USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 41 HIS : no HD1:sc= -4.49! C(o=-9.8!,f=-14!) USER MOD Set 1.2: A 45 HIS : no HE2:sc= -5.19! C(o=-9.8!,f=-16!) USER MOD Set 1.3: A 51 SER OG : rot 180:sc= -0.0757 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= -0.126 (180deg=-0.845) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.9!) USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.767 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -5.49! C(o=-5.5!,f=-11!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.5!) USER MOD Single : A 39 SER OG : rot -16:sc= 0.238! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.1 (180deg=-1.23!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.58) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -153:sc= -5.07! (180deg=-5.72!) USER MOD Single : A 61 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -15! C(o=-15!,f=-20!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= 0.028 (180deg=0.00448) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 72.467 -3.093 -14.536 1.00 0.00 N ATOM 37 CA THR A 3 72.219 -3.048 -15.998 1.00 0.00 C ATOM 38 C THR A 3 72.355 -1.603 -16.498 1.00 0.00 C ATOM 39 O THR A 3 72.843 -0.738 -15.800 1.00 0.00 O ATOM 40 CB THR A 3 70.819 -3.621 -16.302 1.00 0.00 C ATOM 41 OG1 THR A 3 70.903 -4.478 -17.432 1.00 0.00 O ATOM 42 CG2 THR A 3 69.804 -2.507 -16.591 1.00 0.00 C ATOM 0 HA THR A 3 72.956 -3.658 -16.521 1.00 0.00 H new ATOM 0 HB THR A 3 70.479 -4.172 -15.425 1.00 0.00 H new ATOM 0 HG1 THR A 3 70.017 -4.847 -17.629 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.830 -2.948 -16.801 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.726 -1.851 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.134 -1.929 -17.454 1.00 0.00 H new ATOM 50 N LYS A 4 71.931 -1.342 -17.704 1.00 0.00 N ATOM 51 CA LYS A 4 72.037 0.039 -18.251 1.00 0.00 C ATOM 52 C LYS A 4 71.491 1.048 -17.238 1.00 0.00 C ATOM 53 O LYS A 4 72.235 1.684 -16.519 1.00 0.00 O ATOM 54 CB LYS A 4 71.234 0.135 -19.551 1.00 0.00 C ATOM 55 CG LYS A 4 72.178 0.452 -20.712 1.00 0.00 C ATOM 56 CD LYS A 4 71.607 1.609 -21.534 1.00 0.00 C ATOM 57 CE LYS A 4 71.253 1.113 -22.937 1.00 0.00 C ATOM 58 NZ LYS A 4 72.480 0.593 -23.603 1.00 0.00 N ATOM 0 H LYS A 4 71.515 -2.027 -18.335 1.00 0.00 H new ATOM 0 HA LYS A 4 73.085 0.265 -18.449 1.00 0.00 H new ATOM 0 HB2 LYS A 4 70.712 -0.803 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.473 0.911 -19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.165 0.715 -20.331 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.304 -0.428 -21.342 1.00 0.00 H new ATOM 0 HD2 LYS A 4 70.721 2.013 -21.045 1.00 0.00 H new ATOM 0 HD3 LYS A 4 72.334 2.419 -21.596 1.00 0.00 H new ATOM 0 HE2 LYS A 4 70.498 0.329 -22.878 1.00 0.00 H new ATOM 0 HE3 LYS A 4 70.824 1.925 -23.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 72.456 0.836 -24.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 73.321 1.020 -23.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 72.521 -0.441 -23.497 1.00 0.00 H new ATOM 72 N GLU A 5 70.195 1.213 -17.184 1.00 0.00 N ATOM 73 CA GLU A 5 69.611 2.193 -16.230 1.00 0.00 C ATOM 74 C GLU A 5 69.328 1.522 -14.894 1.00 0.00 C ATOM 75 O GLU A 5 68.580 2.017 -14.075 1.00 0.00 O ATOM 76 CB GLU A 5 68.314 2.749 -16.801 1.00 0.00 C ATOM 77 CG GLU A 5 68.508 4.218 -17.180 1.00 0.00 C ATOM 78 CD GLU A 5 67.172 4.957 -17.065 1.00 0.00 C ATOM 79 OE1 GLU A 5 66.839 5.370 -15.967 1.00 0.00 O ATOM 80 OE2 GLU A 5 66.506 5.094 -18.077 1.00 0.00 O ATOM 0 H GLU A 5 69.519 0.711 -17.760 1.00 0.00 H new ATOM 0 HA GLU A 5 70.323 3.004 -16.077 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.014 2.174 -17.677 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.512 2.655 -16.068 1.00 0.00 H new ATOM 0 HG2 GLU A 5 69.248 4.679 -16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 5 68.891 4.294 -18.198 1.00 0.00 H new ATOM 87 N GLU A 6 69.935 0.409 -14.671 1.00 0.00 N ATOM 88 CA GLU A 6 69.735 -0.313 -13.387 1.00 0.00 C ATOM 89 C GLU A 6 70.719 0.212 -12.354 1.00 0.00 C ATOM 90 O GLU A 6 70.824 -0.284 -11.250 1.00 0.00 O ATOM 91 CB GLU A 6 69.975 -1.796 -13.602 1.00 0.00 C ATOM 92 CG GLU A 6 68.661 -2.478 -13.989 1.00 0.00 C ATOM 93 CD GLU A 6 67.816 -2.706 -12.734 1.00 0.00 C ATOM 94 OE1 GLU A 6 68.330 -2.485 -11.650 1.00 0.00 O ATOM 95 OE2 GLU A 6 66.669 -3.096 -12.879 1.00 0.00 O ATOM 0 H GLU A 6 70.571 -0.045 -15.326 1.00 0.00 H new ATOM 0 HA GLU A 6 68.716 -0.155 -13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.718 -1.945 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 6 70.376 -2.245 -12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.114 -1.860 -14.701 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.864 -3.429 -14.482 1.00 0.00 H new ATOM 102 N LYS A 7 71.429 1.219 -12.722 1.00 0.00 N ATOM 103 CA LYS A 7 72.425 1.828 -11.803 1.00 0.00 C ATOM 104 C LYS A 7 72.584 3.316 -12.127 1.00 0.00 C ATOM 105 O LYS A 7 72.797 4.131 -11.251 1.00 0.00 O ATOM 106 CB LYS A 7 73.772 1.121 -11.962 1.00 0.00 C ATOM 107 CG LYS A 7 74.282 1.308 -13.393 1.00 0.00 C ATOM 108 CD LYS A 7 75.225 2.511 -13.447 1.00 0.00 C ATOM 109 CE LYS A 7 76.675 2.024 -13.454 1.00 0.00 C ATOM 110 NZ LYS A 7 77.265 2.235 -14.806 1.00 0.00 N ATOM 0 H LYS A 7 71.367 1.662 -13.639 1.00 0.00 H new ATOM 0 HA LYS A 7 72.079 1.718 -10.775 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.493 1.526 -11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.666 0.059 -11.738 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.802 0.410 -13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.443 1.460 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.025 3.103 -14.340 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.053 3.160 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 7 77.254 2.564 -12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.716 0.968 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.251 1.904 -14.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 76.717 1.701 -15.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.239 3.248 -15.042 1.00 0.00 H new ATOM 124 N GLN A 8 72.484 3.679 -13.377 1.00 0.00 N ATOM 125 CA GLN A 8 72.632 5.114 -13.750 1.00 0.00 C ATOM 126 C GLN A 8 71.716 5.968 -12.870 1.00 0.00 C ATOM 127 O GLN A 8 72.029 7.094 -12.539 1.00 0.00 O ATOM 128 CB GLN A 8 72.246 5.301 -15.219 1.00 0.00 C ATOM 129 CG GLN A 8 73.512 5.449 -16.065 1.00 0.00 C ATOM 130 CD GLN A 8 73.284 4.822 -17.441 1.00 0.00 C ATOM 131 OE1 GLN A 8 72.616 3.814 -17.559 1.00 0.00 O ATOM 132 NE2 GLN A 8 73.814 5.380 -18.495 1.00 0.00 N ATOM 0 H GLN A 8 72.306 3.044 -14.155 1.00 0.00 H new ATOM 0 HA GLN A 8 73.667 5.422 -13.603 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.663 4.447 -15.564 1.00 0.00 H new ATOM 0 HB3 GLN A 8 71.616 6.183 -15.331 1.00 0.00 H new ATOM 0 HG2 GLN A 8 73.769 6.503 -16.172 1.00 0.00 H new ATOM 0 HG3 GLN A 8 74.353 4.965 -15.568 1.00 0.00 H new ATOM 0 HE21 GLN A 8 74.375 6.226 -18.396 1.00 0.00 H new ATOM 0 HE22 GLN A 8 73.667 4.970 -19.417 1.00 0.00 H new ATOM 141 N LYS A 9 70.584 5.443 -12.493 1.00 0.00 N ATOM 142 CA LYS A 9 69.646 6.222 -11.643 1.00 0.00 C ATOM 143 C LYS A 9 70.159 6.253 -10.201 1.00 0.00 C ATOM 144 O LYS A 9 69.981 7.222 -9.490 1.00 0.00 O ATOM 145 CB LYS A 9 68.267 5.563 -11.676 1.00 0.00 C ATOM 146 CG LYS A 9 68.396 4.093 -11.270 1.00 0.00 C ATOM 147 CD LYS A 9 67.015 3.535 -10.923 1.00 0.00 C ATOM 148 CE LYS A 9 67.042 2.009 -11.026 1.00 0.00 C ATOM 149 NZ LYS A 9 66.863 1.417 -9.671 1.00 0.00 N ATOM 0 H LYS A 9 70.268 4.505 -12.739 1.00 0.00 H new ATOM 0 HA LYS A 9 69.576 7.241 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.588 6.081 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.839 5.639 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.838 3.518 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 69.063 3.999 -10.413 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.731 3.837 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.265 3.943 -11.601 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.251 1.665 -11.692 1.00 0.00 H new ATOM 0 HE3 LYS A 9 67.988 1.679 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 66.881 0.379 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.633 1.736 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.950 1.722 -9.277 1.00 0.00 H new ATOM 163 N VAL A 10 70.787 5.198 -9.761 1.00 0.00 N ATOM 164 CA VAL A 10 71.302 5.161 -8.365 1.00 0.00 C ATOM 165 C VAL A 10 72.337 6.268 -8.160 1.00 0.00 C ATOM 166 O VAL A 10 72.268 7.029 -7.217 1.00 0.00 O ATOM 167 CB VAL A 10 71.949 3.802 -8.096 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.546 3.789 -6.688 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.890 2.702 -8.209 1.00 0.00 C ATOM 0 H VAL A 10 70.966 4.358 -10.311 1.00 0.00 H new ATOM 0 HA VAL A 10 70.473 5.315 -7.674 1.00 0.00 H new ATOM 0 HB VAL A 10 72.738 3.626 -8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.007 2.820 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.300 4.572 -6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.757 3.966 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.350 1.733 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.101 2.880 -7.478 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.464 2.709 -9.212 1.00 0.00 H new ATOM 179 N ILE A 11 73.300 6.355 -9.031 1.00 0.00 N ATOM 180 CA ILE A 11 74.343 7.404 -8.882 1.00 0.00 C ATOM 181 C ILE A 11 73.761 8.756 -9.264 1.00 0.00 C ATOM 182 O ILE A 11 73.934 9.745 -8.586 1.00 0.00 O ATOM 183 CB ILE A 11 75.554 7.067 -9.766 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.479 7.723 -11.160 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.665 5.551 -9.926 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.551 6.926 -12.068 1.00 0.00 C ATOM 0 H ILE A 11 73.410 5.744 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 11 74.675 7.444 -7.844 1.00 0.00 H new ATOM 0 HB ILE A 11 76.436 7.468 -9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.118 8.748 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.475 7.774 -11.600 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.524 5.313 -10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.792 5.090 -8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.758 5.167 -10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.507 7.399 -13.049 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.929 5.909 -12.173 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.552 6.898 -11.633 1.00 0.00 H new ATOM 198 N GLN A 12 73.080 8.783 -10.358 1.00 0.00 N ATOM 199 CA GLN A 12 72.456 10.053 -10.840 1.00 0.00 C ATOM 200 C GLN A 12 71.924 10.817 -9.631 1.00 0.00 C ATOM 201 O GLN A 12 71.985 12.028 -9.560 1.00 0.00 O ATOM 202 CB GLN A 12 71.303 9.731 -11.794 1.00 0.00 C ATOM 203 CG GLN A 12 71.813 9.751 -13.235 1.00 0.00 C ATOM 204 CD GLN A 12 71.609 11.146 -13.831 1.00 0.00 C ATOM 205 OE1 GLN A 12 70.667 11.832 -13.489 1.00 0.00 O ATOM 206 NE2 GLN A 12 72.458 11.596 -14.714 1.00 0.00 N ATOM 0 H GLN A 12 72.920 7.973 -10.957 1.00 0.00 H new ATOM 0 HA GLN A 12 73.194 10.656 -11.370 1.00 0.00 H new ATOM 0 HB2 GLN A 12 70.885 8.752 -11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.501 10.459 -11.671 1.00 0.00 H new ATOM 0 HG2 GLN A 12 72.869 9.484 -13.262 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.281 9.009 -13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 12 73.249 11.020 -15.001 1.00 0.00 H new ATOM 0 HE22 GLN A 12 72.331 12.524 -15.117 1.00 0.00 H new ATOM 215 N GLU A 13 71.437 10.095 -8.661 1.00 0.00 N ATOM 216 CA GLU A 13 70.933 10.739 -7.427 1.00 0.00 C ATOM 217 C GLU A 13 72.088 10.828 -6.429 1.00 0.00 C ATOM 218 O GLU A 13 72.229 11.791 -5.701 1.00 0.00 O ATOM 219 CB GLU A 13 69.799 9.901 -6.832 1.00 0.00 C ATOM 220 CG GLU A 13 68.475 10.292 -7.490 1.00 0.00 C ATOM 221 CD GLU A 13 67.784 11.369 -6.651 1.00 0.00 C ATOM 222 OE1 GLU A 13 67.376 11.058 -5.545 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.676 12.486 -7.129 1.00 0.00 O ATOM 0 H GLU A 13 71.368 9.077 -8.675 1.00 0.00 H new ATOM 0 HA GLU A 13 70.551 11.735 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.996 8.840 -6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 13 69.742 10.059 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 13 68.654 10.662 -8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 13 67.830 9.418 -7.581 1.00 0.00 H new ATOM 230 N PHE A 14 72.918 9.818 -6.398 1.00 0.00 N ATOM 231 CA PHE A 14 74.071 9.813 -5.466 1.00 0.00 C ATOM 232 C PHE A 14 75.275 10.490 -6.126 1.00 0.00 C ATOM 233 O PHE A 14 75.691 11.560 -5.729 1.00 0.00 O ATOM 234 CB PHE A 14 74.430 8.368 -5.116 1.00 0.00 C ATOM 235 CG PHE A 14 73.521 7.874 -4.017 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.155 7.694 -4.267 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.043 7.597 -2.750 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.311 7.235 -3.248 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.200 7.138 -1.730 1.00 0.00 C ATOM 240 CZ PHE A 14 71.834 6.958 -1.980 1.00 0.00 C ATOM 0 H PHE A 14 72.840 8.990 -6.988 1.00 0.00 H new ATOM 0 HA PHE A 14 73.805 10.357 -4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.330 7.734 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.470 8.308 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 14 71.752 7.909 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.096 7.737 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.258 7.095 -3.441 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.603 6.923 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.184 6.605 -1.193 1.00 0.00 H new ATOM 250 N ALA A 15 75.841 9.873 -7.129 1.00 0.00 N ATOM 251 CA ALA A 15 77.016 10.480 -7.808 1.00 0.00 C ATOM 252 C ALA A 15 76.617 11.818 -8.427 1.00 0.00 C ATOM 253 O ALA A 15 75.668 11.906 -9.179 1.00 0.00 O ATOM 254 CB ALA A 15 77.508 9.546 -8.913 1.00 0.00 C ATOM 0 H ALA A 15 75.538 8.975 -7.505 1.00 0.00 H new ATOM 0 HA ALA A 15 77.810 10.636 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.369 9.992 -9.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 77.795 8.588 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 15 76.711 9.390 -9.640 1.00 0.00 H new ATOM 260 N ARG A 16 77.341 12.860 -8.128 1.00 0.00 N ATOM 261 CA ARG A 16 77.003 14.183 -8.717 1.00 0.00 C ATOM 262 C ARG A 16 77.819 14.377 -9.991 1.00 0.00 C ATOM 263 O ARG A 16 78.156 15.481 -10.370 1.00 0.00 O ATOM 264 CB ARG A 16 77.323 15.295 -7.716 1.00 0.00 C ATOM 265 CG ARG A 16 78.718 15.069 -7.128 1.00 0.00 C ATOM 266 CD ARG A 16 78.591 14.627 -5.669 1.00 0.00 C ATOM 267 NE ARG A 16 78.436 15.826 -4.798 1.00 0.00 N ATOM 268 CZ ARG A 16 79.374 16.143 -3.949 1.00 0.00 C ATOM 269 NH1 ARG A 16 79.840 15.242 -3.126 1.00 0.00 N ATOM 270 NH2 ARG A 16 79.846 17.359 -3.921 1.00 0.00 N ATOM 0 H ARG A 16 78.148 12.852 -7.504 1.00 0.00 H new ATOM 0 HA ARG A 16 75.939 14.222 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 16 77.278 16.266 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.579 15.307 -6.920 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.249 14.311 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.304 15.986 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.732 13.966 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.473 14.060 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 16 77.595 16.400 -4.866 1.00 0.00 H new ATOM 0 HH11 ARG A 16 79.470 14.292 -3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 16 80.574 15.489 -2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 16 79.481 18.062 -4.563 1.00 0.00 H new ATOM 0 HH22 ARG A 16 80.580 17.606 -3.257 1.00 0.00 H new ATOM 284 N PHE A 17 78.139 13.301 -10.649 1.00 0.00 N ATOM 285 CA PHE A 17 78.936 13.393 -11.902 1.00 0.00 C ATOM 286 C PHE A 17 78.898 12.038 -12.607 1.00 0.00 C ATOM 287 O PHE A 17 78.477 11.055 -12.031 1.00 0.00 O ATOM 288 CB PHE A 17 80.383 13.748 -11.548 1.00 0.00 C ATOM 289 CG PHE A 17 80.573 15.245 -11.627 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.276 15.929 -12.812 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.048 15.948 -10.514 1.00 0.00 C ATOM 292 CE1 PHE A 17 80.452 17.316 -12.884 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.226 17.335 -10.585 1.00 0.00 C ATOM 294 CZ PHE A 17 80.929 18.019 -11.770 1.00 0.00 C ATOM 0 H PHE A 17 77.881 12.354 -10.371 1.00 0.00 H new ATOM 0 HA PHE A 17 78.524 14.161 -12.557 1.00 0.00 H new ATOM 0 HB2 PHE A 17 80.620 13.394 -10.545 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.068 13.248 -12.232 1.00 0.00 H new ATOM 0 HD1 PHE A 17 79.911 15.386 -13.671 1.00 0.00 H new ATOM 0 HD2 PHE A 17 81.277 15.420 -9.600 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.220 17.844 -13.797 1.00 0.00 H new ATOM 0 HE2 PHE A 17 81.592 17.877 -9.726 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.068 19.089 -11.825 1.00 0.00 H new ATOM 304 N PRO A 18 79.353 12.020 -13.830 1.00 0.00 N ATOM 305 CA PRO A 18 79.396 10.790 -14.633 1.00 0.00 C ATOM 306 C PRO A 18 80.530 9.890 -14.137 1.00 0.00 C ATOM 307 O PRO A 18 80.741 8.802 -14.633 1.00 0.00 O ATOM 308 CB PRO A 18 79.649 11.295 -16.056 1.00 0.00 C ATOM 309 CG PRO A 18 80.276 12.701 -15.912 1.00 0.00 C ATOM 310 CD PRO A 18 79.872 13.219 -14.522 1.00 0.00 C ATOM 0 HA PRO A 18 78.488 10.191 -14.572 1.00 0.00 H new ATOM 0 HB2 PRO A 18 80.319 10.624 -16.594 1.00 0.00 H new ATOM 0 HB3 PRO A 18 78.720 11.340 -16.624 1.00 0.00 H new ATOM 0 HG2 PRO A 18 81.361 12.654 -16.008 1.00 0.00 H new ATOM 0 HG3 PRO A 18 79.915 13.369 -16.695 1.00 0.00 H new ATOM 0 HD2 PRO A 18 80.723 13.648 -13.993 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.114 13.999 -14.592 1.00 0.00 H new ATOM 318 N GLY A 19 81.256 10.340 -13.147 1.00 0.00 N ATOM 319 CA GLY A 19 82.370 9.522 -12.599 1.00 0.00 C ATOM 320 C GLY A 19 82.350 9.600 -11.069 1.00 0.00 C ATOM 321 O GLY A 19 83.212 9.064 -10.402 1.00 0.00 O ATOM 0 H GLY A 19 81.122 11.244 -12.694 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.270 8.486 -12.923 1.00 0.00 H new ATOM 0 HA3 GLY A 19 83.325 9.884 -12.981 1.00 0.00 H new ATOM 325 N ASP A 20 81.369 10.261 -10.501 1.00 0.00 N ATOM 326 CA ASP A 20 81.304 10.363 -9.019 1.00 0.00 C ATOM 327 C ASP A 20 80.485 9.206 -8.463 1.00 0.00 C ATOM 328 O ASP A 20 79.999 9.240 -7.350 1.00 0.00 O ATOM 329 CB ASP A 20 80.670 11.695 -8.614 1.00 0.00 C ATOM 330 CG ASP A 20 81.765 12.746 -8.423 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.763 12.665 -9.120 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.587 13.612 -7.583 1.00 0.00 O ATOM 0 H ASP A 20 80.615 10.731 -11.003 1.00 0.00 H new ATOM 0 HA ASP A 20 82.314 10.316 -8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 20 79.967 12.023 -9.380 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.103 11.574 -7.691 1.00 0.00 H new ATOM 337 N THR A 21 80.356 8.177 -9.234 1.00 0.00 N ATOM 338 CA THR A 21 79.596 6.977 -8.784 1.00 0.00 C ATOM 339 C THR A 21 80.583 5.985 -8.185 1.00 0.00 C ATOM 340 O THR A 21 80.230 5.142 -7.384 1.00 0.00 O ATOM 341 CB THR A 21 78.882 6.336 -9.976 1.00 0.00 C ATOM 342 OG1 THR A 21 78.587 4.980 -9.672 1.00 0.00 O ATOM 343 CG2 THR A 21 79.783 6.396 -11.209 1.00 0.00 C ATOM 0 H THR A 21 80.748 8.108 -10.173 1.00 0.00 H new ATOM 0 HA THR A 21 78.850 7.263 -8.043 1.00 0.00 H new ATOM 0 HB THR A 21 77.958 6.877 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.588 4.452 -10.498 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.272 5.939 -12.056 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.012 7.436 -11.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.709 5.856 -11.010 1.00 0.00 H new ATOM 351 N GLY A 22 81.827 6.097 -8.557 1.00 0.00 N ATOM 352 CA GLY A 22 82.854 5.179 -7.999 1.00 0.00 C ATOM 353 C GLY A 22 83.319 5.730 -6.652 1.00 0.00 C ATOM 354 O GLY A 22 84.064 5.094 -5.932 1.00 0.00 O ATOM 0 H GLY A 22 82.176 6.785 -9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.440 4.178 -7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.697 5.093 -8.684 1.00 0.00 H new ATOM 358 N SER A 23 82.880 6.912 -6.304 1.00 0.00 N ATOM 359 CA SER A 23 83.294 7.505 -5.002 1.00 0.00 C ATOM 360 C SER A 23 82.802 6.614 -3.859 1.00 0.00 C ATOM 361 O SER A 23 81.874 5.844 -4.016 1.00 0.00 O ATOM 362 CB SER A 23 82.687 8.901 -4.862 1.00 0.00 C ATOM 363 OG SER A 23 83.657 9.874 -5.227 1.00 0.00 O ATOM 0 H SER A 23 82.254 7.490 -6.865 1.00 0.00 H new ATOM 0 HA SER A 23 84.381 7.578 -4.963 1.00 0.00 H new ATOM 0 HB2 SER A 23 81.806 8.993 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.358 9.066 -3.836 1.00 0.00 H new ATOM 0 HG SER A 23 83.270 10.770 -5.140 1.00 0.00 H new ATOM 369 N THR A 24 83.415 6.708 -2.711 1.00 0.00 N ATOM 370 CA THR A 24 82.981 5.863 -1.563 1.00 0.00 C ATOM 371 C THR A 24 81.564 6.259 -1.140 1.00 0.00 C ATOM 372 O THR A 24 80.882 5.524 -0.454 1.00 0.00 O ATOM 373 CB THR A 24 83.937 6.067 -0.386 1.00 0.00 C ATOM 374 OG1 THR A 24 85.190 5.471 -0.689 1.00 0.00 O ATOM 375 CG2 THR A 24 83.348 5.419 0.867 1.00 0.00 C ATOM 0 H THR A 24 84.197 7.333 -2.518 1.00 0.00 H new ATOM 0 HA THR A 24 82.991 4.815 -1.864 1.00 0.00 H new ATOM 0 HB THR A 24 84.077 7.133 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.805 5.602 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.029 5.564 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.386 5.878 1.096 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.208 4.352 0.693 1.00 0.00 H new ATOM 383 N GLU A 25 81.116 7.416 -1.543 1.00 0.00 N ATOM 384 CA GLU A 25 79.747 7.859 -1.164 1.00 0.00 C ATOM 385 C GLU A 25 78.714 7.031 -1.931 1.00 0.00 C ATOM 386 O GLU A 25 77.931 6.305 -1.351 1.00 0.00 O ATOM 387 CB GLU A 25 79.581 9.337 -1.519 1.00 0.00 C ATOM 388 CG GLU A 25 80.142 10.201 -0.389 1.00 0.00 C ATOM 389 CD GLU A 25 79.309 11.478 -0.259 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.337 12.277 -1.180 1.00 0.00 O ATOM 391 OE2 GLU A 25 78.657 11.635 0.761 1.00 0.00 O ATOM 0 H GLU A 25 81.641 8.074 -2.119 1.00 0.00 H new ATOM 0 HA GLU A 25 79.599 7.721 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.100 9.558 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.528 9.567 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.125 9.647 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.183 10.453 -0.592 1.00 0.00 H new ATOM 398 N VAL A 26 78.708 7.134 -3.231 1.00 0.00 N ATOM 399 CA VAL A 26 77.730 6.355 -4.037 1.00 0.00 C ATOM 400 C VAL A 26 77.842 4.873 -3.675 1.00 0.00 C ATOM 401 O VAL A 26 76.874 4.140 -3.721 1.00 0.00 O ATOM 402 CB VAL A 26 78.028 6.553 -5.527 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.311 5.478 -6.347 1.00 0.00 C ATOM 404 CG2 VAL A 26 77.532 7.935 -5.960 1.00 0.00 C ATOM 0 H VAL A 26 79.340 7.726 -3.770 1.00 0.00 H new ATOM 0 HA VAL A 26 76.718 6.701 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 26 79.102 6.476 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.526 5.624 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.659 4.492 -6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.236 5.551 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 26 77.742 8.081 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 26 76.458 8.006 -5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.043 8.703 -5.380 1.00 0.00 H new ATOM 414 N GLN A 27 79.013 4.425 -3.313 1.00 0.00 N ATOM 415 CA GLN A 27 79.177 2.992 -2.948 1.00 0.00 C ATOM 416 C GLN A 27 78.405 2.711 -1.663 1.00 0.00 C ATOM 417 O GLN A 27 77.622 1.789 -1.594 1.00 0.00 O ATOM 418 CB GLN A 27 80.660 2.676 -2.743 1.00 0.00 C ATOM 419 CG GLN A 27 81.381 2.703 -4.091 1.00 0.00 C ATOM 420 CD GLN A 27 82.882 2.886 -3.863 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.371 3.997 -3.812 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.641 1.832 -3.723 1.00 0.00 N ATOM 0 H GLN A 27 79.861 4.989 -3.255 1.00 0.00 H new ATOM 0 HA GLN A 27 78.790 2.364 -3.750 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.107 3.403 -2.065 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.773 1.696 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.195 1.776 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 27 80.994 3.515 -4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.231 0.899 -3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 27 84.644 1.942 -3.571 1.00 0.00 H new ATOM 431 N VAL A 28 78.603 3.503 -0.647 1.00 0.00 N ATOM 432 CA VAL A 28 77.850 3.272 0.613 1.00 0.00 C ATOM 433 C VAL A 28 76.381 3.075 0.249 1.00 0.00 C ATOM 434 O VAL A 28 75.666 2.328 0.880 1.00 0.00 O ATOM 435 CB VAL A 28 78.005 4.490 1.528 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.024 4.391 2.696 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.436 4.539 2.069 1.00 0.00 C ATOM 0 H VAL A 28 79.248 4.293 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 28 78.229 2.394 1.136 1.00 0.00 H new ATOM 0 HB VAL A 28 77.795 5.396 0.959 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.140 5.261 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.004 4.357 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.228 3.485 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.549 5.405 2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.643 3.630 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.137 4.616 1.238 1.00 0.00 H new ATOM 447 N ALA A 29 75.929 3.724 -0.789 1.00 0.00 N ATOM 448 CA ALA A 29 74.516 3.545 -1.205 1.00 0.00 C ATOM 449 C ALA A 29 74.355 2.128 -1.742 1.00 0.00 C ATOM 450 O ALA A 29 73.424 1.427 -1.401 1.00 0.00 O ATOM 451 CB ALA A 29 74.160 4.557 -2.296 1.00 0.00 C ATOM 0 H ALA A 29 76.476 4.366 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 29 73.852 3.705 -0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.121 4.419 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.295 5.568 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.809 4.406 -3.158 1.00 0.00 H new ATOM 457 N LEU A 30 75.266 1.693 -2.569 1.00 0.00 N ATOM 458 CA LEU A 30 75.171 0.316 -3.102 1.00 0.00 C ATOM 459 C LEU A 30 75.356 -0.668 -1.941 1.00 0.00 C ATOM 460 O LEU A 30 75.089 -1.847 -2.061 1.00 0.00 O ATOM 461 CB LEU A 30 76.250 0.105 -4.179 1.00 0.00 C ATOM 462 CG LEU A 30 77.551 -0.412 -3.552 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.560 -1.941 -3.584 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.744 0.120 -4.346 1.00 0.00 C ATOM 0 H LEU A 30 76.067 2.234 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 30 74.197 0.149 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.893 -0.606 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.440 1.044 -4.699 1.00 0.00 H new ATOM 0 HG LEU A 30 77.618 -0.070 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.484 -2.309 -3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.709 -2.322 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.493 -2.284 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.669 -0.247 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.676 -0.223 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.738 1.210 -4.325 1.00 0.00 H new ATOM 476 N LEU A 31 75.813 -0.184 -0.813 1.00 0.00 N ATOM 477 CA LEU A 31 76.015 -1.075 0.353 1.00 0.00 C ATOM 478 C LEU A 31 74.633 -1.484 0.872 1.00 0.00 C ATOM 479 O LEU A 31 74.439 -2.559 1.402 1.00 0.00 O ATOM 480 CB LEU A 31 76.808 -0.322 1.443 1.00 0.00 C ATOM 481 CG LEU A 31 75.853 0.322 2.448 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.445 -0.715 3.497 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.540 1.499 3.140 1.00 0.00 C ATOM 0 H LEU A 31 76.054 0.795 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 31 76.582 -1.963 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.476 -1.012 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.433 0.444 0.983 1.00 0.00 H new ATOM 0 HG LEU A 31 74.969 0.682 1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.764 -0.258 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.948 -1.552 3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.333 -1.075 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.853 1.952 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.428 1.145 3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.830 2.240 2.395 1.00 0.00 H new ATOM 495 N THR A 32 73.675 -0.610 0.715 1.00 0.00 N ATOM 496 CA THR A 32 72.295 -0.901 1.185 1.00 0.00 C ATOM 497 C THR A 32 71.650 -1.931 0.253 1.00 0.00 C ATOM 498 O THR A 32 71.000 -2.859 0.688 1.00 0.00 O ATOM 499 CB THR A 32 71.486 0.409 1.189 1.00 0.00 C ATOM 500 OG1 THR A 32 70.519 0.362 2.227 1.00 0.00 O ATOM 501 CG2 THR A 32 70.779 0.616 -0.156 1.00 0.00 C ATOM 0 H THR A 32 73.794 0.303 0.276 1.00 0.00 H new ATOM 0 HA THR A 32 72.315 -1.311 2.195 1.00 0.00 H new ATOM 0 HB THR A 32 72.171 1.241 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.004 1.196 2.232 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.214 1.548 -0.130 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.521 0.664 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 32 70.100 -0.216 -0.342 1.00 0.00 H new ATOM 509 N LEU A 33 71.826 -1.767 -1.029 1.00 0.00 N ATOM 510 CA LEU A 33 71.227 -2.729 -1.995 1.00 0.00 C ATOM 511 C LEU A 33 71.676 -4.152 -1.648 1.00 0.00 C ATOM 512 O LEU A 33 70.870 -5.019 -1.381 1.00 0.00 O ATOM 513 CB LEU A 33 71.683 -2.382 -3.413 1.00 0.00 C ATOM 514 CG LEU A 33 71.195 -3.457 -4.385 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.669 -3.403 -4.485 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.804 -3.205 -5.767 1.00 0.00 C ATOM 0 H LEU A 33 72.360 -1.007 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 33 70.140 -2.668 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.290 -1.408 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.770 -2.311 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 33 71.500 -4.439 -4.023 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.322 -4.170 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.233 -3.579 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.363 -2.422 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.458 -3.970 -6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.497 -2.223 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.891 -3.243 -5.698 1.00 0.00 H new ATOM 528 N ARG A 34 72.958 -4.398 -1.653 1.00 0.00 N ATOM 529 CA ARG A 34 73.458 -5.765 -1.328 1.00 0.00 C ATOM 530 C ARG A 34 72.871 -6.226 0.009 1.00 0.00 C ATOM 531 O ARG A 34 72.836 -7.403 0.309 1.00 0.00 O ATOM 532 CB ARG A 34 74.986 -5.737 -1.229 1.00 0.00 C ATOM 533 CG ARG A 34 75.563 -5.029 -2.457 1.00 0.00 C ATOM 534 CD ARG A 34 76.724 -5.851 -3.020 1.00 0.00 C ATOM 535 NE ARG A 34 76.463 -6.160 -4.453 1.00 0.00 N ATOM 536 CZ ARG A 34 76.087 -7.360 -4.804 1.00 0.00 C ATOM 537 NH1 ARG A 34 75.013 -7.886 -4.282 1.00 0.00 N ATOM 538 NH2 ARG A 34 76.786 -8.035 -5.677 1.00 0.00 N ATOM 0 H ARG A 34 73.681 -3.712 -1.868 1.00 0.00 H new ATOM 0 HA ARG A 34 73.153 -6.457 -2.114 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.293 -5.220 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.376 -6.753 -1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.790 -4.905 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 34 75.907 -4.031 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.658 -5.298 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.839 -6.775 -2.453 1.00 0.00 H new ATOM 0 HE ARG A 34 76.578 -5.434 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.467 -7.360 -3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.719 -8.823 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.626 -7.625 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 34 76.492 -8.972 -5.951 1.00 0.00 H new ATOM 552 N ILE A 35 72.411 -5.309 0.814 1.00 0.00 N ATOM 553 CA ILE A 35 71.831 -5.680 2.123 1.00 0.00 C ATOM 554 C ILE A 35 70.417 -6.227 1.904 1.00 0.00 C ATOM 555 O ILE A 35 70.061 -7.282 2.389 1.00 0.00 O ATOM 556 CB ILE A 35 71.812 -4.415 2.999 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.884 -4.534 4.079 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.447 -4.215 3.656 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.068 -3.644 3.706 1.00 0.00 C ATOM 0 H ILE A 35 72.415 -4.309 0.613 1.00 0.00 H new ATOM 0 HA ILE A 35 72.418 -6.453 2.619 1.00 0.00 H new ATOM 0 HB ILE A 35 72.012 -3.553 2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.479 -4.236 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.208 -5.570 4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.466 -3.313 4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.683 -4.114 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.216 -5.075 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.839 -3.723 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.476 -3.964 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.736 -2.609 3.631 1.00 0.00 H new ATOM 571 N ASN A 36 69.611 -5.500 1.185 1.00 0.00 N ATOM 572 CA ASN A 36 68.215 -5.950 0.930 1.00 0.00 C ATOM 573 C ASN A 36 68.221 -7.282 0.176 1.00 0.00 C ATOM 574 O ASN A 36 67.428 -8.161 0.450 1.00 0.00 O ATOM 575 CB ASN A 36 67.487 -4.896 0.093 1.00 0.00 C ATOM 576 CG ASN A 36 67.578 -3.537 0.790 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.769 -3.467 1.987 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.447 -2.446 0.087 1.00 0.00 N ATOM 0 H ASN A 36 69.860 -4.607 0.760 1.00 0.00 H new ATOM 0 HA ASN A 36 67.704 -6.083 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.930 -4.837 -0.901 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.443 -5.179 -0.039 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.505 -1.535 0.543 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.287 -2.503 -0.919 1.00 0.00 H new ATOM 585 N ARG A 37 69.103 -7.442 -0.775 1.00 0.00 N ATOM 586 CA ARG A 37 69.143 -8.718 -1.539 1.00 0.00 C ATOM 587 C ARG A 37 69.961 -9.759 -0.783 1.00 0.00 C ATOM 588 O ARG A 37 70.272 -10.819 -1.289 1.00 0.00 O ATOM 589 CB ARG A 37 69.763 -8.476 -2.914 1.00 0.00 C ATOM 590 CG ARG A 37 68.954 -9.217 -3.980 1.00 0.00 C ATOM 591 CD ARG A 37 69.704 -10.483 -4.400 1.00 0.00 C ATOM 592 NE ARG A 37 69.912 -10.471 -5.874 1.00 0.00 N ATOM 593 CZ ARG A 37 69.977 -11.596 -6.534 1.00 0.00 C ATOM 594 NH1 ARG A 37 69.079 -12.521 -6.334 1.00 0.00 N ATOM 595 NH2 ARG A 37 70.939 -11.794 -7.392 1.00 0.00 N ATOM 0 H ARG A 37 69.794 -6.745 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 37 68.125 -9.089 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.780 -7.408 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.797 -8.820 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.970 -9.477 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.794 -8.572 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 37 70.664 -10.537 -3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.137 -11.368 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 37 70.004 -9.584 -6.369 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.327 -12.365 -5.663 1.00 0.00 H new ATOM 0 HH12 ARG A 37 69.129 -13.400 -6.849 1.00 0.00 H new ATOM 0 HH21 ARG A 37 71.641 -11.070 -7.548 1.00 0.00 H new ATOM 0 HH22 ARG A 37 70.990 -12.673 -7.907 1.00 0.00 H new ATOM 609 N LEU A 38 70.291 -9.461 0.427 1.00 0.00 N ATOM 610 CA LEU A 38 71.073 -10.410 1.256 1.00 0.00 C ATOM 611 C LEU A 38 70.107 -11.299 2.040 1.00 0.00 C ATOM 612 O LEU A 38 70.365 -12.462 2.277 1.00 0.00 O ATOM 613 CB LEU A 38 71.960 -9.633 2.230 1.00 0.00 C ATOM 614 CG LEU A 38 73.313 -10.335 2.361 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.090 -11.825 2.624 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.105 -10.160 1.063 1.00 0.00 C ATOM 0 H LEU A 38 70.050 -8.585 0.891 1.00 0.00 H new ATOM 0 HA LEU A 38 71.703 -11.026 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.101 -8.612 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.477 -9.567 3.205 1.00 0.00 H new ATOM 0 HG LEU A 38 73.871 -9.899 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.053 -12.326 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.524 -11.951 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.533 -12.261 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.069 -10.660 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.547 -10.597 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.263 -9.098 0.874 1.00 0.00 H new ATOM 628 N SER A 39 68.995 -10.751 2.446 1.00 0.00 N ATOM 629 CA SER A 39 68.002 -11.547 3.219 1.00 0.00 C ATOM 630 C SER A 39 67.318 -12.552 2.292 1.00 0.00 C ATOM 631 O SER A 39 66.679 -13.485 2.736 1.00 0.00 O ATOM 632 CB SER A 39 66.955 -10.605 3.814 1.00 0.00 C ATOM 633 OG SER A 39 65.912 -11.372 4.401 1.00 0.00 O ATOM 0 H SER A 39 68.731 -9.781 2.274 1.00 0.00 H new ATOM 0 HA SER A 39 68.509 -12.084 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.414 -9.960 4.563 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.551 -9.955 3.038 1.00 0.00 H new ATOM 0 HG SER A 39 65.958 -12.293 4.071 1.00 0.00 H new ATOM 639 N GLU A 40 67.444 -12.371 1.005 1.00 0.00 N ATOM 640 CA GLU A 40 66.800 -13.314 0.054 1.00 0.00 C ATOM 641 C GLU A 40 67.771 -14.433 -0.294 1.00 0.00 C ATOM 642 O GLU A 40 67.641 -15.106 -1.297 1.00 0.00 O ATOM 643 CB GLU A 40 66.411 -12.568 -1.215 1.00 0.00 C ATOM 644 CG GLU A 40 64.896 -12.642 -1.412 1.00 0.00 C ATOM 645 CD GLU A 40 64.257 -11.334 -0.945 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.978 -10.357 -0.815 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.057 -11.329 -0.724 1.00 0.00 O ATOM 0 H GLU A 40 67.966 -11.609 0.573 1.00 0.00 H new ATOM 0 HA GLU A 40 65.909 -13.739 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.728 -11.527 -1.149 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.921 -13.003 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.663 -12.818 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.486 -13.481 -0.849 1.00 0.00 H new ATOM 654 N HIS A 41 68.740 -14.625 0.535 1.00 0.00 N ATOM 655 CA HIS A 41 69.745 -15.692 0.291 1.00 0.00 C ATOM 656 C HIS A 41 69.168 -17.041 0.716 1.00 0.00 C ATOM 657 O HIS A 41 69.040 -17.951 -0.077 1.00 0.00 O ATOM 658 CB HIS A 41 71.008 -15.398 1.102 1.00 0.00 C ATOM 659 CG HIS A 41 72.220 -15.802 0.308 1.00 0.00 C ATOM 660 ND1 HIS A 41 73.383 -15.047 0.299 1.00 0.00 N ATOM 661 CD2 HIS A 41 72.465 -16.878 -0.507 1.00 0.00 C ATOM 662 CE1 HIS A 41 74.267 -15.674 -0.498 1.00 0.00 C ATOM 663 NE2 HIS A 41 73.759 -16.796 -1.015 1.00 0.00 N ATOM 0 H HIS A 41 68.887 -14.083 1.387 1.00 0.00 H new ATOM 0 HA HIS A 41 69.994 -15.722 -0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 41 71.057 -14.337 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.981 -15.941 2.046 1.00 0.00 H new ATOM 0 HD2 HIS A 41 71.761 -17.669 -0.722 1.00 0.00 H new ATOM 0 HE1 HIS A 41 75.266 -15.314 -0.696 1.00 0.00 H new ATOM 0 HE2 HIS A 41 74.220 -17.452 -1.646 1.00 0.00 H new ATOM 671 N LEU A 42 68.823 -17.174 1.963 1.00 0.00 N ATOM 672 CA LEU A 42 68.258 -18.454 2.457 1.00 0.00 C ATOM 673 C LEU A 42 66.845 -18.646 1.897 1.00 0.00 C ATOM 674 O LEU A 42 66.216 -19.663 2.114 1.00 0.00 O ATOM 675 CB LEU A 42 68.195 -18.412 3.982 1.00 0.00 C ATOM 676 CG LEU A 42 69.612 -18.470 4.554 1.00 0.00 C ATOM 677 CD1 LEU A 42 69.635 -17.796 5.927 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.043 -19.931 4.697 1.00 0.00 C ATOM 0 H LEU A 42 68.910 -16.442 2.668 1.00 0.00 H new ATOM 0 HA LEU A 42 68.889 -19.282 2.132 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.696 -17.500 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.606 -19.250 4.355 1.00 0.00 H new ATOM 0 HG LEU A 42 70.297 -17.952 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.645 -17.837 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 69.326 -16.756 5.827 1.00 0.00 H new ATOM 0 HD13 LEU A 42 68.951 -18.315 6.598 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.053 -19.974 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.358 -20.448 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.025 -20.413 3.719 1.00 0.00 H new ATOM 690 N LYS A 43 66.340 -17.677 1.179 1.00 0.00 N ATOM 691 CA LYS A 43 64.969 -17.804 0.607 1.00 0.00 C ATOM 692 C LYS A 43 65.023 -18.563 -0.718 1.00 0.00 C ATOM 693 O LYS A 43 64.107 -18.531 -1.515 1.00 0.00 O ATOM 694 CB LYS A 43 64.385 -16.416 0.372 1.00 0.00 C ATOM 695 CG LYS A 43 63.255 -16.158 1.370 1.00 0.00 C ATOM 696 CD LYS A 43 61.973 -16.831 0.873 1.00 0.00 C ATOM 697 CE LYS A 43 61.344 -15.979 -0.231 1.00 0.00 C ATOM 698 NZ LYS A 43 60.470 -16.834 -1.083 1.00 0.00 N ATOM 0 H LYS A 43 66.819 -16.803 0.964 1.00 0.00 H new ATOM 0 HA LYS A 43 64.340 -18.353 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.162 -15.660 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 43 64.008 -16.337 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.526 -16.547 2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.095 -15.086 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 43 62.197 -17.828 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.271 -16.953 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.762 -15.169 0.208 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.123 -15.519 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.043 -16.254 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.038 -17.592 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.718 -17.253 -0.499 1.00 0.00 H new ATOM 712 N VAL A 44 66.095 -19.245 -0.938 1.00 0.00 N ATOM 713 CA VAL A 44 66.272 -20.033 -2.181 1.00 0.00 C ATOM 714 C VAL A 44 67.356 -21.080 -1.924 1.00 0.00 C ATOM 715 O VAL A 44 67.254 -22.219 -2.337 1.00 0.00 O ATOM 716 CB VAL A 44 66.705 -19.101 -3.312 1.00 0.00 C ATOM 717 CG1 VAL A 44 67.264 -19.924 -4.474 1.00 0.00 C ATOM 718 CG2 VAL A 44 65.501 -18.291 -3.795 1.00 0.00 C ATOM 0 H VAL A 44 66.883 -19.294 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 44 65.340 -20.521 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 44 67.477 -18.424 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.572 -19.256 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.124 -20.500 -4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.495 -20.604 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.810 -17.626 -4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.729 -18.969 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.105 -17.700 -2.969 1.00 0.00 H new ATOM 728 N HIS A 45 68.389 -20.693 -1.226 1.00 0.00 N ATOM 729 CA HIS A 45 69.489 -21.640 -0.908 1.00 0.00 C ATOM 730 C HIS A 45 68.916 -22.873 -0.206 1.00 0.00 C ATOM 731 O HIS A 45 68.318 -22.776 0.847 1.00 0.00 O ATOM 732 CB HIS A 45 70.488 -20.943 0.017 1.00 0.00 C ATOM 733 CG HIS A 45 71.554 -20.271 -0.806 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.381 -19.992 -2.153 1.00 0.00 N ATOM 735 CD2 HIS A 45 72.810 -19.818 -0.488 1.00 0.00 C ATOM 736 CE1 HIS A 45 72.506 -19.398 -2.591 1.00 0.00 C ATOM 737 NE2 HIS A 45 73.410 -19.268 -1.616 1.00 0.00 N ATOM 0 H HIS A 45 68.516 -19.750 -0.860 1.00 0.00 H new ATOM 0 HA HIS A 45 69.988 -21.950 -1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.974 -20.207 0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.940 -21.668 0.694 1.00 0.00 H new ATOM 0 HD1 HIS A 45 70.552 -20.199 -2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 45 73.264 -19.879 0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 45 72.660 -19.067 -3.607 1.00 0.00 H new ATOM 745 N LYS A 46 69.096 -24.031 -0.779 1.00 0.00 N ATOM 746 CA LYS A 46 68.565 -25.263 -0.146 1.00 0.00 C ATOM 747 C LYS A 46 69.665 -26.327 -0.087 1.00 0.00 C ATOM 748 O LYS A 46 69.461 -27.414 0.414 1.00 0.00 O ATOM 749 CB LYS A 46 67.384 -25.791 -0.963 1.00 0.00 C ATOM 750 CG LYS A 46 66.496 -24.621 -1.390 1.00 0.00 C ATOM 751 CD LYS A 46 65.044 -24.918 -1.012 1.00 0.00 C ATOM 752 CE LYS A 46 64.339 -23.615 -0.628 1.00 0.00 C ATOM 753 NZ LYS A 46 64.459 -23.400 0.842 1.00 0.00 N ATOM 0 H LYS A 46 69.589 -24.174 -1.660 1.00 0.00 H new ATOM 0 HA LYS A 46 68.231 -25.033 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 46 67.746 -26.326 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 46 66.807 -26.502 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.828 -23.703 -0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 46 66.578 -24.462 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.529 -25.390 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.010 -25.621 -0.180 1.00 0.00 H new ATOM 0 HE2 LYS A 46 64.782 -22.777 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.288 -23.659 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.980 -22.515 1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 64.017 -24.195 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 65.464 -23.340 1.103 1.00 0.00 H new ATOM 767 N LYS A 47 70.830 -26.021 -0.591 1.00 0.00 N ATOM 768 CA LYS A 47 71.941 -27.008 -0.563 1.00 0.00 C ATOM 769 C LYS A 47 73.268 -26.284 -0.801 1.00 0.00 C ATOM 770 O LYS A 47 73.948 -26.518 -1.780 1.00 0.00 O ATOM 771 CB LYS A 47 71.728 -28.053 -1.661 1.00 0.00 C ATOM 772 CG LYS A 47 70.592 -28.995 -1.257 1.00 0.00 C ATOM 773 CD LYS A 47 70.763 -30.338 -1.971 1.00 0.00 C ATOM 774 CE LYS A 47 70.454 -31.476 -0.996 1.00 0.00 C ATOM 775 NZ LYS A 47 69.202 -31.164 -0.250 1.00 0.00 N ATOM 0 H LYS A 47 71.058 -25.125 -1.022 1.00 0.00 H new ATOM 0 HA LYS A 47 71.962 -27.503 0.408 1.00 0.00 H new ATOM 0 HB2 LYS A 47 71.489 -27.561 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.645 -28.620 -1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 47 70.595 -29.143 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.630 -28.553 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 47 70.097 -30.392 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 47 71.781 -30.434 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.342 -32.414 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 47 71.282 -31.608 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 68.726 -32.050 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 69.435 -30.625 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.570 -30.599 -0.853 1.00 0.00 H new ATOM 789 N ASP A 48 73.641 -25.404 0.088 1.00 0.00 N ATOM 790 CA ASP A 48 74.922 -24.666 -0.090 1.00 0.00 C ATOM 791 C ASP A 48 75.182 -23.789 1.136 1.00 0.00 C ATOM 792 O ASP A 48 74.756 -22.653 1.199 1.00 0.00 O ATOM 793 CB ASP A 48 74.837 -23.787 -1.339 1.00 0.00 C ATOM 794 CG ASP A 48 76.127 -23.926 -2.149 1.00 0.00 C ATOM 795 OD1 ASP A 48 77.103 -23.290 -1.786 1.00 0.00 O ATOM 796 OD2 ASP A 48 76.117 -24.665 -3.120 1.00 0.00 O ATOM 0 H ASP A 48 73.114 -25.165 0.928 1.00 0.00 H new ATOM 0 HA ASP A 48 75.738 -25.380 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.981 -24.081 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 48 74.684 -22.746 -1.054 1.00 0.00 H new ATOM 801 N HIS A 49 75.880 -24.305 2.110 1.00 0.00 N ATOM 802 CA HIS A 49 76.168 -23.498 3.330 1.00 0.00 C ATOM 803 C HIS A 49 74.875 -22.851 3.831 1.00 0.00 C ATOM 804 O HIS A 49 73.809 -23.076 3.294 1.00 0.00 O ATOM 805 CB HIS A 49 77.185 -22.406 2.988 1.00 0.00 C ATOM 806 CG HIS A 49 78.557 -22.846 3.421 1.00 0.00 C ATOM 807 ND1 HIS A 49 79.346 -22.078 4.262 1.00 0.00 N ATOM 808 CD2 HIS A 49 79.292 -23.969 3.138 1.00 0.00 C ATOM 809 CE1 HIS A 49 80.500 -22.743 4.454 1.00 0.00 C ATOM 810 NE2 HIS A 49 80.519 -23.903 3.791 1.00 0.00 N ATOM 0 H HIS A 49 76.263 -25.250 2.114 1.00 0.00 H new ATOM 0 HA HIS A 49 76.575 -24.145 4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 49 77.176 -22.208 1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.916 -21.475 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 49 78.968 -24.781 2.504 1.00 0.00 H new ATOM 0 HE1 HIS A 49 81.312 -22.383 5.069 1.00 0.00 H new ATOM 0 HE2 HIS A 49 81.271 -24.592 3.768 1.00 0.00 H new ATOM 818 N HIS A 50 74.963 -22.048 4.856 1.00 0.00 N ATOM 819 CA HIS A 50 73.739 -21.387 5.391 1.00 0.00 C ATOM 820 C HIS A 50 73.783 -19.903 5.061 1.00 0.00 C ATOM 821 O HIS A 50 73.154 -19.083 5.700 1.00 0.00 O ATOM 822 CB HIS A 50 73.689 -21.563 6.902 1.00 0.00 C ATOM 823 CG HIS A 50 72.440 -22.307 7.283 1.00 0.00 C ATOM 824 ND1 HIS A 50 71.928 -23.339 6.511 1.00 0.00 N ATOM 825 CD2 HIS A 50 71.588 -22.181 8.352 1.00 0.00 C ATOM 826 CE1 HIS A 50 70.816 -23.788 7.121 1.00 0.00 C ATOM 827 NE2 HIS A 50 70.563 -23.117 8.247 1.00 0.00 N ATOM 0 H HIS A 50 75.829 -21.821 5.346 1.00 0.00 H new ATOM 0 HA HIS A 50 72.855 -21.838 4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 50 74.568 -22.109 7.244 1.00 0.00 H new ATOM 0 HB3 HIS A 50 73.708 -20.590 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 50 71.696 -21.465 9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 50 70.203 -24.594 6.745 1.00 0.00 H new ATOM 0 HE2 HIS A 50 69.786 -23.260 8.892 1.00 0.00 H new ATOM 835 N SER A 51 74.528 -19.565 4.064 1.00 0.00 N ATOM 836 CA SER A 51 74.644 -18.138 3.655 1.00 0.00 C ATOM 837 C SER A 51 75.133 -17.306 4.843 1.00 0.00 C ATOM 838 O SER A 51 75.681 -17.826 5.794 1.00 0.00 O ATOM 839 CB SER A 51 73.277 -17.624 3.202 1.00 0.00 C ATOM 840 OG SER A 51 72.699 -18.561 2.303 1.00 0.00 O ATOM 0 H SER A 51 75.073 -20.219 3.502 1.00 0.00 H new ATOM 0 HA SER A 51 75.355 -18.052 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 51 72.626 -17.480 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 51 73.383 -16.654 2.716 1.00 0.00 H new ATOM 0 HG SER A 51 71.822 -18.236 2.011 1.00 0.00 H new ATOM 846 N HIS A 52 74.939 -16.016 4.796 1.00 0.00 N ATOM 847 CA HIS A 52 75.393 -15.152 5.923 1.00 0.00 C ATOM 848 C HIS A 52 76.908 -15.285 6.090 1.00 0.00 C ATOM 849 O HIS A 52 77.469 -14.883 7.090 1.00 0.00 O ATOM 850 CB HIS A 52 74.698 -15.591 7.213 1.00 0.00 C ATOM 851 CG HIS A 52 73.345 -14.940 7.301 1.00 0.00 C ATOM 852 ND1 HIS A 52 72.948 -14.210 8.411 1.00 0.00 N ATOM 853 CD2 HIS A 52 72.288 -14.899 6.427 1.00 0.00 C ATOM 854 CE1 HIS A 52 71.700 -13.765 8.177 1.00 0.00 C ATOM 855 NE2 HIS A 52 71.249 -14.157 6.982 1.00 0.00 N ATOM 0 H HIS A 52 74.486 -15.523 4.026 1.00 0.00 H new ATOM 0 HA HIS A 52 75.141 -14.113 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 52 74.593 -16.676 7.231 1.00 0.00 H new ATOM 0 HB3 HIS A 52 75.303 -15.315 8.077 1.00 0.00 H new ATOM 0 HD2 HIS A 52 72.265 -15.371 5.456 1.00 0.00 H new ATOM 0 HE1 HIS A 52 71.132 -13.164 8.871 1.00 0.00 H new ATOM 0 HE2 HIS A 52 70.340 -13.956 6.566 1.00 0.00 H new ATOM 863 N ARG A 53 77.576 -15.844 5.117 1.00 0.00 N ATOM 864 CA ARG A 53 79.054 -15.999 5.223 1.00 0.00 C ATOM 865 C ARG A 53 79.687 -14.645 5.546 1.00 0.00 C ATOM 866 O ARG A 53 80.031 -13.883 4.664 1.00 0.00 O ATOM 867 CB ARG A 53 79.608 -16.518 3.895 1.00 0.00 C ATOM 868 CG ARG A 53 80.486 -17.744 4.152 1.00 0.00 C ATOM 869 CD ARG A 53 81.161 -18.172 2.848 1.00 0.00 C ATOM 870 NE ARG A 53 80.307 -19.174 2.152 1.00 0.00 N ATOM 871 CZ ARG A 53 79.379 -18.777 1.324 1.00 0.00 C ATOM 872 NH1 ARG A 53 79.687 -18.002 0.321 1.00 0.00 N ATOM 873 NH2 ARG A 53 78.143 -19.155 1.500 1.00 0.00 N ATOM 0 H ARG A 53 77.162 -16.199 4.255 1.00 0.00 H new ATOM 0 HA ARG A 53 79.289 -16.708 6.017 1.00 0.00 H new ATOM 0 HB2 ARG A 53 78.789 -16.778 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 53 80.189 -15.739 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 53 81.240 -17.513 4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 53 79.882 -18.561 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 53 81.319 -17.305 2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 53 82.143 -18.597 3.057 1.00 0.00 H new ATOM 0 HE ARG A 53 80.447 -20.170 2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 53 80.653 -17.706 0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 53 78.962 -17.692 -0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 53 77.902 -19.761 2.284 1.00 0.00 H new ATOM 0 HH22 ARG A 53 77.418 -18.845 0.853 1.00 0.00 H new ATOM 887 N GLY A 54 79.842 -14.337 6.805 1.00 0.00 N ATOM 888 CA GLY A 54 80.451 -13.030 7.183 1.00 0.00 C ATOM 889 C GLY A 54 79.729 -11.899 6.450 1.00 0.00 C ATOM 890 O GLY A 54 80.259 -10.819 6.284 1.00 0.00 O ATOM 0 H GLY A 54 79.573 -14.933 7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 54 80.381 -12.882 8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 54 81.511 -13.024 6.929 1.00 0.00 H new ATOM 894 N LEU A 55 78.523 -12.136 6.010 1.00 0.00 N ATOM 895 CA LEU A 55 77.774 -11.075 5.291 1.00 0.00 C ATOM 896 C LEU A 55 76.973 -10.243 6.291 1.00 0.00 C ATOM 897 O LEU A 55 75.907 -9.742 5.993 1.00 0.00 O ATOM 898 CB LEU A 55 76.825 -11.713 4.274 1.00 0.00 C ATOM 899 CG LEU A 55 77.322 -11.419 2.859 1.00 0.00 C ATOM 900 CD1 LEU A 55 77.445 -9.907 2.665 1.00 0.00 C ATOM 901 CD2 LEU A 55 78.692 -12.070 2.654 1.00 0.00 C ATOM 0 H LEU A 55 78.027 -13.020 6.119 1.00 0.00 H new ATOM 0 HA LEU A 55 78.479 -10.428 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 55 76.772 -12.790 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.817 -11.321 4.406 1.00 0.00 H new ATOM 0 HG LEU A 55 76.614 -11.823 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 55 77.799 -9.697 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 55 76.471 -9.441 2.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 78.153 -9.504 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 55 79.047 -11.861 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 55 79.399 -11.666 3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 55 78.607 -13.148 2.792 1.00 0.00 H new ATOM 913 N LEU A 56 77.484 -10.097 7.477 1.00 0.00 N ATOM 914 CA LEU A 56 76.778 -9.311 8.509 1.00 0.00 C ATOM 915 C LEU A 56 77.511 -7.992 8.735 1.00 0.00 C ATOM 916 O LEU A 56 76.911 -6.953 8.927 1.00 0.00 O ATOM 917 CB LEU A 56 76.763 -10.112 9.805 1.00 0.00 C ATOM 918 CG LEU A 56 75.811 -11.298 9.657 1.00 0.00 C ATOM 919 CD1 LEU A 56 75.916 -12.196 10.892 1.00 0.00 C ATOM 920 CD2 LEU A 56 74.376 -10.786 9.520 1.00 0.00 C ATOM 0 H LEU A 56 78.374 -10.496 7.775 1.00 0.00 H new ATOM 0 HA LEU A 56 75.758 -9.103 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 56 77.767 -10.465 10.039 1.00 0.00 H new ATOM 0 HB3 LEU A 56 76.446 -9.478 10.634 1.00 0.00 H new ATOM 0 HG LEU A 56 76.080 -11.870 8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.237 -13.042 10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 56 76.938 -12.562 10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 56 75.648 -11.625 11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 56 73.696 -11.632 9.414 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.108 -10.214 10.408 1.00 0.00 H new ATOM 0 HD23 LEU A 56 74.300 -10.147 8.640 1.00 0.00 H new ATOM 932 N MET A 57 78.808 -8.036 8.718 1.00 0.00 N ATOM 933 CA MET A 57 79.612 -6.801 8.934 1.00 0.00 C ATOM 934 C MET A 57 79.023 -5.646 8.119 1.00 0.00 C ATOM 935 O MET A 57 78.722 -4.593 8.646 1.00 0.00 O ATOM 936 CB MET A 57 81.056 -7.053 8.492 1.00 0.00 C ATOM 937 CG MET A 57 81.889 -5.792 8.727 1.00 0.00 C ATOM 938 SD MET A 57 83.649 -6.204 8.624 1.00 0.00 S ATOM 939 CE MET A 57 84.259 -4.856 9.667 1.00 0.00 C ATOM 0 H MET A 57 79.355 -8.883 8.562 1.00 0.00 H new ATOM 0 HA MET A 57 79.591 -6.539 9.992 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.478 -7.889 9.050 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.082 -7.328 7.437 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.638 -5.034 7.985 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.660 -5.369 9.705 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.345 -4.917 9.743 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.980 -3.899 9.226 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.821 -4.938 10.662 1.00 0.00 H new ATOM 949 N MET A 58 78.863 -5.830 6.836 1.00 0.00 N ATOM 950 CA MET A 58 78.301 -4.737 5.993 1.00 0.00 C ATOM 951 C MET A 58 76.975 -4.261 6.592 1.00 0.00 C ATOM 952 O MET A 58 76.677 -3.083 6.604 1.00 0.00 O ATOM 953 CB MET A 58 78.068 -5.256 4.571 1.00 0.00 C ATOM 954 CG MET A 58 76.830 -6.155 4.543 1.00 0.00 C ATOM 955 SD MET A 58 76.722 -6.983 2.937 1.00 0.00 S ATOM 956 CE MET A 58 74.932 -7.246 2.937 1.00 0.00 C ATOM 0 H MET A 58 79.097 -6.688 6.337 1.00 0.00 H new ATOM 0 HA MET A 58 79.003 -3.904 5.962 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.936 -4.419 3.886 1.00 0.00 H new ATOM 0 HB3 MET A 58 78.941 -5.813 4.230 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.886 -6.894 5.342 1.00 0.00 H new ATOM 0 HG3 MET A 58 75.933 -5.562 4.720 1.00 0.00 H new ATOM 0 HE1 MET A 58 74.692 -8.117 2.327 1.00 0.00 H new ATOM 0 HE2 MET A 58 74.589 -7.412 3.958 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.435 -6.367 2.526 1.00 0.00 H new ATOM 966 N VAL A 59 76.179 -5.167 7.086 1.00 0.00 N ATOM 967 CA VAL A 59 74.875 -4.769 7.683 1.00 0.00 C ATOM 968 C VAL A 59 75.120 -3.915 8.928 1.00 0.00 C ATOM 969 O VAL A 59 74.361 -3.018 9.237 1.00 0.00 O ATOM 970 CB VAL A 59 74.086 -6.021 8.070 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.853 -5.618 8.880 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.645 -6.758 6.803 1.00 0.00 C ATOM 0 H VAL A 59 76.376 -6.168 7.102 1.00 0.00 H new ATOM 0 HA VAL A 59 74.306 -4.192 6.954 1.00 0.00 H new ATOM 0 HB VAL A 59 74.717 -6.676 8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.291 -6.510 9.156 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.166 -5.093 9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 59 72.222 -4.963 8.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.083 -7.650 7.078 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.015 -6.103 6.202 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.523 -7.046 6.225 1.00 0.00 H new ATOM 982 N GLY A 60 76.174 -4.188 9.647 1.00 0.00 N ATOM 983 CA GLY A 60 76.468 -3.391 10.871 1.00 0.00 C ATOM 984 C GLY A 60 77.358 -2.202 10.509 1.00 0.00 C ATOM 985 O GLY A 60 77.828 -1.482 11.367 1.00 0.00 O ATOM 0 H GLY A 60 76.844 -4.928 9.440 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.539 -3.039 11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.964 -4.016 11.614 1.00 0.00 H new ATOM 989 N GLN A 61 77.595 -1.990 9.242 1.00 0.00 N ATOM 990 CA GLN A 61 78.454 -0.852 8.826 1.00 0.00 C ATOM 991 C GLN A 61 77.593 0.381 8.589 1.00 0.00 C ATOM 992 O GLN A 61 77.987 1.320 7.927 1.00 0.00 O ATOM 993 CB GLN A 61 79.187 -1.212 7.541 1.00 0.00 C ATOM 994 CG GLN A 61 80.681 -1.375 7.829 1.00 0.00 C ATOM 995 CD GLN A 61 81.461 -1.355 6.512 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.069 -2.339 6.140 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.468 -0.271 5.788 1.00 0.00 N ATOM 0 H GLN A 61 77.229 -2.559 8.479 1.00 0.00 H new ATOM 0 HA GLN A 61 79.178 -0.641 9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.783 -2.136 7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.034 -0.434 6.793 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.026 -0.572 8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.860 -2.312 8.356 1.00 0.00 H new ATOM 0 HE21 GLN A 61 80.957 0.555 6.101 1.00 0.00 H new ATOM 0 HE22 GLN A 61 81.984 -0.248 4.909 1.00 0.00 H new ATOM 1006 N ARG A 62 76.425 0.375 9.135 1.00 0.00 N ATOM 1007 CA ARG A 62 75.506 1.535 8.972 1.00 0.00 C ATOM 1008 C ARG A 62 75.242 2.162 10.336 1.00 0.00 C ATOM 1009 O ARG A 62 75.281 3.365 10.502 1.00 0.00 O ATOM 1010 CB ARG A 62 74.187 1.061 8.360 1.00 0.00 C ATOM 1011 CG ARG A 62 73.661 2.121 7.388 1.00 0.00 C ATOM 1012 CD ARG A 62 73.042 1.433 6.171 1.00 0.00 C ATOM 1013 NE ARG A 62 72.356 0.182 6.602 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.858 -0.630 5.711 1.00 0.00 C ATOM 1015 NH1 ARG A 62 72.633 -1.482 5.098 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.583 -0.590 5.433 1.00 0.00 N ATOM 0 H ARG A 62 76.054 -0.391 9.697 1.00 0.00 H new ATOM 0 HA ARG A 62 75.962 2.274 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.336 0.116 7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 62 73.454 0.879 9.146 1.00 0.00 H new ATOM 0 HG2 ARG A 62 72.918 2.747 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.473 2.777 7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.331 2.101 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.815 1.202 5.438 1.00 0.00 H new ATOM 0 HE ARG A 62 72.276 -0.039 7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 62 73.629 -1.513 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 62 72.243 -2.117 4.401 1.00 0.00 H new ATOM 0 HH21 ARG A 62 69.977 0.076 5.912 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.193 -1.225 4.736 1.00 0.00 H new ATOM 1030 N ARG A 63 74.985 1.349 11.316 1.00 0.00 N ATOM 1031 CA ARG A 63 74.728 1.881 12.681 1.00 0.00 C ATOM 1032 C ARG A 63 75.963 2.650 13.152 1.00 0.00 C ATOM 1033 O ARG A 63 75.913 3.412 14.097 1.00 0.00 O ATOM 1034 CB ARG A 63 74.450 0.721 13.638 1.00 0.00 C ATOM 1035 CG ARG A 63 73.639 1.225 14.833 1.00 0.00 C ATOM 1036 CD ARG A 63 74.491 1.142 16.100 1.00 0.00 C ATOM 1037 NE ARG A 63 74.993 2.500 16.451 1.00 0.00 N ATOM 1038 CZ ARG A 63 75.993 2.631 17.279 1.00 0.00 C ATOM 1039 NH1 ARG A 63 76.186 1.745 18.217 1.00 0.00 N ATOM 1040 NH2 ARG A 63 76.799 3.651 17.170 1.00 0.00 N ATOM 0 H ARG A 63 74.941 0.333 11.232 1.00 0.00 H new ATOM 0 HA ARG A 63 73.864 2.545 12.664 1.00 0.00 H new ATOM 0 HB2 ARG A 63 73.903 -0.067 13.121 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.389 0.286 13.980 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.321 2.254 14.662 1.00 0.00 H new ATOM 0 HG3 ARG A 63 72.735 0.628 14.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 73.901 0.737 16.922 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.329 0.462 15.944 1.00 0.00 H new ATOM 0 HE ARG A 63 74.555 3.327 16.044 1.00 0.00 H new ATOM 0 HH11 ARG A 63 75.555 0.949 18.304 1.00 0.00 H new ATOM 0 HH12 ARG A 63 76.968 1.849 18.863 1.00 0.00 H new ATOM 0 HH21 ARG A 63 76.647 4.345 16.438 1.00 0.00 H new ATOM 0 HH22 ARG A 63 77.581 3.754 17.817 1.00 0.00 H new ATOM 1054 N ARG A 64 77.073 2.454 12.492 1.00 0.00 N ATOM 1055 CA ARG A 64 78.314 3.165 12.883 1.00 0.00 C ATOM 1056 C ARG A 64 79.116 3.507 11.626 1.00 0.00 C ATOM 1057 O ARG A 64 80.324 3.624 11.662 1.00 0.00 O ATOM 1058 CB ARG A 64 79.150 2.271 13.800 1.00 0.00 C ATOM 1059 CG ARG A 64 80.238 3.108 14.475 1.00 0.00 C ATOM 1060 CD ARG A 64 81.371 2.192 14.942 1.00 0.00 C ATOM 1061 NE ARG A 64 81.143 1.804 16.362 1.00 0.00 N ATOM 1062 CZ ARG A 64 80.981 0.549 16.678 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.853 -0.339 16.287 1.00 0.00 N ATOM 1064 NH2 ARG A 64 79.946 0.182 17.383 1.00 0.00 N ATOM 0 H ARG A 64 77.169 1.826 11.694 1.00 0.00 H new ATOM 0 HA ARG A 64 78.059 4.082 13.413 1.00 0.00 H new ATOM 0 HB2 ARG A 64 78.513 1.808 14.553 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.602 1.463 13.224 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.622 3.854 13.779 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.821 3.650 15.324 1.00 0.00 H new ATOM 0 HD2 ARG A 64 81.416 1.302 14.314 1.00 0.00 H new ATOM 0 HD3 ARG A 64 82.329 2.702 14.843 1.00 0.00 H new ATOM 0 HE ARG A 64 81.114 2.520 17.088 1.00 0.00 H new ATOM 0 HH11 ARG A 64 82.661 -0.052 15.735 1.00 0.00 H new ATOM 0 HH12 ARG A 64 81.727 -1.321 16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 64 79.264 0.877 17.687 1.00 0.00 H new ATOM 0 HH22 ARG A 64 79.819 -0.799 17.630 1.00 0.00 H new ATOM 1078 N LEU A 65 78.451 3.668 10.513 1.00 0.00 N ATOM 1079 CA LEU A 65 79.172 4.003 9.253 1.00 0.00 C ATOM 1080 C LEU A 65 79.958 5.299 9.447 1.00 0.00 C ATOM 1081 O LEU A 65 80.838 5.624 8.677 1.00 0.00 O ATOM 1082 CB LEU A 65 78.160 4.185 8.119 1.00 0.00 C ATOM 1083 CG LEU A 65 78.899 4.252 6.781 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.087 3.518 5.713 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.076 5.715 6.370 1.00 0.00 C ATOM 0 H LEU A 65 77.439 3.582 10.423 1.00 0.00 H new ATOM 0 HA LEU A 65 79.859 3.195 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 77.451 3.357 8.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.584 5.097 8.274 1.00 0.00 H new ATOM 0 HG LEU A 65 79.877 3.781 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 65 78.613 3.565 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 65 77.959 2.476 6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 65 77.109 3.989 5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.602 5.764 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.098 6.185 6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 65 79.654 6.239 7.131 1.00 0.00 H new ATOM 1097 N LEU A 66 79.640 6.043 10.470 1.00 0.00 N ATOM 1098 CA LEU A 66 80.358 7.326 10.726 1.00 0.00 C ATOM 1099 C LEU A 66 81.869 7.089 10.738 1.00 0.00 C ATOM 1100 O LEU A 66 82.654 7.999 10.563 1.00 0.00 O ATOM 1101 CB LEU A 66 79.937 7.865 12.090 1.00 0.00 C ATOM 1102 CG LEU A 66 79.971 6.734 13.118 1.00 0.00 C ATOM 1103 CD1 LEU A 66 81.099 6.988 14.119 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.633 6.682 13.861 1.00 0.00 C ATOM 0 H LEU A 66 78.909 5.817 11.145 1.00 0.00 H new ATOM 0 HA LEU A 66 80.109 8.038 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 66 80.605 8.670 12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.934 8.288 12.032 1.00 0.00 H new ATOM 0 HG LEU A 66 80.143 5.785 12.610 1.00 0.00 H new ATOM 0 HD11 LEU A 66 81.123 6.182 14.852 1.00 0.00 H new ATOM 0 HD12 LEU A 66 82.052 7.027 13.591 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.927 7.936 14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.655 5.876 14.595 1.00 0.00 H new ATOM 0 HD22 LEU A 66 78.462 7.631 14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.828 6.502 13.149 1.00 0.00 H new ATOM 1116 N ARG A 67 82.278 5.873 10.956 1.00 0.00 N ATOM 1117 CA ARG A 67 83.733 5.562 10.996 1.00 0.00 C ATOM 1118 C ARG A 67 84.284 5.390 9.576 1.00 0.00 C ATOM 1119 O ARG A 67 85.332 4.809 9.375 1.00 0.00 O ATOM 1120 CB ARG A 67 83.954 4.268 11.783 1.00 0.00 C ATOM 1121 CG ARG A 67 83.416 3.084 10.979 1.00 0.00 C ATOM 1122 CD ARG A 67 84.579 2.187 10.549 1.00 0.00 C ATOM 1123 NE ARG A 67 84.521 0.904 11.305 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.456 0.008 11.141 1.00 0.00 C ATOM 1125 NH1 ARG A 67 85.578 -0.605 9.995 1.00 0.00 N ATOM 1126 NH2 ARG A 67 86.269 -0.274 12.122 1.00 0.00 N ATOM 0 H ARG A 67 81.662 5.074 11.110 1.00 0.00 H new ATOM 0 HA ARG A 67 84.255 6.387 11.480 1.00 0.00 H new ATOM 0 HB2 ARG A 67 85.016 4.131 11.987 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.449 4.326 12.747 1.00 0.00 H new ATOM 0 HG2 ARG A 67 82.707 2.515 11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 67 82.876 3.442 10.103 1.00 0.00 H new ATOM 0 HD2 ARG A 67 84.526 1.993 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.528 2.689 10.736 1.00 0.00 H new ATOM 0 HE ARG A 67 83.751 0.726 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 67 84.943 -0.384 9.228 1.00 0.00 H new ATOM 0 HH12 ARG A 67 86.308 -1.305 9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 67 86.174 0.206 13.017 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.000 -0.974 11.994 1.00 0.00 H new ATOM 1140 N TYR A 68 83.593 5.891 8.590 1.00 0.00 N ATOM 1141 CA TYR A 68 84.081 5.761 7.195 1.00 0.00 C ATOM 1142 C TYR A 68 84.114 7.143 6.541 1.00 0.00 C ATOM 1143 O TYR A 68 85.156 7.753 6.412 1.00 0.00 O ATOM 1144 CB TYR A 68 83.149 4.836 6.408 1.00 0.00 C ATOM 1145 CG TYR A 68 83.968 3.808 5.666 1.00 0.00 C ATOM 1146 CD1 TYR A 68 84.375 2.635 6.314 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.321 4.027 4.330 1.00 0.00 C ATOM 1148 CE1 TYR A 68 85.135 1.683 5.625 1.00 0.00 C ATOM 1149 CE2 TYR A 68 85.081 3.075 3.640 1.00 0.00 C ATOM 1150 CZ TYR A 68 85.488 1.902 4.288 1.00 0.00 C ATOM 1151 OH TYR A 68 86.237 0.963 3.608 1.00 0.00 O ATOM 0 H TYR A 68 82.708 6.387 8.694 1.00 0.00 H new ATOM 0 HA TYR A 68 85.085 5.337 7.197 1.00 0.00 H new ATOM 0 HB2 TYR A 68 82.453 4.342 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 68 82.552 5.417 5.705 1.00 0.00 H new ATOM 0 HD1 TYR A 68 84.102 2.465 7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.007 4.931 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.449 0.779 6.125 1.00 0.00 H new ATOM 0 HE2 TYR A 68 85.353 3.245 2.609 1.00 0.00 H new ATOM 0 HH TYR A 68 86.393 1.271 2.691 1.00 0.00 H new ATOM 1161 N LEU A 69 82.981 7.646 6.132 1.00 0.00 N ATOM 1162 CA LEU A 69 82.949 8.988 5.495 1.00 0.00 C ATOM 1163 C LEU A 69 82.973 10.061 6.582 1.00 0.00 C ATOM 1164 O LEU A 69 83.819 10.932 6.590 1.00 0.00 O ATOM 1165 CB LEU A 69 81.674 9.130 4.661 1.00 0.00 C ATOM 1166 CG LEU A 69 81.635 10.520 4.022 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.840 10.689 3.094 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.345 10.673 3.213 1.00 0.00 C ATOM 0 H LEU A 69 82.076 7.183 6.213 1.00 0.00 H new ATOM 0 HA LEU A 69 83.817 9.106 4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.645 8.362 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.796 8.983 5.291 1.00 0.00 H new ATOM 0 HG LEU A 69 81.668 11.280 4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.813 11.679 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.760 10.579 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.807 9.929 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.316 11.663 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.313 9.913 2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.486 10.552 3.872 1.00 0.00 H new ATOM 1180 N GLN A 70 82.051 10.004 7.504 1.00 0.00 N ATOM 1181 CA GLN A 70 82.028 11.020 8.592 1.00 0.00 C ATOM 1182 C GLN A 70 83.419 11.112 9.220 1.00 0.00 C ATOM 1183 O GLN A 70 83.821 12.137 9.733 1.00 0.00 O ATOM 1184 CB GLN A 70 81.021 10.600 9.663 1.00 0.00 C ATOM 1185 CG GLN A 70 81.186 11.494 10.895 1.00 0.00 C ATOM 1186 CD GLN A 70 80.324 10.958 12.038 1.00 0.00 C ATOM 1187 OE1 GLN A 70 79.305 10.338 11.807 1.00 0.00 O ATOM 1188 NE2 GLN A 70 80.691 11.171 13.271 1.00 0.00 N ATOM 0 H GLN A 70 81.315 9.299 7.550 1.00 0.00 H new ATOM 0 HA GLN A 70 81.740 11.988 8.181 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.006 10.681 9.275 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.176 9.556 9.934 1.00 0.00 H new ATOM 0 HG2 GLN A 70 82.233 11.523 11.198 1.00 0.00 H new ATOM 0 HG3 GLN A 70 80.895 12.517 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.546 11.691 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 70 80.123 10.817 14.041 1.00 0.00 H new ATOM 1197 N ARG A 71 84.152 10.034 9.187 1.00 0.00 N ATOM 1198 CA ARG A 71 85.517 10.027 9.782 1.00 0.00 C ATOM 1199 C ARG A 71 86.474 10.833 8.902 1.00 0.00 C ATOM 1200 O ARG A 71 87.327 11.548 9.391 1.00 0.00 O ATOM 1201 CB ARG A 71 86.016 8.585 9.888 1.00 0.00 C ATOM 1202 CG ARG A 71 85.969 8.135 11.350 1.00 0.00 C ATOM 1203 CD ARG A 71 86.741 9.131 12.217 1.00 0.00 C ATOM 1204 NE ARG A 71 87.688 8.393 13.099 1.00 0.00 N ATOM 1205 CZ ARG A 71 87.269 7.878 14.221 1.00 0.00 C ATOM 1206 NH1 ARG A 71 86.001 7.613 14.385 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.116 7.627 15.181 1.00 0.00 N ATOM 0 H ARG A 71 83.861 9.150 8.770 1.00 0.00 H new ATOM 0 HA ARG A 71 85.478 10.477 10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.398 7.929 9.274 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.034 8.512 9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.935 8.068 11.688 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.401 7.139 11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.287 9.832 11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 71 86.048 9.718 12.820 1.00 0.00 H new ATOM 0 HE ARG A 71 88.665 8.291 12.825 1.00 0.00 H new ATOM 0 HH11 ARG A 71 85.338 7.809 13.635 1.00 0.00 H new ATOM 0 HH12 ARG A 71 85.674 7.210 15.263 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.107 7.834 15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 71 87.787 7.224 16.059 1.00 0.00 H new ATOM 1221 N GLU A 72 86.345 10.725 7.608 1.00 0.00 N ATOM 1222 CA GLU A 72 87.250 11.483 6.703 1.00 0.00 C ATOM 1223 C GLU A 72 86.659 12.854 6.409 1.00 0.00 C ATOM 1224 O GLU A 72 87.027 13.524 5.465 1.00 0.00 O ATOM 1225 CB GLU A 72 87.417 10.719 5.399 1.00 0.00 C ATOM 1226 CG GLU A 72 88.280 9.482 5.642 1.00 0.00 C ATOM 1227 CD GLU A 72 88.943 9.053 4.333 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.314 8.322 3.585 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.067 9.464 4.099 1.00 0.00 O ATOM 0 H GLU A 72 85.650 10.143 7.139 1.00 0.00 H new ATOM 0 HA GLU A 72 88.219 11.604 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.442 10.425 5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.881 11.358 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.040 9.699 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.667 8.670 6.034 1.00 0.00 H new ATOM 1236 N ASP A 73 85.748 13.263 7.220 1.00 0.00 N ATOM 1237 CA ASP A 73 85.099 14.589 7.031 1.00 0.00 C ATOM 1238 C ASP A 73 83.832 14.653 7.889 1.00 0.00 C ATOM 1239 O ASP A 73 82.905 13.899 7.669 1.00 0.00 O ATOM 1240 CB ASP A 73 84.722 14.763 5.558 1.00 0.00 C ATOM 1241 CG ASP A 73 85.592 15.855 4.934 1.00 0.00 C ATOM 1242 OD1 ASP A 73 86.625 16.162 5.506 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.210 16.368 3.894 1.00 0.00 O ATOM 0 H ASP A 73 85.412 12.733 8.024 1.00 0.00 H new ATOM 0 HA ASP A 73 85.786 15.382 7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.860 13.823 5.023 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.668 15.028 5.470 1.00 0.00 H new ATOM 1248 N PRO A 74 83.821 15.552 8.843 1.00 0.00 N ATOM 1249 CA PRO A 74 82.669 15.725 9.739 1.00 0.00 C ATOM 1250 C PRO A 74 81.553 16.456 8.999 1.00 0.00 C ATOM 1251 O PRO A 74 80.387 16.310 9.305 1.00 0.00 O ATOM 1252 CB PRO A 74 83.226 16.565 10.891 1.00 0.00 C ATOM 1253 CG PRO A 74 84.476 17.288 10.336 1.00 0.00 C ATOM 1254 CD PRO A 74 84.942 16.477 9.110 1.00 0.00 C ATOM 0 HA PRO A 74 82.240 14.787 10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.485 17.283 11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.487 15.935 11.741 1.00 0.00 H new ATOM 0 HG2 PRO A 74 84.238 18.314 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 74 85.262 17.338 11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 74 85.137 17.124 8.255 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.865 15.936 9.317 1.00 0.00 H new ATOM 1262 N GLU A 75 81.907 17.222 8.009 1.00 0.00 N ATOM 1263 CA GLU A 75 80.876 17.943 7.224 1.00 0.00 C ATOM 1264 C GLU A 75 80.211 16.940 6.287 1.00 0.00 C ATOM 1265 O GLU A 75 79.006 16.919 6.131 1.00 0.00 O ATOM 1266 CB GLU A 75 81.532 19.061 6.409 1.00 0.00 C ATOM 1267 CG GLU A 75 80.495 19.686 5.472 1.00 0.00 C ATOM 1268 CD GLU A 75 81.206 20.532 4.416 1.00 0.00 C ATOM 1269 OE1 GLU A 75 82.336 20.208 4.087 1.00 0.00 O ATOM 1270 OE2 GLU A 75 80.609 21.490 3.951 1.00 0.00 O ATOM 0 H GLU A 75 82.869 17.379 7.710 1.00 0.00 H new ATOM 0 HA GLU A 75 80.136 18.388 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.940 19.821 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 82.366 18.663 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 75 79.906 18.905 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.801 20.304 6.041 1.00 0.00 H new ATOM 1277 N ARG A 76 80.988 16.091 5.677 1.00 0.00 N ATOM 1278 CA ARG A 76 80.402 15.073 4.772 1.00 0.00 C ATOM 1279 C ARG A 76 79.428 14.218 5.579 1.00 0.00 C ATOM 1280 O ARG A 76 78.591 13.525 5.035 1.00 0.00 O ATOM 1281 CB ARG A 76 81.513 14.188 4.201 1.00 0.00 C ATOM 1282 CG ARG A 76 82.441 15.036 3.329 1.00 0.00 C ATOM 1283 CD ARG A 76 83.551 14.153 2.757 1.00 0.00 C ATOM 1284 NE ARG A 76 83.537 14.238 1.270 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.744 13.167 0.553 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.501 12.211 1.015 1.00 0.00 N ATOM 1287 NH2 ARG A 76 83.193 13.053 -0.624 1.00 0.00 N ATOM 0 H ARG A 76 82.003 16.060 5.768 1.00 0.00 H new ATOM 0 HA ARG A 76 79.882 15.559 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.078 13.727 5.011 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.082 13.379 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.876 15.498 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.873 15.845 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.519 14.473 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.408 13.120 3.074 1.00 0.00 H new ATOM 0 HE ARG A 76 83.366 15.133 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.931 12.301 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 76 84.663 11.374 0.456 1.00 0.00 H new ATOM 0 HH21 ARG A 76 82.600 13.801 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 76 83.355 12.216 -1.184 1.00 0.00 H new ATOM 1301 N TYR A 77 79.530 14.266 6.883 1.00 0.00 N ATOM 1302 CA TYR A 77 78.615 13.467 7.734 1.00 0.00 C ATOM 1303 C TYR A 77 77.331 14.257 7.987 1.00 0.00 C ATOM 1304 O TYR A 77 76.764 14.209 9.060 1.00 0.00 O ATOM 1305 CB TYR A 77 79.277 13.166 9.076 1.00 0.00 C ATOM 1306 CG TYR A 77 78.349 12.312 9.906 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.739 11.186 9.338 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.098 12.644 11.242 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.879 10.394 10.107 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.237 11.852 12.010 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.628 10.727 11.443 1.00 0.00 C ATOM 1312 OH TYR A 77 75.779 9.945 12.201 1.00 0.00 O ATOM 0 H TYR A 77 80.212 14.828 7.391 1.00 0.00 H new ATOM 0 HA TYR A 77 78.386 12.533 7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.224 12.650 8.920 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.503 14.095 9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.932 10.929 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.569 13.511 11.680 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.409 9.526 9.669 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.042 12.109 13.041 1.00 0.00 H new ATOM 0 HH TYR A 77 75.715 10.314 13.106 1.00 0.00 H new ATOM 1322 N ARG A 78 76.870 14.989 7.014 1.00 0.00 N ATOM 1323 CA ARG A 78 75.631 15.782 7.210 1.00 0.00 C ATOM 1324 C ARG A 78 74.994 16.102 5.856 1.00 0.00 C ATOM 1325 O ARG A 78 74.255 17.055 5.719 1.00 0.00 O ATOM 1326 CB ARG A 78 75.976 17.083 7.948 1.00 0.00 C ATOM 1327 CG ARG A 78 76.574 18.097 6.970 1.00 0.00 C ATOM 1328 CD ARG A 78 77.846 18.692 7.571 1.00 0.00 C ATOM 1329 NE ARG A 78 77.523 19.974 8.256 1.00 0.00 N ATOM 1330 CZ ARG A 78 77.869 20.153 9.501 1.00 0.00 C ATOM 1331 NH1 ARG A 78 79.113 19.994 9.863 1.00 0.00 N ATOM 1332 NH2 ARG A 78 76.971 20.493 10.386 1.00 0.00 N ATOM 0 H ARG A 78 77.299 15.071 6.092 1.00 0.00 H new ATOM 0 HA ARG A 78 74.921 15.205 7.802 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.080 17.497 8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.684 16.878 8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.799 17.613 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.853 18.887 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 78 78.288 17.991 8.279 1.00 0.00 H new ATOM 0 HD3 ARG A 78 78.585 18.863 6.788 1.00 0.00 H new ATOM 0 HE ARG A 78 77.031 20.712 7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 78 79.815 19.730 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 78 79.383 20.134 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 78 75.999 20.619 10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 78 77.242 20.633 11.359 1.00 0.00 H new ATOM 1346 N ALA A 79 75.271 15.316 4.853 1.00 0.00 N ATOM 1347 CA ALA A 79 74.676 15.583 3.522 1.00 0.00 C ATOM 1348 C ALA A 79 74.107 14.300 2.945 1.00 0.00 C ATOM 1349 O ALA A 79 72.907 14.120 2.864 1.00 0.00 O ATOM 1350 CB ALA A 79 75.742 16.149 2.588 1.00 0.00 C ATOM 0 H ALA A 79 75.884 14.502 4.901 1.00 0.00 H new ATOM 0 HA ALA A 79 73.871 16.310 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.302 16.344 1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.133 17.078 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.554 15.429 2.483 1.00 0.00 H new ATOM 1356 N LEU A 80 74.950 13.397 2.561 1.00 0.00 N ATOM 1357 CA LEU A 80 74.449 12.112 2.011 1.00 0.00 C ATOM 1358 C LEU A 80 73.776 11.330 3.133 1.00 0.00 C ATOM 1359 O LEU A 80 73.197 10.286 2.910 1.00 0.00 O ATOM 1360 CB LEU A 80 75.616 11.301 1.441 1.00 0.00 C ATOM 1361 CG LEU A 80 75.192 10.656 0.120 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.680 11.516 -1.047 1.00 0.00 C ATOM 1363 CD2 LEU A 80 75.807 9.259 0.015 1.00 0.00 C ATOM 0 H LEU A 80 75.965 13.489 2.602 1.00 0.00 H new ATOM 0 HA LEU A 80 73.733 12.305 1.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.479 11.948 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.920 10.533 2.152 1.00 0.00 H new ATOM 0 HG LEU A 80 74.105 10.579 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.378 11.057 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.243 12.512 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.767 11.593 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 80 75.506 8.799 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.894 9.336 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 80 75.460 8.645 0.847 1.00 0.00 H new ATOM 1375 N ILE A 81 73.819 11.830 4.339 1.00 0.00 N ATOM 1376 CA ILE A 81 73.151 11.101 5.443 1.00 0.00 C ATOM 1377 C ILE A 81 71.647 11.158 5.171 1.00 0.00 C ATOM 1378 O ILE A 81 70.911 10.226 5.421 1.00 0.00 O ATOM 1379 CB ILE A 81 73.516 11.718 6.820 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.330 12.486 7.416 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.706 12.657 6.694 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.407 11.497 8.123 1.00 0.00 C ATOM 0 H ILE A 81 74.282 12.700 4.601 1.00 0.00 H new ATOM 0 HA ILE A 81 73.484 10.064 5.483 1.00 0.00 H new ATOM 0 HB ILE A 81 73.775 10.894 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.684 13.240 8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.788 13.012 6.630 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.943 13.077 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.567 12.105 6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.462 13.463 6.002 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.559 12.032 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 81 71.046 10.760 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.956 10.992 8.918 1.00 0.00 H new ATOM 1394 N GLU A 82 71.192 12.248 4.636 1.00 0.00 N ATOM 1395 CA GLU A 82 69.749 12.368 4.326 1.00 0.00 C ATOM 1396 C GLU A 82 69.451 11.678 2.991 1.00 0.00 C ATOM 1397 O GLU A 82 68.312 11.581 2.578 1.00 0.00 O ATOM 1398 CB GLU A 82 69.363 13.846 4.237 1.00 0.00 C ATOM 1399 CG GLU A 82 67.903 14.018 4.662 1.00 0.00 C ATOM 1400 CD GLU A 82 67.020 14.137 3.418 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.528 13.913 2.332 1.00 0.00 O ATOM 1402 OE2 GLU A 82 65.852 14.450 3.573 1.00 0.00 O ATOM 0 H GLU A 82 71.758 13.063 4.399 1.00 0.00 H new ATOM 0 HA GLU A 82 69.170 11.891 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.012 14.442 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 82 69.502 14.208 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 82 67.586 13.168 5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 82 67.796 14.907 5.283 1.00 0.00 H new ATOM 1409 N LYS A 83 70.459 11.196 2.304 1.00 0.00 N ATOM 1410 CA LYS A 83 70.202 10.522 1.006 1.00 0.00 C ATOM 1411 C LYS A 83 71.142 9.323 0.832 1.00 0.00 C ATOM 1412 O LYS A 83 71.825 9.204 -0.165 1.00 0.00 O ATOM 1413 CB LYS A 83 70.425 11.515 -0.136 1.00 0.00 C ATOM 1414 CG LYS A 83 69.399 12.646 -0.037 1.00 0.00 C ATOM 1415 CD LYS A 83 69.704 13.706 -1.098 1.00 0.00 C ATOM 1416 CE LYS A 83 68.487 14.617 -1.272 1.00 0.00 C ATOM 1417 NZ LYS A 83 68.535 15.709 -0.259 1.00 0.00 N ATOM 0 H LYS A 83 71.438 11.242 2.588 1.00 0.00 H new ATOM 0 HA LYS A 83 69.172 10.167 0.990 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.435 11.921 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.332 11.008 -1.096 1.00 0.00 H new ATOM 0 HG2 LYS A 83 68.393 12.252 -0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 83 69.428 13.092 0.957 1.00 0.00 H new ATOM 0 HD2 LYS A 83 70.572 14.294 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.952 13.227 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 83 68.476 15.039 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 83 67.569 14.041 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 67.880 16.468 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 68.257 15.333 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 69.502 16.089 -0.203 1.00 0.00 H new ATOM 1431 N LEU A 84 71.175 8.426 1.782 1.00 0.00 N ATOM 1432 CA LEU A 84 72.063 7.238 1.641 1.00 0.00 C ATOM 1433 C LEU A 84 71.552 6.068 2.499 1.00 0.00 C ATOM 1434 O LEU A 84 71.710 4.918 2.143 1.00 0.00 O ATOM 1435 CB LEU A 84 73.501 7.602 2.044 1.00 0.00 C ATOM 1436 CG LEU A 84 73.672 7.453 3.552 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.986 5.993 3.888 1.00 0.00 C ATOM 1438 CD2 LEU A 84 74.822 8.342 4.032 1.00 0.00 C ATOM 0 H LEU A 84 70.629 8.465 2.643 1.00 0.00 H new ATOM 0 HA LEU A 84 72.055 6.926 0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 84 74.208 6.956 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.724 8.626 1.744 1.00 0.00 H new ATOM 0 HG LEU A 84 72.750 7.754 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.108 5.886 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.167 5.358 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.907 5.694 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.941 8.233 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 84 75.744 8.045 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 84 74.601 9.383 3.795 1.00 0.00 H new ATOM 1450 N GLY A 85 70.957 6.347 3.626 1.00 0.00 N ATOM 1451 CA GLY A 85 70.461 5.240 4.498 1.00 0.00 C ATOM 1452 C GLY A 85 71.361 5.148 5.731 1.00 0.00 C ATOM 1453 O GLY A 85 71.770 4.084 6.148 1.00 0.00 O ATOM 0 H GLY A 85 70.792 7.289 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.429 5.427 4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 85 70.469 4.296 3.953 1.00 0.00 H new ATOM 1457 N ILE A 86 71.688 6.276 6.291 1.00 0.00 N ATOM 1458 CA ILE A 86 72.578 6.330 7.468 1.00 0.00 C ATOM 1459 C ILE A 86 71.763 6.205 8.765 1.00 0.00 C ATOM 1460 O ILE A 86 71.595 5.124 9.293 1.00 0.00 O ATOM 1461 CB ILE A 86 73.294 7.679 7.392 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.828 8.113 8.744 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.322 8.741 6.890 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.376 6.908 9.513 1.00 0.00 C ATOM 0 H ILE A 86 71.362 7.187 5.968 1.00 0.00 H new ATOM 0 HA ILE A 86 73.293 5.508 7.471 1.00 0.00 H new ATOM 0 HB ILE A 86 74.136 7.567 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.615 8.855 8.610 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.035 8.590 9.320 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.831 9.703 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.961 8.465 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.478 8.815 7.576 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.755 7.236 10.481 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.579 6.179 9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.184 6.449 8.943 1.00 0.00 H new ATOM 1476 N ARG A 87 71.255 7.289 9.284 1.00 0.00 N ATOM 1477 CA ARG A 87 70.468 7.232 10.522 1.00 0.00 C ATOM 1478 C ARG A 87 68.985 7.194 10.167 1.00 0.00 C ATOM 1479 O ARG A 87 68.533 6.357 9.412 1.00 0.00 O ATOM 1480 CB ARG A 87 70.802 8.470 11.356 1.00 0.00 C ATOM 1481 CG ARG A 87 72.286 8.454 11.726 1.00 0.00 C ATOM 1482 CD ARG A 87 72.447 8.799 13.208 1.00 0.00 C ATOM 1483 NE ARG A 87 71.679 7.822 14.030 1.00 0.00 N ATOM 1484 CZ ARG A 87 71.421 8.083 15.282 1.00 0.00 C ATOM 1485 NH1 ARG A 87 72.363 7.972 16.178 1.00 0.00 N ATOM 1486 NH2 ARG A 87 70.223 8.457 15.638 1.00 0.00 N ATOM 0 H ARG A 87 71.361 8.222 8.886 1.00 0.00 H new ATOM 0 HA ARG A 87 70.705 6.338 11.099 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.567 9.374 10.794 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.192 8.488 12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.712 7.472 11.522 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.832 9.171 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.501 8.776 13.486 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.090 9.811 13.398 1.00 0.00 H new ATOM 0 HE ARG A 87 71.355 6.949 13.614 1.00 0.00 H new ATOM 0 HH11 ARG A 87 73.300 7.681 15.899 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.162 8.176 17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 87 69.487 8.546 14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 87 70.022 8.661 16.617 1.00 0.00 H new ATOM 1500 N GLY A 88 68.236 8.091 10.705 1.00 0.00 N ATOM 1501 CA GLY A 88 66.774 8.130 10.415 1.00 0.00 C ATOM 1502 C GLY A 88 66.094 6.913 11.045 1.00 0.00 C ATOM 1503 O GLY A 88 64.950 6.658 10.708 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.729 6.256 11.853 1.00 0.00 O ATOM 0 H GLY A 88 68.567 8.814 11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.339 9.048 10.810 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.607 8.136 9.338 1.00 0.00 H new