USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot 170:sc= 0 USER MOD Single : A 10 HIS : no HE2:sc= -0.319 X(o=-0.32,f=-0.11) USER MOD Single : A 11 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 171:sc= 0.502 USER MOD Single : A 30 HIS : no HD1:sc=-0.00289 X(o=-0.0029,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 79:sc= 0.699 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 HIS : no HE2:sc= -0.122 K(o=-0.12,f=-0.69) USER MOD Single : A 44 TYR OH : rot -140:sc= -2.57! USER MOD Single : A 45 MET CE :methyl 163:sc= -2.21! (180deg=-3.59!) USER MOD Single : A 46 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 47 ASN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 50 SER OG : rot 32:sc= 0.38 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0163 (180deg=-0.153) USER MOD Single : A 55 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.16) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.043) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= -0.0081 (180deg=-0.0955) USER MOD Single : A 81 SER OG : rot 180:sc= -0.835 USER MOD Single : A 82 GLN : amide:sc= -0.107 X(o=-0.11,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 2.822 -16.390 1.276 1.00 0.00 N ATOM 30 CA ASP A 3 2.196 -15.393 2.147 1.00 0.00 C ATOM 31 C ASP A 3 3.055 -14.131 2.259 1.00 0.00 C ATOM 32 O ASP A 3 4.271 -14.174 2.062 1.00 0.00 O ATOM 33 CB ASP A 3 1.952 -15.975 3.544 1.00 0.00 C ATOM 34 CG ASP A 3 3.095 -16.849 4.035 1.00 0.00 C ATOM 35 OD1 ASP A 3 4.265 -16.428 3.914 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.820 -17.956 4.540 1.00 0.00 O ATOM 0 HA ASP A 3 1.241 -15.121 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.798 -15.158 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.034 -16.562 3.531 1.00 0.00 H new ATOM 41 N VAL A 4 2.408 -13.009 2.584 1.00 0.00 N ATOM 42 CA VAL A 4 3.100 -11.729 2.734 1.00 0.00 C ATOM 43 C VAL A 4 2.390 -10.838 3.758 1.00 0.00 C ATOM 44 O VAL A 4 1.182 -10.615 3.661 1.00 0.00 O ATOM 45 CB VAL A 4 3.188 -10.961 1.395 1.00 0.00 C ATOM 46 CG1 VAL A 4 4.108 -9.758 1.530 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.668 -11.865 0.272 1.00 0.00 C ATOM 0 H VAL A 4 1.402 -12.963 2.749 1.00 0.00 H new ATOM 0 HA VAL A 4 4.108 -11.962 3.078 1.00 0.00 H new ATOM 0 HB VAL A 4 2.186 -10.613 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.158 -9.229 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.720 -9.088 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.106 -10.093 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.719 -11.296 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.657 -12.253 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.972 -12.695 0.151 1.00 0.00 H new ATOM 57 N ARG A 5 3.145 -10.327 4.733 1.00 0.00 N ATOM 58 CA ARG A 5 2.577 -9.456 5.763 1.00 0.00 C ATOM 59 C ARG A 5 2.798 -7.984 5.417 1.00 0.00 C ATOM 60 O ARG A 5 3.938 -7.519 5.348 1.00 0.00 O ATOM 61 CB ARG A 5 3.190 -9.761 7.135 1.00 0.00 C ATOM 62 CG ARG A 5 2.208 -10.381 8.117 1.00 0.00 C ATOM 63 CD ARG A 5 2.868 -11.475 8.941 1.00 0.00 C ATOM 64 NE ARG A 5 1.889 -12.384 9.535 1.00 0.00 N ATOM 65 CZ ARG A 5 2.204 -13.550 10.105 1.00 0.00 C ATOM 66 NH1 ARG A 5 3.471 -13.954 10.167 1.00 0.00 N ATOM 67 NH2 ARG A 5 1.247 -14.316 10.618 1.00 0.00 N ATOM 0 H ARG A 5 4.145 -10.500 4.831 1.00 0.00 H new ATOM 0 HA ARG A 5 1.505 -9.650 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.035 -10.437 7.004 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.583 -8.838 7.561 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.817 -9.609 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.359 -10.794 7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.551 -12.042 8.309 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.467 -11.022 9.731 1.00 0.00 H new ATOM 0 HE ARG A 5 0.906 -12.111 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.212 -13.371 9.777 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.701 -14.846 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.274 -14.013 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.486 -15.207 11.054 1.00 0.00 H new ATOM 81 N ILE A 6 1.701 -7.257 5.200 1.00 0.00 N ATOM 82 CA ILE A 6 1.773 -5.837 4.861 1.00 0.00 C ATOM 83 C ILE A 6 1.321 -4.965 6.034 1.00 0.00 C ATOM 84 O ILE A 6 0.171 -5.046 6.472 1.00 0.00 O ATOM 85 CB ILE A 6 0.915 -5.502 3.619 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.185 -6.505 2.492 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.195 -4.080 3.146 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.164 -6.454 1.376 1.00 0.00 C ATOM 0 H ILE A 6 0.753 -7.629 5.253 1.00 0.00 H new ATOM 0 HA ILE A 6 2.817 -5.622 4.634 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.136 -5.573 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.174 -6.314 2.077 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.204 -7.512 2.910 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.583 -3.860 2.271 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.954 -3.377 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.249 -3.984 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.420 -7.191 0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.825 -6.675 1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.161 -5.459 0.931 1.00 0.00 H new ATOM 100 N LYS A 7 2.235 -4.132 6.532 1.00 0.00 N ATOM 101 CA LYS A 7 1.941 -3.238 7.649 1.00 0.00 C ATOM 102 C LYS A 7 1.531 -1.857 7.142 1.00 0.00 C ATOM 103 O LYS A 7 2.360 -1.108 6.616 1.00 0.00 O ATOM 104 CB LYS A 7 3.157 -3.116 8.572 1.00 0.00 C ATOM 105 CG LYS A 7 3.209 -4.181 9.655 1.00 0.00 C ATOM 106 CD LYS A 7 3.993 -5.401 9.201 1.00 0.00 C ATOM 107 CE LYS A 7 3.373 -6.692 9.715 1.00 0.00 C ATOM 108 NZ LYS A 7 3.910 -7.082 11.049 1.00 0.00 N ATOM 0 H LYS A 7 3.188 -4.059 6.177 1.00 0.00 H new ATOM 0 HA LYS A 7 1.111 -3.663 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.065 -3.175 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.149 -2.132 9.042 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.668 -3.766 10.553 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.195 -4.478 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.031 -5.424 8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.021 -5.325 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.292 -6.572 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.562 -7.493 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.460 -7.967 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.938 -7.222 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.707 -6.330 11.738 1.00 0.00 H new ATOM 122 N PHE A 8 0.251 -1.527 7.303 1.00 0.00 N ATOM 123 CA PHE A 8 -0.273 -0.238 6.862 1.00 0.00 C ATOM 124 C PHE A 8 -0.495 0.701 8.046 1.00 0.00 C ATOM 125 O PHE A 8 -0.918 0.269 9.121 1.00 0.00 O ATOM 126 CB PHE A 8 -1.587 -0.431 6.101 1.00 0.00 C ATOM 127 CG PHE A 8 -1.401 -0.696 4.632 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.051 0.329 3.768 1.00 0.00 C ATOM 129 CD2 PHE A 8 -1.576 -1.971 4.117 1.00 0.00 C ATOM 130 CE1 PHE A 8 -0.880 0.089 2.420 1.00 0.00 C ATOM 131 CE2 PHE A 8 -1.406 -2.217 2.768 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.057 -1.185 1.918 1.00 0.00 C ATOM 0 H PHE A 8 -0.443 -2.136 7.736 1.00 0.00 H new ATOM 0 HA PHE A 8 0.465 0.213 6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.135 -1.262 6.545 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.203 0.460 6.226 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.910 1.328 4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.848 -2.781 4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.608 0.898 1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.546 -3.215 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.923 -1.375 0.863 1.00 0.00 H new ATOM 142 N GLU A 9 -0.208 1.986 7.839 1.00 0.00 N ATOM 143 CA GLU A 9 -0.378 2.989 8.886 1.00 0.00 C ATOM 144 C GLU A 9 -1.072 4.235 8.339 1.00 0.00 C ATOM 145 O GLU A 9 -0.611 4.841 7.369 1.00 0.00 O ATOM 146 CB GLU A 9 0.978 3.366 9.491 1.00 0.00 C ATOM 147 CG GLU A 9 0.885 3.886 10.918 1.00 0.00 C ATOM 148 CD GLU A 9 1.003 5.395 10.997 1.00 0.00 C ATOM 149 OE1 GLU A 9 -0.001 6.086 10.721 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.099 5.886 11.334 1.00 0.00 O ATOM 0 H GLU A 9 0.143 2.355 6.955 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.006 2.559 9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.630 2.493 9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.447 4.126 8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.065 3.576 11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.673 3.432 11.519 1.00 0.00 H new ATOM 157 N HIS A 10 -2.185 4.608 8.969 1.00 0.00 N ATOM 158 CA HIS A 10 -2.952 5.778 8.555 1.00 0.00 C ATOM 159 C HIS A 10 -3.504 6.517 9.768 1.00 0.00 C ATOM 160 O HIS A 10 -4.255 5.945 10.562 1.00 0.00 O ATOM 161 CB HIS A 10 -4.104 5.362 7.637 1.00 0.00 C ATOM 162 CG HIS A 10 -4.866 6.518 7.061 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.241 6.536 6.964 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.441 7.699 6.549 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.628 7.675 6.418 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.555 8.397 6.158 1.00 0.00 N ATOM 0 H HIS A 10 -2.575 4.113 9.771 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.284 6.446 8.011 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.706 4.758 6.821 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.792 4.728 8.197 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.863 5.786 7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.416 8.029 6.465 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.649 7.966 6.218 1.00 0.00 H new ATOM 175 N ASN A 11 -3.134 7.791 9.904 1.00 0.00 N ATOM 176 CA ASN A 11 -3.594 8.614 11.021 1.00 0.00 C ATOM 177 C ASN A 11 -3.218 7.973 12.364 1.00 0.00 C ATOM 178 O ASN A 11 -3.958 8.081 13.344 1.00 0.00 O ATOM 179 CB ASN A 11 -5.114 8.813 10.928 1.00 0.00 C ATOM 180 CG ASN A 11 -5.626 9.911 11.843 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.886 10.825 12.214 1.00 0.00 O ATOM 182 ND2 ASN A 11 -6.900 9.828 12.213 1.00 0.00 N ATOM 0 H ASN A 11 -2.516 8.275 9.253 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.103 9.586 10.964 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.381 9.052 9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.613 7.877 11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.300 10.538 12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -7.478 9.055 11.883 1.00 0.00 H new ATOM 189 N GLY A 12 -2.063 7.300 12.398 1.00 0.00 N ATOM 190 CA GLY A 12 -1.610 6.647 13.618 1.00 0.00 C ATOM 191 C GLY A 12 -2.075 5.200 13.729 1.00 0.00 C ATOM 192 O GLY A 12 -1.374 4.361 14.300 1.00 0.00 O ATOM 0 H GLY A 12 -1.435 7.197 11.601 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.521 6.676 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.974 7.207 14.479 1.00 0.00 H new ATOM 196 N GLU A 13 -3.257 4.908 13.184 1.00 0.00 N ATOM 197 CA GLU A 13 -3.818 3.557 13.225 1.00 0.00 C ATOM 198 C GLU A 13 -2.994 2.589 12.376 1.00 0.00 C ATOM 199 O GLU A 13 -2.587 2.917 11.258 1.00 0.00 O ATOM 200 CB GLU A 13 -5.271 3.576 12.740 1.00 0.00 C ATOM 201 CG GLU A 13 -5.963 2.222 12.807 1.00 0.00 C ATOM 202 CD GLU A 13 -6.866 2.090 14.018 1.00 0.00 C ATOM 203 OE1 GLU A 13 -6.357 1.729 15.101 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.080 2.348 13.883 1.00 0.00 O ATOM 0 H GLU A 13 -3.846 5.591 12.708 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.788 3.210 14.258 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.834 4.291 13.340 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.295 3.935 11.711 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.551 2.073 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.210 1.434 12.831 1.00 0.00 H new ATOM 211 N ARG A 14 -2.754 1.392 12.916 1.00 0.00 N ATOM 212 CA ARG A 14 -1.983 0.367 12.216 1.00 0.00 C ATOM 213 C ARG A 14 -2.858 -0.837 11.876 1.00 0.00 C ATOM 214 O ARG A 14 -3.724 -1.227 12.663 1.00 0.00 O ATOM 215 CB ARG A 14 -0.790 -0.082 13.068 1.00 0.00 C ATOM 216 CG ARG A 14 0.531 0.542 12.644 1.00 0.00 C ATOM 217 CD ARG A 14 1.696 -0.409 12.867 1.00 0.00 C ATOM 218 NE ARG A 14 2.940 0.307 13.154 1.00 0.00 N ATOM 219 CZ ARG A 14 3.657 0.961 12.234 1.00 0.00 C ATOM 220 NH1 ARG A 14 3.259 0.988 10.963 1.00 0.00 N ATOM 221 NH2 ARG A 14 4.773 1.588 12.587 1.00 0.00 N ATOM 0 H ARG A 14 -3.085 1.110 13.839 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.614 0.802 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.983 0.171 14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.704 -1.167 13.014 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.482 0.818 11.591 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.697 1.461 13.207 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.464 -1.079 13.695 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.831 -1.031 11.982 1.00 0.00 H new ATOM 0 HE ARG A 14 3.281 0.307 14.115 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.403 0.508 10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.811 1.489 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.082 1.570 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.321 2.087 11.886 1.00 0.00 H new ATOM 235 N ARG A 15 -2.624 -1.425 10.702 1.00 0.00 N ATOM 236 CA ARG A 15 -3.389 -2.588 10.257 1.00 0.00 C ATOM 237 C ARG A 15 -2.468 -3.673 9.694 1.00 0.00 C ATOM 238 O ARG A 15 -1.494 -3.375 8.998 1.00 0.00 O ATOM 239 CB ARG A 15 -4.418 -2.176 9.200 1.00 0.00 C ATOM 240 CG ARG A 15 -5.726 -1.670 9.787 1.00 0.00 C ATOM 241 CD ARG A 15 -6.921 -2.095 8.946 1.00 0.00 C ATOM 242 NE ARG A 15 -7.648 -0.946 8.402 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.433 -0.143 9.129 1.00 0.00 C ATOM 244 NH1 ARG A 15 -8.585 -0.351 10.436 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.063 0.872 8.547 1.00 0.00 N ATOM 0 H ARG A 15 -1.910 -1.114 10.043 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.910 -2.997 11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.987 -1.398 8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.625 -3.030 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.841 -2.051 10.802 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.698 -0.583 9.856 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.580 -2.729 8.127 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.597 -2.696 9.555 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.550 -0.745 7.407 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.101 -1.127 10.889 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.185 0.265 10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.948 1.038 7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.662 1.485 9.100 1.00 0.00 H new ATOM 259 N ILE A 16 -2.785 -4.932 10.002 1.00 0.00 N ATOM 260 CA ILE A 16 -1.993 -6.069 9.533 1.00 0.00 C ATOM 261 C ILE A 16 -2.798 -6.935 8.564 1.00 0.00 C ATOM 262 O ILE A 16 -3.823 -7.508 8.937 1.00 0.00 O ATOM 263 CB ILE A 16 -1.517 -6.948 10.714 1.00 0.00 C ATOM 264 CG1 ILE A 16 -0.909 -6.088 11.827 1.00 0.00 C ATOM 265 CG2 ILE A 16 -0.514 -7.991 10.235 1.00 0.00 C ATOM 266 CD1 ILE A 16 0.240 -5.212 11.370 1.00 0.00 C ATOM 0 H ILE A 16 -3.588 -5.190 10.576 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.123 -5.660 9.018 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.385 -7.465 11.122 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.689 -5.455 12.250 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.559 -6.741 12.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.191 -8.600 11.079 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.983 -8.629 9.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.350 -7.491 9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.616 -4.635 12.215 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.040 -5.838 10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.108 -4.532 10.592 1.00 0.00 H new ATOM 278 N ILE A 17 -2.326 -7.028 7.319 1.00 0.00 N ATOM 279 CA ILE A 17 -3.003 -7.828 6.298 1.00 0.00 C ATOM 280 C ILE A 17 -2.046 -8.841 5.663 1.00 0.00 C ATOM 281 O ILE A 17 -0.894 -8.517 5.366 1.00 0.00 O ATOM 282 CB ILE A 17 -3.609 -6.940 5.186 1.00 0.00 C ATOM 283 CG1 ILE A 17 -4.444 -5.807 5.796 1.00 0.00 C ATOM 284 CG2 ILE A 17 -4.460 -7.776 4.239 1.00 0.00 C ATOM 285 CD1 ILE A 17 -4.113 -4.444 5.231 1.00 0.00 C ATOM 0 H ILE A 17 -1.480 -6.560 6.995 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.809 -8.360 6.803 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.791 -6.498 4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.501 -6.014 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.289 -5.792 6.875 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.878 -7.135 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.842 -8.547 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.270 -8.246 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.741 -3.691 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.064 -4.216 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.295 -4.442 4.156 1.00 0.00 H new ATOM 297 N ALA A 18 -2.537 -10.064 5.455 1.00 0.00 N ATOM 298 CA ALA A 18 -1.733 -11.126 4.853 1.00 0.00 C ATOM 299 C ALA A 18 -2.232 -11.468 3.450 1.00 0.00 C ATOM 300 O ALA A 18 -3.435 -11.621 3.229 1.00 0.00 O ATOM 301 CB ALA A 18 -1.749 -12.365 5.738 1.00 0.00 C ATOM 0 H ALA A 18 -3.488 -10.343 5.695 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.708 -10.767 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.147 -13.148 5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.338 -12.118 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.774 -12.716 5.853 1.00 0.00 H new ATOM 307 N PHE A 19 -1.298 -11.584 2.504 1.00 0.00 N ATOM 308 CA PHE A 19 -1.640 -11.905 1.117 1.00 0.00 C ATOM 309 C PHE A 19 -0.869 -13.132 0.627 1.00 0.00 C ATOM 310 O PHE A 19 0.361 -13.152 0.648 1.00 0.00 O ATOM 311 CB PHE A 19 -1.344 -10.710 0.207 1.00 0.00 C ATOM 312 CG PHE A 19 -2.484 -9.737 0.095 1.00 0.00 C ATOM 313 CD1 PHE A 19 -2.643 -8.724 1.028 1.00 0.00 C ATOM 314 CD2 PHE A 19 -3.396 -9.834 -0.944 1.00 0.00 C ATOM 315 CE1 PHE A 19 -3.690 -7.827 0.926 1.00 0.00 C ATOM 316 CE2 PHE A 19 -4.444 -8.939 -1.051 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.591 -7.936 -0.115 1.00 0.00 C ATOM 0 H PHE A 19 -0.300 -11.461 2.673 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.706 -12.131 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.467 -10.186 0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.092 -11.076 -0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.941 -8.635 1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.287 -10.618 -1.679 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.803 -7.042 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.147 -9.025 -1.866 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.410 -7.237 -0.196 1.00 0.00 H new ATOM 327 N SER A 20 -1.605 -14.151 0.181 1.00 0.00 N ATOM 328 CA SER A 20 -0.997 -15.385 -0.322 1.00 0.00 C ATOM 329 C SER A 20 -0.666 -15.267 -1.810 1.00 0.00 C ATOM 330 O SER A 20 -1.235 -14.437 -2.522 1.00 0.00 O ATOM 331 CB SER A 20 -1.938 -16.574 -0.095 1.00 0.00 C ATOM 332 OG SER A 20 -2.736 -16.389 1.064 1.00 0.00 O ATOM 0 H SER A 20 -2.625 -14.147 0.158 1.00 0.00 H new ATOM 0 HA SER A 20 -0.070 -15.549 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.582 -16.702 -0.965 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.353 -17.488 0.006 1.00 0.00 H new ATOM 0 HG SER A 20 -3.327 -17.162 1.181 1.00 0.00 H new ATOM 338 N ARG A 21 0.261 -16.105 -2.271 1.00 0.00 N ATOM 339 CA ARG A 21 0.676 -16.105 -3.674 1.00 0.00 C ATOM 340 C ARG A 21 -0.118 -17.137 -4.480 1.00 0.00 C ATOM 341 O ARG A 21 -0.614 -18.118 -3.924 1.00 0.00 O ATOM 342 CB ARG A 21 2.177 -16.403 -3.778 1.00 0.00 C ATOM 343 CG ARG A 21 3.058 -15.165 -3.687 1.00 0.00 C ATOM 344 CD ARG A 21 2.873 -14.438 -2.362 1.00 0.00 C ATOM 345 NE ARG A 21 4.141 -13.965 -1.801 1.00 0.00 N ATOM 346 CZ ARG A 21 4.887 -12.995 -2.339 1.00 0.00 C ATOM 347 NH1 ARG A 21 4.501 -12.387 -3.460 1.00 0.00 N ATOM 348 NH2 ARG A 21 6.019 -12.629 -1.750 1.00 0.00 N ATOM 0 H ARG A 21 0.740 -16.795 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 21 0.475 -15.117 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.456 -17.095 -2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.373 -16.908 -4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.103 -15.453 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.822 -14.489 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.204 -13.590 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.390 -15.106 -1.649 1.00 0.00 H new ATOM 0 HE ARG A 21 4.477 -14.405 -0.944 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.630 -12.661 -3.915 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.077 -11.648 -3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.317 -13.088 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.590 -11.889 -2.158 1.00 0.00 H new ATOM 362 N PRO A 22 -0.250 -16.930 -5.809 1.00 0.00 N ATOM 363 CA PRO A 22 0.326 -15.772 -6.509 1.00 0.00 C ATOM 364 C PRO A 22 -0.474 -14.488 -6.285 1.00 0.00 C ATOM 365 O PRO A 22 -1.684 -14.453 -6.509 1.00 0.00 O ATOM 366 CB PRO A 22 0.265 -16.192 -7.979 1.00 0.00 C ATOM 367 CG PRO A 22 -0.901 -17.117 -8.060 1.00 0.00 C ATOM 368 CD PRO A 22 -0.980 -17.822 -6.731 1.00 0.00 C ATOM 0 HA PRO A 22 1.330 -15.538 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.132 -15.329 -8.632 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.186 -16.687 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.820 -16.566 -8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.773 -17.833 -8.872 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.014 -17.963 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.523 -18.810 -6.776 1.00 0.00 H new ATOM 376 N VAL A 23 0.215 -13.436 -5.839 1.00 0.00 N ATOM 377 CA VAL A 23 -0.426 -12.148 -5.582 1.00 0.00 C ATOM 378 C VAL A 23 -0.407 -11.257 -6.829 1.00 0.00 C ATOM 379 O VAL A 23 0.531 -11.309 -7.625 1.00 0.00 O ATOM 380 CB VAL A 23 0.252 -11.413 -4.402 1.00 0.00 C ATOM 381 CG1 VAL A 23 1.684 -11.025 -4.748 1.00 0.00 C ATOM 382 CG2 VAL A 23 -0.555 -10.188 -3.993 1.00 0.00 C ATOM 0 H VAL A 23 1.217 -13.452 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.464 -12.352 -5.318 1.00 0.00 H new ATOM 0 HB VAL A 23 0.285 -12.098 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.136 -10.510 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.259 -11.922 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.683 -10.365 -5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.059 -9.687 -3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.629 -9.503 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.555 -10.496 -3.687 1.00 0.00 H new ATOM 392 N LYS A 24 -1.453 -10.443 -6.988 1.00 0.00 N ATOM 393 CA LYS A 24 -1.564 -9.541 -8.136 1.00 0.00 C ATOM 394 C LYS A 24 -1.662 -8.082 -7.683 1.00 0.00 C ATOM 395 O LYS A 24 -2.282 -7.783 -6.662 1.00 0.00 O ATOM 396 CB LYS A 24 -2.792 -9.909 -8.978 1.00 0.00 C ATOM 397 CG LYS A 24 -2.498 -10.901 -10.093 1.00 0.00 C ATOM 398 CD LYS A 24 -3.705 -11.778 -10.396 1.00 0.00 C ATOM 399 CE LYS A 24 -4.369 -11.390 -11.710 1.00 0.00 C ATOM 400 NZ LYS A 24 -4.841 -12.580 -12.476 1.00 0.00 N ATOM 0 H LYS A 24 -2.235 -10.390 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.664 -9.652 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.557 -10.328 -8.324 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.208 -9.000 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.205 -10.361 -10.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.654 -11.529 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.394 -12.822 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.428 -11.695 -9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.214 -10.732 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.663 -10.825 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.286 -12.268 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.032 -13.196 -12.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.535 -13.106 -11.907 1.00 0.00 H new ATOM 414 N TYR A 25 -1.046 -7.182 -8.456 1.00 0.00 N ATOM 415 CA TYR A 25 -1.059 -5.746 -8.147 1.00 0.00 C ATOM 416 C TYR A 25 -2.491 -5.230 -7.989 1.00 0.00 C ATOM 417 O TYR A 25 -2.824 -4.610 -6.979 1.00 0.00 O ATOM 418 CB TYR A 25 -0.334 -4.962 -9.252 1.00 0.00 C ATOM 419 CG TYR A 25 -0.330 -3.457 -9.055 1.00 0.00 C ATOM 420 CD1 TYR A 25 -1.448 -2.689 -9.368 1.00 0.00 C ATOM 421 CD2 TYR A 25 0.795 -2.804 -8.564 1.00 0.00 C ATOM 422 CE1 TYR A 25 -1.443 -1.318 -9.196 1.00 0.00 C ATOM 423 CE2 TYR A 25 0.805 -1.434 -8.388 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.315 -0.695 -8.707 1.00 0.00 C ATOM 425 OH TYR A 25 -0.305 0.671 -8.534 1.00 0.00 O ATOM 0 H TYR A 25 -0.530 -7.422 -9.303 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.538 -5.597 -7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.697 -5.311 -9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.803 -5.189 -10.209 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.334 -3.173 -9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.676 -3.378 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.319 -0.737 -9.444 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.686 -0.943 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 25 0.506 0.934 -8.051 1.00 0.00 H new ATOM 435 N GLU A 26 -3.329 -5.491 -8.995 1.00 0.00 N ATOM 436 CA GLU A 26 -4.723 -5.054 -8.966 1.00 0.00 C ATOM 437 C GLU A 26 -5.473 -5.677 -7.786 1.00 0.00 C ATOM 438 O GLU A 26 -6.348 -5.042 -7.197 1.00 0.00 O ATOM 439 CB GLU A 26 -5.429 -5.415 -10.278 1.00 0.00 C ATOM 440 CG GLU A 26 -6.539 -4.447 -10.656 1.00 0.00 C ATOM 441 CD GLU A 26 -7.823 -5.152 -11.057 1.00 0.00 C ATOM 442 OE1 GLU A 26 -8.458 -5.777 -10.180 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.193 -5.074 -12.248 1.00 0.00 O ATOM 0 H GLU A 26 -3.065 -6.002 -9.837 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.727 -3.971 -8.845 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.693 -5.443 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.846 -6.418 -10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.741 -3.786 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.202 -3.819 -11.481 1.00 0.00 H new ATOM 450 N ASP A 27 -5.123 -6.918 -7.446 1.00 0.00 N ATOM 451 CA ASP A 27 -5.768 -7.617 -6.336 1.00 0.00 C ATOM 452 C ASP A 27 -5.407 -6.976 -4.997 1.00 0.00 C ATOM 453 O ASP A 27 -6.273 -6.788 -4.141 1.00 0.00 O ATOM 454 CB ASP A 27 -5.378 -9.101 -6.332 1.00 0.00 C ATOM 455 CG ASP A 27 -6.585 -10.024 -6.327 1.00 0.00 C ATOM 456 OD1 ASP A 27 -7.579 -9.711 -7.017 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.534 -11.062 -5.634 1.00 0.00 O ATOM 0 H ASP A 27 -4.399 -7.457 -7.922 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.846 -7.537 -6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.766 -9.314 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.763 -9.309 -5.456 1.00 0.00 H new ATOM 462 N VAL A 28 -4.129 -6.640 -4.819 1.00 0.00 N ATOM 463 CA VAL A 28 -3.665 -6.021 -3.579 1.00 0.00 C ATOM 464 C VAL A 28 -4.323 -4.659 -3.363 1.00 0.00 C ATOM 465 O VAL A 28 -4.815 -4.368 -2.273 1.00 0.00 O ATOM 466 CB VAL A 28 -2.129 -5.847 -3.556 1.00 0.00 C ATOM 467 CG1 VAL A 28 -1.674 -5.293 -2.212 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.430 -7.166 -3.859 1.00 0.00 C ATOM 0 H VAL A 28 -3.399 -6.786 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.951 -6.697 -2.773 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.855 -5.133 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.590 -5.177 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.142 -4.324 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.964 -5.981 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.350 -7.019 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.710 -7.907 -3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.728 -7.517 -4.847 1.00 0.00 H new ATOM 478 N GLU A 29 -4.328 -3.828 -4.409 1.00 0.00 N ATOM 479 CA GLU A 29 -4.926 -2.496 -4.324 1.00 0.00 C ATOM 480 C GLU A 29 -6.433 -2.579 -4.085 1.00 0.00 C ATOM 481 O GLU A 29 -6.993 -1.774 -3.341 1.00 0.00 O ATOM 482 CB GLU A 29 -4.632 -1.685 -5.595 1.00 0.00 C ATOM 483 CG GLU A 29 -5.199 -2.298 -6.868 1.00 0.00 C ATOM 484 CD GLU A 29 -5.237 -1.321 -8.028 1.00 0.00 C ATOM 485 OE1 GLU A 29 -5.867 -0.251 -7.887 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.639 -1.626 -9.082 1.00 0.00 O ATOM 0 H GLU A 29 -3.927 -4.054 -5.319 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.475 -1.986 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.040 -0.681 -5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.553 -1.580 -5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.598 -3.163 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.208 -2.661 -6.672 1.00 0.00 H new ATOM 493 N HIS A 30 -7.087 -3.555 -4.715 1.00 0.00 N ATOM 494 CA HIS A 30 -8.529 -3.737 -4.563 1.00 0.00 C ATOM 495 C HIS A 30 -8.904 -3.919 -3.090 1.00 0.00 C ATOM 496 O HIS A 30 -9.815 -3.259 -2.591 1.00 0.00 O ATOM 497 CB HIS A 30 -9.006 -4.938 -5.383 1.00 0.00 C ATOM 498 CG HIS A 30 -10.241 -4.668 -6.187 1.00 0.00 C ATOM 499 ND1 HIS A 30 -10.395 -5.087 -7.494 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.389 -4.026 -5.863 1.00 0.00 C ATOM 501 CE1 HIS A 30 -11.583 -4.715 -7.936 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.205 -4.070 -6.966 1.00 0.00 N ATOM 0 H HIS A 30 -6.641 -4.231 -5.335 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.024 -2.840 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.206 -5.248 -6.056 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.197 -5.773 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -11.619 -3.565 -4.914 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -11.978 -4.906 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.141 -3.669 -7.027 1.00 0.00 H new ATOM 511 N LYS A 31 -8.193 -4.812 -2.401 1.00 0.00 N ATOM 512 CA LYS A 31 -8.454 -5.072 -0.989 1.00 0.00 C ATOM 513 C LYS A 31 -8.090 -3.864 -0.126 1.00 0.00 C ATOM 514 O LYS A 31 -8.883 -3.438 0.711 1.00 0.00 O ATOM 515 CB LYS A 31 -7.679 -6.306 -0.514 1.00 0.00 C ATOM 516 CG LYS A 31 -8.542 -7.313 0.230 1.00 0.00 C ATOM 517 CD LYS A 31 -7.733 -8.114 1.238 1.00 0.00 C ATOM 518 CE LYS A 31 -8.582 -8.529 2.433 1.00 0.00 C ATOM 519 NZ LYS A 31 -9.116 -9.915 2.294 1.00 0.00 N ATOM 0 H LYS A 31 -7.434 -5.365 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.522 -5.261 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.225 -6.795 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.865 -5.986 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.349 -6.791 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.007 -7.992 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.324 -9.002 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.886 -7.520 1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.984 -8.462 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.412 -7.832 2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.687 -10.153 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.709 -9.975 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.325 -10.585 2.213 1.00 0.00 H new ATOM 533 N VAL A 32 -6.890 -3.320 -0.333 1.00 0.00 N ATOM 534 CA VAL A 32 -6.436 -2.162 0.442 1.00 0.00 C ATOM 535 C VAL A 32 -7.379 -0.970 0.267 1.00 0.00 C ATOM 536 O VAL A 32 -7.689 -0.275 1.235 1.00 0.00 O ATOM 537 CB VAL A 32 -5.004 -1.732 0.057 1.00 0.00 C ATOM 538 CG1 VAL A 32 -4.528 -0.593 0.952 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.046 -2.912 0.134 1.00 0.00 C ATOM 0 H VAL A 32 -6.220 -3.658 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.438 -2.475 1.486 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.020 -1.376 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.517 -0.304 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.196 0.261 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.531 -0.921 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.043 -2.585 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.033 -3.305 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.374 -3.693 -0.552 1.00 0.00 H new ATOM 549 N THR A 33 -7.838 -0.739 -0.964 1.00 0.00 N ATOM 550 CA THR A 33 -8.747 0.368 -1.244 1.00 0.00 C ATOM 551 C THR A 33 -10.090 0.170 -0.534 1.00 0.00 C ATOM 552 O THR A 33 -10.648 1.116 0.012 1.00 0.00 O ATOM 553 CB THR A 33 -8.957 0.527 -2.757 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.729 0.818 -3.404 1.00 0.00 O ATOM 555 CG2 THR A 33 -9.930 1.625 -3.123 1.00 0.00 C ATOM 0 H THR A 33 -7.595 -1.303 -1.779 1.00 0.00 H new ATOM 0 HA THR A 33 -8.292 1.281 -0.860 1.00 0.00 H new ATOM 0 HB THR A 33 -9.370 -0.426 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.215 -0.009 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.028 1.678 -4.207 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.903 1.411 -2.681 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.562 2.579 -2.745 1.00 0.00 H new ATOM 563 N THR A 34 -10.605 -1.061 -0.538 1.00 0.00 N ATOM 564 CA THR A 34 -11.881 -1.350 0.122 1.00 0.00 C ATOM 565 C THR A 34 -11.743 -1.337 1.647 1.00 0.00 C ATOM 566 O THR A 34 -12.595 -0.787 2.345 1.00 0.00 O ATOM 567 CB THR A 34 -12.443 -2.700 -0.344 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.554 -2.741 -1.758 1.00 0.00 O ATOM 569 CG2 THR A 34 -13.811 -3.012 0.229 1.00 0.00 C ATOM 0 H THR A 34 -10.165 -1.865 -0.985 1.00 0.00 H new ATOM 0 HA THR A 34 -12.577 -0.561 -0.161 1.00 0.00 H new ATOM 0 HB THR A 34 -11.734 -3.444 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.672 -2.911 -2.151 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.148 -3.980 -0.141 1.00 0.00 H new ATOM 0 HG22 THR A 34 -13.752 -3.040 1.317 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.518 -2.240 -0.076 1.00 0.00 H new ATOM 577 N VAL A 35 -10.676 -1.949 2.160 1.00 0.00 N ATOM 578 CA VAL A 35 -10.447 -2.011 3.605 1.00 0.00 C ATOM 579 C VAL A 35 -10.169 -0.624 4.191 1.00 0.00 C ATOM 580 O VAL A 35 -10.770 -0.237 5.195 1.00 0.00 O ATOM 581 CB VAL A 35 -9.278 -2.957 3.964 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.105 -3.054 5.474 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.497 -4.340 3.363 1.00 0.00 C ATOM 0 H VAL A 35 -9.958 -2.408 1.599 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.364 -2.406 4.042 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.365 -2.539 3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.277 -3.725 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.894 -2.065 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.020 -3.442 5.921 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.662 -4.989 3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.423 -4.763 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.563 -4.259 2.278 1.00 0.00 H new ATOM 593 N PHE A 36 -9.246 0.113 3.573 1.00 0.00 N ATOM 594 CA PHE A 36 -8.880 1.448 4.053 1.00 0.00 C ATOM 595 C PHE A 36 -9.757 2.554 3.451 1.00 0.00 C ATOM 596 O PHE A 36 -9.697 3.699 3.903 1.00 0.00 O ATOM 597 CB PHE A 36 -7.406 1.734 3.748 1.00 0.00 C ATOM 598 CG PHE A 36 -6.458 0.807 4.458 1.00 0.00 C ATOM 599 CD1 PHE A 36 -6.343 -0.519 4.071 1.00 0.00 C ATOM 600 CD2 PHE A 36 -5.686 1.263 5.513 1.00 0.00 C ATOM 601 CE1 PHE A 36 -5.477 -1.371 4.723 1.00 0.00 C ATOM 602 CE2 PHE A 36 -4.819 0.413 6.170 1.00 0.00 C ATOM 603 CZ PHE A 36 -4.716 -0.906 5.774 1.00 0.00 C ATOM 0 H PHE A 36 -8.739 -0.190 2.741 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.045 1.452 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.243 1.655 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.177 2.762 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.938 -0.889 3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.763 2.294 5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.395 -2.402 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.222 0.779 6.992 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.039 -1.573 6.288 1.00 0.00 H new ATOM 613 N GLY A 37 -10.563 2.223 2.436 1.00 0.00 N ATOM 614 CA GLY A 37 -11.416 3.223 1.818 1.00 0.00 C ATOM 615 C GLY A 37 -10.748 3.912 0.640 1.00 0.00 C ATOM 616 O GLY A 37 -9.626 3.567 0.263 1.00 0.00 O ATOM 0 H GLY A 37 -10.637 1.287 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.339 2.751 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.692 3.970 2.562 1.00 0.00 H new ATOM 620 N GLN A 38 -11.442 4.889 0.058 1.00 0.00 N ATOM 621 CA GLN A 38 -10.917 5.638 -1.086 1.00 0.00 C ATOM 622 C GLN A 38 -11.369 7.097 -1.034 1.00 0.00 C ATOM 623 O GLN A 38 -12.383 7.416 -0.412 1.00 0.00 O ATOM 624 CB GLN A 38 -11.365 4.997 -2.406 1.00 0.00 C ATOM 625 CG GLN A 38 -12.835 4.602 -2.439 1.00 0.00 C ATOM 626 CD GLN A 38 -13.455 4.783 -3.812 1.00 0.00 C ATOM 627 OE1 GLN A 38 -13.234 3.978 -4.716 1.00 0.00 O ATOM 628 NE2 GLN A 38 -14.235 5.847 -3.979 1.00 0.00 N ATOM 0 H GLN A 38 -12.371 5.182 0.360 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.829 5.609 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -11.169 5.694 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.758 4.111 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.935 3.561 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.385 5.201 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.393 6.490 -3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.676 6.020 -4.883 1.00 0.00 H new ATOM 637 N PRO A 39 -10.620 8.012 -1.688 1.00 0.00 N ATOM 638 CA PRO A 39 -9.410 7.688 -2.440 1.00 0.00 C ATOM 639 C PRO A 39 -8.132 7.829 -1.605 1.00 0.00 C ATOM 640 O PRO A 39 -7.897 8.866 -0.980 1.00 0.00 O ATOM 641 CB PRO A 39 -9.446 8.738 -3.549 1.00 0.00 C ATOM 642 CG PRO A 39 -10.094 9.938 -2.928 1.00 0.00 C ATOM 643 CD PRO A 39 -10.908 9.453 -1.746 1.00 0.00 C ATOM 0 HA PRO A 39 -9.391 6.654 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.442 8.971 -3.904 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.014 8.384 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.341 10.657 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.732 10.447 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.615 9.957 -0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.972 9.643 -1.888 1.00 0.00 H new ATOM 651 N LEU A 40 -7.309 6.777 -1.601 1.00 0.00 N ATOM 652 CA LEU A 40 -6.055 6.781 -0.849 1.00 0.00 C ATOM 653 C LEU A 40 -4.907 6.228 -1.695 1.00 0.00 C ATOM 654 O LEU A 40 -5.082 5.257 -2.435 1.00 0.00 O ATOM 655 CB LEU A 40 -6.205 5.958 0.434 1.00 0.00 C ATOM 656 CG LEU A 40 -7.128 6.569 1.493 1.00 0.00 C ATOM 657 CD1 LEU A 40 -8.585 6.276 1.173 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.772 6.046 2.874 1.00 0.00 C ATOM 0 H LEU A 40 -7.490 5.912 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.820 7.813 -0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.583 4.970 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.218 5.815 0.873 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.988 7.650 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.222 6.719 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.837 6.700 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.743 5.198 1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.438 6.490 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.882 4.962 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.741 6.310 3.108 1.00 0.00 H new ATOM 670 N ASP A 41 -3.734 6.854 -1.579 1.00 0.00 N ATOM 671 CA ASP A 41 -2.552 6.428 -2.335 1.00 0.00 C ATOM 672 C ASP A 41 -1.585 5.639 -1.449 1.00 0.00 C ATOM 673 O ASP A 41 -1.369 5.991 -0.288 1.00 0.00 O ATOM 674 CB ASP A 41 -1.839 7.645 -2.935 1.00 0.00 C ATOM 675 CG ASP A 41 -2.422 8.063 -4.273 1.00 0.00 C ATOM 676 OD1 ASP A 41 -3.656 8.248 -4.357 1.00 0.00 O ATOM 677 OD2 ASP A 41 -1.643 8.208 -5.240 1.00 0.00 O ATOM 0 H ASP A 41 -3.576 7.657 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.886 5.775 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.905 8.480 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.781 7.416 -3.060 1.00 0.00 H new ATOM 682 N LEU A 42 -1.010 4.572 -2.007 1.00 0.00 N ATOM 683 CA LEU A 42 -0.067 3.725 -1.270 1.00 0.00 C ATOM 684 C LEU A 42 1.374 4.206 -1.459 1.00 0.00 C ATOM 685 O LEU A 42 1.963 4.018 -2.526 1.00 0.00 O ATOM 686 CB LEU A 42 -0.188 2.264 -1.724 1.00 0.00 C ATOM 687 CG LEU A 42 -1.619 1.736 -1.874 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.745 0.881 -3.127 1.00 0.00 C ATOM 689 CD2 LEU A 42 -2.027 0.943 -0.642 1.00 0.00 C ATOM 0 H LEU A 42 -1.180 4.273 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.319 3.794 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.323 2.156 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.340 1.634 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.291 2.588 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.768 0.515 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.496 1.480 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.061 0.035 -3.060 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.046 0.576 -0.766 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.350 0.098 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.978 1.586 0.237 1.00 0.00 H new ATOM 701 N HIS A 43 1.937 4.821 -0.416 1.00 0.00 N ATOM 702 CA HIS A 43 3.310 5.324 -0.472 1.00 0.00 C ATOM 703 C HIS A 43 4.275 4.382 0.248 1.00 0.00 C ATOM 704 O HIS A 43 4.148 4.147 1.451 1.00 0.00 O ATOM 705 CB HIS A 43 3.395 6.724 0.141 1.00 0.00 C ATOM 706 CG HIS A 43 4.365 7.625 -0.563 1.00 0.00 C ATOM 707 ND1 HIS A 43 4.054 8.909 -0.959 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.648 7.415 -0.948 1.00 0.00 C ATOM 709 CE1 HIS A 43 5.102 9.449 -1.557 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.082 8.563 -1.563 1.00 0.00 N ATOM 0 H HIS A 43 1.465 4.982 0.474 1.00 0.00 H new ATOM 0 HA HIS A 43 3.600 5.376 -1.521 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.406 7.182 0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.686 6.637 1.188 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.156 9.370 -0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.222 6.512 -0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.149 10.446 -1.971 1.00 0.00 H new ATOM 719 N TYR A 44 5.240 3.852 -0.501 1.00 0.00 N ATOM 720 CA TYR A 44 6.237 2.942 0.052 1.00 0.00 C ATOM 721 C TYR A 44 7.443 3.716 0.585 1.00 0.00 C ATOM 722 O TYR A 44 8.128 4.410 -0.168 1.00 0.00 O ATOM 723 CB TYR A 44 6.690 1.947 -1.022 1.00 0.00 C ATOM 724 CG TYR A 44 6.999 0.568 -0.489 1.00 0.00 C ATOM 725 CD1 TYR A 44 5.990 -0.247 0.001 1.00 0.00 C ATOM 726 CD2 TYR A 44 8.301 0.083 -0.479 1.00 0.00 C ATOM 727 CE1 TYR A 44 6.266 -1.511 0.487 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.586 -1.179 0.006 1.00 0.00 C ATOM 729 CZ TYR A 44 7.568 -1.971 0.488 1.00 0.00 C ATOM 730 OH TYR A 44 7.846 -3.228 0.971 1.00 0.00 O ATOM 0 H TYR A 44 5.351 4.039 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 44 5.783 2.398 0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.911 1.866 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.577 2.341 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.971 0.112 0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 44 9.102 0.702 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.469 -2.135 0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.603 -1.543 0.007 1.00 0.00 H new ATOM 0 HH TYR A 44 8.679 -3.203 1.487 1.00 0.00 H new ATOM 740 N MET A 45 7.697 3.595 1.886 1.00 0.00 N ATOM 741 CA MET A 45 8.822 4.283 2.513 1.00 0.00 C ATOM 742 C MET A 45 9.642 3.316 3.363 1.00 0.00 C ATOM 743 O MET A 45 9.149 2.771 4.352 1.00 0.00 O ATOM 744 CB MET A 45 8.323 5.447 3.376 1.00 0.00 C ATOM 745 CG MET A 45 7.740 6.598 2.571 1.00 0.00 C ATOM 746 SD MET A 45 8.463 8.190 3.009 1.00 0.00 S ATOM 747 CE MET A 45 7.253 8.810 4.176 1.00 0.00 C ATOM 0 H MET A 45 7.140 3.028 2.525 1.00 0.00 H new ATOM 0 HA MET A 45 9.461 4.678 1.723 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.565 5.077 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.150 5.820 3.981 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.900 6.411 1.509 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.662 6.637 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.690 9.623 4.756 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.381 9.178 3.635 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.951 8.007 4.848 1.00 0.00 H new ATOM 757 N ASN A 46 10.900 3.107 2.971 1.00 0.00 N ATOM 758 CA ASN A 46 11.790 2.204 3.697 1.00 0.00 C ATOM 759 C ASN A 46 12.384 2.897 4.922 1.00 0.00 C ATOM 760 O ASN A 46 12.336 2.366 6.033 1.00 0.00 O ATOM 761 CB ASN A 46 12.910 1.707 2.778 1.00 0.00 C ATOM 762 CG ASN A 46 12.962 0.193 2.691 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.950 -0.427 3.083 1.00 0.00 O ATOM 764 ND2 ASN A 46 11.895 -0.411 2.177 1.00 0.00 N ATOM 0 H ASN A 46 11.324 3.551 2.156 1.00 0.00 H new ATOM 0 HA ASN A 46 11.205 1.349 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.767 2.120 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.867 2.080 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.874 -1.428 2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.097 0.142 1.864 1.00 0.00 H new ATOM 771 N ASN A 47 12.938 4.092 4.706 1.00 0.00 N ATOM 772 CA ASN A 47 13.538 4.878 5.782 1.00 0.00 C ATOM 773 C ASN A 47 13.854 6.294 5.302 1.00 0.00 C ATOM 774 O ASN A 47 13.291 7.269 5.803 1.00 0.00 O ATOM 775 CB ASN A 47 14.812 4.201 6.303 1.00 0.00 C ATOM 776 CG ASN A 47 14.840 4.113 7.816 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.562 4.857 8.480 1.00 0.00 O ATOM 778 ND2 ASN A 47 14.050 3.202 8.371 1.00 0.00 N ATOM 0 H ASN A 47 12.983 4.537 3.789 1.00 0.00 H new ATOM 0 HA ASN A 47 12.818 4.938 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 47 14.886 3.198 5.882 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.683 4.757 5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.025 3.098 9.385 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.468 2.606 7.783 1.00 0.00 H new ATOM 785 N GLU A 48 14.760 6.394 4.329 1.00 0.00 N ATOM 786 CA GLU A 48 15.162 7.686 3.774 1.00 0.00 C ATOM 787 C GLU A 48 14.642 7.876 2.343 1.00 0.00 C ATOM 788 O GLU A 48 14.493 9.009 1.882 1.00 0.00 O ATOM 789 CB GLU A 48 16.690 7.816 3.788 1.00 0.00 C ATOM 790 CG GLU A 48 17.325 7.450 5.126 1.00 0.00 C ATOM 791 CD GLU A 48 17.952 6.064 5.131 1.00 0.00 C ATOM 792 OE1 GLU A 48 17.415 5.157 4.456 1.00 0.00 O ATOM 793 OE2 GLU A 48 18.981 5.884 5.817 1.00 0.00 O ATOM 0 H GLU A 48 15.230 5.593 3.908 1.00 0.00 H new ATOM 0 HA GLU A 48 14.722 8.462 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.107 7.176 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.961 8.841 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.088 8.188 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.567 7.502 5.907 1.00 0.00 H new ATOM 800 N LEU A 49 14.374 6.770 1.640 1.00 0.00 N ATOM 801 CA LEU A 49 13.884 6.839 0.265 1.00 0.00 C ATOM 802 C LEU A 49 12.385 6.556 0.195 1.00 0.00 C ATOM 803 O LEU A 49 11.880 5.656 0.871 1.00 0.00 O ATOM 804 CB LEU A 49 14.632 5.841 -0.622 1.00 0.00 C ATOM 805 CG LEU A 49 16.120 6.134 -0.834 1.00 0.00 C ATOM 806 CD1 LEU A 49 16.977 5.105 -0.107 1.00 0.00 C ATOM 807 CD2 LEU A 49 16.452 6.153 -2.319 1.00 0.00 C ATOM 0 H LEU A 49 14.488 5.823 2.001 1.00 0.00 H new ATOM 0 HA LEU A 49 14.064 7.852 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.534 4.848 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.143 5.810 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 49 16.340 7.118 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.031 5.330 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.759 5.139 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.755 4.110 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.513 6.363 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.216 5.183 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.865 6.927 -2.813 1.00 0.00 H new ATOM 819 N SER A 50 11.683 7.328 -0.635 1.00 0.00 N ATOM 820 CA SER A 50 10.243 7.161 -0.808 1.00 0.00 C ATOM 821 C SER A 50 9.915 6.696 -2.228 1.00 0.00 C ATOM 822 O SER A 50 10.258 7.364 -3.206 1.00 0.00 O ATOM 823 CB SER A 50 9.507 8.468 -0.493 1.00 0.00 C ATOM 824 OG SER A 50 9.797 9.472 -1.450 1.00 0.00 O ATOM 0 H SER A 50 12.090 8.075 -1.198 1.00 0.00 H new ATOM 0 HA SER A 50 9.906 6.395 -0.110 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.433 8.285 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.792 8.817 0.500 1.00 0.00 H new ATOM 0 HG SER A 50 9.956 9.056 -2.323 1.00 0.00 H new ATOM 830 N ILE A 51 9.255 5.543 -2.328 1.00 0.00 N ATOM 831 CA ILE A 51 8.875 4.970 -3.618 1.00 0.00 C ATOM 832 C ILE A 51 7.368 4.713 -3.673 1.00 0.00 C ATOM 833 O ILE A 51 6.793 4.173 -2.731 1.00 0.00 O ATOM 834 CB ILE A 51 9.623 3.641 -3.888 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.119 3.787 -3.583 1.00 0.00 C ATOM 836 CG2 ILE A 51 9.412 3.191 -5.327 1.00 0.00 C ATOM 837 CD1 ILE A 51 11.491 3.392 -2.169 1.00 0.00 C ATOM 0 H ILE A 51 8.971 4.984 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 51 9.151 5.694 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 51 9.213 2.879 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.686 3.174 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.416 4.822 -3.752 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.945 2.256 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.348 3.041 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.792 3.954 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.564 3.521 -2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.952 4.022 -1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.225 2.348 -2.001 1.00 0.00 H new ATOM 849 N LEU A 52 6.733 5.100 -4.779 1.00 0.00 N ATOM 850 CA LEU A 52 5.294 4.901 -4.943 1.00 0.00 C ATOM 851 C LEU A 52 5.013 3.657 -5.786 1.00 0.00 C ATOM 852 O LEU A 52 5.512 3.535 -6.907 1.00 0.00 O ATOM 853 CB LEU A 52 4.654 6.134 -5.590 1.00 0.00 C ATOM 854 CG LEU A 52 3.121 6.150 -5.592 1.00 0.00 C ATOM 855 CD1 LEU A 52 2.581 6.535 -4.221 1.00 0.00 C ATOM 856 CD2 LEU A 52 2.596 7.102 -6.657 1.00 0.00 C ATOM 0 H LEU A 52 7.190 5.551 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 52 4.855 4.755 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.010 7.023 -5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.003 6.206 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 52 2.773 5.144 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.491 6.540 -4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.923 5.813 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.942 7.528 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.506 7.099 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.959 8.110 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.947 6.780 -7.638 1.00 0.00 H new ATOM 868 N LEU A 53 4.215 2.737 -5.241 1.00 0.00 N ATOM 869 CA LEU A 53 3.870 1.500 -5.945 1.00 0.00 C ATOM 870 C LEU A 53 3.048 1.797 -7.199 1.00 0.00 C ATOM 871 O LEU A 53 1.855 2.091 -7.114 1.00 0.00 O ATOM 872 CB LEU A 53 3.090 0.548 -5.026 1.00 0.00 C ATOM 873 CG LEU A 53 3.731 0.283 -3.659 1.00 0.00 C ATOM 874 CD1 LEU A 53 2.671 0.279 -2.566 1.00 0.00 C ATOM 875 CD2 LEU A 53 4.494 -1.035 -3.673 1.00 0.00 C ATOM 0 H LEU A 53 3.796 2.825 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 53 4.801 1.018 -6.242 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.093 0.959 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.964 -0.405 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 53 4.438 1.085 -3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.143 0.089 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.171 1.247 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.939 -0.502 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.942 -1.206 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.808 -1.850 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.278 -0.993 -4.429 1.00 0.00 H new ATOM 887 N LYS A 54 3.698 1.721 -8.360 1.00 0.00 N ATOM 888 CA LYS A 54 3.032 1.986 -9.636 1.00 0.00 C ATOM 889 C LYS A 54 2.712 0.690 -10.388 1.00 0.00 C ATOM 890 O LYS A 54 1.721 0.621 -11.119 1.00 0.00 O ATOM 891 CB LYS A 54 3.902 2.893 -10.512 1.00 0.00 C ATOM 892 CG LYS A 54 3.597 4.376 -10.354 1.00 0.00 C ATOM 893 CD LYS A 54 3.991 5.162 -11.595 1.00 0.00 C ATOM 894 CE LYS A 54 5.291 5.931 -11.392 1.00 0.00 C ATOM 895 NZ LYS A 54 5.136 7.053 -10.423 1.00 0.00 N ATOM 0 H LYS A 54 4.685 1.478 -8.444 1.00 0.00 H new ATOM 0 HA LYS A 54 2.090 2.489 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.950 2.719 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.766 2.613 -11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.533 4.511 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.132 4.768 -9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.101 4.479 -12.437 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.193 5.859 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.063 5.249 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.632 6.325 -12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.915 7.731 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.229 7.533 -10.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.156 6.679 -9.453 1.00 0.00 H new ATOM 909 N ASN A 55 3.557 -0.330 -10.216 1.00 0.00 N ATOM 910 CA ASN A 55 3.360 -1.612 -10.893 1.00 0.00 C ATOM 911 C ASN A 55 3.871 -2.779 -10.043 1.00 0.00 C ATOM 912 O ASN A 55 4.481 -2.574 -8.992 1.00 0.00 O ATOM 913 CB ASN A 55 4.071 -1.601 -12.251 1.00 0.00 C ATOM 914 CG ASN A 55 3.359 -2.455 -13.284 1.00 0.00 C ATOM 915 OD1 ASN A 55 3.952 -3.361 -13.867 1.00 0.00 O ATOM 916 ND2 ASN A 55 2.082 -2.171 -13.508 1.00 0.00 N ATOM 0 H ASN A 55 4.381 -0.292 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 55 2.290 -1.751 -11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.138 -0.576 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.092 -1.962 -12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.550 -2.714 -14.188 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.632 -1.410 -13.000 1.00 0.00 H new ATOM 923 N GLN A 56 3.622 -4.007 -10.516 1.00 0.00 N ATOM 924 CA GLN A 56 4.063 -5.212 -9.809 1.00 0.00 C ATOM 925 C GLN A 56 5.575 -5.200 -9.590 1.00 0.00 C ATOM 926 O GLN A 56 6.065 -5.765 -8.614 1.00 0.00 O ATOM 927 CB GLN A 56 3.661 -6.476 -10.579 1.00 0.00 C ATOM 928 CG GLN A 56 2.391 -7.129 -10.056 1.00 0.00 C ATOM 929 CD GLN A 56 2.548 -8.621 -9.815 1.00 0.00 C ATOM 930 OE1 GLN A 56 2.829 -9.384 -10.739 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.364 -9.043 -8.567 1.00 0.00 N ATOM 0 H GLN A 56 3.118 -4.190 -11.384 1.00 0.00 H new ATOM 0 HA GLN A 56 3.570 -5.219 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.523 -6.223 -11.630 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.477 -7.197 -10.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.097 -6.645 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.584 -6.965 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.132 -8.375 -7.832 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.455 -10.034 -8.345 1.00 0.00 H new ATOM 940 N ASP A 57 6.308 -4.553 -10.502 1.00 0.00 N ATOM 941 CA ASP A 57 7.764 -4.467 -10.399 1.00 0.00 C ATOM 942 C ASP A 57 8.186 -3.929 -9.034 1.00 0.00 C ATOM 943 O ASP A 57 9.136 -4.430 -8.429 1.00 0.00 O ATOM 944 CB ASP A 57 8.329 -3.569 -11.504 1.00 0.00 C ATOM 945 CG ASP A 57 9.630 -4.102 -12.069 1.00 0.00 C ATOM 946 OD1 ASP A 57 10.658 -4.038 -11.361 1.00 0.00 O ATOM 947 OD2 ASP A 57 9.621 -4.588 -13.220 1.00 0.00 O ATOM 0 H ASP A 57 5.916 -4.083 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 57 8.165 -5.474 -10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.597 -3.479 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.491 -2.567 -11.107 1.00 0.00 H new ATOM 952 N ASP A 58 7.472 -2.912 -8.545 1.00 0.00 N ATOM 953 CA ASP A 58 7.785 -2.322 -7.243 1.00 0.00 C ATOM 954 C ASP A 58 7.475 -3.304 -6.115 1.00 0.00 C ATOM 955 O ASP A 58 8.244 -3.423 -5.160 1.00 0.00 O ATOM 956 CB ASP A 58 7.007 -1.020 -7.032 1.00 0.00 C ATOM 957 CG ASP A 58 7.633 -0.134 -5.967 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.879 -0.078 -5.892 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.875 0.506 -5.208 1.00 0.00 O ATOM 0 H ASP A 58 6.681 -2.484 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 58 8.851 -2.096 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.959 -0.473 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.981 -1.255 -6.748 1.00 0.00 H new ATOM 964 N LEU A 59 6.353 -4.014 -6.241 1.00 0.00 N ATOM 965 CA LEU A 59 5.947 -4.995 -5.238 1.00 0.00 C ATOM 966 C LEU A 59 6.968 -6.133 -5.156 1.00 0.00 C ATOM 967 O LEU A 59 7.295 -6.603 -4.066 1.00 0.00 O ATOM 968 CB LEU A 59 4.558 -5.562 -5.565 1.00 0.00 C ATOM 969 CG LEU A 59 3.417 -4.536 -5.581 1.00 0.00 C ATOM 970 CD1 LEU A 59 2.202 -5.101 -6.305 1.00 0.00 C ATOM 971 CD2 LEU A 59 3.048 -4.122 -4.162 1.00 0.00 C ATOM 0 H LEU A 59 5.710 -3.927 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 59 5.901 -4.492 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.602 -6.047 -6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.319 -6.335 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 59 3.759 -3.651 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.402 -4.360 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.472 -5.346 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.861 -6.002 -5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.237 -3.394 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.727 -4.998 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.916 -3.677 -3.676 1.00 0.00 H new ATOM 983 N ASP A 60 7.470 -6.563 -6.317 1.00 0.00 N ATOM 984 CA ASP A 60 8.460 -7.639 -6.380 1.00 0.00 C ATOM 985 C ASP A 60 9.789 -7.203 -5.763 1.00 0.00 C ATOM 986 O ASP A 60 10.461 -7.995 -5.101 1.00 0.00 O ATOM 987 CB ASP A 60 8.683 -8.082 -7.830 1.00 0.00 C ATOM 988 CG ASP A 60 8.880 -9.582 -7.953 1.00 0.00 C ATOM 989 OD1 ASP A 60 9.832 -10.110 -7.342 1.00 0.00 O ATOM 990 OD2 ASP A 60 8.081 -10.228 -8.663 1.00 0.00 O ATOM 0 H ASP A 60 7.206 -6.182 -7.226 1.00 0.00 H new ATOM 0 HA ASP A 60 8.071 -8.480 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.828 -7.780 -8.435 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.556 -7.569 -8.233 1.00 0.00 H new ATOM 995 N LYS A 61 10.161 -5.940 -5.982 1.00 0.00 N ATOM 996 CA LYS A 61 11.411 -5.402 -5.443 1.00 0.00 C ATOM 997 C LYS A 61 11.397 -5.426 -3.913 1.00 0.00 C ATOM 998 O LYS A 61 12.421 -5.688 -3.282 1.00 0.00 O ATOM 999 CB LYS A 61 11.630 -3.969 -5.945 1.00 0.00 C ATOM 1000 CG LYS A 61 12.978 -3.379 -5.554 1.00 0.00 C ATOM 1001 CD LYS A 61 12.816 -2.129 -4.702 1.00 0.00 C ATOM 1002 CE LYS A 61 13.020 -0.858 -5.518 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.450 -0.647 -5.883 1.00 0.00 N ATOM 0 H LYS A 61 9.616 -5.272 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 61 12.232 -6.030 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.540 -3.957 -7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.838 -3.332 -5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.556 -4.122 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.544 -3.136 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 61 11.821 -2.119 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.533 -2.153 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.419 -0.911 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.662 -0.001 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.572 0.310 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.044 -0.756 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.733 -1.348 -6.597 1.00 0.00 H new ATOM 1017 N ALA A 62 10.228 -5.163 -3.328 1.00 0.00 N ATOM 1018 CA ALA A 62 10.072 -5.167 -1.875 1.00 0.00 C ATOM 1019 C ALA A 62 10.347 -6.553 -1.294 1.00 0.00 C ATOM 1020 O ALA A 62 10.935 -6.680 -0.220 1.00 0.00 O ATOM 1021 CB ALA A 62 8.673 -4.705 -1.492 1.00 0.00 C ATOM 0 H ALA A 62 9.374 -4.944 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 62 10.802 -4.474 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.572 -4.713 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.509 -3.694 -1.864 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.935 -5.377 -1.930 1.00 0.00 H new ATOM 1027 N ILE A 63 9.920 -7.589 -2.017 1.00 0.00 N ATOM 1028 CA ILE A 63 10.122 -8.970 -1.578 1.00 0.00 C ATOM 1029 C ILE A 63 11.608 -9.310 -1.513 1.00 0.00 C ATOM 1030 O ILE A 63 12.069 -9.920 -0.546 1.00 0.00 O ATOM 1031 CB ILE A 63 9.415 -9.978 -2.512 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.945 -9.589 -2.710 1.00 0.00 C ATOM 1033 CG2 ILE A 63 9.523 -11.392 -1.951 1.00 0.00 C ATOM 1034 CD1 ILE A 63 7.378 -10.019 -4.046 1.00 0.00 C ATOM 0 H ILE A 63 9.433 -7.498 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 63 9.685 -9.049 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 63 9.910 -9.954 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.350 -10.034 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.848 -8.507 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.020 -12.089 -2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.573 -11.669 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.053 -11.430 -0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.335 -9.710 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.948 -9.554 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.442 -11.103 -4.136 1.00 0.00 H new ATOM 1046 N ASP A 64 12.356 -8.907 -2.542 1.00 0.00 N ATOM 1047 CA ASP A 64 13.794 -9.167 -2.598 1.00 0.00 C ATOM 1048 C ASP A 64 14.498 -8.632 -1.351 1.00 0.00 C ATOM 1049 O ASP A 64 15.408 -9.272 -0.821 1.00 0.00 O ATOM 1050 CB ASP A 64 14.406 -8.536 -3.852 1.00 0.00 C ATOM 1051 CG ASP A 64 14.695 -9.562 -4.931 1.00 0.00 C ATOM 1052 OD1 ASP A 64 13.731 -10.142 -5.471 1.00 0.00 O ATOM 1053 OD2 ASP A 64 15.886 -9.781 -5.238 1.00 0.00 O ATOM 0 H ASP A 64 11.989 -8.400 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 64 13.936 -10.247 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.725 -7.781 -4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.330 -8.024 -3.584 1.00 0.00 H new ATOM 1058 N ILE A 65 14.068 -7.460 -0.886 1.00 0.00 N ATOM 1059 CA ILE A 65 14.653 -6.844 0.301 1.00 0.00 C ATOM 1060 C ILE A 65 14.349 -7.669 1.554 1.00 0.00 C ATOM 1061 O ILE A 65 15.222 -7.878 2.396 1.00 0.00 O ATOM 1062 CB ILE A 65 14.141 -5.400 0.506 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.303 -4.579 -0.778 1.00 0.00 C ATOM 1064 CG2 ILE A 65 14.877 -4.730 1.662 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.475 -3.312 -0.797 1.00 0.00 C ATOM 0 H ILE A 65 13.317 -6.919 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 65 15.731 -6.813 0.141 1.00 0.00 H new ATOM 0 HB ILE A 65 13.080 -5.447 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.354 -4.318 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.025 -5.197 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.503 -3.714 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.710 -5.298 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.945 -4.699 1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.641 -2.783 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.419 -3.566 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.768 -2.673 0.036 1.00 0.00 H new ATOM 1077 N LEU A 66 13.105 -8.136 1.665 1.00 0.00 N ATOM 1078 CA LEU A 66 12.682 -8.939 2.812 1.00 0.00 C ATOM 1079 C LEU A 66 13.380 -10.300 2.820 1.00 0.00 C ATOM 1080 O LEU A 66 13.880 -10.739 3.856 1.00 0.00 O ATOM 1081 CB LEU A 66 11.162 -9.133 2.799 1.00 0.00 C ATOM 1082 CG LEU A 66 10.336 -7.842 2.814 1.00 0.00 C ATOM 1083 CD1 LEU A 66 8.883 -8.134 2.466 1.00 0.00 C ATOM 1084 CD2 LEU A 66 10.436 -7.158 4.170 1.00 0.00 C ATOM 0 H LEU A 66 12.373 -7.972 0.974 1.00 0.00 H new ATOM 0 HA LEU A 66 12.965 -8.402 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.893 -9.706 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.882 -9.734 3.664 1.00 0.00 H new ATOM 0 HG LEU A 66 10.740 -7.166 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.312 -7.206 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.829 -8.577 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.467 -8.829 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.843 -6.243 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.059 -7.827 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.478 -6.913 4.378 1.00 0.00 H new ATOM 1096 N ASP A 67 13.408 -10.962 1.661 1.00 0.00 N ATOM 1097 CA ASP A 67 14.044 -12.275 1.536 1.00 0.00 C ATOM 1098 C ASP A 67 15.536 -12.206 1.870 1.00 0.00 C ATOM 1099 O ASP A 67 16.080 -13.114 2.499 1.00 0.00 O ATOM 1100 CB ASP A 67 13.851 -12.829 0.120 1.00 0.00 C ATOM 1101 CG ASP A 67 13.756 -14.343 0.097 1.00 0.00 C ATOM 1102 OD1 ASP A 67 12.791 -14.887 0.677 1.00 0.00 O ATOM 1103 OD2 ASP A 67 14.645 -14.984 -0.502 1.00 0.00 O ATOM 0 H ASP A 67 12.998 -10.610 0.796 1.00 0.00 H new ATOM 0 HA ASP A 67 13.566 -12.944 2.251 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.945 -12.405 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.683 -12.511 -0.508 1.00 0.00 H new ATOM 1108 N ARG A 68 16.188 -11.125 1.443 1.00 0.00 N ATOM 1109 CA ARG A 68 17.617 -10.929 1.696 1.00 0.00 C ATOM 1110 C ARG A 68 17.902 -10.758 3.190 1.00 0.00 C ATOM 1111 O ARG A 68 18.960 -11.159 3.678 1.00 0.00 O ATOM 1112 CB ARG A 68 18.122 -9.703 0.931 1.00 0.00 C ATOM 1113 CG ARG A 68 19.638 -9.577 0.898 1.00 0.00 C ATOM 1114 CD ARG A 68 20.139 -8.612 1.965 1.00 0.00 C ATOM 1115 NE ARG A 68 21.525 -8.207 1.736 1.00 0.00 N ATOM 1116 CZ ARG A 68 22.118 -7.182 2.355 1.00 0.00 C ATOM 1117 NH1 ARG A 68 21.449 -6.448 3.241 1.00 0.00 N ATOM 1118 NH2 ARG A 68 23.385 -6.889 2.086 1.00 0.00 N ATOM 0 H ARG A 68 15.748 -10.369 0.918 1.00 0.00 H new ATOM 0 HA ARG A 68 18.142 -11.819 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.749 -9.746 -0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.703 -8.805 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.089 -10.557 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 68 19.954 -9.230 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.502 -7.728 1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.057 -9.082 2.945 1.00 0.00 H new ATOM 0 HE ARG A 68 22.074 -8.740 1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.475 -6.666 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.910 -5.667 3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 23.904 -7.446 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 23.839 -6.107 2.558 1.00 0.00 H new ATOM 1132 N SER A 69 16.954 -10.154 3.910 1.00 0.00 N ATOM 1133 CA SER A 69 17.105 -9.926 5.344 1.00 0.00 C ATOM 1134 C SER A 69 16.167 -10.830 6.143 1.00 0.00 C ATOM 1135 O SER A 69 15.009 -10.481 6.380 1.00 0.00 O ATOM 1136 CB SER A 69 16.827 -8.455 5.675 1.00 0.00 C ATOM 1137 OG SER A 69 17.041 -8.187 7.050 1.00 0.00 O ATOM 0 H SER A 69 16.074 -9.815 3.521 1.00 0.00 H new ATOM 0 HA SER A 69 18.131 -10.168 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.473 -7.816 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.799 -8.208 5.410 1.00 0.00 H new ATOM 0 HG SER A 69 16.858 -7.242 7.231 1.00 0.00 H new ATOM 1143 N SER A 70 16.679 -11.989 6.559 1.00 0.00 N ATOM 1144 CA SER A 70 15.892 -12.952 7.339 1.00 0.00 C ATOM 1145 C SER A 70 15.390 -12.344 8.652 1.00 0.00 C ATOM 1146 O SER A 70 14.361 -12.770 9.178 1.00 0.00 O ATOM 1147 CB SER A 70 16.722 -14.204 7.641 1.00 0.00 C ATOM 1148 OG SER A 70 17.517 -14.580 6.527 1.00 0.00 O ATOM 0 H SER A 70 17.636 -12.286 6.370 1.00 0.00 H new ATOM 0 HA SER A 70 15.026 -13.224 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.364 -14.018 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.059 -15.026 7.910 1.00 0.00 H new ATOM 0 HG SER A 70 18.036 -15.381 6.751 1.00 0.00 H new ATOM 1154 N SER A 71 16.120 -11.355 9.179 1.00 0.00 N ATOM 1155 CA SER A 71 15.743 -10.701 10.430 1.00 0.00 C ATOM 1156 C SER A 71 14.337 -10.096 10.340 1.00 0.00 C ATOM 1157 O SER A 71 13.592 -10.095 11.321 1.00 0.00 O ATOM 1158 CB SER A 71 16.776 -9.621 10.786 1.00 0.00 C ATOM 1159 OG SER A 71 16.211 -8.605 11.595 1.00 0.00 O ATOM 0 H SER A 71 16.975 -10.992 8.756 1.00 0.00 H new ATOM 0 HA SER A 71 15.727 -11.452 11.220 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.616 -10.078 11.309 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.172 -9.180 9.871 1.00 0.00 H new ATOM 0 HG SER A 71 16.895 -7.935 11.804 1.00 0.00 H new ATOM 1165 N MET A 72 13.982 -9.585 9.160 1.00 0.00 N ATOM 1166 CA MET A 72 12.669 -8.980 8.945 1.00 0.00 C ATOM 1167 C MET A 72 11.869 -9.751 7.896 1.00 0.00 C ATOM 1168 O MET A 72 12.427 -10.540 7.133 1.00 0.00 O ATOM 1169 CB MET A 72 12.832 -7.521 8.507 1.00 0.00 C ATOM 1170 CG MET A 72 11.779 -6.591 9.084 1.00 0.00 C ATOM 1171 SD MET A 72 12.408 -4.926 9.367 1.00 0.00 S ATOM 1172 CE MET A 72 11.200 -4.299 10.531 1.00 0.00 C ATOM 0 H MET A 72 14.587 -9.579 8.339 1.00 0.00 H new ATOM 0 HA MET A 72 12.120 -9.019 9.886 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.819 -7.169 8.807 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.792 -7.471 7.419 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.929 -6.544 8.404 1.00 0.00 H new ATOM 0 HG3 MET A 72 11.412 -7.002 10.025 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.454 -3.274 10.803 1.00 0.00 H new ATOM 0 HE2 MET A 72 10.210 -4.319 10.074 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.199 -4.922 11.426 1.00 0.00 H new ATOM 1182 N LYS A 73 10.556 -9.514 7.867 1.00 0.00 N ATOM 1183 CA LYS A 73 9.673 -10.180 6.908 1.00 0.00 C ATOM 1184 C LYS A 73 8.336 -9.441 6.777 1.00 0.00 C ATOM 1185 O LYS A 73 7.281 -10.064 6.618 1.00 0.00 O ATOM 1186 CB LYS A 73 9.437 -11.638 7.322 1.00 0.00 C ATOM 1187 CG LYS A 73 8.824 -11.794 8.706 1.00 0.00 C ATOM 1188 CD LYS A 73 9.876 -12.145 9.747 1.00 0.00 C ATOM 1189 CE LYS A 73 9.268 -12.273 11.138 1.00 0.00 C ATOM 1190 NZ LYS A 73 8.299 -13.403 11.225 1.00 0.00 N ATOM 0 H LYS A 73 10.081 -8.866 8.496 1.00 0.00 H new ATOM 0 HA LYS A 73 10.163 -10.164 5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.783 -12.112 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.387 -12.172 7.294 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.325 -10.868 8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.061 -12.572 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.361 -13.082 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.650 -11.377 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.063 -12.421 11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.764 -11.343 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.026 -13.550 12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.453 -13.179 10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.741 -14.269 10.856 1.00 0.00 H new ATOM 1204 N SER A 74 8.386 -8.111 6.844 1.00 0.00 N ATOM 1205 CA SER A 74 7.183 -7.289 6.732 1.00 0.00 C ATOM 1206 C SER A 74 7.478 -6.001 5.963 1.00 0.00 C ATOM 1207 O SER A 74 8.591 -5.477 6.020 1.00 0.00 O ATOM 1208 CB SER A 74 6.629 -6.954 8.122 1.00 0.00 C ATOM 1209 OG SER A 74 6.878 -7.998 9.050 1.00 0.00 O ATOM 0 H SER A 74 9.247 -7.580 6.975 1.00 0.00 H new ATOM 0 HA SER A 74 6.434 -7.859 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.083 -6.031 8.482 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.556 -6.776 8.053 1.00 0.00 H new ATOM 0 HG SER A 74 6.660 -7.691 9.955 1.00 0.00 H new ATOM 1215 N LEU A 75 6.471 -5.495 5.251 1.00 0.00 N ATOM 1216 CA LEU A 75 6.624 -4.264 4.475 1.00 0.00 C ATOM 1217 C LEU A 75 5.796 -3.134 5.080 1.00 0.00 C ATOM 1218 O LEU A 75 4.623 -3.318 5.405 1.00 0.00 O ATOM 1219 CB LEU A 75 6.224 -4.479 3.007 1.00 0.00 C ATOM 1220 CG LEU A 75 5.113 -5.503 2.756 1.00 0.00 C ATOM 1221 CD1 LEU A 75 4.309 -5.125 1.518 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.700 -6.898 2.604 1.00 0.00 C ATOM 0 H LEU A 75 5.544 -5.916 5.195 1.00 0.00 H new ATOM 0 HA LEU A 75 7.677 -3.985 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.908 -3.521 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.109 -4.790 2.452 1.00 0.00 H new ATOM 0 HG LEU A 75 4.443 -5.502 3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.524 -5.863 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.859 -4.143 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.968 -5.098 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.897 -7.613 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.391 -6.912 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.233 -7.170 3.515 1.00 0.00 H new ATOM 1234 N ARG A 76 6.419 -1.963 5.228 1.00 0.00 N ATOM 1235 CA ARG A 76 5.740 -0.799 5.795 1.00 0.00 C ATOM 1236 C ARG A 76 5.230 0.126 4.693 1.00 0.00 C ATOM 1237 O ARG A 76 6.008 0.646 3.892 1.00 0.00 O ATOM 1238 CB ARG A 76 6.672 -0.027 6.741 1.00 0.00 C ATOM 1239 CG ARG A 76 8.012 0.356 6.125 1.00 0.00 C ATOM 1240 CD ARG A 76 9.112 -0.623 6.513 1.00 0.00 C ATOM 1241 NE ARG A 76 10.197 0.032 7.245 1.00 0.00 N ATOM 1242 CZ ARG A 76 10.219 0.190 8.572 1.00 0.00 C ATOM 1243 NH1 ARG A 76 9.206 -0.239 9.325 1.00 0.00 N ATOM 1244 NH2 ARG A 76 11.257 0.784 9.150 1.00 0.00 N ATOM 0 H ARG A 76 7.390 -1.797 4.963 1.00 0.00 H new ATOM 0 HA ARG A 76 4.886 -1.161 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 76 6.165 0.879 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.853 -0.633 7.629 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.918 0.386 5.039 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.288 1.360 6.449 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.689 -1.418 7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.513 -1.092 5.615 1.00 0.00 H new ATOM 0 HE ARG A 76 10.987 0.391 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.403 -0.693 8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.234 -0.113 10.337 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.035 1.118 8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.276 0.906 10.163 1.00 0.00 H new ATOM 1258 N ILE A 77 3.914 0.328 4.659 1.00 0.00 N ATOM 1259 CA ILE A 77 3.293 1.189 3.659 1.00 0.00 C ATOM 1260 C ILE A 77 2.382 2.219 4.319 1.00 0.00 C ATOM 1261 O ILE A 77 1.401 1.862 4.977 1.00 0.00 O ATOM 1262 CB ILE A 77 2.472 0.375 2.636 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.259 -0.855 2.170 1.00 0.00 C ATOM 1264 CG2 ILE A 77 2.089 1.251 1.451 1.00 0.00 C ATOM 1265 CD1 ILE A 77 2.502 -1.722 1.188 1.00 0.00 C ATOM 0 H ILE A 77 3.257 -0.095 5.315 1.00 0.00 H new ATOM 0 HA ILE A 77 4.102 1.698 3.135 1.00 0.00 H new ATOM 0 HB ILE A 77 1.558 0.029 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.191 -0.527 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.528 -1.455 3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.510 0.665 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.490 2.093 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.992 1.624 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.120 -2.573 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.583 -2.080 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.256 -1.138 0.301 1.00 0.00 H new ATOM 1277 N LEU A 78 2.709 3.496 4.138 1.00 0.00 N ATOM 1278 CA LEU A 78 1.918 4.577 4.718 1.00 0.00 C ATOM 1279 C LEU A 78 1.096 5.289 3.645 1.00 0.00 C ATOM 1280 O LEU A 78 1.643 5.809 2.671 1.00 0.00 O ATOM 1281 CB LEU A 78 2.824 5.580 5.442 1.00 0.00 C ATOM 1282 CG LEU A 78 4.020 6.097 4.631 1.00 0.00 C ATOM 1283 CD1 LEU A 78 4.134 7.609 4.757 1.00 0.00 C ATOM 1284 CD2 LEU A 78 5.307 5.421 5.086 1.00 0.00 C ATOM 0 H LEU A 78 3.515 3.807 3.595 1.00 0.00 H new ATOM 0 HA LEU A 78 1.231 4.139 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.219 6.434 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.200 5.112 6.352 1.00 0.00 H new ATOM 0 HG LEU A 78 3.858 5.851 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.987 7.959 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.223 8.075 4.381 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.274 7.877 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.144 5.800 4.500 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.477 5.635 6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.222 4.344 4.943 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.223 5.309 3.834 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.123 5.962 2.888 1.00 0.00 C ATOM 1298 C LEU A 79 -1.804 7.164 3.534 1.00 0.00 C ATOM 1299 O LEU A 79 -2.259 7.091 4.676 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.174 4.979 2.355 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.896 4.134 3.411 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.067 4.900 4.007 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -3.369 2.823 2.802 1.00 0.00 C ATOM 0 H LEU A 79 -0.690 4.881 4.633 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.525 6.310 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.921 5.543 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.689 4.306 1.648 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.193 3.912 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.564 4.281 4.754 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.703 5.813 4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.774 5.155 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.880 2.232 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.055 3.030 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.511 2.266 2.426 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.864 8.271 2.798 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.482 9.496 3.299 1.00 0.00 C ATOM 1317 C LEU A 80 -3.735 9.838 2.497 1.00 0.00 C ATOM 1318 O LEU A 80 -3.784 9.616 1.286 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.487 10.658 3.231 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.121 10.384 3.861 1.00 0.00 C ATOM 1321 CD1 LEU A 80 0.783 9.642 2.885 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.529 11.683 4.312 1.00 0.00 C ATOM 0 H LEU A 80 -1.492 8.345 1.851 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.769 9.332 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.339 10.928 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.930 11.523 3.724 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.269 9.752 4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.750 9.457 3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.323 8.692 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.924 10.246 1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.500 11.468 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.661 12.341 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.108 12.172 5.049 1.00 0.00 H new ATOM 1334 N SER A 81 -4.743 10.383 3.175 1.00 0.00 N ATOM 1335 CA SER A 81 -5.992 10.758 2.519 1.00 0.00 C ATOM 1336 C SER A 81 -6.019 12.253 2.207 1.00 0.00 C ATOM 1337 O SER A 81 -5.637 13.081 3.035 1.00 0.00 O ATOM 1338 CB SER A 81 -7.191 10.382 3.397 1.00 0.00 C ATOM 1339 OG SER A 81 -7.773 9.157 2.977 1.00 0.00 O ATOM 0 H SER A 81 -4.719 10.574 4.177 1.00 0.00 H new ATOM 0 HA SER A 81 -6.056 10.210 1.579 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.872 10.298 4.436 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.938 11.175 3.356 1.00 0.00 H new ATOM 0 HG SER A 81 -8.534 8.941 3.556 1.00 0.00 H new ATOM 1345 N GLN A 82 -6.479 12.585 1.002 1.00 0.00 N ATOM 1346 CA GLN A 82 -6.568 13.978 0.559 1.00 0.00 C ATOM 1347 C GLN A 82 -7.905 14.621 0.942 1.00 0.00 C ATOM 1348 O GLN A 82 -8.191 15.753 0.551 1.00 0.00 O ATOM 1349 CB GLN A 82 -6.344 14.071 -0.955 1.00 0.00 C ATOM 1350 CG GLN A 82 -4.908 13.782 -1.373 1.00 0.00 C ATOM 1351 CD GLN A 82 -4.260 14.942 -2.105 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -3.663 14.765 -3.164 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -4.372 16.141 -1.539 1.00 0.00 N ATOM 0 H GLN A 82 -6.798 11.906 0.311 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.783 14.533 1.072 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -7.009 13.368 -1.457 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -6.620 15.069 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.319 13.543 -0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.892 12.900 -2.014 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.877 16.244 -0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.953 16.957 -1.986 1.00 0.00 H new