USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=16 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 52 HIS : no HD1:sc= -1.66 K(o=-2,f=-2.8!) USER MOD Set 1.2: A 57 MET CE :methyl 173:sc= -0.305 (180deg=-0.488) USER MOD Set 2.1: A 41 HIS :FLIP no HE2:sc= -5.15 F(o=-12!,f=-9.6) USER MOD Set 2.2: A 45 HIS : no HE2:sc= -4.47 K(o=-9.6,f=-13!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 142:sc= -0.0171 (180deg=-0.163) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.335 F(o=-0.88,f=-0.34) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -123:sc= 0.377 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -2.66! C(o=-2.7!,f=-9.4!) USER MOD Single : A 32 THR OG1 : rot -160:sc= -1.68! USER MOD Single : A 36 ASN : amide:sc= -0.0788 K(o=-0.079,f=-1.5!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.084 F(o=-0.83,f=-0.084) USER MOD Single : A 50 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0674 USER MOD Single : A 58 MET CE :methyl 176:sc= 0 (180deg=-0.025) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 77 TYR OH : rot 180:sc=-0.00503 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 70.619 -4.115 -13.000 1.00 0.00 N ATOM 37 CA THR A 3 70.321 -3.967 -14.449 1.00 0.00 C ATOM 38 C THR A 3 70.962 -2.681 -14.992 1.00 0.00 C ATOM 39 O THR A 3 71.710 -2.011 -14.309 1.00 0.00 O ATOM 40 CB THR A 3 68.796 -3.954 -14.668 1.00 0.00 C ATOM 41 OG1 THR A 3 68.496 -4.608 -15.893 1.00 0.00 O ATOM 42 CG2 THR A 3 68.258 -2.518 -14.718 1.00 0.00 C ATOM 0 HA THR A 3 70.743 -4.813 -14.992 1.00 0.00 H new ATOM 0 HB THR A 3 68.322 -4.472 -13.834 1.00 0.00 H new ATOM 0 HG1 THR A 3 67.527 -4.604 -16.037 1.00 0.00 H new ATOM 0 HG21 THR A 3 67.179 -2.539 -14.873 1.00 0.00 H new ATOM 0 HG22 THR A 3 68.479 -2.014 -13.777 1.00 0.00 H new ATOM 0 HG23 THR A 3 68.733 -1.980 -15.539 1.00 0.00 H new ATOM 50 N LYS A 4 70.676 -2.344 -16.222 1.00 0.00 N ATOM 51 CA LYS A 4 71.267 -1.115 -16.823 1.00 0.00 C ATOM 52 C LYS A 4 70.824 0.121 -16.036 1.00 0.00 C ATOM 53 O LYS A 4 71.637 0.852 -15.506 1.00 0.00 O ATOM 54 CB LYS A 4 70.802 -0.985 -18.275 1.00 0.00 C ATOM 55 CG LYS A 4 71.916 -1.452 -19.213 1.00 0.00 C ATOM 56 CD LYS A 4 71.535 -1.133 -20.659 1.00 0.00 C ATOM 57 CE LYS A 4 72.214 -2.131 -21.599 1.00 0.00 C ATOM 58 NZ LYS A 4 71.289 -2.467 -22.719 1.00 0.00 N ATOM 0 H LYS A 4 70.056 -2.870 -16.838 1.00 0.00 H new ATOM 0 HA LYS A 4 72.354 -1.189 -16.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.904 -1.582 -18.435 1.00 0.00 H new ATOM 0 HB3 LYS A 4 70.540 0.050 -18.492 1.00 0.00 H new ATOM 0 HG2 LYS A 4 72.853 -0.958 -18.956 1.00 0.00 H new ATOM 0 HG3 LYS A 4 72.078 -2.524 -19.097 1.00 0.00 H new ATOM 0 HD2 LYS A 4 70.453 -1.182 -20.780 1.00 0.00 H new ATOM 0 HD3 LYS A 4 71.838 -0.117 -20.910 1.00 0.00 H new ATOM 0 HE2 LYS A 4 73.138 -1.707 -21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 4 72.485 -3.035 -21.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 71.750 -3.145 -23.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 70.419 -2.889 -22.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 71.052 -1.602 -23.245 1.00 0.00 H new ATOM 72 N GLU A 5 69.543 0.365 -15.958 1.00 0.00 N ATOM 73 CA GLU A 5 69.058 1.558 -15.211 1.00 0.00 C ATOM 74 C GLU A 5 68.876 1.211 -13.739 1.00 0.00 C ATOM 75 O GLU A 5 68.223 1.912 -12.991 1.00 0.00 O ATOM 76 CB GLU A 5 67.729 2.021 -15.794 1.00 0.00 C ATOM 77 CG GLU A 5 67.898 3.403 -16.426 1.00 0.00 C ATOM 78 CD GLU A 5 68.383 4.394 -15.367 1.00 0.00 C ATOM 79 OE1 GLU A 5 68.424 4.017 -14.206 1.00 0.00 O ATOM 80 OE2 GLU A 5 68.704 5.513 -15.732 1.00 0.00 O ATOM 0 H GLU A 5 68.814 -0.210 -16.379 1.00 0.00 H new ATOM 0 HA GLU A 5 69.793 2.358 -15.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 67.381 1.308 -16.542 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.971 2.058 -15.012 1.00 0.00 H new ATOM 0 HG2 GLU A 5 68.613 3.354 -17.247 1.00 0.00 H new ATOM 0 HG3 GLU A 5 66.951 3.740 -16.848 1.00 0.00 H new ATOM 87 N GLU A 6 69.464 0.142 -13.328 1.00 0.00 N ATOM 88 CA GLU A 6 69.366 -0.283 -11.910 1.00 0.00 C ATOM 89 C GLU A 6 70.508 0.334 -11.117 1.00 0.00 C ATOM 90 O GLU A 6 70.702 0.066 -9.948 1.00 0.00 O ATOM 91 CB GLU A 6 69.465 -1.796 -11.846 1.00 0.00 C ATOM 92 CG GLU A 6 68.065 -2.409 -11.931 1.00 0.00 C ATOM 93 CD GLU A 6 67.445 -2.462 -10.533 1.00 0.00 C ATOM 94 OE1 GLU A 6 67.862 -1.684 -9.693 1.00 0.00 O ATOM 95 OE2 GLU A 6 66.563 -3.279 -10.329 1.00 0.00 O ATOM 0 H GLU A 6 70.021 -0.473 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 6 68.416 0.045 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.084 -2.164 -12.664 1.00 0.00 H new ATOM 0 HB3 GLU A 6 69.950 -2.099 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 6 67.437 -1.817 -12.597 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.121 -3.412 -12.354 1.00 0.00 H new ATOM 102 N LYS A 7 71.257 1.156 -11.764 1.00 0.00 N ATOM 103 CA LYS A 7 72.405 1.823 -11.102 1.00 0.00 C ATOM 104 C LYS A 7 72.501 3.279 -11.567 1.00 0.00 C ATOM 105 O LYS A 7 72.907 4.149 -10.825 1.00 0.00 O ATOM 106 CB LYS A 7 73.697 1.088 -11.459 1.00 0.00 C ATOM 107 CG LYS A 7 73.802 0.948 -12.979 1.00 0.00 C ATOM 108 CD LYS A 7 74.385 2.233 -13.572 1.00 0.00 C ATOM 109 CE LYS A 7 75.770 1.946 -14.153 1.00 0.00 C ATOM 110 NZ LYS A 7 75.809 2.374 -15.580 1.00 0.00 N ATOM 0 H LYS A 7 71.126 1.404 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 7 72.258 1.801 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.557 1.635 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.709 0.104 -10.991 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.435 0.098 -13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 7 72.818 0.752 -13.405 1.00 0.00 H new ATOM 0 HD2 LYS A 7 73.726 2.619 -14.350 1.00 0.00 H new ATOM 0 HD3 LYS A 7 74.454 3.002 -12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.532 2.476 -13.582 1.00 0.00 H new ATOM 0 HE3 LYS A 7 75.996 0.882 -14.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 76.751 2.179 -15.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.091 1.849 -16.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 75.612 3.393 -15.642 1.00 0.00 H new ATOM 124 N GLN A 8 72.137 3.553 -12.790 1.00 0.00 N ATOM 125 CA GLN A 8 72.214 4.952 -13.295 1.00 0.00 C ATOM 126 C GLN A 8 71.455 5.882 -12.347 1.00 0.00 C ATOM 127 O GLN A 8 71.891 6.979 -12.057 1.00 0.00 O ATOM 128 CB GLN A 8 71.589 5.024 -14.690 1.00 0.00 C ATOM 129 CG GLN A 8 72.681 5.297 -15.726 1.00 0.00 C ATOM 130 CD GLN A 8 72.231 4.775 -17.091 1.00 0.00 C ATOM 131 OE1 GLN A 8 71.634 5.497 -17.864 1.00 0.00 O ATOM 132 NE2 GLN A 8 72.494 3.541 -17.423 1.00 0.00 N ATOM 0 H GLN A 8 71.790 2.868 -13.461 1.00 0.00 H new ATOM 0 HA GLN A 8 73.258 5.262 -13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.080 4.088 -14.921 1.00 0.00 H new ATOM 0 HB3 GLN A 8 70.837 5.812 -14.723 1.00 0.00 H new ATOM 0 HG2 GLN A 8 72.884 6.366 -15.783 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.610 4.811 -15.427 1.00 0.00 H new ATOM 0 HE21 GLN A 8 72.995 2.934 -16.774 1.00 0.00 H new ATOM 0 HE22 GLN A 8 72.198 3.183 -18.331 1.00 0.00 H new ATOM 141 N LYS A 9 70.318 5.458 -11.869 1.00 0.00 N ATOM 142 CA LYS A 9 69.528 6.317 -10.948 1.00 0.00 C ATOM 143 C LYS A 9 70.171 6.323 -9.558 1.00 0.00 C ATOM 144 O LYS A 9 70.058 7.280 -8.818 1.00 0.00 O ATOM 145 CB LYS A 9 68.100 5.776 -10.846 1.00 0.00 C ATOM 146 CG LYS A 9 67.235 6.406 -11.938 1.00 0.00 C ATOM 147 CD LYS A 9 66.544 7.655 -11.386 1.00 0.00 C ATOM 148 CE LYS A 9 66.799 8.836 -12.323 1.00 0.00 C ATOM 149 NZ LYS A 9 67.845 9.719 -11.734 1.00 0.00 N ATOM 0 H LYS A 9 69.902 4.550 -12.078 1.00 0.00 H new ATOM 0 HA LYS A 9 69.508 7.335 -11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.103 4.691 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.684 6.000 -9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.851 6.669 -12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 9 66.491 5.689 -12.286 1.00 0.00 H new ATOM 0 HD2 LYS A 9 65.473 7.478 -11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.921 7.881 -10.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.120 8.476 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.878 9.398 -12.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 68.462 10.079 -12.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 67.391 10.519 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 68.413 9.177 -11.052 1.00 0.00 H new ATOM 163 N VAL A 10 70.840 5.263 -9.197 1.00 0.00 N ATOM 164 CA VAL A 10 71.482 5.208 -7.855 1.00 0.00 C ATOM 165 C VAL A 10 72.593 6.252 -7.773 1.00 0.00 C ATOM 166 O VAL A 10 72.595 7.109 -6.910 1.00 0.00 O ATOM 167 CB VAL A 10 72.075 3.816 -7.631 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.728 3.756 -6.249 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.962 2.769 -7.714 1.00 0.00 C ATOM 0 H VAL A 10 70.970 4.432 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 10 70.735 5.415 -7.089 1.00 0.00 H new ATOM 0 HB VAL A 10 72.824 3.613 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.151 2.764 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.520 4.502 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.979 3.959 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.383 1.777 -7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.213 2.973 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.495 2.811 -8.698 1.00 0.00 H new ATOM 179 N ILE A 11 73.542 6.182 -8.660 1.00 0.00 N ATOM 180 CA ILE A 11 74.664 7.159 -8.639 1.00 0.00 C ATOM 181 C ILE A 11 74.143 8.532 -9.025 1.00 0.00 C ATOM 182 O ILE A 11 74.458 9.536 -8.423 1.00 0.00 O ATOM 183 CB ILE A 11 75.764 6.713 -9.615 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.571 7.288 -11.033 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.792 5.188 -9.688 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.496 6.505 -11.778 1.00 0.00 C ATOM 0 H ILE A 11 73.590 5.486 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 11 75.088 7.206 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 11 76.709 7.099 -9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.289 8.339 -10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.511 7.242 -11.583 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.572 4.871 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.997 4.780 -8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.826 4.823 -10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.370 6.921 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.795 5.460 -11.855 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.554 6.574 -11.235 1.00 0.00 H new ATOM 198 N GLN A 12 73.350 8.559 -10.042 1.00 0.00 N ATOM 199 CA GLN A 12 72.767 9.846 -10.529 1.00 0.00 C ATOM 200 C GLN A 12 72.429 10.709 -9.317 1.00 0.00 C ATOM 201 O GLN A 12 72.596 11.911 -9.320 1.00 0.00 O ATOM 202 CB GLN A 12 71.493 9.563 -11.329 1.00 0.00 C ATOM 203 CG GLN A 12 71.832 9.494 -12.820 1.00 0.00 C ATOM 204 CD GLN A 12 72.101 10.904 -13.348 1.00 0.00 C ATOM 205 OE1 GLN A 12 73.325 11.358 -13.369 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 71.189 11.601 -13.747 1.00 0.00 N flip ATOM 0 H GLN A 12 73.069 7.735 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 12 73.480 10.362 -11.171 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.047 8.624 -11.003 1.00 0.00 H new ATOM 0 HB3 GLN A 12 70.756 10.345 -11.148 1.00 0.00 H new ATOM 0 HG2 GLN A 12 72.707 8.863 -12.976 1.00 0.00 H new ATOM 0 HG3 GLN A 12 71.008 9.039 -13.370 1.00 0.00 H new ATOM 0 HE21 GLN A 12 70.232 11.247 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 12 71.380 12.540 -14.098 1.00 0.00 H new ATOM 215 N GLU A 13 71.984 10.080 -8.266 1.00 0.00 N ATOM 216 CA GLU A 13 71.664 10.825 -7.026 1.00 0.00 C ATOM 217 C GLU A 13 72.913 10.857 -6.144 1.00 0.00 C ATOM 218 O GLU A 13 73.191 11.829 -5.471 1.00 0.00 O ATOM 219 CB GLU A 13 70.524 10.127 -6.281 1.00 0.00 C ATOM 220 CG GLU A 13 69.556 11.177 -5.732 1.00 0.00 C ATOM 221 CD GLU A 13 68.159 10.566 -5.601 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.059 9.475 -5.065 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.213 11.201 -6.038 1.00 0.00 O ATOM 0 H GLU A 13 71.828 9.073 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 13 71.353 11.840 -7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.998 9.448 -6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.924 9.524 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.901 11.533 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 13 69.526 12.041 -6.396 1.00 0.00 H new ATOM 230 N PHE A 14 73.668 9.790 -6.151 1.00 0.00 N ATOM 231 CA PHE A 14 74.899 9.728 -5.329 1.00 0.00 C ATOM 232 C PHE A 14 76.081 10.275 -6.130 1.00 0.00 C ATOM 233 O PHE A 14 76.617 11.323 -5.830 1.00 0.00 O ATOM 234 CB PHE A 14 75.177 8.275 -4.951 1.00 0.00 C ATOM 235 CG PHE A 14 74.213 7.835 -3.876 1.00 0.00 C ATOM 236 CD1 PHE A 14 74.176 8.509 -2.650 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.355 6.754 -4.107 1.00 0.00 C ATOM 238 CE1 PHE A 14 73.281 8.101 -1.654 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.460 6.346 -3.112 1.00 0.00 C ATOM 240 CZ PHE A 14 72.422 7.020 -1.886 1.00 0.00 C ATOM 0 H PHE A 14 73.477 8.952 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 14 74.764 10.326 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.076 7.635 -5.828 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.203 8.171 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.838 9.344 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.384 6.235 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 14 73.253 8.620 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.799 5.511 -3.290 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.730 6.706 -1.119 1.00 0.00 H new ATOM 250 N ALA A 15 76.496 9.566 -7.143 1.00 0.00 N ATOM 251 CA ALA A 15 77.645 10.033 -7.960 1.00 0.00 C ATOM 252 C ALA A 15 77.250 11.271 -8.759 1.00 0.00 C ATOM 253 O ALA A 15 76.269 11.273 -9.476 1.00 0.00 O ATOM 254 CB ALA A 15 78.060 8.930 -8.930 1.00 0.00 C ATOM 0 H ALA A 15 76.086 8.680 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 15 78.474 10.279 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.903 9.272 -9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.350 8.042 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.223 8.688 -9.585 1.00 0.00 H new ATOM 260 N ARG A 16 78.017 12.319 -8.662 1.00 0.00 N ATOM 261 CA ARG A 16 77.692 13.543 -9.438 1.00 0.00 C ATOM 262 C ARG A 16 78.528 13.539 -10.712 1.00 0.00 C ATOM 263 O ARG A 16 78.865 14.570 -11.260 1.00 0.00 O ATOM 264 CB ARG A 16 78.012 14.788 -8.608 1.00 0.00 C ATOM 265 CG ARG A 16 79.383 14.624 -7.949 1.00 0.00 C ATOM 266 CD ARG A 16 79.201 14.195 -6.491 1.00 0.00 C ATOM 267 NE ARG A 16 78.644 15.332 -5.706 1.00 0.00 N ATOM 268 CZ ARG A 16 79.341 16.427 -5.558 1.00 0.00 C ATOM 269 NH1 ARG A 16 80.630 16.358 -5.367 1.00 0.00 N ATOM 270 NH2 ARG A 16 78.747 17.588 -5.599 1.00 0.00 N ATOM 0 H ARG A 16 78.853 12.380 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 16 76.631 13.557 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.006 15.673 -9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.246 14.937 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.970 13.880 -8.487 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.936 15.562 -7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.531 13.337 -6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.157 13.882 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 16 77.718 15.256 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.093 15.450 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 16 81.175 17.212 -5.251 1.00 0.00 H new ATOM 0 HH21 ARG A 16 77.739 17.640 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 16 79.291 18.443 -5.483 1.00 0.00 H new ATOM 284 N PHE A 17 78.868 12.372 -11.178 1.00 0.00 N ATOM 285 CA PHE A 17 79.689 12.263 -12.412 1.00 0.00 C ATOM 286 C PHE A 17 79.694 10.805 -12.867 1.00 0.00 C ATOM 287 O PHE A 17 79.274 9.930 -12.137 1.00 0.00 O ATOM 288 CB PHE A 17 81.120 12.712 -12.098 1.00 0.00 C ATOM 289 CG PHE A 17 81.281 14.172 -12.450 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.865 14.644 -13.701 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.846 15.056 -11.522 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.015 15.997 -14.024 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.996 16.410 -11.845 1.00 0.00 C ATOM 294 CZ PHE A 17 81.581 16.880 -13.096 1.00 0.00 C ATOM 0 H PHE A 17 78.610 11.482 -10.753 1.00 0.00 H new ATOM 0 HA PHE A 17 79.277 12.892 -13.201 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.337 12.556 -11.041 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.833 12.111 -12.662 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.428 13.963 -14.417 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.166 14.693 -10.557 1.00 0.00 H new ATOM 0 HE1 PHE A 17 80.694 16.361 -14.989 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.432 17.091 -11.129 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.697 17.924 -13.346 1.00 0.00 H new ATOM 304 N PRO A 18 80.183 10.582 -14.056 1.00 0.00 N ATOM 305 CA PRO A 18 80.272 9.230 -14.628 1.00 0.00 C ATOM 306 C PRO A 18 81.406 8.451 -13.956 1.00 0.00 C ATOM 307 O PRO A 18 81.667 7.310 -14.280 1.00 0.00 O ATOM 308 CB PRO A 18 80.557 9.483 -16.111 1.00 0.00 C ATOM 309 CG PRO A 18 81.155 10.906 -16.201 1.00 0.00 C ATOM 310 CD PRO A 18 80.698 11.651 -14.937 1.00 0.00 C ATOM 0 HA PRO A 18 79.372 8.632 -14.482 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.254 8.743 -16.505 1.00 0.00 H new ATOM 0 HB3 PRO A 18 79.644 9.407 -16.701 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.243 10.867 -16.257 1.00 0.00 H new ATOM 0 HG3 PRO A 18 80.808 11.417 -17.099 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.523 12.189 -14.471 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.926 12.386 -15.165 1.00 0.00 H new ATOM 318 N GLY A 19 82.074 9.061 -13.013 1.00 0.00 N ATOM 319 CA GLY A 19 83.182 8.363 -12.307 1.00 0.00 C ATOM 320 C GLY A 19 83.005 8.528 -10.794 1.00 0.00 C ATOM 321 O GLY A 19 83.778 8.007 -10.013 1.00 0.00 O ATOM 0 H GLY A 19 81.897 10.016 -12.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.187 7.305 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.142 8.773 -12.619 1.00 0.00 H new ATOM 325 N ASP A 20 81.995 9.245 -10.368 1.00 0.00 N ATOM 326 CA ASP A 20 81.782 9.430 -8.909 1.00 0.00 C ATOM 327 C ASP A 20 80.874 8.326 -8.381 1.00 0.00 C ATOM 328 O ASP A 20 80.286 8.429 -7.324 1.00 0.00 O ATOM 329 CB ASP A 20 81.153 10.800 -8.641 1.00 0.00 C ATOM 330 CG ASP A 20 82.017 11.573 -7.644 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.434 10.978 -6.665 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.247 12.749 -7.877 1.00 0.00 O ATOM 0 H ASP A 20 81.313 9.707 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 20 82.743 9.379 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.065 11.360 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.145 10.678 -8.246 1.00 0.00 H new ATOM 337 N THR A 21 80.779 7.267 -9.116 1.00 0.00 N ATOM 338 CA THR A 21 79.933 6.116 -8.691 1.00 0.00 C ATOM 339 C THR A 21 80.797 5.153 -7.882 1.00 0.00 C ATOM 340 O THR A 21 80.310 4.382 -7.080 1.00 0.00 O ATOM 341 CB THR A 21 79.381 5.398 -9.925 1.00 0.00 C ATOM 342 OG1 THR A 21 80.375 4.530 -10.449 1.00 0.00 O ATOM 343 CG2 THR A 21 78.989 6.428 -10.985 1.00 0.00 C ATOM 0 H THR A 21 81.256 7.141 -10.009 1.00 0.00 H new ATOM 0 HA THR A 21 79.099 6.470 -8.085 1.00 0.00 H new ATOM 0 HB THR A 21 78.502 4.817 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.023 4.068 -11.238 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.596 5.915 -11.863 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.225 7.093 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 21 79.866 7.011 -11.267 1.00 0.00 H new ATOM 351 N GLY A 22 82.084 5.207 -8.082 1.00 0.00 N ATOM 352 CA GLY A 22 82.993 4.312 -7.319 1.00 0.00 C ATOM 353 C GLY A 22 83.459 5.041 -6.059 1.00 0.00 C ATOM 354 O GLY A 22 84.121 4.478 -5.210 1.00 0.00 O ATOM 0 H GLY A 22 82.545 5.834 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.478 3.389 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.850 4.033 -7.932 1.00 0.00 H new ATOM 358 N SER A 23 83.113 6.296 -5.930 1.00 0.00 N ATOM 359 CA SER A 23 83.533 7.063 -4.723 1.00 0.00 C ATOM 360 C SER A 23 83.099 6.309 -3.465 1.00 0.00 C ATOM 361 O SER A 23 82.045 5.706 -3.424 1.00 0.00 O ATOM 362 CB SER A 23 82.875 8.443 -4.741 1.00 0.00 C ATOM 363 OG SER A 23 83.556 9.300 -3.833 1.00 0.00 O ATOM 0 H SER A 23 82.559 6.820 -6.607 1.00 0.00 H new ATOM 0 HA SER A 23 84.617 7.177 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 23 82.907 8.861 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.824 8.361 -4.463 1.00 0.00 H new ATOM 0 HG SER A 23 82.920 9.650 -3.174 1.00 0.00 H new ATOM 369 N THR A 24 83.904 6.335 -2.438 1.00 0.00 N ATOM 370 CA THR A 24 83.534 5.618 -1.185 1.00 0.00 C ATOM 371 C THR A 24 82.108 5.996 -0.782 1.00 0.00 C ATOM 372 O THR A 24 81.427 5.252 -0.105 1.00 0.00 O ATOM 373 CB THR A 24 84.502 6.013 -0.066 1.00 0.00 C ATOM 374 OG1 THR A 24 85.762 5.397 -0.292 1.00 0.00 O ATOM 375 CG2 THR A 24 83.941 5.554 1.282 1.00 0.00 C ATOM 0 H THR A 24 84.800 6.821 -2.412 1.00 0.00 H new ATOM 0 HA THR A 24 83.591 4.542 -1.352 1.00 0.00 H new ATOM 0 HB THR A 24 84.624 7.096 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.383 5.650 0.423 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.631 5.835 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.975 6.028 1.454 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.818 4.471 1.275 1.00 0.00 H new ATOM 383 N GLU A 25 81.650 7.146 -1.192 1.00 0.00 N ATOM 384 CA GLU A 25 80.269 7.570 -0.831 1.00 0.00 C ATOM 385 C GLU A 25 79.258 6.696 -1.573 1.00 0.00 C ATOM 386 O GLU A 25 78.561 5.893 -0.985 1.00 0.00 O ATOM 387 CB GLU A 25 80.067 9.030 -1.238 1.00 0.00 C ATOM 388 CG GLU A 25 80.480 9.944 -0.085 1.00 0.00 C ATOM 389 CD GLU A 25 81.839 10.575 -0.397 1.00 0.00 C ATOM 390 OE1 GLU A 25 82.162 10.690 -1.567 1.00 0.00 O ATOM 391 OE2 GLU A 25 82.533 10.932 0.541 1.00 0.00 O ATOM 0 H GLU A 25 82.173 7.811 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 25 80.124 7.464 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.659 9.256 -2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 25 79.023 9.205 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.731 10.722 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 25 80.536 9.375 0.843 1.00 0.00 H new ATOM 398 N VAL A 26 79.175 6.853 -2.864 1.00 0.00 N ATOM 399 CA VAL A 26 78.213 6.042 -3.659 1.00 0.00 C ATOM 400 C VAL A 26 78.338 4.568 -3.273 1.00 0.00 C ATOM 401 O VAL A 26 77.404 3.802 -3.402 1.00 0.00 O ATOM 402 CB VAL A 26 78.523 6.207 -5.148 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.391 5.602 -5.979 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.657 7.696 -5.475 1.00 0.00 C ATOM 0 H VAL A 26 79.735 7.512 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 26 77.198 6.382 -3.455 1.00 0.00 H new ATOM 0 HB VAL A 26 79.456 5.695 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.614 5.721 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.295 4.542 -5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.456 6.111 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.878 7.817 -6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.723 8.206 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.465 8.127 -4.884 1.00 0.00 H new ATOM 414 N GLN A 27 79.485 4.160 -2.802 1.00 0.00 N ATOM 415 CA GLN A 27 79.655 2.736 -2.413 1.00 0.00 C ATOM 416 C GLN A 27 78.884 2.471 -1.126 1.00 0.00 C ATOM 417 O GLN A 27 78.058 1.587 -1.063 1.00 0.00 O ATOM 418 CB GLN A 27 81.139 2.429 -2.203 1.00 0.00 C ATOM 419 CG GLN A 27 81.931 2.870 -3.435 1.00 0.00 C ATOM 420 CD GLN A 27 82.296 1.645 -4.275 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.439 0.861 -4.632 1.00 0.00 O ATOM 422 NE2 GLN A 27 83.543 1.444 -4.606 1.00 0.00 N ATOM 0 H GLN A 27 80.307 4.750 -2.671 1.00 0.00 H new ATOM 0 HA GLN A 27 79.270 2.094 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.506 2.947 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 27 81.280 1.362 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.341 3.568 -4.029 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.835 3.397 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 27 84.263 2.102 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.798 0.629 -5.164 1.00 0.00 H new ATOM 431 N VAL A 28 79.129 3.236 -0.101 1.00 0.00 N ATOM 432 CA VAL A 28 78.379 3.020 1.162 1.00 0.00 C ATOM 433 C VAL A 28 76.898 2.902 0.813 1.00 0.00 C ATOM 434 O VAL A 28 76.155 2.183 1.444 1.00 0.00 O ATOM 435 CB VAL A 28 78.601 4.215 2.095 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.623 4.142 3.267 1.00 0.00 C ATOM 437 CG2 VAL A 28 80.036 4.186 2.624 1.00 0.00 C ATOM 0 H VAL A 28 79.810 3.995 -0.084 1.00 0.00 H new ATOM 0 HA VAL A 28 78.721 2.115 1.664 1.00 0.00 H new ATOM 0 HB VAL A 28 78.433 5.141 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.784 4.993 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.601 4.164 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.786 3.217 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 28 80.196 5.035 3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 80.203 3.259 3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.733 4.243 1.788 1.00 0.00 H new ATOM 447 N ALA A 29 76.466 3.586 -0.210 1.00 0.00 N ATOM 448 CA ALA A 29 75.042 3.483 -0.609 1.00 0.00 C ATOM 449 C ALA A 29 74.808 2.094 -1.191 1.00 0.00 C ATOM 450 O ALA A 29 73.845 1.428 -0.866 1.00 0.00 O ATOM 451 CB ALA A 29 74.714 4.546 -1.657 1.00 0.00 C ATOM 0 H ALA A 29 77.037 4.208 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 29 74.399 3.642 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.666 4.463 -1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.899 5.536 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.343 4.398 -2.535 1.00 0.00 H new ATOM 457 N LEU A 30 75.694 1.638 -2.038 1.00 0.00 N ATOM 458 CA LEU A 30 75.524 0.285 -2.615 1.00 0.00 C ATOM 459 C LEU A 30 75.697 -0.747 -1.495 1.00 0.00 C ATOM 460 O LEU A 30 75.395 -1.913 -1.656 1.00 0.00 O ATOM 461 CB LEU A 30 76.566 0.068 -3.727 1.00 0.00 C ATOM 462 CG LEU A 30 77.857 -0.531 -3.156 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.769 -2.058 -3.185 1.00 0.00 C ATOM 464 CD2 LEU A 30 79.047 -0.075 -4.003 1.00 0.00 C ATOM 0 H LEU A 30 76.522 2.146 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 30 74.531 0.176 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 76.158 -0.596 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.786 1.017 -4.216 1.00 0.00 H new ATOM 0 HG LEU A 30 77.989 -0.194 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.687 -2.483 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.921 -2.385 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.637 -2.395 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.966 -0.500 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.913 -0.413 -5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 30 79.111 1.013 -3.984 1.00 0.00 H new ATOM 476 N LEU A 31 76.181 -0.318 -0.358 1.00 0.00 N ATOM 477 CA LEU A 31 76.374 -1.256 0.774 1.00 0.00 C ATOM 478 C LEU A 31 74.989 -1.625 1.317 1.00 0.00 C ATOM 479 O LEU A 31 74.773 -2.698 1.844 1.00 0.00 O ATOM 480 CB LEU A 31 77.220 -0.569 1.865 1.00 0.00 C ATOM 481 CG LEU A 31 76.312 0.084 2.906 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.873 -0.967 3.927 1.00 0.00 C ATOM 483 CD2 LEU A 31 77.061 1.205 3.627 1.00 0.00 C ATOM 0 H LEU A 31 76.450 0.648 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 31 76.896 -2.157 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.869 -1.301 2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.867 0.183 1.414 1.00 0.00 H new ATOM 0 HG LEU A 31 75.439 0.502 2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.225 -0.503 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.330 -1.764 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.751 -1.384 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.405 1.664 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.939 0.794 4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.374 1.958 2.903 1.00 0.00 H new ATOM 495 N THR A 32 74.059 -0.718 1.192 1.00 0.00 N ATOM 496 CA THR A 32 72.681 -0.966 1.694 1.00 0.00 C ATOM 497 C THR A 32 71.924 -1.863 0.706 1.00 0.00 C ATOM 498 O THR A 32 71.254 -2.799 1.092 1.00 0.00 O ATOM 499 CB THR A 32 71.969 0.392 1.870 1.00 0.00 C ATOM 500 OG1 THR A 32 71.160 0.349 3.037 1.00 0.00 O ATOM 501 CG2 THR A 32 71.090 0.716 0.656 1.00 0.00 C ATOM 0 H THR A 32 74.199 0.194 0.758 1.00 0.00 H new ATOM 0 HA THR A 32 72.712 -1.478 2.656 1.00 0.00 H new ATOM 0 HB THR A 32 72.727 1.170 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.480 1.053 2.990 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.601 1.678 0.808 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.709 0.761 -0.240 1.00 0.00 H new ATOM 0 HG23 THR A 32 70.334 -0.060 0.536 1.00 0.00 H new ATOM 509 N LEU A 33 72.021 -1.579 -0.563 1.00 0.00 N ATOM 510 CA LEU A 33 71.304 -2.409 -1.571 1.00 0.00 C ATOM 511 C LEU A 33 71.735 -3.870 -1.439 1.00 0.00 C ATOM 512 O LEU A 33 70.926 -4.746 -1.217 1.00 0.00 O ATOM 513 CB LEU A 33 71.638 -1.905 -2.977 1.00 0.00 C ATOM 514 CG LEU A 33 70.733 -2.599 -3.997 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.357 -1.930 -3.996 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.354 -2.485 -5.391 1.00 0.00 C ATOM 0 H LEU A 33 72.567 -0.807 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 33 70.230 -2.333 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 33 71.501 -0.825 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.684 -2.106 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 33 70.626 -3.651 -3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 33 68.712 -2.424 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 33 68.914 -2.011 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.464 -0.878 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.710 -2.979 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.461 -1.433 -5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.335 -2.961 -5.393 1.00 0.00 H new ATOM 528 N ARG A 34 73.004 -4.141 -1.573 1.00 0.00 N ATOM 529 CA ARG A 34 73.483 -5.547 -1.456 1.00 0.00 C ATOM 530 C ARG A 34 73.020 -6.141 -0.123 1.00 0.00 C ATOM 531 O ARG A 34 73.015 -7.342 0.061 1.00 0.00 O ATOM 532 CB ARG A 34 75.011 -5.572 -1.521 1.00 0.00 C ATOM 533 CG ARG A 34 75.461 -6.597 -2.563 1.00 0.00 C ATOM 534 CD ARG A 34 76.930 -6.358 -2.913 1.00 0.00 C ATOM 535 NE ARG A 34 77.591 -7.662 -3.200 1.00 0.00 N ATOM 536 CZ ARG A 34 78.887 -7.774 -3.094 1.00 0.00 C ATOM 537 NH1 ARG A 34 79.662 -7.316 -4.040 1.00 0.00 N ATOM 538 NH2 ARG A 34 79.409 -8.342 -2.042 1.00 0.00 N ATOM 0 H ARG A 34 73.730 -3.449 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 34 73.073 -6.137 -2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.391 -4.584 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.423 -5.826 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.328 -7.607 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.845 -6.515 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 34 77.006 -5.701 -3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 34 77.435 -5.856 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 34 77.031 -8.467 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 34 79.255 -6.871 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 34 80.675 -7.404 -3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 34 78.804 -8.699 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.422 -8.429 -1.959 1.00 0.00 H new ATOM 552 N ILE A 35 72.637 -5.312 0.808 1.00 0.00 N ATOM 553 CA ILE A 35 72.183 -5.816 2.123 1.00 0.00 C ATOM 554 C ILE A 35 70.737 -6.315 2.002 1.00 0.00 C ATOM 555 O ILE A 35 70.425 -7.443 2.326 1.00 0.00 O ATOM 556 CB ILE A 35 72.287 -4.654 3.129 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.417 -4.937 4.115 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.979 -4.463 3.899 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.348 -3.726 4.164 1.00 0.00 C ATOM 0 H ILE A 35 72.621 -4.297 0.707 1.00 0.00 H new ATOM 0 HA ILE A 35 72.798 -6.649 2.463 1.00 0.00 H new ATOM 0 HB ILE A 35 72.491 -3.740 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 73.010 -5.140 5.106 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.970 -5.825 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 71.087 -3.635 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.173 -4.243 3.199 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.743 -5.375 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.159 -3.919 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.762 -3.545 3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.788 -2.849 4.489 1.00 0.00 H new ATOM 571 N ASN A 36 69.856 -5.464 1.556 1.00 0.00 N ATOM 572 CA ASN A 36 68.425 -5.857 1.427 1.00 0.00 C ATOM 573 C ASN A 36 68.278 -7.041 0.465 1.00 0.00 C ATOM 574 O ASN A 36 67.513 -7.953 0.708 1.00 0.00 O ATOM 575 CB ASN A 36 67.621 -4.670 0.893 1.00 0.00 C ATOM 576 CG ASN A 36 67.416 -3.649 2.014 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.257 -4.014 3.162 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.411 -2.376 1.728 1.00 0.00 N ATOM 0 H ASN A 36 70.067 -4.507 1.273 1.00 0.00 H new ATOM 0 HA ASN A 36 68.051 -6.151 2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.146 -4.208 0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.657 -5.010 0.515 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.274 -1.688 2.468 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.544 -2.069 0.764 1.00 0.00 H new ATOM 585 N ARG A 37 68.991 -7.036 -0.630 1.00 0.00 N ATOM 586 CA ARG A 37 68.865 -8.161 -1.595 1.00 0.00 C ATOM 587 C ARG A 37 69.746 -9.330 -1.167 1.00 0.00 C ATOM 588 O ARG A 37 69.929 -10.289 -1.891 1.00 0.00 O ATOM 589 CB ARG A 37 69.274 -7.693 -2.991 1.00 0.00 C ATOM 590 CG ARG A 37 68.022 -7.358 -3.804 1.00 0.00 C ATOM 591 CD ARG A 37 67.102 -8.578 -3.855 1.00 0.00 C ATOM 592 NE ARG A 37 66.378 -8.603 -5.157 1.00 0.00 N ATOM 593 CZ ARG A 37 67.046 -8.529 -6.276 1.00 0.00 C ATOM 594 NH1 ARG A 37 68.141 -9.223 -6.430 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.620 -7.762 -7.241 1.00 0.00 N ATOM 0 H ARG A 37 69.651 -6.305 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 37 67.826 -8.492 -1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.918 -6.817 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.849 -8.471 -3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.499 -6.514 -3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.301 -7.058 -4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.685 -9.491 -3.734 1.00 0.00 H new ATOM 0 HD3 ARG A 37 66.389 -8.543 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 37 65.361 -8.678 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.475 -9.823 -5.676 1.00 0.00 H new ATOM 0 HH12 ARG A 37 68.663 -9.165 -7.305 1.00 0.00 H new ATOM 0 HH21 ARG A 37 65.764 -7.220 -7.121 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.142 -7.705 -8.115 1.00 0.00 H new ATOM 609 N LEU A 38 70.271 -9.256 0.006 1.00 0.00 N ATOM 610 CA LEU A 38 71.129 -10.352 0.522 1.00 0.00 C ATOM 611 C LEU A 38 70.259 -11.348 1.288 1.00 0.00 C ATOM 612 O LEU A 38 70.459 -12.544 1.228 1.00 0.00 O ATOM 613 CB LEU A 38 72.193 -9.779 1.459 1.00 0.00 C ATOM 614 CG LEU A 38 73.573 -10.285 1.033 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.557 -11.814 0.964 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.920 -9.718 -0.346 1.00 0.00 C ATOM 0 H LEU A 38 70.145 -8.472 0.646 1.00 0.00 H new ATOM 0 HA LEU A 38 71.620 -10.854 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.169 -8.690 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.986 -10.076 2.487 1.00 0.00 H new ATOM 0 HG LEU A 38 74.319 -9.961 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.540 -12.175 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.308 -12.220 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.812 -12.138 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.903 -10.078 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.174 -10.043 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.931 -8.629 -0.299 1.00 0.00 H new ATOM 628 N SER A 39 69.295 -10.852 2.014 1.00 0.00 N ATOM 629 CA SER A 39 68.404 -11.752 2.797 1.00 0.00 C ATOM 630 C SER A 39 67.467 -12.505 1.850 1.00 0.00 C ATOM 631 O SER A 39 67.041 -13.607 2.131 1.00 0.00 O ATOM 632 CB SER A 39 67.579 -10.913 3.774 1.00 0.00 C ATOM 633 OG SER A 39 66.695 -11.762 4.494 1.00 0.00 O ATOM 0 H SER A 39 69.086 -9.857 2.098 1.00 0.00 H new ATOM 0 HA SER A 39 69.007 -12.473 3.349 1.00 0.00 H new ATOM 0 HB2 SER A 39 68.238 -10.386 4.464 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.013 -10.155 3.232 1.00 0.00 H new ATOM 0 HG SER A 39 66.166 -11.227 5.122 1.00 0.00 H new ATOM 639 N GLU A 40 67.138 -11.917 0.730 1.00 0.00 N ATOM 640 CA GLU A 40 66.226 -12.597 -0.227 1.00 0.00 C ATOM 641 C GLU A 40 67.040 -13.403 -1.229 1.00 0.00 C ATOM 642 O GLU A 40 66.588 -13.726 -2.309 1.00 0.00 O ATOM 643 CB GLU A 40 65.404 -11.553 -0.970 1.00 0.00 C ATOM 644 CG GLU A 40 63.942 -11.637 -0.527 1.00 0.00 C ATOM 645 CD GLU A 40 63.387 -10.226 -0.329 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.131 -9.283 -0.543 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.227 -10.111 0.032 1.00 0.00 O ATOM 0 H GLU A 40 67.463 -10.995 0.439 1.00 0.00 H new ATOM 0 HA GLU A 40 65.563 -13.266 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.798 -10.556 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.478 -11.716 -2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.354 -12.169 -1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.864 -12.203 0.401 1.00 0.00 H new ATOM 654 N HIS A 41 68.235 -13.722 -0.869 1.00 0.00 N ATOM 655 CA HIS A 41 69.114 -14.508 -1.775 1.00 0.00 C ATOM 656 C HIS A 41 68.614 -15.950 -1.854 1.00 0.00 C ATOM 657 O HIS A 41 68.311 -16.458 -2.914 1.00 0.00 O ATOM 658 CB HIS A 41 70.547 -14.492 -1.238 1.00 0.00 C ATOM 659 CG HIS A 41 71.507 -14.273 -2.375 1.00 0.00 C ATOM 660 ND1 HIS A 41 71.490 -14.689 -3.684 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 72.669 -13.531 -2.230 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 72.621 -14.216 -4.341 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 73.297 -13.525 -3.419 1.00 0.00 N flip ATOM 0 H HIS A 41 68.655 -13.472 0.026 1.00 0.00 H new ATOM 0 HA HIS A 41 69.094 -14.065 -2.771 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.660 -13.702 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 41 70.769 -15.434 -0.737 1.00 0.00 H new ATOM 0 HD1 HIS A 41 70.759 -15.259 -4.110 1.00 0.00 H new ATOM 0 HD2 HIS A 41 73.008 -13.046 -1.327 1.00 0.00 H new ATOM 0 HE1 HIS A 41 72.894 -14.373 -5.374 1.00 0.00 H new ATOM 671 N LEU A 42 68.527 -16.611 -0.735 1.00 0.00 N ATOM 672 CA LEU A 42 68.051 -18.019 -0.727 1.00 0.00 C ATOM 673 C LEU A 42 66.561 -18.063 -1.075 1.00 0.00 C ATOM 674 O LEU A 42 65.981 -19.121 -1.223 1.00 0.00 O ATOM 675 CB LEU A 42 68.263 -18.605 0.667 1.00 0.00 C ATOM 676 CG LEU A 42 69.737 -18.969 0.852 1.00 0.00 C ATOM 677 CD1 LEU A 42 70.207 -18.507 2.233 1.00 0.00 C ATOM 678 CD2 LEU A 42 69.906 -20.486 0.739 1.00 0.00 C ATOM 0 H LEU A 42 68.767 -16.232 0.181 1.00 0.00 H new ATOM 0 HA LEU A 42 68.608 -18.598 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 67.958 -17.884 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.640 -19.490 0.799 1.00 0.00 H new ATOM 0 HG LEU A 42 70.331 -18.478 0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 42 71.257 -18.766 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 70.087 -17.427 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 42 69.612 -18.998 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.956 -20.746 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 42 69.311 -20.977 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 42 69.571 -20.817 -0.244 1.00 0.00 H new ATOM 690 N LYS A 43 65.933 -16.923 -1.208 1.00 0.00 N ATOM 691 CA LYS A 43 64.482 -16.902 -1.548 1.00 0.00 C ATOM 692 C LYS A 43 64.298 -17.002 -3.060 1.00 0.00 C ATOM 693 O LYS A 43 63.253 -16.698 -3.601 1.00 0.00 O ATOM 694 CB LYS A 43 63.861 -15.604 -1.046 1.00 0.00 C ATOM 695 CG LYS A 43 62.942 -15.898 0.140 1.00 0.00 C ATOM 696 CD LYS A 43 61.518 -16.144 -0.364 1.00 0.00 C ATOM 697 CE LYS A 43 61.154 -17.616 -0.168 1.00 0.00 C ATOM 698 NZ LYS A 43 60.558 -17.805 1.185 1.00 0.00 N ATOM 0 H LYS A 43 66.364 -16.006 -1.095 1.00 0.00 H new ATOM 0 HA LYS A 43 63.992 -17.751 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 43 64.644 -14.906 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.296 -15.126 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.302 -16.771 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 43 62.952 -15.061 0.838 1.00 0.00 H new ATOM 0 HD2 LYS A 43 60.815 -15.510 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.443 -15.877 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.448 -17.932 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.042 -18.239 -0.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.310 -18.806 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.246 -17.519 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.701 -17.222 1.271 1.00 0.00 H new ATOM 712 N VAL A 44 65.310 -17.437 -3.728 1.00 0.00 N ATOM 713 CA VAL A 44 65.259 -17.591 -5.201 1.00 0.00 C ATOM 714 C VAL A 44 66.320 -18.613 -5.608 1.00 0.00 C ATOM 715 O VAL A 44 66.102 -19.455 -6.457 1.00 0.00 O ATOM 716 CB VAL A 44 65.554 -16.246 -5.864 1.00 0.00 C ATOM 717 CG1 VAL A 44 65.862 -16.461 -7.347 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.337 -15.330 -5.724 1.00 0.00 C ATOM 0 H VAL A 44 66.200 -17.702 -3.306 1.00 0.00 H new ATOM 0 HA VAL A 44 64.272 -17.929 -5.516 1.00 0.00 H new ATOM 0 HB VAL A 44 66.414 -15.785 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 44 66.072 -15.501 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.730 -17.112 -7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 44 65.003 -16.924 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.547 -14.371 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.476 -15.792 -6.208 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.119 -15.174 -4.668 1.00 0.00 H new ATOM 728 N HIS A 45 67.466 -18.547 -4.987 1.00 0.00 N ATOM 729 CA HIS A 45 68.555 -19.509 -5.298 1.00 0.00 C ATOM 730 C HIS A 45 67.971 -20.916 -5.440 1.00 0.00 C ATOM 731 O HIS A 45 67.678 -21.371 -6.528 1.00 0.00 O ATOM 732 CB HIS A 45 69.570 -19.479 -4.154 1.00 0.00 C ATOM 733 CG HIS A 45 70.633 -18.458 -4.453 1.00 0.00 C ATOM 734 ND1 HIS A 45 71.743 -18.288 -3.639 1.00 0.00 N ATOM 735 CD2 HIS A 45 70.770 -17.547 -5.470 1.00 0.00 C ATOM 736 CE1 HIS A 45 72.493 -17.308 -4.177 1.00 0.00 C ATOM 737 NE2 HIS A 45 71.946 -16.821 -5.294 1.00 0.00 N ATOM 0 H HIS A 45 67.694 -17.859 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 45 69.043 -19.236 -6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.070 -19.235 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.021 -20.463 -4.028 1.00 0.00 H new ATOM 0 HD1 HIS A 45 71.953 -18.810 -2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 45 70.072 -17.413 -6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 45 73.424 -16.958 -3.756 1.00 0.00 H new ATOM 745 N LYS A 46 67.799 -21.611 -4.348 1.00 0.00 N ATOM 746 CA LYS A 46 67.235 -22.988 -4.422 1.00 0.00 C ATOM 747 C LYS A 46 68.248 -23.918 -5.092 1.00 0.00 C ATOM 748 O LYS A 46 68.394 -23.926 -6.298 1.00 0.00 O ATOM 749 CB LYS A 46 65.940 -22.968 -5.238 1.00 0.00 C ATOM 750 CG LYS A 46 64.746 -23.179 -4.305 1.00 0.00 C ATOM 751 CD LYS A 46 63.650 -23.951 -5.043 1.00 0.00 C ATOM 752 CE LYS A 46 62.353 -23.895 -4.235 1.00 0.00 C ATOM 753 NZ LYS A 46 61.314 -24.726 -4.905 1.00 0.00 N ATOM 0 H LYS A 46 68.025 -21.284 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 46 67.022 -23.348 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.842 -22.017 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.964 -23.749 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.058 -23.729 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.362 -22.217 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 46 63.493 -23.523 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 46 63.956 -24.987 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.527 -24.258 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 46 62.010 -22.864 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 60.432 -24.688 -4.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 61.141 -24.360 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 61.643 -25.711 -4.965 1.00 0.00 H new ATOM 767 N LYS A 47 68.948 -24.700 -4.316 1.00 0.00 N ATOM 768 CA LYS A 47 69.955 -25.631 -4.896 1.00 0.00 C ATOM 769 C LYS A 47 71.181 -24.837 -5.345 1.00 0.00 C ATOM 770 O LYS A 47 71.494 -24.767 -6.518 1.00 0.00 O ATOM 771 CB LYS A 47 69.352 -26.366 -6.095 1.00 0.00 C ATOM 772 CG LYS A 47 67.953 -26.873 -5.734 1.00 0.00 C ATOM 773 CD LYS A 47 67.203 -27.250 -7.013 1.00 0.00 C ATOM 774 CE LYS A 47 67.187 -28.773 -7.165 1.00 0.00 C ATOM 775 NZ LYS A 47 66.957 -29.127 -8.595 1.00 0.00 N ATOM 0 H LYS A 47 68.864 -24.733 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 47 70.249 -26.360 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 47 69.297 -25.698 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 69.990 -27.202 -6.381 1.00 0.00 H new ATOM 0 HG2 LYS A 47 68.027 -27.738 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.404 -26.103 -5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 47 66.183 -26.867 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 47 67.684 -26.793 -7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 47 68.133 -29.193 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 47 66.403 -29.203 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 66.946 -30.162 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 66.044 -28.738 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 67.720 -28.729 -9.178 1.00 0.00 H new ATOM 789 N ASP A 48 71.879 -24.239 -4.420 1.00 0.00 N ATOM 790 CA ASP A 48 73.084 -23.450 -4.786 1.00 0.00 C ATOM 791 C ASP A 48 73.869 -23.104 -3.519 1.00 0.00 C ATOM 792 O ASP A 48 73.867 -21.977 -3.066 1.00 0.00 O ATOM 793 CB ASP A 48 72.659 -22.163 -5.494 1.00 0.00 C ATOM 794 CG ASP A 48 73.416 -22.033 -6.817 1.00 0.00 C ATOM 795 OD1 ASP A 48 73.048 -22.719 -7.757 1.00 0.00 O ATOM 796 OD2 ASP A 48 74.352 -21.251 -6.868 1.00 0.00 O ATOM 0 H ASP A 48 71.664 -24.264 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 48 73.714 -24.037 -5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.585 -22.174 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.865 -21.301 -4.859 1.00 0.00 H new ATOM 801 N HIS A 49 74.538 -24.066 -2.944 1.00 0.00 N ATOM 802 CA HIS A 49 75.322 -23.794 -1.708 1.00 0.00 C ATOM 803 C HIS A 49 76.329 -22.673 -1.976 1.00 0.00 C ATOM 804 O HIS A 49 76.196 -21.919 -2.918 1.00 0.00 O ATOM 805 CB HIS A 49 76.069 -25.061 -1.289 1.00 0.00 C ATOM 806 CG HIS A 49 75.178 -26.257 -1.483 1.00 0.00 C ATOM 807 ND1 HIS A 49 75.069 -27.163 -2.508 1.00 0.00 N flip ATOM 808 CD2 HIS A 49 74.241 -26.642 -0.536 1.00 0.00 C flip ATOM 809 CE1 HIS A 49 74.082 -28.097 -2.206 1.00 0.00 C flip ATOM 810 NE2 HIS A 49 73.615 -27.736 -1.007 1.00 0.00 N flip ATOM 0 H HIS A 49 74.575 -25.029 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 49 74.645 -23.490 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 49 76.978 -25.172 -1.880 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.374 -24.987 -0.245 1.00 0.00 H new ATOM 0 HD2 HIS A 49 74.049 -26.153 0.408 1.00 0.00 H new ATOM 0 HE1 HIS A 49 73.763 -28.933 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 49 72.874 -28.230 -0.509 1.00 0.00 H new ATOM 818 N HIS A 50 77.336 -22.560 -1.154 1.00 0.00 N ATOM 819 CA HIS A 50 78.350 -21.487 -1.361 1.00 0.00 C ATOM 820 C HIS A 50 77.742 -20.139 -1.007 1.00 0.00 C ATOM 821 O HIS A 50 78.199 -19.096 -1.430 1.00 0.00 O ATOM 822 CB HIS A 50 78.782 -21.477 -2.821 1.00 0.00 C ATOM 823 CG HIS A 50 80.257 -21.757 -2.916 1.00 0.00 C ATOM 824 ND1 HIS A 50 80.843 -22.241 -4.075 1.00 0.00 N ATOM 825 CD2 HIS A 50 81.277 -21.625 -2.007 1.00 0.00 C ATOM 826 CE1 HIS A 50 82.160 -22.382 -3.834 1.00 0.00 C ATOM 827 NE2 HIS A 50 82.477 -22.020 -2.588 1.00 0.00 N ATOM 0 H HIS A 50 77.501 -23.164 -0.348 1.00 0.00 H new ATOM 0 HA HIS A 50 79.214 -21.675 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 50 78.223 -22.227 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 50 78.556 -20.510 -3.270 1.00 0.00 H new ATOM 0 HD2 HIS A 50 81.165 -21.268 -0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 50 82.873 -22.744 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 50 83.401 -22.031 -2.156 1.00 0.00 H new ATOM 835 N SER A 51 76.711 -20.167 -0.231 1.00 0.00 N ATOM 836 CA SER A 51 76.037 -18.908 0.177 1.00 0.00 C ATOM 837 C SER A 51 76.903 -18.173 1.202 1.00 0.00 C ATOM 838 O SER A 51 78.071 -18.467 1.367 1.00 0.00 O ATOM 839 CB SER A 51 74.679 -19.235 0.798 1.00 0.00 C ATOM 840 OG SER A 51 74.272 -20.531 0.381 1.00 0.00 O ATOM 0 H SER A 51 76.296 -21.018 0.147 1.00 0.00 H new ATOM 0 HA SER A 51 75.894 -18.274 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 51 74.744 -19.194 1.885 1.00 0.00 H new ATOM 0 HB3 SER A 51 73.940 -18.494 0.495 1.00 0.00 H new ATOM 0 HG SER A 51 73.402 -20.745 0.779 1.00 0.00 H new ATOM 846 N HIS A 52 76.342 -17.219 1.894 1.00 0.00 N ATOM 847 CA HIS A 52 77.133 -16.468 2.908 1.00 0.00 C ATOM 848 C HIS A 52 78.298 -15.753 2.220 1.00 0.00 C ATOM 849 O HIS A 52 79.314 -15.477 2.826 1.00 0.00 O ATOM 850 CB HIS A 52 77.679 -17.445 3.952 1.00 0.00 C ATOM 851 CG HIS A 52 78.163 -16.678 5.152 1.00 0.00 C ATOM 852 ND1 HIS A 52 78.142 -15.293 5.203 1.00 0.00 N ATOM 853 CD2 HIS A 52 78.685 -17.090 6.353 1.00 0.00 C ATOM 854 CE1 HIS A 52 78.637 -14.924 6.399 1.00 0.00 C ATOM 855 NE2 HIS A 52 78.983 -15.980 7.139 1.00 0.00 N ATOM 0 H HIS A 52 75.369 -16.928 1.800 1.00 0.00 H new ATOM 0 HA HIS A 52 76.494 -15.732 3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 52 76.902 -18.150 4.247 1.00 0.00 H new ATOM 0 HB3 HIS A 52 78.495 -18.029 3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 52 78.841 -18.118 6.644 1.00 0.00 H new ATOM 0 HE1 HIS A 52 78.742 -13.898 6.721 1.00 0.00 H new ATOM 0 HE2 HIS A 52 79.380 -15.975 8.078 1.00 0.00 H new ATOM 863 N ARG A 53 78.159 -15.453 0.957 1.00 0.00 N ATOM 864 CA ARG A 53 79.254 -14.761 0.232 1.00 0.00 C ATOM 865 C ARG A 53 79.145 -13.250 0.452 1.00 0.00 C ATOM 866 O ARG A 53 79.273 -12.468 -0.469 1.00 0.00 O ATOM 867 CB ARG A 53 79.150 -15.067 -1.263 1.00 0.00 C ATOM 868 CG ARG A 53 80.202 -16.110 -1.645 1.00 0.00 C ATOM 869 CD ARG A 53 81.540 -15.415 -1.901 1.00 0.00 C ATOM 870 NE ARG A 53 82.152 -15.961 -3.145 1.00 0.00 N ATOM 871 CZ ARG A 53 82.978 -16.969 -3.078 1.00 0.00 C ATOM 872 NH1 ARG A 53 84.089 -16.858 -2.402 1.00 0.00 N ATOM 873 NH2 ARG A 53 82.692 -18.088 -3.685 1.00 0.00 N ATOM 0 H ARG A 53 77.331 -15.659 0.398 1.00 0.00 H new ATOM 0 HA ARG A 53 80.214 -15.112 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 53 78.153 -15.437 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 53 79.299 -14.156 -1.843 1.00 0.00 H new ATOM 0 HG2 ARG A 53 80.308 -16.844 -0.846 1.00 0.00 H new ATOM 0 HG3 ARG A 53 79.885 -16.652 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 53 81.391 -14.340 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 53 82.210 -15.569 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 53 81.925 -15.547 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 84.311 -15.984 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 53 84.735 -17.646 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 53 81.823 -18.175 -4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 53 83.338 -18.876 -3.633 1.00 0.00 H new ATOM 887 N GLY A 54 78.913 -12.832 1.667 1.00 0.00 N ATOM 888 CA GLY A 54 78.798 -11.372 1.942 1.00 0.00 C ATOM 889 C GLY A 54 77.383 -11.049 2.426 1.00 0.00 C ATOM 890 O GLY A 54 76.793 -10.062 2.033 1.00 0.00 O ATOM 0 H GLY A 54 78.798 -13.438 2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.527 -11.075 2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 54 79.023 -10.803 1.040 1.00 0.00 H new ATOM 894 N LEU A 55 76.834 -11.873 3.275 1.00 0.00 N ATOM 895 CA LEU A 55 75.459 -11.613 3.784 1.00 0.00 C ATOM 896 C LEU A 55 75.416 -10.244 4.460 1.00 0.00 C ATOM 897 O LEU A 55 76.227 -9.380 4.193 1.00 0.00 O ATOM 898 CB LEU A 55 75.075 -12.692 4.796 1.00 0.00 C ATOM 899 CG LEU A 55 73.577 -12.977 4.690 1.00 0.00 C ATOM 900 CD1 LEU A 55 73.331 -14.018 3.597 1.00 0.00 C ATOM 901 CD2 LEU A 55 73.063 -13.512 6.028 1.00 0.00 C ATOM 0 H LEU A 55 77.279 -12.716 3.638 1.00 0.00 H new ATOM 0 HA LEU A 55 74.756 -11.630 2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.644 -13.602 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 75.324 -12.364 5.805 1.00 0.00 H new ATOM 0 HG LEU A 55 73.050 -12.056 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 55 72.263 -14.221 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 55 73.696 -13.637 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 55 73.859 -14.939 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 55 71.995 -13.715 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 55 73.591 -14.432 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 73.237 -12.770 6.807 1.00 0.00 H new ATOM 913 N LEU A 56 74.472 -10.043 5.334 1.00 0.00 N ATOM 914 CA LEU A 56 74.363 -8.740 6.037 1.00 0.00 C ATOM 915 C LEU A 56 75.754 -8.270 6.454 1.00 0.00 C ATOM 916 O LEU A 56 76.422 -7.557 5.734 1.00 0.00 O ATOM 917 CB LEU A 56 73.487 -8.920 7.275 1.00 0.00 C ATOM 918 CG LEU A 56 72.031 -9.105 6.847 1.00 0.00 C ATOM 919 CD1 LEU A 56 71.308 -9.993 7.862 1.00 0.00 C ATOM 920 CD2 LEU A 56 71.341 -7.740 6.784 1.00 0.00 C ATOM 0 H LEU A 56 73.766 -10.732 5.592 1.00 0.00 H new ATOM 0 HA LEU A 56 73.918 -7.996 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 56 73.822 -9.785 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 73.578 -8.051 7.927 1.00 0.00 H new ATOM 0 HG LEU A 56 71.999 -9.576 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 56 70.270 -10.124 7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 71.798 -10.965 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 56 71.340 -9.523 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.303 -7.871 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 56 71.374 -7.270 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 56 71.854 -7.106 6.061 1.00 0.00 H new ATOM 932 N MET A 57 76.191 -8.669 7.611 1.00 0.00 N ATOM 933 CA MET A 57 77.543 -8.253 8.083 1.00 0.00 C ATOM 934 C MET A 57 77.656 -6.728 8.034 1.00 0.00 C ATOM 935 O MET A 57 77.369 -6.043 8.996 1.00 0.00 O ATOM 936 CB MET A 57 78.610 -8.873 7.177 1.00 0.00 C ATOM 937 CG MET A 57 78.823 -10.338 7.567 1.00 0.00 C ATOM 938 SD MET A 57 78.133 -11.410 6.283 1.00 0.00 S ATOM 939 CE MET A 57 79.661 -11.645 5.341 1.00 0.00 C ATOM 0 H MET A 57 75.672 -9.267 8.254 1.00 0.00 H new ATOM 0 HA MET A 57 77.691 -8.594 9.108 1.00 0.00 H new ATOM 0 HB2 MET A 57 78.301 -8.805 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 57 79.546 -8.321 7.269 1.00 0.00 H new ATOM 0 HG2 MET A 57 79.887 -10.541 7.693 1.00 0.00 H new ATOM 0 HG3 MET A 57 78.344 -10.544 8.524 1.00 0.00 H new ATOM 0 HE1 MET A 57 79.496 -12.385 4.558 1.00 0.00 H new ATOM 0 HE2 MET A 57 79.959 -10.699 4.889 1.00 0.00 H new ATOM 0 HE3 MET A 57 80.450 -11.993 6.008 1.00 0.00 H new ATOM 949 N MET A 58 78.076 -6.190 6.921 1.00 0.00 N ATOM 950 CA MET A 58 78.211 -4.710 6.810 1.00 0.00 C ATOM 951 C MET A 58 76.917 -4.036 7.271 1.00 0.00 C ATOM 952 O MET A 58 76.907 -2.874 7.627 1.00 0.00 O ATOM 953 CB MET A 58 78.490 -4.334 5.352 1.00 0.00 C ATOM 954 CG MET A 58 77.426 -4.963 4.451 1.00 0.00 C ATOM 955 SD MET A 58 78.118 -6.415 3.622 1.00 0.00 S ATOM 956 CE MET A 58 76.775 -6.660 2.433 1.00 0.00 C ATOM 0 H MET A 58 78.332 -6.712 6.083 1.00 0.00 H new ATOM 0 HA MET A 58 79.035 -4.374 7.440 1.00 0.00 H new ATOM 0 HB2 MET A 58 78.484 -3.250 5.237 1.00 0.00 H new ATOM 0 HB3 MET A 58 79.481 -4.681 5.059 1.00 0.00 H new ATOM 0 HG2 MET A 58 76.556 -5.249 5.043 1.00 0.00 H new ATOM 0 HG3 MET A 58 77.085 -4.238 3.712 1.00 0.00 H new ATOM 0 HE1 MET A 58 77.030 -7.478 1.759 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.856 -6.903 2.967 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.629 -5.747 1.856 1.00 0.00 H new ATOM 966 N VAL A 59 75.824 -4.750 7.271 1.00 0.00 N ATOM 967 CA VAL A 59 74.540 -4.139 7.712 1.00 0.00 C ATOM 968 C VAL A 59 74.730 -3.516 9.094 1.00 0.00 C ATOM 969 O VAL A 59 74.343 -2.392 9.343 1.00 0.00 O ATOM 970 CB VAL A 59 73.453 -5.221 7.766 1.00 0.00 C ATOM 971 CG1 VAL A 59 73.563 -6.024 9.068 1.00 0.00 C ATOM 972 CG2 VAL A 59 72.074 -4.562 7.691 1.00 0.00 C ATOM 0 H VAL A 59 75.766 -5.727 6.985 1.00 0.00 H new ATOM 0 HA VAL A 59 74.235 -3.365 7.008 1.00 0.00 H new ATOM 0 HB VAL A 59 73.587 -5.897 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 59 72.785 -6.787 9.091 1.00 0.00 H new ATOM 0 HG12 VAL A 59 74.542 -6.501 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.440 -5.355 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 59 71.301 -5.330 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 59 71.950 -3.880 8.533 1.00 0.00 H new ATOM 0 HG23 VAL A 59 71.987 -4.006 6.758 1.00 0.00 H new ATOM 982 N GLY A 60 75.328 -4.245 9.991 1.00 0.00 N ATOM 983 CA GLY A 60 75.554 -3.708 11.363 1.00 0.00 C ATOM 984 C GLY A 60 76.864 -2.920 11.393 1.00 0.00 C ATOM 985 O GLY A 60 77.724 -3.157 12.218 1.00 0.00 O ATOM 0 H GLY A 60 75.672 -5.193 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.724 -3.065 11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.592 -4.525 12.083 1.00 0.00 H new ATOM 989 N GLN A 61 77.023 -1.981 10.500 1.00 0.00 N ATOM 990 CA GLN A 61 78.274 -1.179 10.478 1.00 0.00 C ATOM 991 C GLN A 61 78.009 0.157 9.799 1.00 0.00 C ATOM 992 O GLN A 61 78.902 0.809 9.294 1.00 0.00 O ATOM 993 CB GLN A 61 79.344 -1.932 9.703 1.00 0.00 C ATOM 994 CG GLN A 61 80.500 -2.296 10.638 1.00 0.00 C ATOM 995 CD GLN A 61 81.800 -2.374 9.836 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.011 -3.308 9.088 1.00 0.00 O ATOM 997 NE2 GLN A 61 82.688 -1.426 9.960 1.00 0.00 N ATOM 0 H GLN A 61 76.338 -1.736 9.785 1.00 0.00 H new ATOM 0 HA GLN A 61 78.613 -1.009 11.500 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.921 -2.835 9.264 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.709 -1.319 8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.592 -1.550 11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.302 -3.252 11.124 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.512 -0.641 10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.558 -1.470 9.429 1.00 0.00 H new ATOM 1006 N ARG A 62 76.785 0.559 9.794 1.00 0.00 N ATOM 1007 CA ARG A 62 76.415 1.856 9.158 1.00 0.00 C ATOM 1008 C ARG A 62 76.286 2.932 10.236 1.00 0.00 C ATOM 1009 O ARG A 62 76.291 4.113 9.952 1.00 0.00 O ATOM 1010 CB ARG A 62 75.082 1.703 8.424 1.00 0.00 C ATOM 1011 CG ARG A 62 75.177 2.365 7.047 1.00 0.00 C ATOM 1012 CD ARG A 62 73.815 2.296 6.354 1.00 0.00 C ATOM 1013 NE ARG A 62 73.344 0.883 6.329 1.00 0.00 N ATOM 1014 CZ ARG A 62 72.130 0.607 5.936 1.00 0.00 C ATOM 1015 NH1 ARG A 62 71.437 1.499 5.284 1.00 0.00 N ATOM 1016 NH2 ARG A 62 71.610 -0.561 6.196 1.00 0.00 N ATOM 0 H ARG A 62 76.006 0.045 10.206 1.00 0.00 H new ATOM 0 HA ARG A 62 77.188 2.146 8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.834 0.647 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.281 2.160 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 62 75.492 3.403 7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.931 1.863 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 62 73.095 2.922 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.891 2.684 5.338 1.00 0.00 H new ATOM 0 HE ARG A 62 73.970 0.131 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.844 2.412 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 62 70.489 1.283 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.152 -1.258 6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 62 70.662 -0.777 5.889 1.00 0.00 H new ATOM 1030 N ARG A 63 76.170 2.532 11.471 1.00 0.00 N ATOM 1031 CA ARG A 63 76.040 3.526 12.567 1.00 0.00 C ATOM 1032 C ARG A 63 77.369 4.262 12.749 1.00 0.00 C ATOM 1033 O ARG A 63 77.447 5.467 12.616 1.00 0.00 O ATOM 1034 CB ARG A 63 75.671 2.807 13.866 1.00 0.00 C ATOM 1035 CG ARG A 63 74.339 2.077 13.686 1.00 0.00 C ATOM 1036 CD ARG A 63 74.552 0.573 13.866 1.00 0.00 C ATOM 1037 NE ARG A 63 74.530 0.237 15.318 1.00 0.00 N ATOM 1038 CZ ARG A 63 74.301 -0.988 15.701 1.00 0.00 C ATOM 1039 NH1 ARG A 63 73.116 -1.511 15.541 1.00 0.00 N ATOM 1040 NH2 ARG A 63 75.256 -1.692 16.245 1.00 0.00 N ATOM 0 H ARG A 63 76.160 1.556 11.767 1.00 0.00 H new ATOM 0 HA ARG A 63 75.260 4.244 12.316 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.453 2.097 14.136 1.00 0.00 H new ATOM 0 HB3 ARG A 63 75.597 3.525 14.683 1.00 0.00 H new ATOM 0 HG2 ARG A 63 73.612 2.441 14.412 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.931 2.281 12.696 1.00 0.00 H new ATOM 0 HD2 ARG A 63 73.773 0.020 13.342 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.504 0.275 13.427 1.00 0.00 H new ATOM 0 HE ARG A 63 74.694 0.966 16.012 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.369 -0.961 15.116 1.00 0.00 H new ATOM 0 HH12 ARG A 63 72.937 -2.469 15.841 1.00 0.00 H new ATOM 0 HH21 ARG A 63 76.182 -1.284 16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 63 75.076 -2.650 16.544 1.00 0.00 H new ATOM 1054 N ARG A 64 78.415 3.544 13.056 1.00 0.00 N ATOM 1055 CA ARG A 64 79.736 4.195 13.252 1.00 0.00 C ATOM 1056 C ARG A 64 80.408 4.422 11.896 1.00 0.00 C ATOM 1057 O ARG A 64 81.558 4.811 11.821 1.00 0.00 O ATOM 1058 CB ARG A 64 80.623 3.299 14.118 1.00 0.00 C ATOM 1059 CG ARG A 64 80.864 3.972 15.471 1.00 0.00 C ATOM 1060 CD ARG A 64 79.945 3.349 16.522 1.00 0.00 C ATOM 1061 NE ARG A 64 80.700 3.157 17.792 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.803 2.459 17.795 1.00 0.00 C ATOM 1063 NH1 ARG A 64 81.765 1.176 17.563 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.945 3.046 18.030 1.00 0.00 N ATOM 0 H ARG A 64 78.409 2.531 13.179 1.00 0.00 H new ATOM 0 HA ARG A 64 79.594 5.155 13.748 1.00 0.00 H new ATOM 0 HB2 ARG A 64 80.147 2.329 14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.573 3.117 13.616 1.00 0.00 H new ATOM 0 HG2 ARG A 64 81.906 3.853 15.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 80.674 5.043 15.395 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.082 3.993 16.693 1.00 0.00 H new ATOM 0 HD3 ARG A 64 79.563 2.392 16.165 1.00 0.00 H new ATOM 0 HE ARG A 64 80.355 3.571 18.658 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.873 0.717 17.379 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.628 0.632 17.566 1.00 0.00 H new ATOM 0 HH21 ARG A 64 82.975 4.049 18.211 1.00 0.00 H new ATOM 0 HH22 ARG A 64 83.807 2.501 18.033 1.00 0.00 H new ATOM 1078 N LEU A 65 79.708 4.180 10.822 1.00 0.00 N ATOM 1079 CA LEU A 65 80.314 4.380 9.477 1.00 0.00 C ATOM 1080 C LEU A 65 80.738 5.840 9.320 1.00 0.00 C ATOM 1081 O LEU A 65 81.608 6.165 8.538 1.00 0.00 O ATOM 1082 CB LEU A 65 79.293 4.027 8.396 1.00 0.00 C ATOM 1083 CG LEU A 65 80.019 3.468 7.172 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.438 2.022 7.439 1.00 0.00 C ATOM 1085 CD2 LEU A 65 79.083 3.510 5.962 1.00 0.00 C ATOM 0 H LEU A 65 78.742 3.852 10.818 1.00 0.00 H new ATOM 0 HA LEU A 65 81.187 3.735 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.583 3.293 8.777 1.00 0.00 H new ATOM 0 HB3 LEU A 65 78.720 4.912 8.119 1.00 0.00 H new ATOM 0 HG LEU A 65 80.905 4.071 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 65 80.955 1.626 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 65 81.105 1.990 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 65 79.553 1.418 7.642 1.00 0.00 H new ATOM 0 HD21 LEU A 65 79.599 3.112 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 65 78.198 2.908 6.166 1.00 0.00 H new ATOM 0 HD23 LEU A 65 78.785 4.540 5.768 1.00 0.00 H new ATOM 1097 N LEU A 66 80.128 6.720 10.059 1.00 0.00 N ATOM 1098 CA LEU A 66 80.491 8.161 9.957 1.00 0.00 C ATOM 1099 C LEU A 66 81.959 8.347 10.353 1.00 0.00 C ATOM 1100 O LEU A 66 82.653 9.191 9.824 1.00 0.00 O ATOM 1101 CB LEU A 66 79.603 8.979 10.899 1.00 0.00 C ATOM 1102 CG LEU A 66 79.718 8.424 12.320 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.636 9.326 13.147 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.330 8.383 12.963 1.00 0.00 C ATOM 0 H LEU A 66 79.392 6.505 10.731 1.00 0.00 H new ATOM 0 HA LEU A 66 80.344 8.500 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.904 10.027 10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.566 8.939 10.565 1.00 0.00 H new ATOM 0 HG LEU A 66 80.134 7.417 12.285 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.718 8.931 14.160 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.624 9.358 12.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 80.220 10.333 13.183 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.410 7.988 13.976 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.915 9.390 12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.675 7.741 12.374 1.00 0.00 H new ATOM 1116 N ARG A 67 82.436 7.561 11.278 1.00 0.00 N ATOM 1117 CA ARG A 67 83.858 7.690 11.710 1.00 0.00 C ATOM 1118 C ARG A 67 84.769 7.740 10.481 1.00 0.00 C ATOM 1119 O ARG A 67 85.883 8.218 10.543 1.00 0.00 O ATOM 1120 CB ARG A 67 84.238 6.487 12.575 1.00 0.00 C ATOM 1121 CG ARG A 67 85.445 6.842 13.445 1.00 0.00 C ATOM 1122 CD ARG A 67 86.733 6.467 12.710 1.00 0.00 C ATOM 1123 NE ARG A 67 87.360 5.291 13.375 1.00 0.00 N ATOM 1124 CZ ARG A 67 88.574 4.931 13.056 1.00 0.00 C ATOM 1125 NH1 ARG A 67 88.841 4.546 11.839 1.00 0.00 N ATOM 1126 NH2 ARG A 67 89.519 4.956 13.956 1.00 0.00 N ATOM 0 H ARG A 67 81.903 6.834 11.755 1.00 0.00 H new ATOM 0 HA ARG A 67 83.978 8.608 12.286 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.396 6.198 13.204 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.472 5.631 11.942 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.441 7.908 13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.389 6.312 14.396 1.00 0.00 H new ATOM 0 HD2 ARG A 67 86.515 6.235 11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 87.424 7.310 12.711 1.00 0.00 H new ATOM 0 HE ARG A 67 86.841 4.767 14.080 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.102 4.526 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 67 89.789 4.265 11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 67 89.309 5.257 14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 67 90.467 4.675 13.708 1.00 0.00 H new ATOM 1140 N TYR A 68 84.307 7.244 9.365 1.00 0.00 N ATOM 1141 CA TYR A 68 85.147 7.257 8.142 1.00 0.00 C ATOM 1142 C TYR A 68 84.826 8.497 7.301 1.00 0.00 C ATOM 1143 O TYR A 68 85.590 9.440 7.251 1.00 0.00 O ATOM 1144 CB TYR A 68 84.866 5.996 7.322 1.00 0.00 C ATOM 1145 CG TYR A 68 86.139 5.196 7.179 1.00 0.00 C ATOM 1146 CD1 TYR A 68 86.586 4.397 8.238 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.871 5.253 5.987 1.00 0.00 C ATOM 1148 CE1 TYR A 68 87.766 3.655 8.105 1.00 0.00 C ATOM 1149 CE2 TYR A 68 88.051 4.510 5.853 1.00 0.00 C ATOM 1150 CZ TYR A 68 88.498 3.712 6.913 1.00 0.00 C ATOM 1151 OH TYR A 68 89.661 2.980 6.783 1.00 0.00 O ATOM 0 H TYR A 68 83.382 6.830 9.251 1.00 0.00 H new ATOM 0 HA TYR A 68 86.199 7.283 8.428 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.099 5.395 7.810 1.00 0.00 H new ATOM 0 HB3 TYR A 68 84.481 6.267 6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.021 4.353 9.157 1.00 0.00 H new ATOM 0 HD2 TYR A 68 86.526 5.870 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.111 3.039 8.922 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.615 4.553 4.933 1.00 0.00 H new ATOM 0 HH TYR A 68 90.045 3.131 5.894 1.00 0.00 H new ATOM 1161 N LEU A 69 83.706 8.496 6.630 1.00 0.00 N ATOM 1162 CA LEU A 69 83.338 9.664 5.780 1.00 0.00 C ATOM 1163 C LEU A 69 83.148 10.911 6.648 1.00 0.00 C ATOM 1164 O LEU A 69 83.866 11.881 6.518 1.00 0.00 O ATOM 1165 CB LEU A 69 82.037 9.358 5.035 1.00 0.00 C ATOM 1166 CG LEU A 69 81.496 10.638 4.397 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.470 11.128 3.325 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.136 10.353 3.757 1.00 0.00 C ATOM 0 H LEU A 69 83.028 7.734 6.634 1.00 0.00 H new ATOM 0 HA LEU A 69 84.139 9.850 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.214 8.604 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.301 8.944 5.724 1.00 0.00 H new ATOM 0 HG LEU A 69 81.385 11.405 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.083 12.040 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.439 11.332 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.583 10.361 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.750 11.265 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.248 9.585 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.440 10.006 4.521 1.00 0.00 H new ATOM 1180 N GLN A 70 82.182 10.900 7.524 1.00 0.00 N ATOM 1181 CA GLN A 70 81.950 12.091 8.384 1.00 0.00 C ATOM 1182 C GLN A 70 83.284 12.583 8.951 1.00 0.00 C ATOM 1183 O GLN A 70 83.439 13.737 9.297 1.00 0.00 O ATOM 1184 CB GLN A 70 81.026 11.709 9.541 1.00 0.00 C ATOM 1185 CG GLN A 70 80.897 12.893 10.497 1.00 0.00 C ATOM 1186 CD GLN A 70 81.864 12.712 11.669 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.982 12.276 11.488 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.475 13.033 12.873 1.00 0.00 N ATOM 0 H GLN A 70 81.545 10.119 7.680 1.00 0.00 H new ATOM 0 HA GLN A 70 81.491 12.881 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.045 11.426 9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.425 10.843 10.069 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.115 13.823 9.972 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.874 12.967 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.535 13.399 13.025 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.111 12.917 13.662 1.00 0.00 H new ATOM 1197 N ARG A 71 84.242 11.706 9.061 1.00 0.00 N ATOM 1198 CA ARG A 71 85.566 12.098 9.620 1.00 0.00 C ATOM 1199 C ARG A 71 86.349 12.934 8.605 1.00 0.00 C ATOM 1200 O ARG A 71 86.955 13.929 8.948 1.00 0.00 O ATOM 1201 CB ARG A 71 86.364 10.839 9.963 1.00 0.00 C ATOM 1202 CG ARG A 71 86.283 10.579 11.469 1.00 0.00 C ATOM 1203 CD ARG A 71 86.795 11.805 12.226 1.00 0.00 C ATOM 1204 NE ARG A 71 87.296 11.387 13.566 1.00 0.00 N ATOM 1205 CZ ARG A 71 86.746 11.867 14.647 1.00 0.00 C ATOM 1206 NH1 ARG A 71 85.464 12.108 14.676 1.00 0.00 N ATOM 1207 NH2 ARG A 71 87.478 12.103 15.702 1.00 0.00 N ATOM 0 H ARG A 71 84.164 10.727 8.786 1.00 0.00 H new ATOM 0 HA ARG A 71 85.406 12.694 10.519 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.969 9.984 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.404 10.960 9.659 1.00 0.00 H new ATOM 0 HG2 ARG A 71 85.254 10.364 11.757 1.00 0.00 H new ATOM 0 HG3 ARG A 71 86.877 9.703 11.730 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.593 12.287 11.662 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.995 12.537 12.337 1.00 0.00 H new ATOM 0 HE ARG A 71 88.069 10.725 13.638 1.00 0.00 H new ATOM 0 HH11 ARG A 71 84.891 11.921 13.853 1.00 0.00 H new ATOM 0 HH12 ARG A 71 85.035 12.483 15.522 1.00 0.00 H new ATOM 0 HH21 ARG A 71 88.480 11.912 15.681 1.00 0.00 H new ATOM 0 HH22 ARG A 71 87.048 12.478 16.547 1.00 0.00 H new ATOM 1221 N GLU A 72 86.353 12.539 7.360 1.00 0.00 N ATOM 1222 CA GLU A 72 87.108 13.313 6.336 1.00 0.00 C ATOM 1223 C GLU A 72 86.260 14.460 5.805 1.00 0.00 C ATOM 1224 O GLU A 72 86.551 15.054 4.786 1.00 0.00 O ATOM 1225 CB GLU A 72 87.487 12.394 5.185 1.00 0.00 C ATOM 1226 CG GLU A 72 88.448 11.317 5.687 1.00 0.00 C ATOM 1227 CD GLU A 72 89.736 11.357 4.862 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.658 11.129 3.667 1.00 0.00 O ATOM 1229 OE2 GLU A 72 90.779 11.614 5.441 1.00 0.00 O ATOM 0 H GLU A 72 85.866 11.714 7.009 1.00 0.00 H new ATOM 0 HA GLU A 72 88.007 13.722 6.797 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.593 11.932 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.954 12.969 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.674 11.479 6.741 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.983 10.334 5.608 1.00 0.00 H new ATOM 1236 N ASP A 73 85.220 14.769 6.496 1.00 0.00 N ATOM 1237 CA ASP A 73 84.322 15.876 6.069 1.00 0.00 C ATOM 1238 C ASP A 73 83.064 15.869 6.943 1.00 0.00 C ATOM 1239 O ASP A 73 82.222 15.005 6.798 1.00 0.00 O ATOM 1240 CB ASP A 73 83.925 15.679 4.602 1.00 0.00 C ATOM 1241 CG ASP A 73 83.887 14.185 4.273 1.00 0.00 C ATOM 1242 OD1 ASP A 73 83.174 13.467 4.953 1.00 0.00 O ATOM 1243 OD2 ASP A 73 84.572 13.785 3.346 1.00 0.00 O ATOM 0 H ASP A 73 84.940 14.299 7.357 1.00 0.00 H new ATOM 0 HA ASP A 73 84.840 16.829 6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 73 82.949 16.127 4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 73 84.637 16.186 3.951 1.00 0.00 H new ATOM 1248 N PRO A 74 82.970 16.834 7.826 1.00 0.00 N ATOM 1249 CA PRO A 74 81.817 16.955 8.732 1.00 0.00 C ATOM 1250 C PRO A 74 80.614 17.494 7.964 1.00 0.00 C ATOM 1251 O PRO A 74 79.479 17.172 8.253 1.00 0.00 O ATOM 1252 CB PRO A 74 82.294 17.947 9.798 1.00 0.00 C ATOM 1253 CG PRO A 74 83.449 18.750 9.155 1.00 0.00 C ATOM 1254 CD PRO A 74 83.989 17.889 7.997 1.00 0.00 C ATOM 0 HA PRO A 74 81.501 16.008 9.169 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.484 18.608 10.104 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.634 17.424 10.692 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.095 19.714 8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.233 18.954 9.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.111 18.476 7.087 1.00 0.00 H new ATOM 0 HD3 PRO A 74 84.965 17.466 8.236 1.00 0.00 H new ATOM 1262 N GLU A 75 80.862 18.294 6.969 1.00 0.00 N ATOM 1263 CA GLU A 75 79.745 18.836 6.157 1.00 0.00 C ATOM 1264 C GLU A 75 79.253 17.727 5.233 1.00 0.00 C ATOM 1265 O GLU A 75 78.138 17.747 4.756 1.00 0.00 O ATOM 1266 CB GLU A 75 80.234 20.026 5.328 1.00 0.00 C ATOM 1267 CG GLU A 75 81.392 19.585 4.432 1.00 0.00 C ATOM 1268 CD GLU A 75 82.481 20.660 4.436 1.00 0.00 C ATOM 1269 OE1 GLU A 75 82.818 21.128 5.511 1.00 0.00 O ATOM 1270 OE2 GLU A 75 82.957 20.997 3.365 1.00 0.00 O ATOM 0 H GLU A 75 81.793 18.596 6.683 1.00 0.00 H new ATOM 0 HA GLU A 75 78.936 19.176 6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.419 20.418 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.557 20.833 5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 75 81.800 18.638 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 75 81.036 19.418 3.416 1.00 0.00 H new ATOM 1277 N ARG A 76 80.081 16.747 4.995 1.00 0.00 N ATOM 1278 CA ARG A 76 79.672 15.618 4.127 1.00 0.00 C ATOM 1279 C ARG A 76 78.834 14.651 4.962 1.00 0.00 C ATOM 1280 O ARG A 76 78.095 13.840 4.441 1.00 0.00 O ATOM 1281 CB ARG A 76 80.913 14.899 3.597 1.00 0.00 C ATOM 1282 CG ARG A 76 81.537 15.721 2.468 1.00 0.00 C ATOM 1283 CD ARG A 76 82.642 14.905 1.795 1.00 0.00 C ATOM 1284 NE ARG A 76 82.426 14.900 0.320 1.00 0.00 N ATOM 1285 CZ ARG A 76 83.256 14.261 -0.459 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.485 14.055 -0.074 1.00 0.00 N ATOM 1287 NH2 ARG A 76 82.855 13.827 -1.622 1.00 0.00 N ATOM 0 H ARG A 76 81.028 16.684 5.369 1.00 0.00 H new ATOM 0 HA ARG A 76 79.091 15.985 3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.636 14.758 4.401 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.644 13.907 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 76 80.775 15.993 1.738 1.00 0.00 H new ATOM 0 HG3 ARG A 76 81.946 16.651 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 76 83.618 15.331 2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 76 82.640 13.884 2.177 1.00 0.00 H new ATOM 0 HE ARG A 76 81.630 15.396 -0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 76 84.798 14.393 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 85.133 13.556 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.893 13.987 -1.922 1.00 0.00 H new ATOM 0 HH22 ARG A 76 83.503 13.328 -2.231 1.00 0.00 H new ATOM 1301 N TYR A 77 78.944 14.742 6.262 1.00 0.00 N ATOM 1302 CA TYR A 77 78.158 13.846 7.145 1.00 0.00 C ATOM 1303 C TYR A 77 76.761 14.438 7.345 1.00 0.00 C ATOM 1304 O TYR A 77 76.249 14.479 8.445 1.00 0.00 O ATOM 1305 CB TYR A 77 78.837 13.733 8.508 1.00 0.00 C ATOM 1306 CG TYR A 77 78.034 12.806 9.390 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.734 11.509 8.952 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.588 13.242 10.643 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.990 10.649 9.769 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.844 12.381 11.460 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.546 11.085 11.022 1.00 0.00 C ATOM 1312 OH TYR A 77 75.813 10.237 11.828 1.00 0.00 O ATOM 0 H TYR A 77 79.549 15.404 6.747 1.00 0.00 H new ATOM 0 HA TYR A 77 78.092 12.860 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.852 13.354 8.391 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.915 14.717 8.971 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.077 11.173 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.817 14.242 10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.759 9.649 9.432 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.500 12.717 12.427 1.00 0.00 H new ATOM 0 HH TYR A 77 75.585 10.696 12.663 1.00 0.00 H new ATOM 1322 N ARG A 78 76.149 14.919 6.300 1.00 0.00 N ATOM 1323 CA ARG A 78 74.806 15.526 6.447 1.00 0.00 C ATOM 1324 C ARG A 78 73.957 15.217 5.216 1.00 0.00 C ATOM 1325 O ARG A 78 72.894 15.775 5.029 1.00 0.00 O ATOM 1326 CB ARG A 78 74.966 17.041 6.594 1.00 0.00 C ATOM 1327 CG ARG A 78 75.531 17.612 5.293 1.00 0.00 C ATOM 1328 CD ARG A 78 74.397 17.829 4.294 1.00 0.00 C ATOM 1329 NE ARG A 78 74.549 19.165 3.650 1.00 0.00 N ATOM 1330 CZ ARG A 78 74.709 19.252 2.357 1.00 0.00 C ATOM 1331 NH1 ARG A 78 73.679 19.135 1.563 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.898 19.454 1.860 1.00 0.00 N ATOM 0 H ARG A 78 76.524 14.916 5.352 1.00 0.00 H new ATOM 0 HA ARG A 78 74.311 15.115 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.004 17.501 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 78 75.632 17.270 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.042 18.555 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 78 76.271 16.929 4.876 1.00 0.00 H new ATOM 0 HD2 ARG A 78 74.410 17.045 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 78 73.434 17.766 4.801 1.00 0.00 H new ATOM 0 HE ARG A 78 74.528 20.011 4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 78 72.750 18.976 1.953 1.00 0.00 H new ATOM 0 HH12 ARG A 78 73.803 19.203 0.553 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.702 19.544 2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.024 19.522 0.850 1.00 0.00 H new ATOM 1346 N ALA A 79 74.412 14.335 4.374 1.00 0.00 N ATOM 1347 CA ALA A 79 73.624 14.004 3.164 1.00 0.00 C ATOM 1348 C ALA A 79 73.533 12.495 3.007 1.00 0.00 C ATOM 1349 O ALA A 79 72.460 11.933 2.910 1.00 0.00 O ATOM 1350 CB ALA A 79 74.294 14.619 1.939 1.00 0.00 C ATOM 0 H ALA A 79 75.294 13.832 4.473 1.00 0.00 H new ATOM 0 HA ALA A 79 72.617 14.409 3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.715 14.376 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.343 15.702 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.303 14.219 1.837 1.00 0.00 H new ATOM 1356 N LEU A 80 74.644 11.832 2.996 1.00 0.00 N ATOM 1357 CA LEU A 80 74.614 10.353 2.865 1.00 0.00 C ATOM 1358 C LEU A 80 73.963 9.770 4.115 1.00 0.00 C ATOM 1359 O LEU A 80 73.633 8.603 4.170 1.00 0.00 O ATOM 1360 CB LEU A 80 76.039 9.817 2.717 1.00 0.00 C ATOM 1361 CG LEU A 80 76.300 9.456 1.253 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.604 10.728 0.460 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.497 8.507 1.169 1.00 0.00 C ATOM 0 H LEU A 80 75.573 12.246 3.072 1.00 0.00 H new ATOM 0 HA LEU A 80 74.043 10.066 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.757 10.566 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.176 8.939 3.349 1.00 0.00 H new ATOM 0 HG LEU A 80 75.418 8.969 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.790 10.471 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 80 75.753 11.406 0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 80 77.486 11.214 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.684 8.249 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 80 78.378 8.995 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 80 77.283 7.600 1.735 1.00 0.00 H new ATOM 1375 N ILE A 81 73.747 10.579 5.113 1.00 0.00 N ATOM 1376 CA ILE A 81 73.089 10.071 6.334 1.00 0.00 C ATOM 1377 C ILE A 81 71.591 10.001 6.031 1.00 0.00 C ATOM 1378 O ILE A 81 70.869 9.147 6.504 1.00 0.00 O ATOM 1379 CB ILE A 81 73.399 10.999 7.534 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.188 11.863 7.895 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.580 11.900 7.219 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.268 11.063 8.812 1.00 0.00 C ATOM 0 H ILE A 81 73.999 11.567 5.131 1.00 0.00 H new ATOM 0 HA ILE A 81 73.456 9.082 6.609 1.00 0.00 H new ATOM 0 HB ILE A 81 73.642 10.363 8.385 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.512 12.778 8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.655 12.161 6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.783 12.545 8.074 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.458 11.289 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.348 12.513 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.401 11.669 9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.937 10.161 8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.808 10.787 9.718 1.00 0.00 H new ATOM 1394 N GLU A 82 71.125 10.896 5.219 1.00 0.00 N ATOM 1395 CA GLU A 82 69.689 10.885 4.862 1.00 0.00 C ATOM 1396 C GLU A 82 69.465 10.034 3.607 1.00 0.00 C ATOM 1397 O GLU A 82 68.342 9.836 3.184 1.00 0.00 O ATOM 1398 CB GLU A 82 69.214 12.317 4.602 1.00 0.00 C ATOM 1399 CG GLU A 82 68.414 12.817 5.807 1.00 0.00 C ATOM 1400 CD GLU A 82 67.168 13.560 5.322 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.157 13.968 4.171 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.248 13.710 6.107 1.00 0.00 O ATOM 0 H GLU A 82 71.677 11.636 4.786 1.00 0.00 H new ATOM 0 HA GLU A 82 69.121 10.457 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.070 12.969 4.425 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.597 12.349 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.126 11.977 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.030 13.478 6.416 1.00 0.00 H new ATOM 1409 N LYS A 83 70.509 9.532 2.992 1.00 0.00 N ATOM 1410 CA LYS A 83 70.306 8.714 1.768 1.00 0.00 C ATOM 1411 C LYS A 83 70.949 7.328 1.917 1.00 0.00 C ATOM 1412 O LYS A 83 71.403 6.749 0.951 1.00 0.00 O ATOM 1413 CB LYS A 83 70.931 9.433 0.569 1.00 0.00 C ATOM 1414 CG LYS A 83 70.479 10.895 0.559 1.00 0.00 C ATOM 1415 CD LYS A 83 71.526 11.747 -0.163 1.00 0.00 C ATOM 1416 CE LYS A 83 70.891 12.405 -1.390 1.00 0.00 C ATOM 1417 NZ LYS A 83 71.887 12.455 -2.498 1.00 0.00 N ATOM 0 H LYS A 83 71.479 9.654 3.284 1.00 0.00 H new ATOM 0 HA LYS A 83 69.235 8.584 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 83 72.018 9.378 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.634 8.943 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.514 10.985 0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.345 11.252 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.917 12.510 0.510 1.00 0.00 H new ATOM 0 HD3 LYS A 83 72.369 11.126 -0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 83 70.011 11.843 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 83 70.555 13.412 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 71.456 12.902 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 72.714 13.009 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 72.187 11.489 -2.739 1.00 0.00 H new ATOM 1431 N LEU A 84 71.000 6.783 3.105 1.00 0.00 N ATOM 1432 CA LEU A 84 71.621 5.440 3.267 1.00 0.00 C ATOM 1433 C LEU A 84 70.917 4.628 4.359 1.00 0.00 C ATOM 1434 O LEU A 84 70.375 3.570 4.107 1.00 0.00 O ATOM 1435 CB LEU A 84 73.093 5.613 3.634 1.00 0.00 C ATOM 1436 CG LEU A 84 73.762 6.500 2.590 1.00 0.00 C ATOM 1437 CD1 LEU A 84 75.203 6.793 3.012 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.765 5.783 1.239 1.00 0.00 C ATOM 0 H LEU A 84 70.642 7.207 3.961 1.00 0.00 H new ATOM 0 HA LEU A 84 71.524 4.899 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.185 6.061 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.587 4.642 3.677 1.00 0.00 H new ATOM 0 HG LEU A 84 73.211 7.437 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.679 7.427 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 84 75.203 7.304 3.975 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.754 5.857 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.243 6.417 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 84 74.315 4.846 1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.739 5.575 0.935 1.00 0.00 H new ATOM 1450 N GLY A 85 70.940 5.102 5.569 1.00 0.00 N ATOM 1451 CA GLY A 85 70.296 4.347 6.687 1.00 0.00 C ATOM 1452 C GLY A 85 71.185 4.461 7.924 1.00 0.00 C ATOM 1453 O GLY A 85 71.543 3.485 8.552 1.00 0.00 O ATOM 0 H GLY A 85 71.378 5.983 5.838 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.305 4.750 6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 85 70.164 3.301 6.411 1.00 0.00 H new ATOM 1457 N ILE A 86 71.565 5.661 8.245 1.00 0.00 N ATOM 1458 CA ILE A 86 72.455 5.922 9.394 1.00 0.00 C ATOM 1459 C ILE A 86 71.629 6.103 10.679 1.00 0.00 C ATOM 1460 O ILE A 86 71.403 5.161 11.411 1.00 0.00 O ATOM 1461 CB ILE A 86 73.227 7.195 9.042 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.801 7.871 10.270 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.295 8.172 8.346 1.00 0.00 C ATOM 1464 CD1 ILE A 86 74.352 6.825 11.239 1.00 0.00 C ATOM 0 H ILE A 86 71.282 6.499 7.737 1.00 0.00 H new ATOM 0 HA ILE A 86 73.137 5.092 9.580 1.00 0.00 H new ATOM 0 HB ILE A 86 74.053 6.908 8.391 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.594 8.560 9.978 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.029 8.463 10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.842 9.080 8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.906 7.718 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.467 8.420 9.009 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.762 7.323 12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.550 6.153 11.544 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.138 6.252 10.747 1.00 0.00 H new ATOM 1476 N ARG A 87 71.174 7.294 10.960 1.00 0.00 N ATOM 1477 CA ARG A 87 70.377 7.524 12.172 1.00 0.00 C ATOM 1478 C ARG A 87 68.899 7.558 11.795 1.00 0.00 C ATOM 1479 O ARG A 87 68.376 6.639 11.196 1.00 0.00 O ATOM 1480 CB ARG A 87 70.821 8.853 12.789 1.00 0.00 C ATOM 1481 CG ARG A 87 72.276 8.741 13.249 1.00 0.00 C ATOM 1482 CD ARG A 87 72.321 8.160 14.664 1.00 0.00 C ATOM 1483 NE ARG A 87 73.330 7.065 14.720 1.00 0.00 N ATOM 1484 CZ ARG A 87 74.437 7.231 15.390 1.00 0.00 C ATOM 1485 NH1 ARG A 87 75.238 8.217 15.091 1.00 0.00 N ATOM 1486 NH2 ARG A 87 74.743 6.411 16.357 1.00 0.00 N ATOM 0 H ARG A 87 71.330 8.122 10.385 1.00 0.00 H new ATOM 0 HA ARG A 87 70.525 6.726 12.900 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.720 9.657 12.060 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.180 9.106 13.633 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.837 8.104 12.565 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.750 9.722 13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.576 8.940 15.381 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.339 7.779 14.943 1.00 0.00 H new ATOM 0 HE ARG A 87 73.155 6.185 14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 87 74.998 8.857 14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 87 76.104 8.347 15.614 1.00 0.00 H new ATOM 0 HH21 ARG A 87 74.117 5.640 16.589 1.00 0.00 H new ATOM 0 HH22 ARG A 87 75.609 6.541 16.881 1.00 0.00 H new ATOM 1500 N GLY A 88 68.232 8.604 12.139 1.00 0.00 N ATOM 1501 CA GLY A 88 66.782 8.718 11.811 1.00 0.00 C ATOM 1502 C GLY A 88 65.984 8.955 13.094 1.00 0.00 C ATOM 1503 O GLY A 88 65.232 9.916 13.132 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.136 8.171 14.015 1.00 0.00 O ATOM 0 H GLY A 88 68.624 9.401 12.640 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.620 9.539 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.437 7.809 11.319 1.00 0.00 H new