.063 0.358 1.00 0.00 N ATOM 344 CA LEU B 64 -2.441 14.644 -0.675 1.00 0.00 C ATOM 345 C LEU B 64 -2.389 13.713 -1.891 1.00 0.00 C ATOM 346 O LEU B 64 -2.650 12.511 -1.793 1.00 0.00 O ATOM 347 CB LEU B 64 -1.025 14.905 -0.143 1.00 0.00 C ATOM 348 CG LEU B 64 -0.832 16.162 0.718 1.00 0.00 C ATOM 349 CD1 LEU B 64 -1.492 17.400 0.112 1.00 0.00 C ATOM 350 CD2 LEU B 64 -1.371 15.974 2.130 1.00 0.00 C ATOM 0 H LEU B 64 -3.027 13.106 0.601 1.00 0.00 H new ATOM 0 HA LEU B 64 -2.871 15.599 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -0.717 14.040 0.444 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -0.348 14.969 -0.995 1.00 0.00 H new ATOM 0 HG LEU B 64 0.246 16.318 0.754 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.323 18.258 0.763 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.061 17.599 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -2.563 17.228 0.009 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -1.214 16.887 2.704 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -2.437 15.752 2.086 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -0.848 15.148 2.612 1.00 0.00 H new ATOM 362 N SER B 65 -2.045 14.311 -3.038 1.00 0.00 N ATOM 363 CA SER B 65 -2.132 13.735 -4.374 1.00 0.00 C ATOM 364 C SER B 65 -1.436 12.386 -4.552 1.00 0.00 C ATOM 365 O SER B 65 -0.750 11.886 -3.662 1.00 0.00 O ATOM 366 CB SER B 65 -1.578 14.743 -5.381 1.00 0.00 C ATOM 367 OG SER B 65 -2.261 15.974 -5.253 1.00 0.00 O ATOM 0 H SER B 65 -1.679 15.263 -3.053 1.00 0.00 H new ATOM 0 HA SER B 65 -3.189 13.528 -4.544 1.00 0.00 H new ATOM 0 HB2 SER B 65 -0.511 14.890 -5.213 1.00 0.00 H new ATOM 0 HB3 SER B 65 -1.691 14.358 -6.394 1.00 0.00 H new ATOM 0 HG SER B 65 -1.901 16.617 -5.899 1.00 0.00 H new ATOM 373 N GLU B 66 -1.627 11.799 -5.737 1.00 0.00 N ATOM 374 CA GLU B 66 -1.140 10.471 -6.079 1.00 0.00 C ATOM 375 C GLU B 66 -0.133 10.503 -7.229 1.00 0.00 C ATOM 376 O GLU B 66 0.058 11.532 -7.876 1.00 0.00 O ATOM 377 CB GLU B 66 -2.333 9.565 -6.411 1.00 0.00 C ATOM 378 CG GLU B 66 -3.421 10.232 -7.259 1.00 0.00 C ATOM 379 CD GLU B 66 -2.889 10.841 -8.555 1.00 0.00 C ATOM 380 OE1 GLU B 66 -2.480 10.056 -9.439 1.00 0.00 O ATOM 381 OE2 GLU B 66 -2.897 12.089 -8.649 1.00 0.00 O ATOM 0 H GLU B 66 -2.136 12.249 -6.498 1.00 0.00 H new ATOM 0 HA GLU B 66 -0.607 10.068 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU B 66 -1.968 8.684 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU B 66 -2.779 9.217 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU B 66 -4.187 9.495 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU B 66 -3.903 11.012 -6.670 1.00 0.00 H new ATOM 388 N SER B 67 0.508 9.354 -7.471 1.00 0.00 N ATOM 389 CA SER B 67 1.491 9.175 -8.531 1.00 0.00 C ATOM 390 C SER B 67 1.496 7.723 -9.010 1.00 0.00 C ATOM 391 O SER B 67 0.844 6.865 -8.417 1.00 0.00 O ATOM 392 CB SER B 67 2.885 9.534 -8.011 1.00 0.00 C ATOM 393 OG SER B 67 2.949 10.893 -7.630 1.00 0.00 O ATOM 0 H SER B 67 0.351 8.509 -6.921 1.00 0.00 H new ATOM 0 HA SER B 67 1.227 9.828 -9.363 1.00 0.00 H new ATOM 0 HB2 SER B 67 3.133 8.902 -7.159 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.628 9.334 -8.783 1.00 0.00 H new ATOM 0 HG SER B 67 3.849 11.098 -7.300 1.00 0.00 H new ATOM 399 N GLY B 68 2.238 7.455 -10.090 1.00 0.00 N ATOM 400 CA GLY B 68 2.422 6.117 -10.637 1.00 0.00 C ATOM 401 C GLY B 68 1.239 5.649 -11.481 1.00 0.00 C ATOM 402 O GLY B 68 0.213 6.322 -11.571 1.00 0.00 O ATOM 0 H GLY B 68 2.733 8.177 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY B 68 3.325 6.101 -11.247 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.578 5.414 -9.818 1.00 0.00 H new ATOM 406 N GLU B 69 1.403 4.478 -12.101 1.00 0.00 N ATOM 407 CA GLU B 69 0.369 3.842 -12.904 1.00 0.00 C ATOM 408 C GLU B 69 -0.610 3.085 -12.005 1.00 0.00 C ATOM 409 O GLU B 69 -0.393 2.979 -10.801 1.00 0.00 O ATOM 410 CB GLU B 69 1.021 2.881 -13.899 1.00 0.00 C ATOM 411 CG GLU B 69 1.948 3.618 -14.868 1.00 0.00 C ATOM 412 CD GLU B 69 1.191 4.665 -15.685 1.00 0.00 C ATOM 413 OE1 GLU B 69 0.296 4.256 -16.457 1.00 0.00 O ATOM 414 OE2 GLU B 69 1.511 5.865 -15.532 1.00 0.00 O ATOM 0 H GLU B 69 2.270 3.943 -12.056 1.00 0.00 H new ATOM 0 HA GLU B 69 -0.185 4.607 -13.449 1.00 0.00 H new ATOM 0 HB2 GLU B 69 1.588 2.124 -13.357 1.00 0.00 H new ATOM 0 HB3 GLU B 69 0.247 2.358 -14.461 1.00 0.00 H new ATOM 0 HG2 GLU B 69 2.749 4.101 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU B 69 2.417 2.900 -15.541 1.00 0.00 H new ATOM 421 N SER B 70 -1.692 2.554 -12.580 1.00 0.00 N ATOM 422 CA SER B 70 -2.729 1.867 -11.819 1.00 0.00 C ATOM 423 C SER B 70 -2.241 0.577 -11.157 1.00 0.00 C ATOM 424 O SER B 70 -2.925 0.050 -10.282 1.00 0.00 O ATOM 425 CB SER B 70 -3.901 1.540 -12.743 1.00 0.00 C ATOM 426 OG SER B 70 -4.399 2.725 -13.329 1.00 0.00 O ATOM 0 H SER B 70 -1.870 2.590 -13.584 1.00 0.00 H new ATOM 0 HA SER B 70 -3.032 2.543 -11.019 1.00 0.00 H new ATOM 0 HB2 SER B 70 -3.579 0.847 -13.521 1.00 0.00 H new ATOM 0 HB3 SER B 70 -4.691 1.043 -12.180 1.00 0.00 H new ATOM 0 HG SER B 70 -5.149 2.507 -13.921 1.00 0.00 H new ATOM 432 N HIS B 71 -1.073 0.063 -11.558 1.00 0.00 N ATOM 433 CA HIS B 71 -0.534 -1.189 -11.035 1.00 0.00 C ATOM 434 C HIS B 71 0.636 -0.948 -10.079 1.00 0.00 C ATOM 435 O HIS B 71 1.204 -1.897 -9.541 1.00 0.00 O ATOM 436 CB HIS B 71 -0.106 -2.072 -12.207 1.00 0.00 C ATOM 437 CG HIS B 71 0.910 -1.407 -13.097 1.00 0.00 C ATOM 438 ND1 HIS B 71 0.629 -0.564 -14.148 1.00 0.00 N ATOM 439 CD2 HIS B 71 2.271 -1.529 -13.008 1.00 0.00 C ATOM 440 CE1 HIS B 71 1.805 -0.175 -14.674 1.00 0.00 C ATOM 441 NE2 HIS B 71 2.833 -0.739 -14.017 1.00 0.00 N ATOM 0 H HIS B 71 -0.477 0.507 -12.256 1.00 0.00 H new ATOM 0 HA HIS B 71 -1.311 -1.692 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS B 71 0.309 -3.003 -11.822 1.00 0.00 H new ATOM 0 HB3 HIS B 71 -0.984 -2.335 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS B 71 2.812 -2.127 -12.289 1.00 0.00 H new ATOM 0 HE1 HIS B 71 1.909 0.499 -15.511 1.00 0.00 H new ATOM 0 HE2 HIS B 71 3.826 -0.616 -14.215 1.00 0.00 H new ATOM 449 N ALA B 72 0.994 0.321 -9.867 1.00 0.00 N ATOM 450 CA ALA B 72 2.079 0.731 -8.987 1.00 0.00 C ATOM 451 C ALA B 72 1.685 2.011 -8.248 1.00 0.00 C ATOM 452 O ALA B 72 2.543 2.726 -7.729 1.00 0.00 O ATOM 453 CB ALA B 72 3.342 0.940 -9.822 1.00 0.00 C ATOM 0 H ALA B 72 0.523 1.107 -10.316 1.00 0.00 H new ATOM 0 HA ALA B 72 2.276 -0.041 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA B 72 4.161 1.247 -9.172 1.00 0.00 H new ATOM 0 HB2 ALA B 72 3.606 0.008 -10.322 1.00 0.00 H new ATOM 0 HB3 ALA B 72 3.161 1.714 -10.568 1.00 0.00 H new ATOM 459 N LYS B 73 0.378 2.290 -8.210 1.00 0.00 N ATOM 460 CA LYS B 73 -0.183 3.533 -7.707 1.00 0.00 C ATOM 461 C LYS B 73 0.242 3.818 -6.270 1.00 0.00 C ATOM 462 O LYS B 73 0.523 2.900 -5.500 1.00 0.00 O ATOM 463 CB LYS B 73 -1.711 3.457 -7.817 1.00 0.00 C ATOM 464 CG LYS B 73 -2.350 4.845 -7.893 1.00 0.00 C ATOM 465 CD LYS B 73 -2.093 5.476 -9.262 1.00 0.00 C ATOM 466 CE LYS B 73 -2.535 6.936 -9.255 1.00 0.00 C ATOM 467 NZ LYS B 73 -2.262 7.571 -10.558 1.00 0.00 N ATOM 0 H LYS B 73 -0.332 1.635 -8.539 1.00 0.00 H new ATOM 0 HA LYS B 73 0.198 4.358 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -1.983 2.884 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -2.110 2.921 -6.956 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -3.423 4.769 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -1.943 5.483 -7.109 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -1.033 5.409 -9.509 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -2.635 4.927 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -3.600 6.997 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -2.012 7.475 -8.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -2.109 8.591 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -1.411 7.147 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -3.073 7.424 -11.193 1.00 0.00 H new ATOM 481 N SER B 74 0.283 5.104 -5.922 1.00 0.00 N ATOM 482 CA SER B 74 0.584 5.557 -4.575 1.00 0.00 C ATOM 483 C SER B 74 -0.231 6.805 -4.262 1.00 0.00 C ATOM 484 O SER B 74 -0.681 7.504 -5.168 1.00 0.00 O ATOM 485 CB SER B 74 2.079 5.848 -4.440 1.00 0.00 C ATOM 486 OG SER B 74 2.481 6.806 -5.396 1.00 0.00 O ATOM 0 H SER B 74 0.105 5.864 -6.578 1.00 0.00 H new ATOM 0 HA SER B 74 0.320 4.774 -3.864 1.00 0.00 H new ATOM 0 HB2 SER B 74 2.296 6.213 -3.436 1.00 0.00 H new ATOM 0 HB3 SER B 74 2.649 4.929 -4.575 1.00 0.00 H new ATOM 0 HG SER B 74 3.440 6.984 -5.297 1.00 0.00 H new ATOM 492 N PHE B 75 -0.414 7.077 -2.970 1.00 0.00 N ATOM 493 CA PHE B 75 -1.184 8.198 -2.460 1.00 0.00 C ATOM 494 C PHE B 75 -0.505 8.712 -1.202 1.00 0.00 C ATOM 495 O PHE B 75 0.417 8.067 -0.701 1.00 0.00 O ATOM 496 CB PHE B 75 -2.604 7.732 -2.129 1.00 0.00 C ATOM 497 CG PHE B 75 -3.312 7.043 -3.274 1.00 0.00 C ATOM 498 CD1 PHE B 75 -3.037 5.698 -3.555 1.00 0.00 C ATOM 499 CD2 PHE B 75 -4.239 7.745 -4.057 1.00 0.00 C ATOM 500 CE1 PHE B 75 -3.669 5.060 -4.628 1.00 0.00 C ATOM 501 CE2 PHE B 75 -4.875 7.107 -5.130 1.00 0.00 C ATOM 502 CZ PHE B 75 -4.586 5.767 -5.418 1.00 0.00 C ATOM 0 H PHE B 75 -0.015 6.500 -2.230 1.00 0.00 H new ATOM 0 HA PHE B 75 -1.237 8.991 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -2.562 7.050 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -3.194 8.594 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -2.335 5.152 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE B 75 -4.463 8.778 -3.833 1.00 0.00 H new ATOM 0 HE1 PHE B 75 -3.451 4.025 -4.847 1.00 0.00 H new ATOM 0 HE2 PHE B 75 -5.588 7.648 -5.735 1.00 0.00 H new ATOM 0 HZ PHE B 75 -5.070 5.278 -6.250 1.00 0.00 H new ATOM 512 N VAL B 76 -0.938 9.859 -0.677 1.00 0.00 N ATOM 513 CA VAL B 76 -0.407 10.285 0.607 1.00 0.00 C ATOM 514 C VAL B 76 -1.485 10.977 1.425 1.00 0.00 C ATOM 515 O VAL B 76 -2.469 11.483 0.895 1.00 0.00 O ATOM 516 CB VAL B 76 0.897 11.083 0.425 1.00 0.00 C ATOM 517 CG1 VAL B 76 0.895 11.929 -0.844 1.00 0.00 C ATOM 518 CG2 VAL B 76 1.239 11.962 1.629 1.00 0.00 C ATOM 0 H VAL B 76 -1.625 10.482 -1.102 1.00 0.00 H new ATOM 0 HA VAL B 76 -0.117 9.417 1.198 1.00 0.00 H new ATOM 0 HB VAL B 76 1.673 10.323 0.334 1.00 0.00 H new ATOM 0 HG11 VAL B 76 1.838 12.470 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL B 76 0.775 11.282 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL B 76 0.070 12.641 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL B 76 2.169 12.497 1.436 1.00 0.00 H new ATOM 0 HG22 VAL B 76 0.435 12.679 1.796 1.00 0.00 H new ATOM 0 HG23 VAL B 76 1.357 11.337 2.514 1.00 0.00 H new ATOM 528 N MET B 77 -1.277 10.988 2.740 1.00 0.00 N ATOM 529 CA MET B 77 -2.217 11.499 3.712 1.00 0.00 C ATOM 530 C MET B 77 -1.412 12.162 4.820 1.00 0.00 C ATOM 531 O MET B 77 -0.435 11.593 5.303 1.00 0.00 O ATOM 532 CB MET B 77 -3.026 10.302 4.217 1.00 0.00 C ATOM 533 CG MET B 77 -4.096 10.669 5.231 1.00 0.00 C ATOM 534 SD MET B 77 -5.206 11.989 4.689 1.00 0.00 S ATOM 535 CE MET B 77 -6.677 11.506 5.617 1.00 0.00 C ATOM 0 H MET B 77 -0.421 10.629 3.162 1.00 0.00 H new ATOM 0 HA MET B 77 -2.905 12.239 3.304 1.00 0.00 H new ATOM 0 HB2 MET B 77 -3.498 9.810 3.367 1.00 0.00 H new ATOM 0 HB3 MET B 77 -2.345 9.579 4.666 1.00 0.00 H new ATOM 0 HG2 MET B 77 -4.687 9.781 5.456 1.00 0.00 H new ATOM 0 HG3 MET B 77 -3.612 10.974 6.159 1.00 0.00 H new ATOM 0 HE1 MET B 77 -7.380 12.339 5.645 1.00 0.00 H new ATOM 0 HE2 MET B 77 -7.148 10.650 5.133 1.00 0.00 H new ATOM 0 HE3 MET B 77 -6.393 11.237 6.634 1.00 0.00 H new ATOM 545 N SER B 78 -1.819 13.364 5.224 1.00 0.00 N ATOM 546 CA SER B 78 -1.155 14.096 6.289 1.00 0.00 C ATOM 547 C SER B 78 -2.139 14.383 7.417 1.00 0.00 C ATOM 548 O SER B 78 -3.333 14.117 7.284 1.00 0.00 O ATOM 549 CB SER B 78 -0.527 15.374 5.728 1.00 0.00 C ATOM 550 OG SER B 78 -1.524 16.282 5.321 1.00 0.00 O ATOM 0 H SER B 78 -2.618 13.853 4.820 1.00 0.00 H new ATOM 0 HA SER B 78 -0.350 13.492 6.707 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.106 15.837 6.485 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.115 15.128 4.882 1.00 0.00 H new ATOM 0 HG SER B 78 -2.153 15.830 4.720 1.00 0.00 H new ATOM 556 N VAL B 79 -1.645 14.927 8.531 1.00 0.00 N ATOM 557 CA VAL B 79 -2.481 15.178 9.695 1.00 0.00 C ATOM 558 C VAL B 79 -2.010 16.425 10.431 1.00 0.00 C ATOM 559 O VAL B 79 -0.909 16.919 10.194 1.00 0.00 O ATOM 560 CB VAL B 79 -2.410 13.997 10.672 1.00 0.00 C ATOM 561 CG1 VAL B 79 -3.683 13.854 11.502 1.00 0.00 C ATOM 562 CG2 VAL B 79 -2.036 12.662 10.032 1.00 0.00 C ATOM 0 H VAL B 79 -0.669 15.200 8.647 1.00 0.00 H new ATOM 0 HA VAL B 79 -3.504 15.314 9.343 1.00 0.00 H new ATOM 0 HB VAL B 79 -1.585 14.254 11.337 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.583 13.005 12.178 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -3.843 14.763 12.082 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.533 13.693 10.839 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -2.010 11.886 10.797 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -2.776 12.401 9.276 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -1.054 12.744 9.566 1.00 0.00 H new ATOM 572 N VAL B 80 -2.860 16.927 11.329 1.00 0.00 N ATOM 573 CA VAL B 80 -2.529 17.990 12.262 1.00 0.00 C ATOM 574 C VAL B 80 -3.109 17.601 13.615 1.00 0.00 C ATOM 575 O VAL B 80 -4.327 17.593 13.794 1.00 0.00 O ATOM 576 CB VAL B 80 -3.073 19.340 11.791 1.00 0.00 C ATOM 577 CG1 VAL B 80 -2.767 20.412 12.837 1.00 0.00 C ATOM 578 CG2 VAL B 80 -2.420 19.758 10.474 1.00 0.00 C ATOM 0 H VAL B 80 -3.819 16.593 11.425 1.00 0.00 H new ATOM 0 HA VAL B 80 -1.448 18.108 12.331 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.149 19.239 11.648 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.156 21.372 12.498 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -3.238 20.143 13.782 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -1.689 20.486 12.977 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.822 20.721 10.158 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -1.342 19.843 10.613 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -2.629 19.009 9.710 1.00 0.00 H new ATOM 588 N VAL B 81 -2.228 17.280 14.563 1.00 0.00 N ATOM 589 CA VAL B 81 -2.625 16.787 15.875 1.00 0.00 C ATOM 590 C VAL B 81 -1.912 17.582 16.961 1.00 0.00 C ATOM 591 O VAL B 81 -0.691 17.716 16.919 1.00 0.00 O ATOM 592 CB VAL B 81 -2.274 15.299 15.999 1.00 0.00 C ATOM 593 CG1 VAL B 81 -2.870 14.726 17.284 1.00 0.00 C ATOM 594 CG2 VAL B 81 -2.813 14.506 14.809 1.00 0.00 C ATOM 0 H VAL B 81 -1.218 17.356 14.439 1.00 0.00 H new ATOM 0 HA VAL B 81 -3.702 16.909 15.994 1.00 0.00 H new ATOM 0 HB VAL B 81 -1.188 15.214 16.020 1.00 0.00 H new ATOM 0 HG11 VAL B 81 -2.616 13.669 17.363 1.00 0.00 H new ATOM 0 HG12 VAL B 81 -2.466 15.262 18.143 1.00 0.00 H new ATOM 0 HG13 VAL B 81 -3.954 14.838 17.264 1.00 0.00 H new ATOM 0 HG21 VAL B 81 -2.550 13.454 14.923 1.00 0.00 H new ATOM 0 HG22 VAL B 81 -3.898 14.606 14.766 1.00 0.00 H new ATOM 0 HG23 VAL B 81 -2.377 14.891 13.887 1.00 0.00 H new ATOM 604 N ASP B 82 -2.667 18.107 17.931 1.00 0.00 N ATOM 605 CA ASP B 82 -2.137 18.912 19.030 1.00 0.00 C ATOM 606 C ASP B 82 -1.368 20.149 18.543 1.00 0.00 C ATOM 607 O ASP B 82 -0.715 20.830 19.333 1.00 0.00 O ATOM 608 CB ASP B 82 -1.299 18.018 19.948 1.00 0.00 C ATOM 609 CG ASP B 82 -0.900 18.727 21.242 1.00 0.00 C ATOM 610 OD1 ASP B 82 -1.816 19.211 21.941 1.00 0.00 O ATOM 611 OD2 ASP B 82 0.320 18.777 21.520 1.00 0.00 O ATOM 0 H ASP B 82 -3.678 17.981 17.973 1.00 0.00 H new ATOM 0 HA ASP B 82 -2.973 19.314 19.603 1.00 0.00 H new ATOM 0 HB2 ASP B 82 -1.864 17.118 20.189 1.00 0.00 H new ATOM 0 HB3 ASP B 82 -0.401 17.699 19.419 1.00 0.00 H new ATOM 616 N GLY B 83 -1.441 20.445 17.242 1.00 0.00 N ATOM 617 CA GLY B 83 -0.758 21.571 16.620 1.00 0.00 C ATOM 618 C GLY B 83 0.446 21.117 15.802 1.00 0.00 C ATOM 619 O GLY B 83 0.994 21.899 15.027 1.00 0.00 O ATOM 0 H GLY B 83 -1.990 19.894 16.582 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.454 22.108 15.976 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.432 22.270 17.390 1.00 0.00 H new ATOM 623 N GLN B 84 0.858 19.858 15.969 1.00 0.00 N ATOM 624 CA GLN B 84 1.946 19.276 15.207 1.00 0.00 C ATOM 625 C GLN B 84 1.438 18.874 13.824 1.00 0.00 C ATOM 626 O GLN B 84 0.242 18.962 13.552 1.00 0.00 O ATOM 627 CB GLN B 84 2.485 18.053 15.953 1.00 0.00 C ATOM 628 CG GLN B 84 3.061 18.469 17.304 1.00 0.00 C ATOM 629 CD GLN B 84 3.665 17.289 18.054 1.00 0.00 C ATOM 630 OE1 GLN B 84 4.488 16.556 17.515 1.00 0.00 O ATOM 631 NE2 GLN B 84 3.261 17.095 19.307 1.00 0.00 N ATOM 0 H GLN B 84 0.439 19.217 16.642 1.00 0.00 H new ATOM 0 HA GLN B 84 2.750 20.003 15.089 1.00 0.00 H new ATOM 0 HB2 GLN B 84 1.686 17.326 16.099 1.00 0.00 H new ATOM 0 HB3 GLN B 84 3.255 17.565 15.356 1.00 0.00 H new ATOM 0 HG2 GLN B 84 3.825 19.232 17.153 1.00 0.00 H new ATOM 0 HG3 GLN B 84 2.275 18.920 17.910 1.00 0.00 H new ATOM 0 HE21 GLN B 84 2.575 17.724 19.725 1.00 0.00 H new ATOM 0 HE22 GLN B 84 3.637 16.318 19.850 1.00 0.00 H new ATOM 640 N PHE B 85 2.341 18.429 12.946 1.00 0.00 N ATOM 641 CA PHE B 85 1.981 17.987 11.609 1.00 0.00 C ATOM 642 C PHE B 85 2.685 16.672 11.298 1.00 0.00 C ATOM 643 O PHE B 85 3.812 16.447 11.740 1.00 0.00 O ATOM 644 CB PHE B 85 2.364 19.067 10.597 1.00 0.00 C ATOM 645 CG PHE B 85 2.217 18.630 9.155 1.00 0.00 C ATOM 646 CD1 PHE B 85 0.980 18.740 8.504 1.00 0.00 C ATOM 647 CD2 PHE B 85 3.324 18.113 8.466 1.00 0.00 C ATOM 648 CE1 PHE B 85 0.851 18.331 7.169 1.00 0.00 C ATOM 649 CE2 PHE B 85 3.195 17.708 7.130 1.00 0.00 C ATOM 650 CZ PHE B 85 1.958 17.818 6.481 1.00 0.00 C ATOM 0 H PHE B 85 3.339 18.368 13.148 1.00 0.00 H new ATOM 0 HA PHE B 85 0.905 17.822 11.549 1.00 0.00 H new ATOM 0 HB2 PHE B 85 1.743 19.947 10.766 1.00 0.00 H new ATOM 0 HB3 PHE B 85 3.397 19.367 10.773 1.00 0.00 H new ATOM 0 HD1 PHE B 85 0.126 19.140 9.031 1.00 0.00 H new ATOM 0 HD2 PHE B 85 4.278 18.027 8.966 1.00 0.00 H new ATOM 0 HE1 PHE B 85 -0.104 18.412 6.670 1.00 0.00 H new ATOM 0 HE2 PHE B 85 4.049 17.311 6.601 1.00 0.00 H new ATOM 0 HZ PHE B 85 1.858 17.508 5.451 1.00 0.00 H new ATOM 660 N PHE B 86 2.014 15.805 10.534 1.00 0.00 N ATOM 661 CA PHE B 86 2.543 14.498 10.175 1.00 0.00 C ATOM 662 C PHE B 86 2.170 14.140 8.741 1.00 0.00 C ATOM 663 O PHE B 86 1.285 14.758 8.155 1.00 0.00 O ATOM 664 CB PHE B 86 1.987 13.459 11.150 1.00 0.00 C ATOM 665 CG PHE B 86 2.354 13.751 12.587 1.00 0.00 C ATOM 666 CD1 PHE B 86 1.537 14.575 13.375 1.00 0.00 C ATOM 667 CD2 PHE B 86 3.521 13.199 13.129 1.00 0.00 C ATOM 668 CE1 PHE B 86 1.895 14.861 14.699 1.00 0.00 C ATOM 669 CE2 PHE B 86 3.873 13.475 14.456 1.00 0.00 C ATOM 670 CZ PHE B 86 3.062 14.303 15.244 1.00 0.00 C ATOM 0 H PHE B 86 1.089 15.995 10.150 1.00 0.00 H new ATOM 0 HA PHE B 86 3.631 14.516 10.238 1.00 0.00 H new ATOM 0 HB2 PHE B 86 0.902 13.424 11.057 1.00 0.00 H new ATOM 0 HB3 PHE B 86 2.363 12.473 10.877 1.00 0.00 H new ATOM 0 HD1 PHE B 86 0.630 14.990 12.960 1.00 0.00 H new ATOM 0 HD2 PHE B 86 4.149 12.561 12.524 1.00 0.00 H new ATOM 0 HE1 PHE B 86 1.274 15.510 15.299 1.00 0.00 H new ATOM 0 HE2 PHE B 86 4.773 13.048 14.874 1.00 0.00 H new ATOM 0 HZ PHE B 86 3.334 14.511 16.268 1.00 0.00 H new ATOM 680 N GLU B 87 2.845 13.136 8.175 1.00 0.00 N ATOM 681 CA GLU B 87 2.603 12.692 6.811 1.00 0.00 C ATOM 682 C GLU B 87 2.806 11.179 6.714 1.00 0.00 C ATOM 683 O GLU B 87 3.426 10.574 7.589 1.00 0.00 O ATOM 684 CB GLU B 87 3.548 13.456 5.877 1.00 0.00 C ATOM 685 CG GLU B 87 3.209 13.235 4.402 1.00 0.00 C ATOM 686 CD GLU B 87 4.078 14.117 3.508 1.00 0.00 C ATOM 687 OE1 GLU B 87 5.197 13.673 3.167 1.00 0.00 O ATOM 688 OE2 GLU B 87 3.617 15.230 3.170 1.00 0.00 O ATOM 0 H GLU B 87 3.575 12.611 8.656 1.00 0.00 H new ATOM 0 HA GLU B 87 1.575 12.900 6.514 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.497 14.521 6.104 1.00 0.00 H new ATOM 0 HB3 GLU B 87 4.574 13.139 6.063 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.359 12.187 4.143 1.00 0.00 H new ATOM 0 HG3 GLU B 87 2.156 13.459 4.229 1.00 0.00 H new ATOM 695 N GLY B 88 2.284 10.566 5.650 1.00 0.00 N ATOM 696 CA GLY B 88 2.380 9.132 5.435 1.00 0.00 C ATOM 697 C GLY B 88 1.817 8.751 4.071 1.00 0.00 C ATOM 698 O GLY B 88 0.612 8.848 3.852 1.00 0.00 O ATOM 0 H GLY B 88 1.781 11.059 4.912 1.00 0.00 H new ATOM 0 HA2 GLY B 88 3.422 8.818 5.504 1.00 0.00 H new ATOM 0 HA3 GLY B 88 1.836 8.605 6.218 1.00 0.00 H new ATOM 702 N SER B 89 2.682 8.319 3.150 1.00 0.00 N ATOM 703 CA SER B 89 2.252 7.834 1.847 1.00 0.00 C ATOM 704 C SER B 89 1.902 6.348 1.921 1.00 0.00 C ATOM 705 O SER B 89 2.139 5.695 2.939 1.00 0.00 O ATOM 706 CB SER B 89 3.349 8.090 0.814 1.00 0.00 C ATOM 707 OG SER B 89 4.545 7.448 1.207 1.00 0.00 O ATOM 0 H SER B 89 3.692 8.298 3.290 1.00 0.00 H new ATOM 0 HA SER B 89 1.355 8.373 1.541 1.00 0.00 H new ATOM 0 HB2 SER B 89 3.033 7.722 -0.162 1.00 0.00 H new ATOM 0 HB3 SER B 89 3.519 9.162 0.711 1.00 0.00 H new ATOM 0 HG SER B 89 5.241 7.616 0.538 1.00 0.00 H new ATOM 713 N GLY B 90 1.335 5.806 0.840 1.00 0.00 N ATOM 714 CA GLY B 90 0.983 4.395 0.780 1.00 0.00 C ATOM 715 C GLY B 90 0.393 4.018 -0.574 1.00 0.00 C ATOM 716 O GLY B 90 0.116 4.886 -1.398 1.00 0.00 O ATOM 0 H GLY B 90 1.111 6.330 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY B 90 1.869 3.790 0.972 1.00 0.00 H new ATOM 0 HA3 GLY B 90 0.264 4.165 1.567 1.00 0.00 H new ATOM 720 N ARG B 91 0.201 2.715 -0.804 1.00 0.00 N ATOM 721 CA ARG B 91 -0.369 2.203 -2.047 1.00 0.00 C ATOM 722 C ARG B 91 -1.863 2.497 -2.168 1.00 0.00 C ATOM 723 O ARG B 91 -2.404 2.427 -3.267 1.00 0.00 O ATOM 724 CB ARG B 91 -0.133 0.694 -2.146 1.00 0.00 C ATOM 725 CG ARG B 91 -0.538 -0.021 -0.852 1.00 0.00 C ATOM 726 CD ARG B 91 -0.429 -1.540 -0.978 1.00 0.00 C ATOM 727 NE ARG B 91 0.905 -1.955 -1.429 1.00 0.00 N ATOM 728 CZ ARG B 91 1.209 -2.292 -2.687 1.00 0.00 C ATOM 729 NH1 ARG B 91 0.282 -2.284 -3.643 1.00 0.00 N ATOM 730 NH2 ARG B 91 2.455 -2.641 -2.996 1.00 0.00 N ATOM 0 H ARG B 91 0.438 1.987 -0.130 1.00 0.00 H new ATOM 0 HA ARG B 91 0.133 2.716 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG B 91 -0.704 0.289 -2.981 1.00 0.00 H new ATOM 0 HB3 ARG B 91 0.919 0.502 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG B 91 0.097 0.321 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG B 91 -1.562 0.249 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG B 91 -0.647 -2.001 -0.015 1.00 0.00 H new ATOM 0 HD3 ARG B 91 -1.179 -1.901 -1.681 1.00 0.00 H new ATOM 0 HE ARG B 91 1.652 -1.989 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG B 91 -0.677 -2.018 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG B 91 0.531 -2.544 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG B 91 3.176 -2.651 -2.274 1.00 0.00 H new ATOM 0 HH22 ARG B 91 2.690 -2.899 -3.955 1.00 0.00 H new ATOM 744 N ASN B 92 -2.527 2.822 -1.056 1.00 0.00 N ATOM 745 CA ASN B 92 -3.941 3.162 -1.049 1.00 0.00 C ATOM 746 C ASN B 92 -4.218 4.192 0.048 1.00 0.00 C ATOM 747 O ASN B 92 -3.344 4.482 0.867 1.00 0.00 O ATOM 748 CB ASN B 92 -4.788 1.893 -0.884 1.00 0.00 C ATOM 749 CG ASN B 92 -4.556 1.187 0.440 1.00 0.00 C ATOM 750 OD1 ASN B 92 -4.812 1.751 1.497 1.00 0.00 O ATOM 751 ND2 ASN B 92 -4.071 -0.050 0.398 1.00 0.00 N ATOM 0 H ASN B 92 -2.092 2.855 -0.134 1.00 0.00 H new ATOM 0 HA ASN B 92 -4.219 3.612 -2.002 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -5.843 2.154 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -4.563 1.205 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN B 92 -3.901 -0.561 1.264 1.00 0.00 H new ATOM 0 HD22 ASN B 92 -3.869 -0.489 -0.501 1.00 0.00 H new ATOM 758 N LYS B 93 -5.433 4.746 0.067 1.00 0.00 N ATOM 759 CA LYS B 93 -5.801 5.805 1.000 1.00 0.00 C ATOM 760 C LYS B 93 -5.749 5.352 2.460 1.00 0.00 C ATOM 761 O LYS B 93 -5.365 6.137 3.327 1.00 0.00 O ATOM 762 CB LYS B 93 -7.199 6.319 0.649 1.00 0.00 C ATOM 763 CG LYS B 93 -7.191 6.977 -0.732 1.00 0.00 C ATOM 764 CD LYS B 93 -8.572 7.542 -1.066 1.00 0.00 C ATOM 765 CE LYS B 93 -8.519 8.233 -2.428 1.00 0.00 C ATOM 766 NZ LYS B 93 -9.819 8.840 -2.773 1.00 0.00 N ATOM 0 H LYS B 93 -6.186 4.471 -0.564 1.00 0.00 H new ATOM 0 HA LYS B 93 -5.069 6.606 0.900 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.911 5.494 0.662 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -7.529 7.037 1.400 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.450 7.776 -0.756 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -6.898 6.247 -1.487 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -9.311 6.741 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -8.883 8.250 -0.298 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.747 9.003 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -8.238 7.510 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.751 9.301 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -10.550 8.101 -2.806 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -10.074 9.547 -2.054 1.00 0.00 H new ATOM 780 N LYS B 94 -6.127 4.100 2.745 1.00 0.00 N ATOM 781 CA LYS B 94 -6.114 3.586 4.112 1.00 0.00 C ATOM 782 C LYS B 94 -4.682 3.445 4.615 1.00 0.00 C ATOM 783 O LYS B 94 -4.391 3.765 5.766 1.00 0.00 O ATOM 784 CB LYS B 94 -6.804 2.220 4.169 1.00 0.00 C ATOM 785 CG LYS B 94 -8.297 2.316 3.854 1.00 0.00 C ATOM 786 CD LYS B 94 -8.935 0.936 4.042 1.00 0.00 C ATOM 787 CE LYS B 94 -10.459 1.010 3.962 1.00 0.00 C ATOM 788 NZ LYS B 94 -10.917 1.438 2.627 1.00 0.00 N ATOM 0 H LYS B 94 -6.444 3.428 2.046 1.00 0.00 H new ATOM 0 HA LYS B 94 -6.650 4.292 4.747 1.00 0.00 H new ATOM 0 HB2 LYS B 94 -6.327 1.544 3.460 1.00 0.00 H new ATOM 0 HB3 LYS B 94 -6.670 1.788 5.161 1.00 0.00 H new ATOM 0 HG2 LYS B 94 -8.774 3.044 4.510 1.00 0.00 H new ATOM 0 HG3 LYS B 94 -8.445 2.663 2.831 1.00 0.00 H new ATOM 0 HD2 LYS B 94 -8.562 0.254 3.278 1.00 0.00 H new ATOM 0 HD3 LYS B 94 -8.639 0.525 5.008 1.00 0.00 H new ATOM 0 HE2 LYS B 94 -10.883 0.034 4.196 1.00 0.00 H new ATOM 0 HE3 LYS B 94 -10.829 1.707 4.714 1.00 0.00 H new ATOM 0 HZ1 LYS B 94 -11.955 1.395 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 94 -10.604 2.414 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 94 -10.515 0.808 1.904 1.00 0.00 H new ATOM 802 N LEU B 95 -3.789 2.964 3.748 1.00 0.00 N ATOM 803 CA LEU B 95 -2.392 2.728 4.072 1.00 0.00 C ATOM 804 C LEU B 95 -1.703 4.057 4.381 1.00 0.00 C ATOM 805 O LEU B 95 -0.894 4.142 5.303 1.00 0.00 O ATOM 806 CB LEU B 95 -1.760 2.003 2.874 1.00 0.00 C ATOM 807 CG LEU B 95 -0.557 1.104 3.183 1.00 0.00 C ATOM 808 CD1 LEU B 95 0.665 1.880 3.658 1.00 0.00 C ATOM 809 CD2 LEU B 95 -0.906 0.032 4.215 1.00 0.00 C ATOM 0 H LEU B 95 -4.027 2.725 2.785 1.00 0.00 H new ATOM 0 HA LEU B 95 -2.282 2.106 4.961 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -2.529 1.394 2.398 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -1.450 2.752 2.145 1.00 0.00 H new ATOM 0 HG LEU B 95 -0.303 0.628 2.236 1.00 0.00 H new ATOM 0 HD11 LEU B 95 1.481 1.186 3.860 1.00 0.00 H new ATOM 0 HD12 LEU B 95 0.971 2.585 2.885 1.00 0.00 H new ATOM 0 HD13 LEU B 95 0.418 2.425 4.569 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -0.029 -0.586 4.409 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -1.225 0.509 5.141 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -1.713 -0.593 3.832 1.00 0.00 H new ATOM 821 N ALA B 96 -2.026 5.100 3.608 1.00 0.00 N ATOM 822 CA ALA B 96 -1.494 6.434 3.838 1.00 0.00 C ATOM 823 C ALA B 96 -1.875 6.935 5.233 1.00 0.00 C ATOM 824 O ALA B 96 -1.003 7.325 6.007 1.00 0.00 O ATOM 825 CB ALA B 96 -2.013 7.384 2.758 1.00 0.00 C ATOM 0 H ALA B 96 -2.660 5.037 2.812 1.00 0.00 H new ATOM 0 HA ALA B 96 -0.406 6.398 3.784 1.00 0.00 H new ATOM 0 HB1 ALA B 96 -1.614 8.384 2.931 1.00 0.00 H new ATOM 0 HB2 ALA B 96 -1.693 7.030 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 96 -3.102 7.416 2.795 1.00 0.00 H new ATOM 831 N LYS B 97 -3.174 6.928 5.562 1.00 0.00 N ATOM 832 CA LYS B 97 -3.633 7.393 6.866 1.00 0.00 C ATOM 833 C LYS B 97 -3.065 6.532 7.987 1.00 0.00 C ATOM 834 O LYS B 97 -2.803 7.047 9.068 1.00 0.00 O ATOM 835 CB LYS B 97 -5.161 7.388 6.911 1.00 0.00 C ATOM 836 CG LYS B 97 -5.684 8.285 8.036 1.00 0.00 C ATOM 837 CD LYS B 97 -7.179 8.034 8.238 1.00 0.00 C ATOM 838 CE LYS B 97 -7.759 8.934 9.329 1.00 0.00 C ATOM 839 NZ LYS B 97 -7.985 10.306 8.840 1.00 0.00 N ATOM 0 H LYS B 97 -3.918 6.606 4.943 1.00 0.00 H new ATOM 0 HA LYS B 97 -3.275 8.412 7.014 1.00 0.00 H new ATOM 0 HB2 LYS B 97 -5.557 7.731 5.955 1.00 0.00 H new ATOM 0 HB3 LYS B 97 -5.520 6.369 7.058 1.00 0.00 H new ATOM 0 HG2 LYS B 97 -5.142 8.081 8.960 1.00 0.00 H new ATOM 0 HG3 LYS B 97 -5.511 9.333 7.790 1.00 0.00 H new ATOM 0 HD2 LYS B 97 -7.708 8.210 7.301 1.00 0.00 H new ATOM 0 HD3 LYS B 97 -7.340 6.989 8.504 1.00 0.00 H new ATOM 0 HE2 LYS B 97 -8.700 8.515 9.685 1.00 0.00 H new ATOM 0 HE3 LYS B 97 -7.079 8.958 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 -8.856 10.686 9.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 -7.180 10.907 9.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 -8.079 10.294 7.804 1.00 0.00 H new ATOM 853 N ALA B 98 -2.868 5.231 7.754 1.00 0.00 N ATOM 854 CA ALA B 98 -2.330 4.351 8.780 1.00 0.00 C ATOM 855 C ALA B 98 -0.890 4.737 9.104 1.00 0.00 C ATOM 856 O ALA B 98 -0.484 4.701 10.263 1.00 0.00 O ATOM 857 CB ALA B 98 -2.403 2.905 8.291 1.00 0.00 C ATOM 0 H ALA B 98 -3.074 4.771 6.867 1.00 0.00 H new ATOM 0 HA ALA B 98 -2.920 4.450 9.691 1.00 0.00 H new ATOM 0 HB1 ALA B 98 -2.001 2.241 9.056 1.00 0.00 H new ATOM 0 HB2 ALA B 98 -3.441 2.641 8.091 1.00 0.00 H new ATOM 0 HB3 ALA B 98 -1.819 2.800 7.377 1.00 0.00 H new ATOM 863 N ARG B 99 -0.114 5.106 8.080 1.00 0.00 N ATOM 864 CA ARG B 99 1.273 5.509 8.255 1.00 0.00 C ATOM 865 C ARG B 99 1.358 6.853 8.976 1.00 0.00 C ATOM 866 O ARG B 99 2.107 6.993 9.940 1.00 0.00 O ATOM 867 CB ARG B 99 1.935 5.571 6.880 1.00 0.00 C ATOM 868 CG ARG B 99 3.441 5.787 7.026 1.00 0.00 C ATOM 869 CD ARG B 99 4.102 5.695 5.652 1.00 0.00 C ATOM 870 NE ARG B 99 5.551 5.904 5.744 1.00 0.00 N ATOM 871 CZ ARG B 99 6.446 4.940 5.984 1.00 0.00 C ATOM 872 NH1 ARG B 99 6.062 3.677 6.161 1.00 0.00 N ATOM 873 NH2 ARG B 99 7.742 5.238 6.048 1.00 0.00 N ATOM 0 H ARG B 99 -0.434 5.132 7.112 1.00 0.00 H new ATOM 0 HA ARG B 99 1.798 4.782 8.875 1.00 0.00 H new ATOM 0 HB2 ARG B 99 1.744 4.646 6.335 1.00 0.00 H new ATOM 0 HB3 ARG B 99 1.499 6.381 6.295 1.00 0.00 H new ATOM 0 HG2 ARG B 99 3.638 6.762 7.472 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.864 5.038 7.696 1.00 0.00 H new ATOM 0 HD2 ARG B 99 3.900 4.718 5.213 1.00 0.00 H new ATOM 0 HD3 ARG B 99 3.666 6.439 4.986 1.00 0.00 H new ATOM 0 HE ARG B 99 5.901 6.853 5.616 1.00 0.00 H new ATOM 0 HH11 ARG B 99 5.073 3.433 6.114 1.00 0.00 H new ATOM 0 HH12 ARG B 99 6.757 2.953 6.343 1.00 0.00 H new ATOM 0 HH21 ARG B 99 8.051 6.201 5.914 1.00 0.00 H new ATOM 0 HH22 ARG B 99 8.426 4.504 6.231 1.00 0.00 H new ATOM 887 N ALA B 100 0.592 7.841 8.509 1.00 0.00 N ATOM 888 CA ALA B 100 0.592 9.178 9.076 1.00 0.00 C ATOM 889 C ALA B 100 0.006 9.187 10.486 1.00 0.00 C ATOM 890 O ALA B 100 0.499 9.902 11.356 1.00 0.00 O ATOM 891 CB ALA B 100 -0.224 10.088 8.162 1.00 0.00 C ATOM 0 H ALA B 100 -0.047 7.729 7.722 1.00 0.00 H new ATOM 0 HA ALA B 100 1.619 9.534 9.150 1.00 0.00 H new ATOM 0 HB1 ALA B 100 -0.236 11.098 8.571 1.00 0.00 H new ATOM 0 HB2 ALA B 100 0.225 10.104 7.169 1.00 0.00 H new ATOM 0 HB3 ALA B 100 -1.245 9.713 8.092 1.00 0.00 H new ATOM 897 N ALA B 101 -1.046 8.396 10.718 1.00 0.00 N ATOM 898 CA ALA B 101 -1.683 8.322 12.019 1.00 0.00 C ATOM 899 C ALA B 101 -0.778 7.608 13.020 1.00 0.00 C ATOM 900 O ALA B 101 -0.751 7.977 14.190 1.00 0.00 O ATOM 901 CB ALA B 101 -3.018 7.595 11.884 1.00 0.00 C ATOM 0 H ALA B 101 -1.471 7.797 10.010 1.00 0.00 H new ATOM 0 HA ALA B 101 -1.861 9.331 12.392 1.00 0.00 H new ATOM 0 HB1 ALA B 101 -3.501 7.537 12.859 1.00 0.00 H new ATOM 0 HB2 ALA B 101 -3.661 8.140 11.193 1.00 0.00 H new ATOM 0 HB3 ALA B 101 -2.847 6.588 11.503 1.00 0.00 H new ATOM 907 N GLN B 102 -0.035 6.590 12.577 1.00 0.00 N ATOM 908 CA GLN B 102 0.928 5.920 13.437 1.00 0.00 C ATOM 909 C GLN B 102 2.011 6.906 13.870 1.00 0.00 C ATOM 910 O GLN B 102 2.446 6.871 15.020 1.00 0.00 O ATOM 911 CB GLN B 102 1.497 4.705 12.697 1.00 0.00 C ATOM 912 CG GLN B 102 2.629 4.007 13.455 1.00 0.00 C ATOM 913 CD GLN B 102 3.975 4.708 13.291 1.00 0.00 C ATOM 914 OE1 GLN B 102 4.395 5.010 12.177 1.00 0.00 O ATOM 915 NE2 GLN B 102 4.664 4.976 14.397 1.00 0.00 N ATOM 0 H GLN B 102 -0.086 6.217 11.629 1.00 0.00 H new ATOM 0 HA GLN B 102 0.447 5.560 14.346 1.00 0.00 H new ATOM 0 HB2 GLN B 102 0.695 3.989 12.518 1.00 0.00 H new ATOM 0 HB3 GLN B 102 1.865 5.023 11.721 1.00 0.00 H new ATOM 0 HG2 GLN B 102 2.376 3.961 14.514 1.00 0.00 H new ATOM 0 HG3 GLN B 102 2.715 2.979 13.103 1.00 0.00 H new ATOM 0 HE21 GLN B 102 4.289 4.713 15.308 1.00 0.00 H new ATOM 0 HE22 GLN B 102 5.568 5.445 14.334 1.00 0.00 H new ATOM 924 N SER B 103 2.450 7.787 12.965 1.00 0.00 N ATOM 925 CA SER B 103 3.427 8.808 13.318 1.00 0.00 C ATOM 926 C SER B 103 2.817 9.807 14.297 1.00 0.00 C ATOM 927 O SER B 103 3.447 10.165 15.291 1.00 0.00 O ATOM 928 CB SER B 103 3.903 9.542 12.065 1.00 0.00 C ATOM 929 OG SER B 103 4.563 8.643 11.198 1.00 0.00 O ATOM 0 H SER B 103 2.144 7.810 11.992 1.00 0.00 H new ATOM 0 HA SER B 103 4.280 8.320 13.791 1.00 0.00 H new ATOM 0 HB2 SER B 103 3.053 9.995 11.554 1.00 0.00 H new ATOM 0 HB3 SER B 103 4.577 10.353 12.343 1.00 0.00 H new ATOM 0 HG SER B 103 3.902 8.075 10.751 1.00 0.00 H new ATOM 935 N ALA B 104 1.589 10.256 14.019 1.00 0.00 N ATOM 936 CA ALA B 104 0.895 11.208 14.870 1.00 0.00 C ATOM 937 C ALA B 104 0.677 10.634 16.270 1.00 0.00 C ATOM 938 O ALA B 104 0.806 11.350 17.260 1.00 0.00 O ATOM 939 CB ALA B 104 -0.438 11.567 14.220 1.00 0.00 C ATOM 0 H ALA B 104 1.056 9.967 13.199 1.00 0.00 H new ATOM 0 HA ALA B 104 1.503 12.106 14.978 1.00 0.00 H new ATOM 0 HB1 ALA B 104 -0.969 12.281 14.849 1.00 0.00 H new ATOM 0 HB2 ALA B 104 -0.258 12.010 13.241 1.00 0.00 H new ATOM 0 HB3 ALA B 104 -1.041 10.666 14.105 1.00 0.00 H new ATOM 945 N LEU B 105 0.348 9.341 16.347 1.00 0.00 N ATOM 946 CA LEU B 105 0.142 8.635 17.600 1.00 0.00 C ATOM 947 C LEU B 105 1.443 8.621 18.394 1.00 0.00 C ATOM 948 O LEU B 105 1.518 9.239 19.452 1.00 0.00 O ATOM 949 CB LEU B 105 -0.359 7.219 17.279 1.00 0.00 C ATOM 950 CG LEU B 105 -0.855 6.434 18.499 1.00 0.00 C ATOM 951 CD1 LEU B 105 -1.575 5.180 18.008 1.00 0.00 C ATOM 952 CD2 LEU B 105 0.278 5.983 19.422 1.00 0.00 C ATOM 0 H LEU B 105 0.217 8.753 15.524 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.607 9.133 18.216 1.00 0.00 H new ATOM 0 HB2 LEU B 105 -1.169 7.289 16.553 1.00 0.00 H new ATOM 0 HB3 LEU B 105 0.447 6.660 16.805 1.00 0.00 H new ATOM 0 HG LEU B 105 -1.508 7.099 19.065 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -1.935 4.609 18.864 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -2.420 5.467 17.382 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.885 4.568 17.427 1.00 0.00 H new ATOM 0 HD21 LEU B 105 -0.138 5.433 20.266 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.962 5.338 18.870 1.00 0.00 H new ATOM 0 HD23 LEU B 105 0.818 6.856 19.788 1.00 0.00 H new ATOM 964 N ALA B 106 2.465 7.923 17.892 1.00 0.00 N ATOM 965 CA ALA B 106 3.712 7.737 18.617 1.00 0.00 C ATOM 966 C ALA B 106 4.296 9.055 19.130 1.00 0.00 C ATOM 967 O ALA B 106 4.774 9.115 20.262 1.00 0.00 O ATOM 968 CB ALA B 106 4.704 7.020 17.702 1.00 0.00 C ATOM 0 H ALA B 106 2.446 7.475 16.976 1.00 0.00 H new ATOM 0 HA ALA B 106 3.511 7.133 19.502 1.00 0.00 H new ATOM 0 HB1 ALA B 106 5.646 6.872 18.231 1.00 0.00 H new ATOM 0 HB2 ALA B 106 4.296 6.052 17.410 1.00 0.00 H new ATOM 0 HB3 ALA B 106 4.879 7.623 16.811 1.00 0.00 H new ATOM 974 N THR B 107 4.268 10.115 18.317 1.00 0.00 N ATOM 975 CA THR B 107 4.830 11.394 18.727 1.00 0.00 C ATOM 976 C THR B 107 3.973 12.078 19.789 1.00 0.00 C ATOM 977 O THR B 107 4.458 12.343 20.888 1.00 0.00 O ATOM 978 CB THR B 107 5.007 12.301 17.512 1.00 0.00 C ATOM 979 OG1 THR B 107 5.853 11.667 16.577 1.00 0.00 O ATOM 980 CG2 THR B 107 5.657 13.615 17.936 1.00 0.00 C ATOM 0 H THR B 107 3.865 10.108 17.380 1.00 0.00 H new ATOM 0 HA THR B 107 5.805 11.202 19.175 1.00 0.00 H new ATOM 0 HB THR B 107 4.030 12.497 17.070 1.00 0.00 H new ATOM 0 HG1 THR B 107 5.323 11.072 16.007 1.00 0.00 H new ATOM 0 HG21 THR B 107 5.781 14.258 17.064 1.00 0.00 H new ATOM 0 HG22 THR B 107 5.023 14.115 18.668 1.00 0.00 H new ATOM 0 HG23 THR B 107 6.632 13.412 18.378 1.00 0.00 H new ATOM 988 N VAL B 108 2.707 12.368 19.477 1.00 0.00 N ATOM 989 CA VAL B 108 1.845 13.129 20.375 1.00 0.00 C ATOM 990 C VAL B 108 1.533 12.349 21.651 1.00 0.00 C ATOM 991 O VAL B 108 1.329 12.951 22.704 1.00 0.00 O ATOM 992 CB VAL B 108 0.552 13.504 19.642 1.00 0.00 C ATOM 993 CG1 VAL B 108 -0.373 14.325 20.541 1.00 0.00 C ATOM 994 CG2 VAL B 108 0.873 14.347 18.407 1.00 0.00 C ATOM 0 H VAL B 108 2.258 12.085 18.606 1.00 0.00 H new ATOM 0 HA VAL B 108 2.371 14.036 20.673 1.00 0.00 H new ATOM 0 HB VAL B 108 0.058 12.575 19.357 1.00 0.00 H new ATOM 0 HG11 VAL B 108 -1.282 14.577 19.995 1.00 0.00 H new ATOM 0 HG12 VAL B 108 -0.631 13.743 21.426 1.00 0.00 H new ATOM 0 HG13 VAL B 108 0.134 15.241 20.844 1.00 0.00 H new ATOM 0 HG21 VAL B 108 -0.053 14.608 17.894 1.00 0.00 H new ATOM 0 HG22 VAL B 108 1.388 15.258 18.712 1.00 0.00 H new ATOM 0 HG23 VAL B 108 1.513 13.777 17.734 1.00 0.00 H new ATOM 1004 N PHE B 109 1.490 11.016 21.574 1.00 0.00 N ATOM 1005 CA PHE B 109 1.170 10.187 22.729 1.00 0.00 C ATOM 1006 C PHE B 109 2.430 9.838 23.521 1.00 0.00 C ATOM 1007 O PHE B 109 2.324 9.231 24.584 1.00 0.00 O ATOM 1008 CB PHE B 109 0.487 8.890 22.287 1.00 0.00 C ATOM 1009 CG PHE B 109 -0.896 9.009 21.667 1.00 0.00 C ATOM 1010 CD1 PHE B 109 -1.401 10.229 21.187 1.00 0.00 C ATOM 1011 CD2 PHE B 109 -1.694 7.858 21.574 1.00 0.00 C ATOM 1012 CE1 PHE B 109 -2.696 10.304 20.659 1.00 0.00 C ATOM 1013 CE2 PHE B 109 -2.980 7.929 21.027 1.00 0.00 C ATOM 1014 CZ PHE B 109 -3.491 9.155 20.590 1.00 0.00 C ATOM 0 H PHE B 109 1.674 10.491 20.719 1.00 0.00 H new ATOM 0 HA PHE B 109 0.495 10.759 23.365 1.00 0.00 H new ATOM 0 HB2 PHE B 109 1.138 8.394 21.567 1.00 0.00 H new ATOM 0 HB3 PHE B 109 0.413 8.235 23.155 1.00 0.00 H new ATOM 0 HD1 PHE B 109 -0.786 11.116 21.225 1.00 0.00 H new ATOM 0 HD2 PHE B 109 -1.313 6.911 21.927 1.00 0.00 H new ATOM 0 HE1 PHE B 109 -3.081 11.249 20.305 1.00 0.00 H new ATOM 0 HE2 PHE B 109 -3.579 7.035 20.942 1.00 0.00 H new ATOM 0 HZ PHE B 109 -4.496 9.215 20.200 1.00 0.00 H new ATOM 1024 N ASN B 110 3.614 10.214 23.020 1.00 0.00 N ATOM 1025 CA ASN B 110 4.892 9.898 23.648 1.00 0.00 C ATOM 1026 C ASN B 110 5.097 8.387 23.818 1.00 0.00 C ATOM 1027 O ASN B 110 5.868 7.955 24.673 1.00 0.00 O ATOM 1028 CB ASN B 110 5.030 10.658 24.971 1.00 0.00 C ATOM 1029 CG ASN B 110 5.004 12.169 24.778 1.00 0.00 C ATOM 1030 OD1 ASN B 110 6.006 12.845 24.992 1.00 0.00 O ATOM 1031 ND2 ASN B 110 3.860 12.714 24.374 1.00 0.00 N ATOM 0 H ASN B 110 3.706 10.752 22.158 1.00 0.00 H new ATOM 0 HA ASN B 110 5.689 10.231 22.983 1.00 0.00 H new ATOM 0 HB2 ASN B 110 4.221 10.366 25.641 1.00 0.00 H new ATOM 0 HB3 ASN B 110 5.964 10.372 25.455 1.00 0.00 H new ATOM 0 HD21 ASN B 110 3.797 13.722 24.233 1.00 0.00 H new ATOM 0 HD22 ASN B 110 3.046 12.124 24.205 1.00 0.00 H new ATOM 1038 N LEU B 111 4.404 7.586 23.002 1.00 0.00 N ATOM 1039 CA LEU B 111 4.434 6.130 23.050 1.00 0.00 C ATOM 1040 C LEU B 111 4.782 5.569 21.670 1.00 0.00 C ATOM 1041 O LEU B 111 5.266 6.297 20.808 1.00 0.00 O ATOM 1042 CB LEU B 111 3.077 5.614 23.547 1.00 0.00 C ATOM 1043 CG LEU B 111 2.826 5.969 25.017 1.00 0.00 C ATOM 1044 CD1 LEU B 111 1.365 5.685 25.355 1.00 0.00 C ATOM 1045 CD2 LEU B 111 3.716 5.135 25.938 1.00 0.00 C ATOM 0 H LEU B 111 3.791 7.948 22.271 1.00 0.00 H new ATOM 0 HA LEU B 111 5.204 5.793 23.744 1.00 0.00 H new ATOM 0 HB2 LEU B 111 2.282 6.036 22.932 1.00 0.00 H new ATOM 0 HB3 LEU B 111 3.034 4.532 23.424 1.00 0.00 H new ATOM 0 HG LEU B 111 3.057 7.024 25.165 1.00 0.00 H new ATOM 0 HD11 LEU B 111 1.178 5.935 26.399 1.00 0.00 H new ATOM 0 HD12 LEU B 111 0.720 6.288 24.716 1.00 0.00 H new ATOM 0 HD13 LEU B 111 1.152 4.629 25.191 1.00 0.00 H new ATOM 0 HD21 LEU B 111 3.520 5.405 26.976 1.00 0.00 H new ATOM 0 HD22 LEU B 111 3.501 4.077 25.791 1.00 0.00 H new ATOM 0 HD23 LEU B 111 4.763 5.328 25.705 1.00 0.00 H new ATOM 1057 N HIS B 112 4.539 4.273 21.458 1.00 0.00 N ATOM 1058 CA HIS B 112 4.743 3.639 20.164 1.00 0.00 C ATOM 1059 C HIS B 112 3.581 2.694 19.869 1.00 0.00 C ATOM 1060 O HIS B 112 2.843 2.308 20.776 1.00 0.00 O ATOM 1061 CB HIS B 112 6.084 2.904 20.170 1.00 0.00 C ATOM 1062 CG HIS B 112 6.502 2.401 18.815 1.00 0.00 C ATOM 1063 ND1 HIS B 112 6.111 1.221 18.223 1.00 0.00 N ATOM 1064 CD2 HIS B 112 7.347 3.043 17.951 1.00 0.00 C ATOM 1065 CE1 HIS B 112 6.719 1.155 17.026 1.00 0.00 C ATOM 1066 NE2 HIS B 112 7.479 2.242 16.811 1.00 0.00 N ATOM 0 H HIS B 112 4.196 3.640 22.180 1.00 0.00 H new ATOM 0 HA HIS B 112 4.771 4.389 19.374 1.00 0.00 H new ATOM 0 HB2 HIS B 112 6.854 3.574 20.553 1.00 0.00 H new ATOM 0 HB3 HIS B 112 6.024 2.061 20.858 1.00 0.00 H new ATOM 0 HD1 HIS B 112 5.478 0.526 18.619 1.00 0.00 H new ATOM 0 HD2 HIS B 112 7.826 3.996 18.119 1.00 0.00 H new ATOM 0 HE1 HIS B 112 6.611 0.337 16.329 1.00 0.00 H new ATOM 1074 N LEU B 113 3.417 2.320 18.596 1.00 0.00 N ATOM 1075 CA LEU B 113 2.361 1.414 18.170 1.00 0.00 C ATOM 1076 C LEU B 113 2.636 -0.004 18.676 1.00 0.00 C ATOM 1077 O LEU B 113 1.676 -0.633 19.172 1.00 0.00 O ATOM 1078 CB LEU B 113 2.255 1.464 16.642 1.00 0.00 C ATOM 1079 CG LEU B 113 1.058 0.665 16.121 1.00 0.00 C ATOM 1080 CD1 LEU B 113 -0.251 1.237 16.664 1.00 0.00 C ATOM 1081 CD2 LEU B 113 1.023 0.751 14.595 1.00 0.00 C ATOM 1082 OXT LEU B 113 3.803 -0.442 18.561 1.00 0.00 O ATOM 0 H LEU B 113 4.017 2.641 17.836 1.00 0.00 H new ATOM 0 HA LEU B 113 1.407 1.724 18.596 1.00 0.00 H new ATOM 0 HB2 LEU B 113 2.166 2.501 16.319 1.00 0.00 H new ATOM 0 HB3 LEU B 113 3.172 1.071 16.202 1.00 0.00 H new ATOM 0 HG LEU B 113 1.164 -0.369 16.449 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -1.089 0.654 16.281 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -0.244 1.191 17.753 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -0.355 2.274 16.345 1.00 0.00 H new ATOM 0 HD21 LEU B 113 0.172 0.184 14.218 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.927 1.793 14.291 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.945 0.337 14.186 1.00 0.00 H new