USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 658 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 73 MET CE :methyl -167:sc= -0.134 (180deg=-0.51) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= -0.0507 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 140:sc= 1.08 (180deg=-0.0322) USER MOD Set 2.2: A 38 HIS : no HD1:sc= 1.86 K(o=3.6,f=-12!) USER MOD Set 2.3: A 43 GLN : amide:sc= 0.648 K(o=3.6,f=-4.3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -168:sc= 0 (180deg=-0.0957) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -146:sc= -0.427 (180deg=-1.88!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 59 TYR OH : rot 178:sc=0.000914 USER MOD Single : A 61 MET CE :methyl -176:sc= -1.26 (180deg=-1.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.652 K(o=0.65,f=-0.14) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.656 K(o=0.66,f=-0.076) USER MOD Single : A 69 GLN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.658 K(o=0.66,f=-4!) USER MOD Single : A 72 HIS : no HD1:sc= 0.818 K(o=0.82,f=-3.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0538 USER MOD Single : A 88 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.2) USER MOD Single : A 89 SER OG : rot -143:sc= 1.18 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -149:sc= -3.3! (180deg=-4.44!) USER MOD Single : A 104 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.11) USER MOD Single : A 105 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 68 N VAL A 27 12.632 6.430 4.919 1.00 0.00 N ATOM 69 CA VAL A 27 14.089 6.627 4.752 1.00 0.00 C ATOM 70 C VAL A 27 14.400 7.826 3.841 1.00 0.00 C ATOM 71 O VAL A 27 13.497 8.443 3.271 1.00 0.00 O ATOM 72 CB VAL A 27 14.793 5.329 4.287 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.610 4.192 5.299 1.00 0.00 C ATOM 74 CG2 VAL A 27 14.323 4.842 2.913 1.00 0.00 C ATOM 0 HA VAL A 27 14.501 6.868 5.732 1.00 0.00 H new ATOM 0 HB VAL A 27 15.848 5.594 4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.118 3.298 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.034 4.487 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.548 3.981 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.857 3.929 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.252 4.640 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.525 5.610 2.166 1.00 0.00 H new ATOM 84 N ARG A 28 15.677 8.208 3.737 1.00 0.00 N ATOM 85 CA ARG A 28 16.154 9.327 2.900 1.00 0.00 C ATOM 86 C ARG A 28 16.451 8.872 1.450 1.00 0.00 C ATOM 87 O ARG A 28 17.114 7.847 1.278 1.00 0.00 O ATOM 88 CB ARG A 28 17.374 9.942 3.612 1.00 0.00 C ATOM 89 CG ARG A 28 17.878 11.246 2.973 1.00 0.00 C ATOM 90 CD ARG A 28 18.786 12.087 3.886 1.00 0.00 C ATOM 91 NE ARG A 28 19.838 11.293 4.556 1.00 0.00 N ATOM 92 CZ ARG A 28 19.862 10.889 5.817 1.00 0.00 C ATOM 93 NH1 ARG A 28 18.865 11.068 6.639 1.00 0.00 N ATOM 94 NH2 ARG A 28 20.913 10.275 6.282 1.00 0.00 N ATOM 0 H ARG A 28 16.430 7.740 4.242 1.00 0.00 H new ATOM 0 HA ARG A 28 15.382 10.089 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.115 10.136 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.185 9.214 3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.424 11.003 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.019 11.849 2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.255 12.874 3.295 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.174 12.578 4.642 1.00 0.00 H new ATOM 0 HE ARG A 28 20.637 11.026 3.981 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.018 11.538 6.319 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.932 10.738 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.715 10.106 5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.933 9.963 7.253 1.00 0.00 H new ATOM 108 N PRO A 29 15.988 9.601 0.409 1.00 0.00 N ATOM 109 CA PRO A 29 16.335 9.328 -0.993 1.00 0.00 C ATOM 110 C PRO A 29 17.780 9.734 -1.324 1.00 0.00 C ATOM 111 O PRO A 29 18.486 10.309 -0.491 1.00 0.00 O ATOM 112 CB PRO A 29 15.302 10.116 -1.811 1.00 0.00 C ATOM 113 CG PRO A 29 15.027 11.336 -0.937 1.00 0.00 C ATOM 114 CD PRO A 29 15.087 10.750 0.474 1.00 0.00 C ATOM 0 HA PRO A 29 16.300 8.263 -1.221 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.693 10.400 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.397 9.534 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.772 12.117 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.054 11.779 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.453 11.490 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.096 10.447 0.810 1.00 0.00 H new ATOM 122 N LYS A 30 18.228 9.448 -2.555 1.00 0.00 N ATOM 123 CA LYS A 30 19.564 9.811 -3.033 1.00 0.00 C ATOM 124 C LYS A 30 19.746 11.338 -3.023 1.00 0.00 C ATOM 125 O LYS A 30 18.797 12.083 -3.270 1.00 0.00 O ATOM 126 CB LYS A 30 19.728 9.209 -4.439 1.00 0.00 C ATOM 127 CG LYS A 30 21.179 9.072 -4.916 1.00 0.00 C ATOM 128 CD LYS A 30 21.757 7.650 -4.815 1.00 0.00 C ATOM 129 CE LYS A 30 21.843 7.127 -3.373 1.00 0.00 C ATOM 130 NZ LYS A 30 22.485 5.782 -3.318 1.00 0.00 N ATOM 0 H LYS A 30 17.667 8.955 -3.250 1.00 0.00 H new ATOM 0 HA LYS A 30 20.339 9.412 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.261 8.224 -4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.184 9.830 -5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.239 9.401 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.805 9.746 -4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.139 6.972 -5.403 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.753 7.638 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.413 7.829 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.842 7.072 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.528 5.458 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.927 5.108 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 23.449 5.841 -3.705 1.00 0.00 H new ATOM 144 N LEU A 31 20.964 11.815 -2.771 1.00 0.00 N ATOM 145 CA LEU A 31 21.232 13.243 -2.527 1.00 0.00 C ATOM 146 C LEU A 31 20.829 14.170 -3.690 1.00 0.00 C ATOM 147 O LEU A 31 20.202 15.189 -3.408 1.00 0.00 O ATOM 148 CB LEU A 31 22.701 13.451 -2.087 1.00 0.00 C ATOM 149 CG LEU A 31 23.011 13.260 -0.586 1.00 0.00 C ATOM 150 CD1 LEU A 31 22.289 14.285 0.293 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.676 11.860 -0.069 1.00 0.00 C ATOM 0 H LEU A 31 21.797 11.228 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 31 20.580 13.544 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.326 12.761 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.001 14.460 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 31 24.089 13.408 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 31 22.540 14.108 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 31 22.600 15.291 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 31 21.212 14.187 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.919 11.796 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.613 11.665 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.257 11.120 -0.619 1.00 0.00 H new ATOM 163 N PRO A 32 21.047 13.833 -4.979 1.00 0.00 N ATOM 164 CA PRO A 32 20.536 14.642 -6.091 1.00 0.00 C ATOM 165 C PRO A 32 19.004 14.757 -6.118 1.00 0.00 C ATOM 166 O PRO A 32 18.474 15.815 -6.445 1.00 0.00 O ATOM 167 CB PRO A 32 21.072 13.973 -7.361 1.00 0.00 C ATOM 168 CG PRO A 32 22.348 13.284 -6.883 1.00 0.00 C ATOM 169 CD PRO A 32 21.958 12.815 -5.485 1.00 0.00 C ATOM 0 HA PRO A 32 20.874 15.674 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.358 13.258 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.278 14.703 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.627 12.451 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.196 13.968 -6.861 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.477 11.838 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.834 12.717 -4.844 1.00 0.00 H new ATOM 177 N LEU A 33 18.278 13.710 -5.702 1.00 0.00 N ATOM 178 CA LEU A 33 16.811 13.736 -5.601 1.00 0.00 C ATOM 179 C LEU A 33 16.386 14.659 -4.436 1.00 0.00 C ATOM 180 O LEU A 33 15.508 15.504 -4.599 1.00 0.00 O ATOM 181 CB LEU A 33 16.297 12.272 -5.526 1.00 0.00 C ATOM 182 CG LEU A 33 14.830 12.061 -5.950 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.514 10.571 -6.038 1.00 0.00 C ATOM 184 CD2 LEU A 33 13.811 12.655 -4.981 1.00 0.00 C ATOM 0 H LEU A 33 18.692 12.820 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 33 16.340 14.172 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.932 11.650 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.416 11.916 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 33 14.743 12.569 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.475 10.437 -6.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.168 10.103 -6.774 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.673 10.107 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.803 12.464 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.931 12.195 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.970 13.730 -4.900 1.00 0.00 H new ATOM 196 N LEU A 34 17.092 14.613 -3.300 1.00 0.00 N ATOM 197 CA LEU A 34 16.899 15.548 -2.175 1.00 0.00 C ATOM 198 C LEU A 34 17.236 17.007 -2.546 1.00 0.00 C ATOM 199 O LEU A 34 16.524 17.921 -2.137 1.00 0.00 O ATOM 200 CB LEU A 34 17.678 14.996 -0.966 1.00 0.00 C ATOM 201 CG LEU A 34 17.401 15.667 0.401 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.642 14.635 1.503 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.350 16.832 0.667 1.00 0.00 C ATOM 0 H LEU A 34 17.821 13.921 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 34 15.844 15.605 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.457 13.933 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.744 15.083 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 34 16.376 16.036 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.452 15.090 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.971 13.788 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.675 14.291 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.121 17.274 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.378 16.471 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.230 17.584 -0.112 1.00 0.00 H new ATOM 215 N LYS A 35 18.245 17.240 -3.396 1.00 0.00 N ATOM 216 CA LYS A 35 18.538 18.567 -3.981 1.00 0.00 C ATOM 217 C LYS A 35 17.389 19.081 -4.858 1.00 0.00 C ATOM 218 O LYS A 35 17.046 20.257 -4.779 1.00 0.00 O ATOM 219 CB LYS A 35 19.864 18.526 -4.772 1.00 0.00 C ATOM 220 CG LYS A 35 21.101 19.082 -4.043 1.00 0.00 C ATOM 221 CD LYS A 35 21.582 18.303 -2.804 1.00 0.00 C ATOM 222 CE LYS A 35 20.753 18.521 -1.526 1.00 0.00 C ATOM 223 NZ LYS A 35 20.894 19.913 -1.003 1.00 0.00 N ATOM 0 H LYS A 35 18.889 16.511 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 35 18.644 19.272 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.066 17.492 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.730 19.086 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.924 19.129 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.885 20.106 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.580 17.239 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.615 18.582 -2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.703 18.316 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.070 17.812 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.971 20.252 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.575 19.921 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.235 20.536 -1.763 1.00 0.00 H new ATOM 237 N ILE A 36 16.739 18.212 -5.633 1.00 0.00 N ATOM 238 CA ILE A 36 15.543 18.556 -6.421 1.00 0.00 C ATOM 239 C ILE A 36 14.339 18.878 -5.515 1.00 0.00 C ATOM 240 O ILE A 36 13.624 19.846 -5.770 1.00 0.00 O ATOM 241 CB ILE A 36 15.276 17.437 -7.452 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.439 17.425 -8.473 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.932 17.647 -8.164 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.493 16.177 -9.357 1.00 0.00 C ATOM 0 H ILE A 36 17.027 17.239 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 36 15.718 19.475 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 36 15.221 16.477 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.354 18.304 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.381 17.513 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.772 16.844 -8.883 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.127 17.642 -7.430 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.942 18.604 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.338 16.253 -10.042 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.611 15.293 -8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.568 16.096 -9.929 1.00 0.00 H new ATOM 256 N LEU A 37 14.157 18.158 -4.401 1.00 0.00 N ATOM 257 CA LEU A 37 13.167 18.497 -3.368 1.00 0.00 C ATOM 258 C LEU A 37 13.448 19.871 -2.721 1.00 0.00 C ATOM 259 O LEU A 37 12.519 20.665 -2.566 1.00 0.00 O ATOM 260 CB LEU A 37 13.098 17.351 -2.334 1.00 0.00 C ATOM 261 CG LEU A 37 12.552 16.029 -2.915 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.786 14.848 -1.976 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.051 16.124 -3.152 1.00 0.00 C ATOM 0 H LEU A 37 14.695 17.318 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 37 12.187 18.597 -3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.095 17.177 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.466 17.661 -1.502 1.00 0.00 H new ATOM 0 HG LEU A 37 13.088 15.866 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.385 13.940 -2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.855 14.726 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.284 15.033 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.687 15.182 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.546 16.329 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.844 16.930 -3.856 1.00 0.00 H new ATOM 275 N HIS A 38 14.712 20.218 -2.439 1.00 0.00 N ATOM 276 CA HIS A 38 15.092 21.583 -2.023 1.00 0.00 C ATOM 277 C HIS A 38 14.790 22.630 -3.110 1.00 0.00 C ATOM 278 O HIS A 38 14.223 23.681 -2.805 1.00 0.00 O ATOM 279 CB HIS A 38 16.575 21.650 -1.605 1.00 0.00 C ATOM 280 CG HIS A 38 16.927 21.032 -0.269 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.148 20.421 0.042 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.183 21.115 0.872 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.092 20.132 1.355 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.923 20.531 1.875 1.00 0.00 N ATOM 0 H HIS A 38 15.497 19.569 -2.491 1.00 0.00 H new ATOM 0 HA HIS A 38 14.478 21.826 -1.156 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.169 21.159 -2.376 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.878 22.697 -1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.201 21.555 0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.879 19.646 1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.632 20.421 2.846 1.00 0.00 H new ATOM 292 N ALA A 39 15.085 22.341 -4.383 1.00 0.00 N ATOM 293 CA ALA A 39 14.802 23.238 -5.510 1.00 0.00 C ATOM 294 C ALA A 39 13.296 23.480 -5.732 1.00 0.00 C ATOM 295 O ALA A 39 12.907 24.531 -6.246 1.00 0.00 O ATOM 296 CB ALA A 39 15.437 22.654 -6.774 1.00 0.00 C ATOM 0 H ALA A 39 15.532 21.468 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 39 15.232 24.211 -5.274 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.234 23.311 -7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.514 22.566 -6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.015 21.668 -6.971 1.00 0.00 H new ATOM 302 N ALA A 40 12.443 22.539 -5.308 1.00 0.00 N ATOM 303 CA ALA A 40 10.988 22.691 -5.312 1.00 0.00 C ATOM 304 C ALA A 40 10.463 23.657 -4.221 1.00 0.00 C ATOM 305 O ALA A 40 9.268 23.959 -4.189 1.00 0.00 O ATOM 306 CB ALA A 40 10.350 21.303 -5.165 1.00 0.00 C ATOM 0 H ALA A 40 12.753 21.637 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 40 10.704 23.146 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.264 21.400 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.659 20.671 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.673 20.852 -4.227 1.00 0.00 H new ATOM 312 N GLY A 41 11.335 24.123 -3.313 1.00 0.00 N ATOM 313 CA GLY A 41 10.990 24.970 -2.164 1.00 0.00 C ATOM 314 C GLY A 41 10.623 24.197 -0.887 1.00 0.00 C ATOM 315 O GLY A 41 10.207 24.812 0.099 1.00 0.00 O ATOM 0 H GLY A 41 12.332 23.913 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.833 25.626 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.152 25.610 -2.440 1.00 0.00 H new ATOM 319 N ALA A 42 10.771 22.866 -0.885 1.00 0.00 N ATOM 320 CA ALA A 42 10.559 22.005 0.281 1.00 0.00 C ATOM 321 C ALA A 42 11.834 21.860 1.141 1.00 0.00 C ATOM 322 O ALA A 42 12.902 22.374 0.799 1.00 0.00 O ATOM 323 CB ALA A 42 10.033 20.652 -0.215 1.00 0.00 C ATOM 0 H ALA A 42 11.049 22.346 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 42 9.822 22.461 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.867 19.992 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.094 20.800 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.764 20.201 -0.886 1.00 0.00 H new ATOM 329 N GLN A 43 11.728 21.127 2.254 1.00 0.00 N ATOM 330 CA GLN A 43 12.848 20.734 3.121 1.00 0.00 C ATOM 331 C GLN A 43 12.659 19.285 3.597 1.00 0.00 C ATOM 332 O GLN A 43 11.525 18.835 3.786 1.00 0.00 O ATOM 333 CB GLN A 43 12.947 21.707 4.315 1.00 0.00 C ATOM 334 CG GLN A 43 14.379 22.040 4.765 1.00 0.00 C ATOM 335 CD GLN A 43 15.183 20.861 5.300 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.979 20.265 4.588 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.993 20.456 6.538 1.00 0.00 N ATOM 0 H GLN A 43 10.830 20.778 2.589 1.00 0.00 H new ATOM 0 HA GLN A 43 13.781 20.785 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.440 22.635 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.407 21.278 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.916 22.472 3.921 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.330 22.807 5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.331 20.947 7.139 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.508 19.651 6.896 1.00 0.00 H new ATOM 346 N GLY A 44 13.758 18.565 3.829 1.00 0.00 N ATOM 347 CA GLY A 44 13.706 17.256 4.474 1.00 0.00 C ATOM 348 C GLY A 44 15.025 16.497 4.598 1.00 0.00 C ATOM 349 O GLY A 44 15.985 16.745 3.871 1.00 0.00 O ATOM 0 H GLY A 44 14.698 18.870 3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.294 17.386 5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.006 16.632 3.919 1.00 0.00 H new ATOM 353 N GLU A 45 15.023 15.515 5.505 1.00 0.00 N ATOM 354 CA GLU A 45 16.089 14.515 5.703 1.00 0.00 C ATOM 355 C GLU A 45 15.557 13.063 5.636 1.00 0.00 C ATOM 356 O GLU A 45 16.284 12.125 5.953 1.00 0.00 O ATOM 357 CB GLU A 45 16.820 14.791 7.033 1.00 0.00 C ATOM 358 CG GLU A 45 17.530 16.152 7.059 1.00 0.00 C ATOM 359 CD GLU A 45 18.310 16.339 8.373 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.738 16.868 9.358 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.509 15.967 8.435 1.00 0.00 O ATOM 0 H GLU A 45 14.246 15.386 6.153 1.00 0.00 H new ATOM 0 HA GLU A 45 16.799 14.612 4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.101 14.747 7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.552 14.003 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.212 16.227 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.797 16.951 6.949 1.00 0.00 H new ATOM 368 N MET A 46 14.290 12.882 5.245 1.00 0.00 N ATOM 369 CA MET A 46 13.523 11.623 5.137 1.00 0.00 C ATOM 370 C MET A 46 12.182 11.909 4.427 1.00 0.00 C ATOM 371 O MET A 46 11.522 12.893 4.770 1.00 0.00 O ATOM 372 CB MET A 46 13.238 11.065 6.549 1.00 0.00 C ATOM 373 CG MET A 46 14.164 9.900 6.921 1.00 0.00 C ATOM 374 SD MET A 46 14.343 9.599 8.701 1.00 0.00 S ATOM 375 CE MET A 46 15.393 11.011 9.152 1.00 0.00 C ATOM 0 H MET A 46 13.719 13.681 4.970 1.00 0.00 H new ATOM 0 HA MET A 46 14.099 10.894 4.568 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.353 11.864 7.281 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.202 10.732 6.601 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.787 8.992 6.451 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.151 10.091 6.499 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.777 10.871 10.162 1.00 0.00 H new ATOM 0 HE2 MET A 46 16.227 11.082 8.453 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.806 11.929 9.111 1.00 0.00 H new ATOM 385 N PHE A 47 11.760 11.072 3.466 1.00 0.00 N ATOM 386 CA PHE A 47 10.527 11.301 2.683 1.00 0.00 C ATOM 387 C PHE A 47 9.829 10.003 2.223 1.00 0.00 C ATOM 388 O PHE A 47 10.497 9.036 1.856 1.00 0.00 O ATOM 389 CB PHE A 47 10.838 12.113 1.412 1.00 0.00 C ATOM 390 CG PHE A 47 11.466 13.491 1.540 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.866 13.629 1.613 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.662 14.644 1.451 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.457 14.905 1.579 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.252 15.921 1.410 1.00 0.00 C ATOM 395 CZ PHE A 47 12.651 16.050 1.454 1.00 0.00 C ATOM 0 H PHE A 47 12.258 10.220 3.208 1.00 0.00 H new ATOM 0 HA PHE A 47 9.861 11.835 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.500 11.509 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.904 12.229 0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.489 12.751 1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.587 14.548 1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.530 15.005 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.630 16.802 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.106 17.027 1.392 1.00 0.00 H new ATOM 405 N THR A 48 8.491 9.987 2.186 1.00 0.00 N ATOM 406 CA THR A 48 7.681 8.920 1.547 1.00 0.00 C ATOM 407 C THR A 48 7.473 9.198 0.048 1.00 0.00 C ATOM 408 O THR A 48 7.716 10.314 -0.409 1.00 0.00 O ATOM 409 CB THR A 48 6.294 8.801 2.205 1.00 0.00 C ATOM 410 OG1 THR A 48 5.545 9.969 1.955 1.00 0.00 O ATOM 411 CG2 THR A 48 6.351 8.574 3.711 1.00 0.00 C ATOM 0 H THR A 48 7.923 10.724 2.604 1.00 0.00 H new ATOM 0 HA THR A 48 8.235 7.991 1.678 1.00 0.00 H new ATOM 0 HB THR A 48 5.823 7.924 1.761 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.663 9.888 2.374 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.338 8.500 4.106 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.890 7.650 3.920 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.866 9.409 4.186 1.00 0.00 H new ATOM 419 N VAL A 49 6.948 8.236 -0.733 1.00 0.00 N ATOM 420 CA VAL A 49 6.505 8.505 -2.126 1.00 0.00 C ATOM 421 C VAL A 49 5.472 9.642 -2.137 1.00 0.00 C ATOM 422 O VAL A 49 5.636 10.599 -2.887 1.00 0.00 O ATOM 423 CB VAL A 49 6.001 7.213 -2.830 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.785 7.346 -3.758 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.127 6.605 -3.675 1.00 0.00 C ATOM 0 H VAL A 49 6.818 7.270 -0.432 1.00 0.00 H new ATOM 0 HA VAL A 49 7.362 8.838 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 49 5.683 6.592 -1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.542 6.371 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.932 7.718 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.016 8.043 -4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.766 5.701 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.445 7.324 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.971 6.357 -3.032 1.00 0.00 H new ATOM 435 N LYS A 50 4.472 9.617 -1.244 1.00 0.00 N ATOM 436 CA LYS A 50 3.422 10.647 -1.163 1.00 0.00 C ATOM 437 C LYS A 50 3.982 12.063 -0.966 1.00 0.00 C ATOM 438 O LYS A 50 3.461 13.012 -1.552 1.00 0.00 O ATOM 439 CB LYS A 50 2.463 10.238 -0.038 1.00 0.00 C ATOM 440 CG LYS A 50 1.196 11.100 0.018 1.00 0.00 C ATOM 441 CD LYS A 50 0.235 10.488 1.045 1.00 0.00 C ATOM 442 CE LYS A 50 -1.109 11.229 1.139 1.00 0.00 C ATOM 443 NZ LYS A 50 -0.983 12.577 1.761 1.00 0.00 N ATOM 0 H LYS A 50 4.367 8.876 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 50 2.890 10.698 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.179 9.194 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.984 10.306 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.446 12.124 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.724 11.143 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.050 9.446 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.712 10.490 2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.532 11.333 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.809 10.630 1.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.918 13.031 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.606 12.480 2.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.337 13.162 1.194 1.00 0.00 H new ATOM 457 N GLU A 51 5.068 12.205 -0.205 1.00 0.00 N ATOM 458 CA GLU A 51 5.787 13.477 -0.053 1.00 0.00 C ATOM 459 C GLU A 51 6.674 13.807 -1.262 1.00 0.00 C ATOM 460 O GLU A 51 6.630 14.932 -1.762 1.00 0.00 O ATOM 461 CB GLU A 51 6.638 13.451 1.226 1.00 0.00 C ATOM 462 CG GLU A 51 5.801 13.380 2.508 1.00 0.00 C ATOM 463 CD GLU A 51 6.705 13.249 3.750 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.421 12.226 3.885 1.00 0.00 O ATOM 465 OE2 GLU A 51 6.698 14.172 4.603 1.00 0.00 O ATOM 0 H GLU A 51 5.478 11.438 0.328 1.00 0.00 H new ATOM 0 HA GLU A 51 5.033 14.261 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.309 12.593 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.263 14.344 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.185 14.275 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.122 12.529 2.457 1.00 0.00 H new ATOM 472 N VAL A 52 7.459 12.848 -1.768 1.00 0.00 N ATOM 473 CA VAL A 52 8.383 13.095 -2.886 1.00 0.00 C ATOM 474 C VAL A 52 7.639 13.470 -4.161 1.00 0.00 C ATOM 475 O VAL A 52 7.991 14.472 -4.773 1.00 0.00 O ATOM 476 CB VAL A 52 9.349 11.917 -3.129 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.191 12.104 -4.398 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.330 11.797 -1.958 1.00 0.00 C ATOM 0 H VAL A 52 7.474 11.889 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 52 8.994 13.949 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 52 8.728 11.027 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.854 11.248 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.533 12.183 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.785 13.014 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.009 10.963 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.904 12.719 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.776 11.623 -1.036 1.00 0.00 H new ATOM 488 N MET A 53 6.614 12.722 -4.578 1.00 0.00 N ATOM 489 CA MET A 53 5.970 12.942 -5.887 1.00 0.00 C ATOM 490 C MET A 53 5.151 14.224 -5.919 1.00 0.00 C ATOM 491 O MET A 53 5.016 14.852 -6.966 1.00 0.00 O ATOM 492 CB MET A 53 5.077 11.769 -6.314 1.00 0.00 C ATOM 493 CG MET A 53 5.523 10.351 -5.953 1.00 0.00 C ATOM 494 SD MET A 53 7.271 9.923 -5.673 1.00 0.00 S ATOM 495 CE MET A 53 8.017 10.561 -7.181 1.00 0.00 C ATOM 0 H MET A 53 6.209 11.960 -4.034 1.00 0.00 H new ATOM 0 HA MET A 53 6.794 13.027 -6.596 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.089 11.928 -5.881 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.961 11.816 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.984 10.075 -5.047 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.164 9.698 -6.749 1.00 0.00 H new ATOM 0 HE1 MET A 53 8.850 9.922 -7.474 1.00 0.00 H new ATOM 0 HE2 MET A 53 7.273 10.575 -7.977 1.00 0.00 H new ATOM 0 HE3 MET A 53 8.381 11.574 -7.007 1.00 0.00 H new ATOM 505 N HIS A 54 4.666 14.629 -4.751 1.00 0.00 N ATOM 506 CA HIS A 54 4.028 15.939 -4.551 1.00 0.00 C ATOM 507 C HIS A 54 4.991 17.085 -4.908 1.00 0.00 C ATOM 508 O HIS A 54 4.690 17.904 -5.780 1.00 0.00 O ATOM 509 CB HIS A 54 3.501 16.054 -3.114 1.00 0.00 C ATOM 510 CG HIS A 54 2.940 17.418 -2.794 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.737 17.941 -3.280 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.546 18.357 -2.011 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.646 19.184 -2.774 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.718 19.458 -2.009 1.00 0.00 N ATOM 0 H HIS A 54 4.701 14.059 -3.906 1.00 0.00 H new ATOM 0 HA HIS A 54 3.177 16.023 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.726 15.304 -2.957 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.309 15.828 -2.418 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.489 18.257 -1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.828 19.865 -2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 54 2.889 20.332 -1.512 1.00 0.00 H new ATOM 522 N TYR A 55 6.184 17.103 -4.304 1.00 0.00 N ATOM 523 CA TYR A 55 7.205 18.124 -4.573 1.00 0.00 C ATOM 524 C TYR A 55 7.914 17.945 -5.927 1.00 0.00 C ATOM 525 O TYR A 55 8.239 18.944 -6.562 1.00 0.00 O ATOM 526 CB TYR A 55 8.203 18.154 -3.409 1.00 0.00 C ATOM 527 CG TYR A 55 7.615 18.604 -2.080 1.00 0.00 C ATOM 528 CD1 TYR A 55 6.934 19.835 -1.980 1.00 0.00 C ATOM 529 CD2 TYR A 55 7.760 17.794 -0.935 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.394 20.248 -0.746 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.219 18.201 0.300 1.00 0.00 C ATOM 532 CZ TYR A 55 6.534 19.432 0.398 1.00 0.00 C ATOM 533 OH TYR A 55 6.008 19.841 1.587 1.00 0.00 O ATOM 0 H TYR A 55 6.470 16.409 -3.613 1.00 0.00 H new ATOM 0 HA TYR A 55 6.699 19.086 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.626 17.157 -3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.026 18.819 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.826 20.463 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.289 16.855 -1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.872 21.191 -0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.328 17.572 1.171 1.00 0.00 H new ATOM 0 HH TYR A 55 6.189 19.166 2.274 1.00 0.00 H new ATOM 543 N LEU A 56 8.104 16.717 -6.426 1.00 0.00 N ATOM 544 CA LEU A 56 8.648 16.466 -7.771 1.00 0.00 C ATOM 545 C LEU A 56 7.676 16.905 -8.869 1.00 0.00 C ATOM 546 O LEU A 56 8.108 17.547 -9.819 1.00 0.00 O ATOM 547 CB LEU A 56 9.052 14.984 -7.950 1.00 0.00 C ATOM 548 CG LEU A 56 10.561 14.685 -7.869 1.00 0.00 C ATOM 549 CD1 LEU A 56 11.310 15.233 -9.084 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.205 15.229 -6.597 1.00 0.00 C ATOM 0 H LEU A 56 7.885 15.866 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 56 9.548 17.073 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.543 14.394 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.684 14.641 -8.917 1.00 0.00 H new ATOM 0 HG LEU A 56 10.642 13.598 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.371 15.003 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.917 14.774 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.176 16.313 -9.137 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.268 14.988 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.078 16.311 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.730 14.777 -5.726 1.00 0.00 H new ATOM 562 N GLY A 57 6.376 16.639 -8.727 1.00 0.00 N ATOM 563 CA GLY A 57 5.349 17.132 -9.649 1.00 0.00 C ATOM 564 C GLY A 57 5.301 18.658 -9.674 1.00 0.00 C ATOM 565 O GLY A 57 5.382 19.264 -10.740 1.00 0.00 O ATOM 0 H GLY A 57 6.003 16.072 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.550 16.757 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.375 16.742 -9.352 1.00 0.00 H new ATOM 569 N GLN A 58 5.294 19.291 -8.496 1.00 0.00 N ATOM 570 CA GLN A 58 5.406 20.746 -8.336 1.00 0.00 C ATOM 571 C GLN A 58 6.675 21.307 -9.007 1.00 0.00 C ATOM 572 O GLN A 58 6.603 22.271 -9.777 1.00 0.00 O ATOM 573 CB GLN A 58 5.364 21.040 -6.823 1.00 0.00 C ATOM 574 CG GLN A 58 5.607 22.494 -6.396 1.00 0.00 C ATOM 575 CD GLN A 58 4.529 23.451 -6.899 1.00 0.00 C ATOM 576 OE1 GLN A 58 3.597 23.813 -6.193 1.00 0.00 O ATOM 577 NE2 GLN A 58 4.601 23.885 -8.141 1.00 0.00 N ATOM 0 H GLN A 58 5.209 18.796 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 58 4.579 21.248 -8.838 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.390 20.732 -6.444 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.109 20.413 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.651 22.545 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.578 22.820 -6.770 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.372 23.591 -8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.885 24.515 -8.503 1.00 0.00 H new ATOM 586 N TYR A 59 7.830 20.686 -8.764 1.00 0.00 N ATOM 587 CA TYR A 59 9.107 21.066 -9.364 1.00 0.00 C ATOM 588 C TYR A 59 9.047 20.957 -10.894 1.00 0.00 C ATOM 589 O TYR A 59 9.352 21.916 -11.594 1.00 0.00 O ATOM 590 CB TYR A 59 10.209 20.177 -8.774 1.00 0.00 C ATOM 591 CG TYR A 59 11.551 20.272 -9.462 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.503 21.231 -9.068 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.841 19.378 -10.506 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.740 21.301 -9.739 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.064 19.449 -11.188 1.00 0.00 C ATOM 596 CZ TYR A 59 14.023 20.412 -10.802 1.00 0.00 C ATOM 597 OH TYR A 59 15.216 20.487 -11.448 1.00 0.00 O ATOM 0 H TYR A 59 7.904 19.889 -8.132 1.00 0.00 H new ATOM 0 HA TYR A 59 9.330 22.108 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.339 20.436 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.874 19.140 -8.808 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.287 21.909 -8.256 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.115 18.629 -10.786 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.474 22.035 -9.441 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.272 18.772 -12.003 1.00 0.00 H new ATOM 0 HH TYR A 59 15.264 19.785 -12.130 1.00 0.00 H new ATOM 607 N ILE A 60 8.558 19.833 -11.423 1.00 0.00 N ATOM 608 CA ILE A 60 8.394 19.574 -12.862 1.00 0.00 C ATOM 609 C ILE A 60 7.435 20.591 -13.503 1.00 0.00 C ATOM 610 O ILE A 60 7.724 21.070 -14.599 1.00 0.00 O ATOM 611 CB ILE A 60 7.992 18.087 -13.051 1.00 0.00 C ATOM 612 CG1 ILE A 60 9.236 17.192 -12.807 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.378 17.777 -14.429 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.929 15.695 -12.677 1.00 0.00 C ATOM 0 H ILE A 60 8.254 19.050 -10.845 1.00 0.00 H new ATOM 0 HA ILE A 60 9.332 19.721 -13.397 1.00 0.00 H new ATOM 0 HB ILE A 60 7.209 17.874 -12.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.938 17.336 -13.629 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.736 17.527 -11.898 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.123 16.719 -14.484 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.477 18.375 -14.569 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.098 18.018 -15.211 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.856 15.147 -12.508 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.254 15.534 -11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.459 15.339 -13.594 1.00 0.00 H new ATOM 626 N MET A 61 6.369 21.019 -12.814 1.00 0.00 N ATOM 627 CA MET A 61 5.503 22.122 -13.266 1.00 0.00 C ATOM 628 C MET A 61 6.220 23.483 -13.282 1.00 0.00 C ATOM 629 O MET A 61 6.004 24.265 -14.207 1.00 0.00 O ATOM 630 CB MET A 61 4.232 22.225 -12.402 1.00 0.00 C ATOM 631 CG MET A 61 3.219 21.079 -12.510 1.00 0.00 C ATOM 632 SD MET A 61 2.501 20.807 -14.152 1.00 0.00 S ATOM 633 CE MET A 61 3.654 19.538 -14.725 1.00 0.00 C ATOM 0 H MET A 61 6.080 20.611 -11.925 1.00 0.00 H new ATOM 0 HA MET A 61 5.229 21.879 -14.293 1.00 0.00 H new ATOM 0 HB2 MET A 61 4.538 22.309 -11.359 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.722 23.153 -12.660 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.707 20.158 -12.191 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.408 21.270 -11.807 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.426 19.280 -15.759 1.00 0.00 H new ATOM 0 HE2 MET A 61 4.674 19.918 -14.662 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.558 18.650 -14.100 1.00 0.00 H new ATOM 643 N VAL A 62 7.083 23.780 -12.299 1.00 0.00 N ATOM 644 CA VAL A 62 7.801 25.075 -12.191 1.00 0.00 C ATOM 645 C VAL A 62 8.994 25.174 -13.139 1.00 0.00 C ATOM 646 O VAL A 62 9.312 26.253 -13.642 1.00 0.00 O ATOM 647 CB VAL A 62 8.218 25.332 -10.737 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.080 26.579 -10.514 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.970 25.507 -9.878 1.00 0.00 C ATOM 0 H VAL A 62 7.309 23.129 -11.547 1.00 0.00 H new ATOM 0 HA VAL A 62 7.106 25.856 -12.501 1.00 0.00 H new ATOM 0 HB VAL A 62 8.819 24.465 -10.465 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.320 26.670 -9.455 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.002 26.492 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.532 27.463 -10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.263 25.690 -8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.391 26.354 -10.246 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.364 24.603 -9.929 1.00 0.00 H new ATOM 659 N LYS A 63 9.635 24.034 -13.400 1.00 0.00 N ATOM 660 CA LYS A 63 10.770 23.892 -14.330 1.00 0.00 C ATOM 661 C LYS A 63 10.334 23.535 -15.759 1.00 0.00 C ATOM 662 O LYS A 63 11.128 23.674 -16.689 1.00 0.00 O ATOM 663 CB LYS A 63 11.795 22.879 -13.775 1.00 0.00 C ATOM 664 CG LYS A 63 12.375 23.176 -12.376 1.00 0.00 C ATOM 665 CD LYS A 63 12.630 24.660 -12.078 1.00 0.00 C ATOM 666 CE LYS A 63 13.416 24.811 -10.767 1.00 0.00 C ATOM 667 NZ LYS A 63 13.742 26.236 -10.476 1.00 0.00 N ATOM 0 H LYS A 63 9.375 23.152 -12.959 1.00 0.00 H new ATOM 0 HA LYS A 63 11.250 24.868 -14.404 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.322 21.897 -13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.624 22.813 -14.480 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.690 22.783 -11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.314 22.633 -12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.187 25.113 -12.898 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.681 25.192 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.833 24.397 -9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.338 24.233 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.272 26.295 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.320 26.625 -11.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.862 26.783 -10.393 1.00 0.00 H new ATOM 681 N GLN A 64 9.085 23.089 -15.933 1.00 0.00 N ATOM 682 CA GLN A 64 8.511 22.579 -17.181 1.00 0.00 C ATOM 683 C GLN A 64 9.365 21.466 -17.829 1.00 0.00 C ATOM 684 O GLN A 64 9.883 21.614 -18.938 1.00 0.00 O ATOM 685 CB GLN A 64 8.118 23.692 -18.177 1.00 0.00 C ATOM 686 CG GLN A 64 7.117 24.732 -17.649 1.00 0.00 C ATOM 687 CD GLN A 64 7.773 25.896 -16.907 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.733 26.511 -17.355 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.271 26.266 -15.752 1.00 0.00 N ATOM 0 H GLN A 64 8.413 23.074 -15.166 1.00 0.00 H new ATOM 0 HA GLN A 64 7.573 22.105 -16.892 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.024 24.212 -18.489 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.695 23.226 -19.067 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.540 25.125 -18.486 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.412 24.238 -16.980 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.472 25.768 -15.360 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.680 27.052 -15.246 1.00 0.00 H new ATOM 698 N LEU A 65 9.499 20.327 -17.135 1.00 0.00 N ATOM 699 CA LEU A 65 10.204 19.127 -17.628 1.00 0.00 C ATOM 700 C LEU A 65 9.250 18.140 -18.331 1.00 0.00 C ATOM 701 O LEU A 65 9.554 16.959 -18.482 1.00 0.00 O ATOM 702 CB LEU A 65 11.032 18.497 -16.500 1.00 0.00 C ATOM 703 CG LEU A 65 12.175 19.398 -15.997 1.00 0.00 C ATOM 704 CD1 LEU A 65 12.884 18.659 -14.876 1.00 0.00 C ATOM 705 CD2 LEU A 65 13.220 19.723 -17.070 1.00 0.00 C ATOM 0 H LEU A 65 9.115 20.208 -16.198 1.00 0.00 H new ATOM 0 HA LEU A 65 10.908 19.428 -18.404 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.372 18.261 -15.665 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.451 17.554 -16.851 1.00 0.00 H new ATOM 0 HG LEU A 65 11.729 20.341 -15.681 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.702 19.272 -14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.178 18.456 -14.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.282 17.718 -15.255 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.994 20.361 -16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.671 18.798 -17.431 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.740 20.241 -17.900 1.00 0.00 H new ATOM 717 N TYR A 66 8.080 18.628 -18.745 1.00 0.00 N ATOM 718 CA TYR A 66 7.004 17.878 -19.389 1.00 0.00 C ATOM 719 C TYR A 66 6.629 18.504 -20.741 1.00 0.00 C ATOM 720 O TYR A 66 6.882 19.691 -20.969 1.00 0.00 O ATOM 721 CB TYR A 66 5.795 17.810 -18.442 1.00 0.00 C ATOM 722 CG TYR A 66 5.086 19.143 -18.256 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.579 20.093 -17.339 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.959 19.451 -19.042 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.953 21.351 -17.223 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.329 20.705 -18.926 1.00 0.00 C ATOM 727 CZ TYR A 66 3.829 21.662 -18.016 1.00 0.00 C ATOM 728 OH TYR A 66 3.241 22.885 -17.897 1.00 0.00 O ATOM 0 H TYR A 66 7.846 19.614 -18.633 1.00 0.00 H new ATOM 0 HA TYR A 66 7.345 16.863 -19.594 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.083 17.081 -18.829 1.00 0.00 H new ATOM 0 HB3 TYR A 66 6.127 17.447 -17.469 1.00 0.00 H new ATOM 0 HD1 TYR A 66 6.436 19.857 -16.725 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.575 18.720 -19.739 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.336 22.080 -16.524 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.465 20.934 -19.532 1.00 0.00 H new ATOM 0 HH TYR A 66 2.480 22.943 -18.512 1.00 0.00 H new ATOM 738 N ASP A 67 6.005 17.732 -21.637 1.00 0.00 N ATOM 739 CA ASP A 67 5.475 18.284 -22.891 1.00 0.00 C ATOM 740 C ASP A 67 4.045 18.823 -22.701 1.00 0.00 C ATOM 741 O ASP A 67 3.160 18.100 -22.240 1.00 0.00 O ATOM 742 CB ASP A 67 5.544 17.261 -24.038 1.00 0.00 C ATOM 743 CG ASP A 67 5.590 17.951 -25.406 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.796 18.893 -25.623 1.00 0.00 O ATOM 745 OD2 ASP A 67 6.398 17.557 -26.277 1.00 0.00 O ATOM 0 H ASP A 67 5.855 16.730 -21.520 1.00 0.00 H new ATOM 0 HA ASP A 67 6.111 19.124 -23.172 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.428 16.635 -23.916 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.677 16.602 -23.991 1.00 0.00 H new ATOM 750 N GLN A 68 3.785 20.070 -23.110 1.00 0.00 N ATOM 751 CA GLN A 68 2.429 20.637 -23.140 1.00 0.00 C ATOM 752 C GLN A 68 1.461 19.885 -24.078 1.00 0.00 C ATOM 753 O GLN A 68 0.243 20.016 -23.944 1.00 0.00 O ATOM 754 CB GLN A 68 2.485 22.127 -23.529 1.00 0.00 C ATOM 755 CG GLN A 68 2.899 22.425 -24.988 1.00 0.00 C ATOM 756 CD GLN A 68 4.404 22.654 -25.155 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.901 23.763 -25.007 1.00 0.00 O ATOM 758 NE2 GLN A 68 5.205 21.649 -25.450 1.00 0.00 N ATOM 0 H GLN A 68 4.507 20.715 -23.430 1.00 0.00 H new ATOM 0 HA GLN A 68 2.031 20.524 -22.132 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.503 22.566 -23.353 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.184 22.631 -22.862 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.592 21.594 -25.623 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.363 23.307 -25.338 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.822 20.713 -25.580 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.208 21.808 -25.549 1.00 0.00 H new ATOM 767 N GLN A 69 1.986 19.126 -25.047 1.00 0.00 N ATOM 768 CA GLN A 69 1.196 18.403 -26.036 1.00 0.00 C ATOM 769 C GLN A 69 0.677 17.069 -25.470 1.00 0.00 C ATOM 770 O GLN A 69 -0.437 16.637 -25.770 1.00 0.00 O ATOM 771 CB GLN A 69 2.088 18.112 -27.253 1.00 0.00 C ATOM 772 CG GLN A 69 2.683 19.369 -27.901 1.00 0.00 C ATOM 773 CD GLN A 69 3.695 19.023 -28.988 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.420 19.081 -30.182 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.902 18.648 -28.621 1.00 0.00 N ATOM 0 H GLN A 69 2.991 18.998 -25.163 1.00 0.00 H new ATOM 0 HA GLN A 69 0.338 19.015 -26.314 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.901 17.453 -26.947 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.504 17.572 -27.999 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.881 19.971 -28.329 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.165 19.978 -27.136 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.141 18.596 -27.631 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.598 18.409 -29.327 1.00 0.00 H new ATOM 784 N GLU A 70 1.514 16.429 -24.647 1.00 0.00 N ATOM 785 CA GLU A 70 1.341 15.096 -24.065 1.00 0.00 C ATOM 786 C GLU A 70 2.005 15.041 -22.676 1.00 0.00 C ATOM 787 O GLU A 70 3.152 14.615 -22.527 1.00 0.00 O ATOM 788 CB GLU A 70 1.955 14.034 -25.000 1.00 0.00 C ATOM 789 CG GLU A 70 1.159 13.829 -26.293 1.00 0.00 C ATOM 790 CD GLU A 70 1.591 12.538 -27.013 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.069 11.447 -26.671 1.00 0.00 O ATOM 792 OE2 GLU A 70 2.448 12.601 -27.929 1.00 0.00 O ATOM 0 H GLU A 70 2.390 16.859 -24.350 1.00 0.00 H new ATOM 0 HA GLU A 70 0.277 14.887 -23.951 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.974 14.328 -25.252 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.019 13.085 -24.467 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.094 13.782 -26.064 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.306 14.684 -26.953 1.00 0.00 H new ATOM 799 N GLN A 71 1.280 15.468 -21.638 1.00 0.00 N ATOM 800 CA GLN A 71 1.804 15.638 -20.276 1.00 0.00 C ATOM 801 C GLN A 71 2.302 14.331 -19.625 1.00 0.00 C ATOM 802 O GLN A 71 3.055 14.381 -18.650 1.00 0.00 O ATOM 803 CB GLN A 71 0.736 16.305 -19.389 1.00 0.00 C ATOM 804 CG GLN A 71 0.393 17.756 -19.784 1.00 0.00 C ATOM 805 CD GLN A 71 -0.591 17.936 -20.945 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.080 17.003 -21.572 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.929 19.163 -21.278 1.00 0.00 N ATOM 0 H GLN A 71 0.293 15.710 -21.721 1.00 0.00 H new ATOM 0 HA GLN A 71 2.682 16.278 -20.362 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.174 15.707 -19.426 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.082 16.295 -18.355 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.017 18.260 -18.909 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.321 18.268 -20.041 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.535 19.956 -20.771 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.585 19.322 -22.043 1.00 0.00 H new ATOM 816 N HIS A 72 1.936 13.164 -20.179 1.00 0.00 N ATOM 817 CA HIS A 72 2.466 11.866 -19.748 1.00 0.00 C ATOM 818 C HIS A 72 3.974 11.697 -20.030 1.00 0.00 C ATOM 819 O HIS A 72 4.624 10.928 -19.321 1.00 0.00 O ATOM 820 CB HIS A 72 1.638 10.721 -20.365 1.00 0.00 C ATOM 821 CG HIS A 72 1.831 10.511 -21.848 1.00 0.00 C ATOM 822 ND1 HIS A 72 2.908 9.840 -22.433 1.00 0.00 N ATOM 823 CD2 HIS A 72 0.981 10.925 -22.833 1.00 0.00 C ATOM 824 CE1 HIS A 72 2.697 9.887 -23.758 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.543 10.521 -24.025 1.00 0.00 N ATOM 0 H HIS A 72 1.261 13.097 -20.941 1.00 0.00 H new ATOM 0 HA HIS A 72 2.369 11.825 -18.663 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.888 9.795 -19.848 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.582 10.916 -20.177 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.053 11.462 -22.704 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.361 9.474 -24.503 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.149 10.677 -24.953 1.00 0.00 H new ATOM 833 N MET A 73 4.535 12.431 -21.003 1.00 0.00 N ATOM 834 CA MET A 73 5.967 12.464 -21.330 1.00 0.00 C ATOM 835 C MET A 73 6.719 13.413 -20.386 1.00 0.00 C ATOM 836 O MET A 73 6.366 14.590 -20.264 1.00 0.00 O ATOM 837 CB MET A 73 6.140 12.898 -22.800 1.00 0.00 C ATOM 838 CG MET A 73 7.570 13.206 -23.284 1.00 0.00 C ATOM 839 SD MET A 73 8.556 11.824 -23.931 1.00 0.00 S ATOM 840 CE MET A 73 9.172 11.090 -22.399 1.00 0.00 C ATOM 0 H MET A 73 3.982 13.040 -21.606 1.00 0.00 H new ATOM 0 HA MET A 73 6.390 11.468 -21.199 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.732 12.111 -23.434 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.530 13.787 -22.963 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.505 13.965 -24.063 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.118 13.649 -22.452 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.969 10.383 -22.629 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.560 11.875 -21.750 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.359 10.569 -21.893 1.00 0.00 H new ATOM 850 N VAL A 74 7.803 12.920 -19.779 1.00 0.00 N ATOM 851 CA VAL A 74 8.672 13.659 -18.852 1.00 0.00 C ATOM 852 C VAL A 74 10.125 13.571 -19.336 1.00 0.00 C ATOM 853 O VAL A 74 10.743 12.504 -19.354 1.00 0.00 O ATOM 854 CB VAL A 74 8.529 13.143 -17.402 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.126 14.171 -16.435 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.069 12.897 -16.994 1.00 0.00 C ATOM 0 H VAL A 74 8.113 11.959 -19.924 1.00 0.00 H new ATOM 0 HA VAL A 74 8.364 14.704 -18.843 1.00 0.00 H new ATOM 0 HB VAL A 74 9.057 12.191 -17.355 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.026 13.809 -15.412 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.181 14.318 -16.666 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.596 15.118 -16.538 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.034 12.536 -15.966 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.508 13.828 -17.071 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.627 12.152 -17.655 1.00 0.00 H new ATOM 866 N TYR A 75 10.680 14.703 -19.766 1.00 0.00 N ATOM 867 CA TYR A 75 11.971 14.795 -20.453 1.00 0.00 C ATOM 868 C TYR A 75 13.121 15.120 -19.483 1.00 0.00 C ATOM 869 O TYR A 75 13.896 16.061 -19.677 1.00 0.00 O ATOM 870 CB TYR A 75 11.840 15.759 -21.643 1.00 0.00 C ATOM 871 CG TYR A 75 13.017 15.714 -22.601 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.273 14.540 -23.337 1.00 0.00 C ATOM 873 CD2 TYR A 75 13.863 16.831 -22.745 1.00 0.00 C ATOM 874 CE1 TYR A 75 14.373 14.480 -24.215 1.00 0.00 C ATOM 875 CE2 TYR A 75 14.966 16.775 -23.618 1.00 0.00 C ATOM 876 CZ TYR A 75 15.225 15.600 -24.357 1.00 0.00 C ATOM 877 OH TYR A 75 16.294 15.555 -25.201 1.00 0.00 O ATOM 0 H TYR A 75 10.231 15.611 -19.643 1.00 0.00 H new ATOM 0 HA TYR A 75 12.246 13.822 -20.861 1.00 0.00 H new ATOM 0 HB2 TYR A 75 10.928 15.523 -22.191 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.730 16.775 -21.265 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.624 13.684 -23.228 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.665 17.733 -22.184 1.00 0.00 H new ATOM 0 HE1 TYR A 75 14.566 13.579 -24.779 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.615 17.632 -23.723 1.00 0.00 H new ATOM 0 HH TYR A 75 16.768 16.412 -25.174 1.00 0.00 H new ATOM 887 N CYS A 76 13.241 14.339 -18.404 1.00 0.00 N ATOM 888 CA CYS A 76 14.301 14.535 -17.410 1.00 0.00 C ATOM 889 C CYS A 76 15.713 14.183 -17.916 1.00 0.00 C ATOM 890 O CYS A 76 16.682 14.476 -17.222 1.00 0.00 O ATOM 891 CB CYS A 76 13.959 13.816 -16.104 1.00 0.00 C ATOM 892 SG CYS A 76 12.687 14.765 -15.219 1.00 0.00 S ATOM 0 H CYS A 76 12.614 13.562 -18.197 1.00 0.00 H new ATOM 0 HA CYS A 76 14.340 15.606 -17.214 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.599 12.808 -16.312 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.851 13.715 -15.486 1.00 0.00 H new ATOM 0 HG CYS A 76 12.388 14.160 -14.108 1.00 0.00 H new ATOM 898 N GLY A 77 15.876 13.640 -19.129 1.00 0.00 N ATOM 899 CA GLY A 77 17.179 13.476 -19.789 1.00 0.00 C ATOM 900 C GLY A 77 17.939 14.802 -19.988 1.00 0.00 C ATOM 901 O GLY A 77 19.170 14.803 -20.022 1.00 0.00 O ATOM 0 H GLY A 77 15.095 13.297 -19.688 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.795 12.799 -19.197 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.029 13.003 -20.760 1.00 0.00 H new ATOM 905 N GLY A 78 17.218 15.931 -20.052 1.00 0.00 N ATOM 906 CA GLY A 78 17.770 17.296 -20.061 1.00 0.00 C ATOM 907 C GLY A 78 17.977 17.932 -18.672 1.00 0.00 C ATOM 908 O GLY A 78 18.363 19.099 -18.589 1.00 0.00 O ATOM 0 H GLY A 78 16.199 15.920 -20.101 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.728 17.280 -20.581 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.104 17.936 -20.640 1.00 0.00 H new ATOM 912 N ASP A 79 17.705 17.201 -17.586 1.00 0.00 N ATOM 913 CA ASP A 79 17.793 17.655 -16.189 1.00 0.00 C ATOM 914 C ASP A 79 18.978 17.016 -15.432 1.00 0.00 C ATOM 915 O ASP A 79 19.610 16.084 -15.928 1.00 0.00 O ATOM 916 CB ASP A 79 16.457 17.334 -15.493 1.00 0.00 C ATOM 917 CG ASP A 79 16.430 17.842 -14.046 1.00 0.00 C ATOM 918 OD1 ASP A 79 16.746 19.038 -13.842 1.00 0.00 O ATOM 919 OD2 ASP A 79 16.246 17.011 -13.129 1.00 0.00 O ATOM 0 H ASP A 79 17.403 16.229 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 79 17.978 18.729 -16.181 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.638 17.787 -16.052 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.292 16.257 -15.503 1.00 0.00 H new ATOM 924 N LEU A 80 19.240 17.466 -14.196 1.00 0.00 N ATOM 925 CA LEU A 80 20.154 16.873 -13.225 1.00 0.00 C ATOM 926 C LEU A 80 19.965 15.358 -13.106 1.00 0.00 C ATOM 927 O LEU A 80 20.937 14.607 -13.099 1.00 0.00 O ATOM 928 CB LEU A 80 19.827 17.543 -11.883 1.00 0.00 C ATOM 929 CG LEU A 80 20.672 17.053 -10.698 1.00 0.00 C ATOM 930 CD1 LEU A 80 22.181 17.162 -10.921 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.324 17.842 -9.437 1.00 0.00 C ATOM 0 H LEU A 80 18.789 18.305 -13.831 1.00 0.00 H new ATOM 0 HA LEU A 80 21.188 17.030 -13.533 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.962 18.620 -11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.774 17.375 -11.655 1.00 0.00 H new ATOM 0 HG LEU A 80 20.429 15.996 -10.591 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.707 16.796 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 80 22.465 16.564 -11.787 1.00 0.00 H new ATOM 0 HD13 LEU A 80 22.449 18.204 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.930 17.484 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.524 18.900 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.269 17.705 -9.202 1.00 0.00 H new ATOM 943 N LEU A 81 18.703 14.922 -13.070 1.00 0.00 N ATOM 944 CA LEU A 81 18.321 13.499 -13.098 1.00 0.00 C ATOM 945 C LEU A 81 18.921 12.758 -14.315 1.00 0.00 C ATOM 946 O LEU A 81 19.438 11.640 -14.214 1.00 0.00 O ATOM 947 CB LEU A 81 16.783 13.406 -13.146 1.00 0.00 C ATOM 948 CG LEU A 81 16.066 13.752 -11.834 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.552 13.740 -12.042 1.00 0.00 C ATOM 950 CD2 LEU A 81 16.393 12.769 -10.706 1.00 0.00 C ATOM 0 H LEU A 81 17.903 15.553 -13.020 1.00 0.00 H new ATOM 0 HA LEU A 81 18.714 13.021 -12.201 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.419 14.073 -13.927 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.505 12.393 -13.437 1.00 0.00 H new ATOM 0 HG LEU A 81 16.417 14.743 -11.546 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.054 13.987 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.283 14.475 -12.800 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.238 12.749 -12.370 1.00 0.00 H new ATOM 0 HD21 LEU A 81 15.859 13.062 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.087 11.765 -10.999 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.466 12.780 -10.513 1.00 0.00 H new ATOM 962 N GLY A 82 18.864 13.408 -15.473 1.00 0.00 N ATOM 963 CA GLY A 82 19.376 12.929 -16.747 1.00 0.00 C ATOM 964 C GLY A 82 20.900 12.981 -16.876 1.00 0.00 C ATOM 965 O GLY A 82 21.466 12.074 -17.478 1.00 0.00 O ATOM 0 H GLY A 82 18.437 14.331 -15.549 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.046 11.901 -16.894 1.00 0.00 H new ATOM 0 HA3 GLY A 82 18.935 13.522 -17.548 1.00 0.00 H new ATOM 969 N GLU A 83 21.593 13.944 -16.259 1.00 0.00 N ATOM 970 CA GLU A 83 23.066 13.924 -16.164 1.00 0.00 C ATOM 971 C GLU A 83 23.527 12.768 -15.272 1.00 0.00 C ATOM 972 O GLU A 83 24.475 12.045 -15.589 1.00 0.00 O ATOM 973 CB GLU A 83 23.613 15.216 -15.539 1.00 0.00 C ATOM 974 CG GLU A 83 22.883 16.470 -15.977 1.00 0.00 C ATOM 975 CD GLU A 83 23.684 17.743 -15.643 1.00 0.00 C ATOM 976 OE1 GLU A 83 23.556 18.278 -14.515 1.00 0.00 O ATOM 977 OE2 GLU A 83 24.454 18.223 -16.512 1.00 0.00 O ATOM 0 H GLU A 83 21.159 14.753 -15.814 1.00 0.00 H new ATOM 0 HA GLU A 83 23.441 13.814 -17.182 1.00 0.00 H new ATOM 0 HB2 GLU A 83 23.556 15.135 -14.454 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.668 15.314 -15.796 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.699 16.427 -17.050 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.910 16.514 -15.488 1.00 0.00 H new ATOM 984 N LEU A 84 22.810 12.600 -14.156 1.00 0.00 N ATOM 985 CA LEU A 84 23.040 11.570 -13.152 1.00 0.00 C ATOM 986 C LEU A 84 22.925 10.152 -13.746 1.00 0.00 C ATOM 987 O LEU A 84 23.847 9.355 -13.557 1.00 0.00 O ATOM 988 CB LEU A 84 22.068 11.841 -11.986 1.00 0.00 C ATOM 989 CG LEU A 84 21.914 10.691 -10.989 1.00 0.00 C ATOM 990 CD1 LEU A 84 23.198 10.411 -10.208 1.00 0.00 C ATOM 991 CD2 LEU A 84 20.795 11.011 -10.001 1.00 0.00 C ATOM 0 H LEU A 84 22.023 13.205 -13.923 1.00 0.00 H new ATOM 0 HA LEU A 84 24.062 11.614 -12.775 1.00 0.00 H new ATOM 0 HB2 LEU A 84 22.409 12.725 -11.447 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.087 12.077 -12.399 1.00 0.00 H new ATOM 0 HG LEU A 84 21.676 9.799 -11.569 1.00 0.00 H new ATOM 0 HD11 LEU A 84 23.030 9.586 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 84 23.996 10.146 -10.902 1.00 0.00 H new ATOM 0 HD13 LEU A 84 23.485 11.301 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.689 10.189 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.037 11.926 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.859 11.146 -10.543 1.00 0.00 H new ATOM 1003 N LEU A 85 21.837 9.828 -14.469 1.00 0.00 N ATOM 1004 CA LEU A 85 21.653 8.477 -15.039 1.00 0.00 C ATOM 1005 C LEU A 85 22.083 8.327 -16.513 1.00 0.00 C ATOM 1006 O LEU A 85 22.174 7.209 -17.015 1.00 0.00 O ATOM 1007 CB LEU A 85 20.201 8.003 -14.794 1.00 0.00 C ATOM 1008 CG LEU A 85 20.059 6.707 -13.962 1.00 0.00 C ATOM 1009 CD1 LEU A 85 20.794 5.507 -14.561 1.00 0.00 C ATOM 1010 CD2 LEU A 85 20.508 6.905 -12.515 1.00 0.00 C ATOM 0 H LEU A 85 21.076 10.477 -14.672 1.00 0.00 H new ATOM 0 HA LEU A 85 22.342 7.820 -14.509 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.657 8.801 -14.289 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.719 7.850 -15.759 1.00 0.00 H new ATOM 0 HG LEU A 85 18.993 6.482 -13.983 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.649 4.636 -13.923 1.00 0.00 H new ATOM 0 HD12 LEU A 85 20.400 5.298 -15.555 1.00 0.00 H new ATOM 0 HD13 LEU A 85 21.858 5.731 -14.632 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.391 5.970 -11.967 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.555 7.208 -12.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.898 7.678 -12.047 1.00 0.00 H new ATOM 1022 N GLY A 86 22.311 9.421 -17.241 1.00 0.00 N ATOM 1023 CA GLY A 86 22.701 9.441 -18.662 1.00 0.00 C ATOM 1024 C GLY A 86 21.551 9.286 -19.676 1.00 0.00 C ATOM 1025 O GLY A 86 21.726 9.637 -20.845 1.00 0.00 O ATOM 0 H GLY A 86 22.227 10.358 -16.846 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.215 10.381 -18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.421 8.641 -18.833 1.00 0.00 H new ATOM 1029 N ARG A 87 20.376 8.782 -19.250 1.00 0.00 N ATOM 1030 CA ARG A 87 19.203 8.509 -20.120 1.00 0.00 C ATOM 1031 C ARG A 87 17.828 8.739 -19.483 1.00 0.00 C ATOM 1032 O ARG A 87 16.828 8.243 -19.993 1.00 0.00 O ATOM 1033 CB ARG A 87 19.336 7.092 -20.738 1.00 0.00 C ATOM 1034 CG ARG A 87 18.759 5.904 -19.933 1.00 0.00 C ATOM 1035 CD ARG A 87 19.354 5.666 -18.534 1.00 0.00 C ATOM 1036 NE ARG A 87 20.791 5.323 -18.569 1.00 0.00 N ATOM 1037 CZ ARG A 87 21.358 4.179 -18.913 1.00 0.00 C ATOM 1038 NH1 ARG A 87 20.674 3.150 -19.327 1.00 0.00 N ATOM 1039 NH2 ARG A 87 22.651 4.051 -18.838 1.00 0.00 N ATOM 0 H ARG A 87 20.207 8.547 -18.272 1.00 0.00 H new ATOM 0 HA ARG A 87 19.231 9.264 -20.906 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.851 7.104 -21.714 1.00 0.00 H new ATOM 0 HB3 ARG A 87 20.395 6.899 -20.911 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.685 6.055 -19.825 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.896 4.996 -20.520 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.214 6.562 -17.929 1.00 0.00 H new ATOM 0 HD3 ARG A 87 18.806 4.861 -18.044 1.00 0.00 H new ATOM 0 HE ARG A 87 21.430 6.068 -18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 87 19.658 3.207 -19.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.155 2.287 -19.582 1.00 0.00 H new ATOM 0 HH21 ARG A 87 23.223 4.831 -18.515 1.00 0.00 H new ATOM 0 HH22 ARG A 87 23.092 3.170 -19.102 1.00 0.00 H new ATOM 1053 N GLN A 88 17.764 9.489 -18.381 1.00 0.00 N ATOM 1054 CA GLN A 88 16.590 9.596 -17.496 1.00 0.00 C ATOM 1055 C GLN A 88 15.322 10.300 -18.049 1.00 0.00 C ATOM 1056 O GLN A 88 14.683 11.054 -17.324 1.00 0.00 O ATOM 1057 CB GLN A 88 17.045 10.154 -16.126 1.00 0.00 C ATOM 1058 CG GLN A 88 16.233 9.680 -14.902 1.00 0.00 C ATOM 1059 CD GLN A 88 16.655 8.315 -14.357 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.040 7.418 -15.090 1.00 0.00 O ATOM 1061 NE2 GLN A 88 16.623 8.123 -13.047 1.00 0.00 N ATOM 0 H GLN A 88 18.549 10.058 -18.065 1.00 0.00 H new ATOM 0 HA GLN A 88 16.214 8.577 -17.398 1.00 0.00 H new ATOM 0 HB2 GLN A 88 18.089 9.881 -15.973 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.003 11.242 -16.167 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.329 10.421 -14.108 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.178 9.639 -15.174 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.302 8.869 -12.430 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.919 7.229 -12.655 1.00 0.00 H new ATOM 1070 N SER A 89 14.932 10.080 -19.307 1.00 0.00 N ATOM 1071 CA SER A 89 13.619 10.506 -19.840 1.00 0.00 C ATOM 1072 C SER A 89 12.652 9.323 -19.799 1.00 0.00 C ATOM 1073 O SER A 89 13.047 8.173 -20.013 1.00 0.00 O ATOM 1074 CB SER A 89 13.687 11.073 -21.253 1.00 0.00 C ATOM 1075 OG SER A 89 14.452 12.265 -21.253 1.00 0.00 O ATOM 0 H SER A 89 15.514 9.600 -19.993 1.00 0.00 H new ATOM 0 HA SER A 89 13.267 11.318 -19.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.134 10.343 -21.927 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.682 11.275 -21.623 1.00 0.00 H new ATOM 0 HG SER A 89 14.062 12.904 -21.886 1.00 0.00 H new ATOM 1081 N PHE A 90 11.382 9.600 -19.516 1.00 0.00 N ATOM 1082 CA PHE A 90 10.380 8.572 -19.209 1.00 0.00 C ATOM 1083 C PHE A 90 8.942 9.051 -19.406 1.00 0.00 C ATOM 1084 O PHE A 90 8.658 10.247 -19.433 1.00 0.00 O ATOM 1085 CB PHE A 90 10.572 8.122 -17.750 1.00 0.00 C ATOM 1086 CG PHE A 90 10.374 9.221 -16.719 1.00 0.00 C ATOM 1087 CD1 PHE A 90 11.465 10.015 -16.310 1.00 0.00 C ATOM 1088 CD2 PHE A 90 9.102 9.446 -16.159 1.00 0.00 C ATOM 1089 CE1 PHE A 90 11.295 10.995 -15.317 1.00 0.00 C ATOM 1090 CE2 PHE A 90 8.928 10.449 -15.190 1.00 0.00 C ATOM 1091 CZ PHE A 90 10.026 11.212 -14.756 1.00 0.00 C ATOM 0 H PHE A 90 11.012 10.550 -19.492 1.00 0.00 H new ATOM 0 HA PHE A 90 10.533 7.748 -19.906 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.873 7.313 -17.538 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.576 7.714 -17.638 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.435 9.870 -16.762 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.260 8.848 -16.474 1.00 0.00 H new ATOM 0 HE1 PHE A 90 12.140 11.581 -14.986 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.947 10.634 -14.777 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.894 11.964 -13.992 1.00 0.00 H new ATOM 1101 N SER A 91 8.028 8.088 -19.488 1.00 0.00 N ATOM 1102 CA SER A 91 6.594 8.322 -19.631 1.00 0.00 C ATOM 1103 C SER A 91 5.815 7.598 -18.528 1.00 0.00 C ATOM 1104 O SER A 91 6.104 6.454 -18.177 1.00 0.00 O ATOM 1105 CB SER A 91 6.152 7.897 -21.031 1.00 0.00 C ATOM 1106 OG SER A 91 6.522 8.884 -21.982 1.00 0.00 O ATOM 0 H SER A 91 8.270 7.098 -19.456 1.00 0.00 H new ATOM 0 HA SER A 91 6.379 9.384 -19.517 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.609 6.942 -21.290 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.072 7.749 -21.050 1.00 0.00 H new ATOM 0 HG SER A 91 6.236 8.601 -22.875 1.00 0.00 H new ATOM 1112 N VAL A 92 4.826 8.277 -17.940 1.00 0.00 N ATOM 1113 CA VAL A 92 4.115 7.802 -16.729 1.00 0.00 C ATOM 1114 C VAL A 92 3.072 6.702 -16.994 1.00 0.00 C ATOM 1115 O VAL A 92 2.595 6.072 -16.049 1.00 0.00 O ATOM 1116 CB VAL A 92 3.475 8.971 -15.956 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.488 10.050 -15.561 1.00 0.00 C ATOM 1118 CG2 VAL A 92 2.380 9.647 -16.777 1.00 0.00 C ATOM 0 H VAL A 92 4.488 9.176 -18.284 1.00 0.00 H new ATOM 0 HA VAL A 92 4.889 7.342 -16.114 1.00 0.00 H new ATOM 0 HB VAL A 92 3.060 8.522 -15.053 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.978 10.847 -15.020 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.256 9.612 -14.924 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.951 10.460 -16.458 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.949 10.467 -16.203 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.806 10.036 -17.702 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.602 8.921 -17.013 1.00 0.00 H new ATOM 1128 N LYS A 93 2.728 6.439 -18.267 1.00 0.00 N ATOM 1129 CA LYS A 93 1.775 5.387 -18.686 1.00 0.00 C ATOM 1130 C LYS A 93 2.379 3.972 -18.674 1.00 0.00 C ATOM 1131 O LYS A 93 1.652 2.981 -18.744 1.00 0.00 O ATOM 1132 CB LYS A 93 1.185 5.742 -20.066 1.00 0.00 C ATOM 1133 CG LYS A 93 2.226 5.678 -21.197 1.00 0.00 C ATOM 1134 CD LYS A 93 1.603 5.910 -22.576 1.00 0.00 C ATOM 1135 CE LYS A 93 2.689 5.707 -23.641 1.00 0.00 C ATOM 1136 NZ LYS A 93 2.130 5.775 -25.019 1.00 0.00 N ATOM 0 H LYS A 93 3.112 6.962 -19.054 1.00 0.00 H new ATOM 0 HA LYS A 93 0.974 5.361 -17.947 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.367 5.058 -20.293 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.760 6.745 -20.027 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.998 6.427 -21.019 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.716 4.705 -21.182 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.777 5.218 -22.740 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.192 6.917 -22.641 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.460 6.468 -23.523 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.170 4.740 -23.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.894 5.633 -25.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.412 5.033 -25.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.694 6.707 -25.171 1.00 0.00 H new ATOM 1150 N ASP A 94 3.705 3.892 -18.580 1.00 0.00 N ATOM 1151 CA ASP A 94 4.532 2.687 -18.544 1.00 0.00 C ATOM 1152 C ASP A 94 5.336 2.671 -17.222 1.00 0.00 C ATOM 1153 O ASP A 94 6.488 3.102 -17.180 1.00 0.00 O ATOM 1154 CB ASP A 94 5.340 2.559 -19.851 1.00 0.00 C ATOM 1155 CG ASP A 94 6.158 3.792 -20.286 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.546 4.751 -20.814 1.00 0.00 O ATOM 1157 OD2 ASP A 94 7.411 3.754 -20.234 1.00 0.00 O ATOM 0 H ASP A 94 4.275 4.736 -18.522 1.00 0.00 H new ATOM 0 HA ASP A 94 3.936 1.775 -18.522 1.00 0.00 H new ATOM 0 HB2 ASP A 94 6.024 1.717 -19.746 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.648 2.309 -20.655 1.00 0.00 H new ATOM 1162 N PRO A 95 4.712 2.236 -16.104 1.00 0.00 N ATOM 1163 CA PRO A 95 5.278 2.367 -14.759 1.00 0.00 C ATOM 1164 C PRO A 95 6.460 1.431 -14.465 1.00 0.00 C ATOM 1165 O PRO A 95 7.319 1.800 -13.670 1.00 0.00 O ATOM 1166 CB PRO A 95 4.108 2.123 -13.799 1.00 0.00 C ATOM 1167 CG PRO A 95 3.169 1.224 -14.599 1.00 0.00 C ATOM 1168 CD PRO A 95 3.330 1.782 -16.010 1.00 0.00 C ATOM 0 HA PRO A 95 5.717 3.358 -14.643 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.438 1.640 -12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.623 3.056 -13.513 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.458 0.175 -14.539 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.140 1.292 -14.247 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.118 1.019 -16.759 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.636 2.604 -16.187 1.00 0.00 H new ATOM 1176 N SER A 96 6.569 0.259 -15.102 1.00 0.00 N ATOM 1177 CA SER A 96 7.666 -0.698 -14.848 1.00 0.00 C ATOM 1178 C SER A 96 9.077 -0.115 -15.066 1.00 0.00 C ATOM 1179 O SER A 96 9.898 -0.206 -14.148 1.00 0.00 O ATOM 1180 CB SER A 96 7.498 -1.979 -15.674 1.00 0.00 C ATOM 1181 OG SER A 96 6.248 -2.594 -15.389 1.00 0.00 O ATOM 0 H SER A 96 5.904 -0.057 -15.807 1.00 0.00 H new ATOM 0 HA SER A 96 7.587 -0.935 -13.787 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.561 -1.745 -16.737 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.310 -2.671 -15.452 1.00 0.00 H new ATOM 0 HG SER A 96 6.155 -3.409 -15.925 1.00 0.00 H new ATOM 1187 N PRO A 97 9.397 0.531 -16.211 1.00 0.00 N ATOM 1188 CA PRO A 97 10.696 1.183 -16.395 1.00 0.00 C ATOM 1189 C PRO A 97 10.899 2.411 -15.484 1.00 0.00 C ATOM 1190 O PRO A 97 12.031 2.707 -15.100 1.00 0.00 O ATOM 1191 CB PRO A 97 10.766 1.554 -17.883 1.00 0.00 C ATOM 1192 CG PRO A 97 9.300 1.662 -18.298 1.00 0.00 C ATOM 1193 CD PRO A 97 8.646 0.571 -17.461 1.00 0.00 C ATOM 0 HA PRO A 97 11.503 0.509 -16.107 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.296 2.494 -18.037 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.291 0.794 -18.461 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.886 2.646 -18.078 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.166 1.491 -19.366 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.595 0.794 -17.279 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.684 -0.391 -17.972 1.00 0.00 H new ATOM 1201 N LEU A 98 9.824 3.098 -15.075 1.00 0.00 N ATOM 1202 CA LEU A 98 9.867 4.202 -14.114 1.00 0.00 C ATOM 1203 C LEU A 98 10.227 3.691 -12.701 1.00 0.00 C ATOM 1204 O LEU A 98 11.098 4.257 -12.034 1.00 0.00 O ATOM 1205 CB LEU A 98 8.519 4.951 -14.229 1.00 0.00 C ATOM 1206 CG LEU A 98 8.158 5.916 -13.091 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.143 7.073 -12.956 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.772 6.514 -13.334 1.00 0.00 C ATOM 0 H LEU A 98 8.882 2.896 -15.411 1.00 0.00 H new ATOM 0 HA LEU A 98 10.661 4.916 -14.333 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.523 5.514 -15.162 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.725 4.209 -14.308 1.00 0.00 H new ATOM 0 HG LEU A 98 8.187 5.327 -12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.834 7.720 -12.135 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.140 6.681 -12.754 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.160 7.646 -13.883 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.523 7.198 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.771 7.057 -14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.033 5.714 -13.374 1.00 0.00 H new ATOM 1220 N TYR A 99 9.651 2.563 -12.275 1.00 0.00 N ATOM 1221 CA TYR A 99 10.017 1.883 -11.035 1.00 0.00 C ATOM 1222 C TYR A 99 11.479 1.415 -11.026 1.00 0.00 C ATOM 1223 O TYR A 99 12.101 1.483 -9.972 1.00 0.00 O ATOM 1224 CB TYR A 99 9.074 0.696 -10.780 1.00 0.00 C ATOM 1225 CG TYR A 99 7.601 0.992 -10.527 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.177 2.174 -9.878 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.644 0.023 -10.894 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.809 2.388 -9.616 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.277 0.233 -10.632 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.853 1.419 -9.995 1.00 0.00 C ATOM 1231 OH TYR A 99 3.528 1.614 -9.745 1.00 0.00 O ATOM 0 H TYR A 99 8.908 2.092 -12.791 1.00 0.00 H new ATOM 0 HA TYR A 99 9.912 2.610 -10.230 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.137 0.029 -11.640 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.456 0.145 -9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.904 2.916 -9.582 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.963 -0.887 -11.380 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.490 3.295 -9.124 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.552 -0.514 -10.919 1.00 0.00 H new ATOM 0 HH TYR A 99 3.016 0.846 -10.075 1.00 0.00 H new ATOM 1241 N ASP A 100 12.067 1.009 -12.157 1.00 0.00 N ATOM 1242 CA ASP A 100 13.489 0.623 -12.223 1.00 0.00 C ATOM 1243 C ASP A 100 14.430 1.793 -11.885 1.00 0.00 C ATOM 1244 O ASP A 100 15.323 1.661 -11.046 1.00 0.00 O ATOM 1245 CB ASP A 100 13.814 0.073 -13.615 1.00 0.00 C ATOM 1246 CG ASP A 100 15.226 -0.535 -13.652 1.00 0.00 C ATOM 1247 OD1 ASP A 100 15.394 -1.709 -13.246 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.181 0.160 -14.076 1.00 0.00 O ATOM 0 H ASP A 100 11.578 0.938 -13.049 1.00 0.00 H new ATOM 0 HA ASP A 100 13.653 -0.150 -11.472 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.081 -0.685 -13.891 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.739 0.872 -14.352 1.00 0.00 H new ATOM 1253 N MET A 101 14.178 2.963 -12.484 1.00 0.00 N ATOM 1254 CA MET A 101 14.872 4.221 -12.160 1.00 0.00 C ATOM 1255 C MET A 101 14.696 4.600 -10.684 1.00 0.00 C ATOM 1256 O MET A 101 15.662 4.933 -10.000 1.00 0.00 O ATOM 1257 CB MET A 101 14.294 5.368 -12.991 1.00 0.00 C ATOM 1258 CG MET A 101 14.488 5.253 -14.506 1.00 0.00 C ATOM 1259 SD MET A 101 13.803 6.633 -15.486 1.00 0.00 S ATOM 1260 CE MET A 101 12.510 7.282 -14.387 1.00 0.00 C ATOM 0 H MET A 101 13.477 3.067 -13.218 1.00 0.00 H new ATOM 0 HA MET A 101 15.928 4.065 -12.378 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.226 5.440 -12.784 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.747 6.300 -12.655 1.00 0.00 H new ATOM 0 HG2 MET A 101 15.555 5.175 -14.714 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.029 4.325 -14.845 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.698 7.695 -14.985 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.126 6.476 -13.761 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.929 8.065 -13.755 1.00 0.00 H new ATOM 1270 N LEU A 102 13.460 4.543 -10.177 1.00 0.00 N ATOM 1271 CA LEU A 102 13.143 4.895 -8.790 1.00 0.00 C ATOM 1272 C LEU A 102 13.755 3.912 -7.786 1.00 0.00 C ATOM 1273 O LEU A 102 14.345 4.372 -6.817 1.00 0.00 O ATOM 1274 CB LEU A 102 11.620 5.067 -8.644 1.00 0.00 C ATOM 1275 CG LEU A 102 11.112 6.499 -8.924 1.00 0.00 C ATOM 1276 CD1 LEU A 102 11.689 7.173 -10.171 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.592 6.459 -9.055 1.00 0.00 C ATOM 0 H LEU A 102 12.648 4.250 -10.720 1.00 0.00 H new ATOM 0 HA LEU A 102 13.607 5.851 -8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.121 4.378 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.329 4.782 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 102 11.452 7.100 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.266 8.172 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.773 7.245 -10.077 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.440 6.582 -11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.217 7.463 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.315 5.800 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.157 6.086 -8.128 1.00 0.00 H new ATOM 1289 N ARG A 103 13.788 2.600 -8.052 1.00 0.00 N ATOM 1290 CA ARG A 103 14.527 1.617 -7.223 1.00 0.00 C ATOM 1291 C ARG A 103 16.019 1.952 -7.066 1.00 0.00 C ATOM 1292 O ARG A 103 16.626 1.567 -6.068 1.00 0.00 O ATOM 1293 CB ARG A 103 14.348 0.192 -7.778 1.00 0.00 C ATOM 1294 CG ARG A 103 13.294 -0.595 -6.989 1.00 0.00 C ATOM 1295 CD ARG A 103 11.870 -0.036 -7.123 1.00 0.00 C ATOM 1296 NE ARG A 103 10.919 -0.792 -6.288 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.616 -0.607 -6.177 1.00 0.00 C ATOM 1298 NH1 ARG A 103 8.988 0.348 -6.803 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.925 -1.402 -5.415 1.00 0.00 N ATOM 0 H ARG A 103 13.305 2.182 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 103 14.092 1.672 -6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.054 0.244 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.301 -0.336 -7.740 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.300 -1.631 -7.327 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.573 -0.602 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.860 1.014 -6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.556 -0.079 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 103 11.314 -1.548 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.504 0.988 -7.407 1.00 0.00 H new ATOM 0 HH12 ARG A 103 7.980 0.456 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.390 -2.158 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.918 -1.270 -5.320 1.00 0.00 H new ATOM 1313 N LYS A 104 16.583 2.696 -8.024 1.00 0.00 N ATOM 1314 CA LYS A 104 17.968 3.195 -8.031 1.00 0.00 C ATOM 1315 C LYS A 104 18.130 4.610 -7.439 1.00 0.00 C ATOM 1316 O LYS A 104 19.268 4.990 -7.162 1.00 0.00 O ATOM 1317 CB LYS A 104 18.519 3.095 -9.468 1.00 0.00 C ATOM 1318 CG LYS A 104 18.655 1.630 -9.920 1.00 0.00 C ATOM 1319 CD LYS A 104 18.837 1.507 -11.438 1.00 0.00 C ATOM 1320 CE LYS A 104 18.943 0.021 -11.801 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.834 -0.204 -13.266 1.00 0.00 N ATOM 0 H LYS A 104 16.065 2.981 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 104 18.556 2.564 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.857 3.627 -10.151 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.491 3.585 -9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.506 1.173 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.768 1.074 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.995 1.964 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.734 2.039 -11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.895 -0.372 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 104 18.157 -0.534 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.045 -1.199 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.869 0.021 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.512 0.409 -13.763 1.00 0.00 H new ATOM 1335 N ASN A 105 17.049 5.385 -7.227 1.00 0.00 N ATOM 1336 CA ASN A 105 17.155 6.803 -6.801 1.00 0.00 C ATOM 1337 C ASN A 105 16.261 7.239 -5.607 1.00 0.00 C ATOM 1338 O ASN A 105 16.559 8.244 -4.961 1.00 0.00 O ATOM 1339 CB ASN A 105 16.920 7.689 -8.057 1.00 0.00 C ATOM 1340 CG ASN A 105 17.701 8.995 -8.057 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.801 9.104 -7.546 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.177 10.025 -8.683 1.00 0.00 N ATOM 0 H ASN A 105 16.090 5.057 -7.343 1.00 0.00 H new ATOM 0 HA ASN A 105 18.156 6.935 -6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.190 7.118 -8.946 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.857 7.915 -8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.691 10.904 -8.737 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.256 9.945 -9.115 1.00 0.00 H new ATOM 1349 N LEU A 106 15.188 6.506 -5.287 1.00 0.00 N ATOM 1350 CA LEU A 106 14.118 6.883 -4.348 1.00 0.00 C ATOM 1351 C LEU A 106 13.726 5.779 -3.338 1.00 0.00 C ATOM 1352 O LEU A 106 13.304 4.692 -3.722 1.00 0.00 O ATOM 1353 CB LEU A 106 12.890 7.276 -5.206 1.00 0.00 C ATOM 1354 CG LEU A 106 11.606 7.639 -4.432 1.00 0.00 C ATOM 1355 CD1 LEU A 106 11.827 8.769 -3.431 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.515 8.083 -5.401 1.00 0.00 C ATOM 0 H LEU A 106 15.032 5.585 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 106 14.484 7.703 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.166 8.126 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.663 6.448 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 106 11.311 6.741 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.892 8.985 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.583 8.469 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.164 9.661 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.614 8.337 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.855 8.957 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.295 7.273 -6.097 1.00 0.00 H new