USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot -60:sc= 0.993 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.666 X(o=1.7,f=2.1) USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= -0.0369 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -156:sc= 0.0624 (180deg=0) USER MOD Set 3.1: A 18 CYS SG : rot 29:sc= 0.255 USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= -0.144 F(o=-0.31,f=0.43) USER MOD Set 3.3: A 91 TYR OH : rot 180:sc= -0.154 USER MOD Set 3.4: A 93 CYS SG : rot 122:sc= 0.0411 USER MOD Set 3.5: A 95 CYS SG : rot -139:sc= 0.429 USER MOD Single : A 7 HIS :FLIP no HD1:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.217 K(o=-0.22,f=-0.98) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -103:sc= 1.53 USER MOD Single : A 57 ASN : amide:sc= 0.746 K(o=0.75,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= -0.0212 (180deg=-0.29) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -169:sc= 0 (180deg=-0.153) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 1.06 (180deg=0.896) USER MOD Single : A 76 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.12) USER MOD Single : A 80 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.11) USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= -0.414 (180deg=-0.795) USER MOD Single : A 86 SER OG : rot 180:sc= -0.141 USER MOD Single : A 87 ASN : amide:sc= -0.0427 K(o=-0.043,f=-2.5!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0.349 X(o=0.35,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -4.317 -5.044 1.298 1.00 10.30 N ATOM 60 CA ILE A 5 -5.441 -4.923 2.205 1.00 64.43 C ATOM 61 C ILE A 5 -6.449 -6.056 1.993 1.00 70.11 C ATOM 62 O ILE A 5 -7.102 -6.495 2.940 1.00 75.34 O ATOM 63 CB ILE A 5 -6.123 -3.542 2.032 1.00 61.52 C ATOM 64 CG1 ILE A 5 -6.379 -2.883 3.387 1.00 13.02 C ATOM 65 CG2 ILE A 5 -7.419 -3.652 1.242 1.00 54.33 C ATOM 66 CD1 ILE A 5 -7.314 -3.657 4.285 1.00 42.02 C ATOM 0 HA ILE A 5 -5.065 -5.002 3.225 1.00 64.43 H new ATOM 0 HB ILE A 5 -5.438 -2.912 1.465 1.00 61.52 H new ATOM 0 HG12 ILE A 5 -5.426 -2.751 3.900 1.00 13.02 H new ATOM 0 HG13 ILE A 5 -6.792 -1.888 3.222 1.00 13.02 H new ATOM 0 HG21 ILE A 5 -7.869 -2.664 1.141 1.00 54.33 H new ATOM 0 HG22 ILE A 5 -7.209 -4.058 0.252 1.00 54.33 H new ATOM 0 HG23 ILE A 5 -8.109 -4.313 1.766 1.00 54.33 H new ATOM 0 HD11 ILE A 5 -7.442 -3.121 5.225 1.00 42.02 H new ATOM 0 HD12 ILE A 5 -8.282 -3.766 3.795 1.00 42.02 H new ATOM 0 HD13 ILE A 5 -6.894 -4.643 4.484 1.00 42.02 H new ATOM 78 N GLU A 6 -6.549 -6.554 0.764 1.00 41.34 N ATOM 79 CA GLU A 6 -7.494 -7.627 0.470 1.00 1.13 C ATOM 80 C GLU A 6 -7.042 -8.891 1.170 1.00 15.05 C ATOM 81 O GLU A 6 -7.851 -9.658 1.692 1.00 52.44 O ATOM 82 CB GLU A 6 -7.638 -7.884 -1.036 1.00 12.55 C ATOM 83 CG GLU A 6 -8.545 -6.894 -1.753 1.00 21.25 C ATOM 84 CD GLU A 6 -7.804 -5.703 -2.325 1.00 32.44 C ATOM 85 OE1 GLU A 6 -7.644 -4.693 -1.615 1.00 34.12 O ATOM 86 OE2 GLU A 6 -7.388 -5.771 -3.505 1.00 5.53 O ATOM 0 H GLU A 6 -5.997 -6.238 -0.033 1.00 41.34 H new ATOM 0 HA GLU A 6 -8.474 -7.320 0.835 1.00 1.13 H new ATOM 0 HB2 GLU A 6 -6.650 -7.853 -1.495 1.00 12.55 H new ATOM 0 HB3 GLU A 6 -8.027 -8.891 -1.186 1.00 12.55 H new ATOM 0 HG2 GLU A 6 -9.067 -7.409 -2.559 1.00 21.25 H new ATOM 0 HG3 GLU A 6 -9.305 -6.539 -1.057 1.00 21.25 H new ATOM 93 N HIS A 7 -5.731 -9.078 1.194 1.00 21.10 N ATOM 94 CA HIS A 7 -5.121 -10.174 1.922 1.00 34.45 C ATOM 95 C HIS A 7 -5.550 -10.108 3.383 1.00 44.31 C ATOM 96 O HIS A 7 -5.914 -11.118 3.978 1.00 51.25 O ATOM 97 CB HIS A 7 -3.593 -10.075 1.813 1.00 60.13 C ATOM 98 CG HIS A 7 -2.862 -11.367 2.009 1.00 14.22 C ATOM 99 ND1 HIS A 7 -2.857 -12.223 3.060 1.00 25.54 N flip ATOM 100 CD2 HIS A 7 -1.993 -11.898 1.081 1.00 75.34 C flip ATOM 101 CE1 HIS A 7 -1.990 -13.278 2.784 1.00 74.13 C flip ATOM 102 NE2 HIS A 7 -1.499 -13.035 1.584 1.00 31.23 N flip ATOM 0 H HIS A 7 -5.065 -8.476 0.711 1.00 21.10 H new ATOM 0 HA HIS A 7 -5.444 -11.125 1.497 1.00 34.45 H new ATOM 0 HB2 HIS A 7 -3.338 -9.676 0.831 1.00 60.13 H new ATOM 0 HB3 HIS A 7 -3.236 -9.357 2.551 1.00 60.13 H new ATOM 0 HD2 HIS A 7 -1.753 -11.472 0.118 1.00 75.34 H new ATOM 0 HE1 HIS A 7 -1.766 -14.121 3.421 1.00 74.13 H new ATOM 0 HE2 HIS A 7 -0.830 -13.636 1.102 1.00 31.23 H new ATOM 110 N LYS A 8 -5.540 -8.895 3.937 1.00 15.00 N ATOM 111 CA LYS A 8 -5.906 -8.675 5.335 1.00 73.23 C ATOM 112 C LYS A 8 -7.356 -9.054 5.580 1.00 32.13 C ATOM 113 O LYS A 8 -7.659 -9.808 6.505 1.00 0.35 O ATOM 114 CB LYS A 8 -5.708 -7.209 5.724 1.00 64.41 C ATOM 115 CG LYS A 8 -4.383 -6.630 5.278 1.00 0.02 C ATOM 116 CD LYS A 8 -3.224 -7.471 5.763 1.00 53.41 C ATOM 117 CE LYS A 8 -1.907 -6.929 5.257 1.00 23.22 C ATOM 118 NZ LYS A 8 -0.758 -7.625 5.896 1.00 41.10 N ATOM 0 H LYS A 8 -5.281 -8.046 3.435 1.00 15.00 H new ATOM 0 HA LYS A 8 -5.258 -9.304 5.945 1.00 73.23 H new ATOM 0 HB2 LYS A 8 -6.515 -6.617 5.293 1.00 64.41 H new ATOM 0 HB3 LYS A 8 -5.788 -7.117 6.807 1.00 64.41 H new ATOM 0 HG2 LYS A 8 -4.359 -6.567 4.190 1.00 0.02 H new ATOM 0 HG3 LYS A 8 -4.282 -5.614 5.658 1.00 0.02 H new ATOM 0 HD2 LYS A 8 -3.217 -7.492 6.853 1.00 53.41 H new ATOM 0 HD3 LYS A 8 -3.351 -8.500 5.425 1.00 53.41 H new ATOM 0 HE2 LYS A 8 -1.853 -7.050 4.175 1.00 23.22 H new ATOM 0 HE3 LYS A 8 -1.848 -5.860 5.462 1.00 23.22 H new ATOM 0 HZ1 LYS A 8 0.133 -7.233 5.530 1.00 41.10 H new ATOM 0 HZ2 LYS A 8 -0.799 -7.489 6.926 1.00 41.10 H new ATOM 0 HZ3 LYS A 8 -0.804 -8.641 5.679 1.00 41.10 H new ATOM 132 N VAL A 9 -8.244 -8.521 4.744 1.00 55.23 N ATOM 133 CA VAL A 9 -9.673 -8.784 4.867 1.00 60.43 C ATOM 134 C VAL A 9 -9.940 -10.282 4.880 1.00 72.24 C ATOM 135 O VAL A 9 -10.737 -10.780 5.675 1.00 65.51 O ATOM 136 CB VAL A 9 -10.472 -8.137 3.716 1.00 14.11 C ATOM 137 CG1 VAL A 9 -11.958 -8.415 3.875 1.00 40.40 C ATOM 138 CG2 VAL A 9 -10.207 -6.640 3.649 1.00 22.32 C ATOM 0 H VAL A 9 -7.996 -7.902 3.972 1.00 55.23 H new ATOM 0 HA VAL A 9 -10.002 -8.343 5.808 1.00 60.43 H new ATOM 0 HB VAL A 9 -10.140 -8.581 2.778 1.00 14.11 H new ATOM 0 HG11 VAL A 9 -12.505 -7.951 3.054 1.00 40.40 H new ATOM 0 HG12 VAL A 9 -12.130 -9.491 3.863 1.00 40.40 H new ATOM 0 HG13 VAL A 9 -12.306 -8.002 4.822 1.00 40.40 H new ATOM 0 HG21 VAL A 9 -10.781 -6.205 2.830 1.00 22.32 H new ATOM 0 HG22 VAL A 9 -10.506 -6.175 4.589 1.00 22.32 H new ATOM 0 HG23 VAL A 9 -9.144 -6.466 3.480 1.00 22.32 H new ATOM 148 N TYR A 10 -9.242 -11.000 4.019 1.00 34.24 N ATOM 149 CA TYR A 10 -9.385 -12.443 3.954 1.00 50.15 C ATOM 150 C TYR A 10 -8.885 -13.077 5.243 1.00 2.31 C ATOM 151 O TYR A 10 -9.598 -13.850 5.872 1.00 62.31 O ATOM 152 CB TYR A 10 -8.611 -13.018 2.764 1.00 52.31 C ATOM 153 CG TYR A 10 -9.212 -12.721 1.404 1.00 71.14 C ATOM 154 CD1 TYR A 10 -10.063 -11.642 1.200 1.00 42.31 C ATOM 155 CD2 TYR A 10 -8.930 -13.542 0.322 1.00 31.22 C ATOM 156 CE1 TYR A 10 -10.611 -11.387 -0.041 1.00 1.34 C ATOM 157 CE2 TYR A 10 -9.476 -13.296 -0.924 1.00 4.24 C ATOM 158 CZ TYR A 10 -10.318 -12.218 -1.099 1.00 21.12 C ATOM 159 OH TYR A 10 -10.865 -11.970 -2.336 1.00 73.31 O ATOM 0 H TYR A 10 -8.572 -10.609 3.357 1.00 34.24 H new ATOM 0 HA TYR A 10 -10.443 -12.672 3.823 1.00 50.15 H new ATOM 0 HB2 TYR A 10 -7.594 -12.627 2.788 1.00 52.31 H new ATOM 0 HB3 TYR A 10 -8.540 -14.099 2.885 1.00 52.31 H new ATOM 0 HD1 TYR A 10 -10.300 -10.990 2.028 1.00 42.31 H new ATOM 0 HD2 TYR A 10 -8.272 -14.388 0.455 1.00 31.22 H new ATOM 0 HE1 TYR A 10 -11.266 -10.540 -0.181 1.00 1.34 H new ATOM 0 HE2 TYR A 10 -9.244 -13.945 -1.756 1.00 4.24 H new ATOM 0 HH TYR A 10 -10.557 -12.649 -2.972 1.00 73.31 H new ATOM 169 N GLN A 11 -7.675 -12.692 5.647 1.00 60.30 N ATOM 170 CA GLN A 11 -6.978 -13.304 6.781 1.00 72.43 C ATOM 171 C GLN A 11 -7.846 -13.417 8.034 1.00 62.34 C ATOM 172 O GLN A 11 -7.865 -14.459 8.690 1.00 43.01 O ATOM 173 CB GLN A 11 -5.711 -12.515 7.113 1.00 31.53 C ATOM 174 CG GLN A 11 -4.590 -12.690 6.103 1.00 41.30 C ATOM 175 CD GLN A 11 -4.206 -14.140 5.883 1.00 55.23 C ATOM 176 OE1 GLN A 11 -3.361 -14.686 6.593 1.00 32.13 O ATOM 177 NE2 GLN A 11 -4.810 -14.762 4.883 1.00 50.14 N ATOM 0 H GLN A 11 -7.147 -11.944 5.196 1.00 60.30 H new ATOM 0 HA GLN A 11 -6.724 -14.318 6.471 1.00 72.43 H new ATOM 0 HB2 GLN A 11 -5.962 -11.457 7.181 1.00 31.53 H new ATOM 0 HB3 GLN A 11 -5.352 -12.821 8.095 1.00 31.53 H new ATOM 0 HG2 GLN A 11 -4.895 -12.253 5.152 1.00 41.30 H new ATOM 0 HG3 GLN A 11 -3.714 -12.136 6.442 1.00 41.30 H new ATOM 0 HE21 GLN A 11 -5.504 -14.269 4.321 1.00 50.14 H new ATOM 0 HE22 GLN A 11 -4.581 -15.734 4.674 1.00 50.14 H new ATOM 186 N LEU A 12 -8.563 -12.357 8.365 1.00 31.24 N ATOM 187 CA LEU A 12 -9.328 -12.329 9.602 1.00 41.20 C ATOM 188 C LEU A 12 -10.775 -12.747 9.392 1.00 50.51 C ATOM 189 O LEU A 12 -11.321 -13.506 10.187 1.00 11.23 O ATOM 190 CB LEU A 12 -9.239 -10.947 10.264 1.00 14.31 C ATOM 191 CG LEU A 12 -8.933 -9.767 9.334 1.00 63.32 C ATOM 192 CD1 LEU A 12 -10.172 -9.332 8.568 1.00 61.14 C ATOM 193 CD2 LEU A 12 -8.356 -8.605 10.128 1.00 13.15 C ATOM 0 H LEU A 12 -8.632 -11.510 7.801 1.00 31.24 H new ATOM 0 HA LEU A 12 -8.884 -13.062 10.275 1.00 41.20 H new ATOM 0 HB2 LEU A 12 -10.184 -10.748 10.769 1.00 14.31 H new ATOM 0 HB3 LEU A 12 -8.468 -10.985 11.033 1.00 14.31 H new ATOM 0 HG LEU A 12 -8.192 -10.094 8.605 1.00 63.32 H new ATOM 0 HD11 LEU A 12 -9.922 -8.494 7.918 1.00 61.14 H new ATOM 0 HD12 LEU A 12 -10.537 -10.163 7.965 1.00 61.14 H new ATOM 0 HD13 LEU A 12 -10.946 -9.027 9.272 1.00 61.14 H new ATOM 0 HD21 LEU A 12 -8.144 -7.774 9.455 1.00 13.15 H new ATOM 0 HD22 LEU A 12 -9.076 -8.286 10.882 1.00 13.15 H new ATOM 0 HD23 LEU A 12 -7.434 -8.921 10.617 1.00 13.15 H new ATOM 205 N LEU A 13 -11.389 -12.288 8.316 1.00 44.32 N ATOM 206 CA LEU A 13 -12.803 -12.565 8.086 1.00 63.34 C ATOM 207 C LEU A 13 -13.066 -14.043 7.861 1.00 72.54 C ATOM 208 O LEU A 13 -14.046 -14.587 8.376 1.00 70.55 O ATOM 209 CB LEU A 13 -13.339 -11.769 6.907 1.00 24.25 C ATOM 210 CG LEU A 13 -13.436 -10.267 7.133 1.00 43.11 C ATOM 211 CD1 LEU A 13 -14.226 -9.629 6.010 1.00 42.43 C ATOM 212 CD2 LEU A 13 -14.078 -9.979 8.477 1.00 45.32 C ATOM 0 H LEU A 13 -10.940 -11.727 7.592 1.00 44.32 H new ATOM 0 HA LEU A 13 -13.327 -12.258 8.991 1.00 63.34 H new ATOM 0 HB2 LEU A 13 -12.698 -11.950 6.044 1.00 24.25 H new ATOM 0 HB3 LEU A 13 -14.329 -12.147 6.653 1.00 24.25 H new ATOM 0 HG LEU A 13 -12.433 -9.840 7.138 1.00 43.11 H new ATOM 0 HD11 LEU A 13 -14.292 -8.554 6.177 1.00 42.43 H new ATOM 0 HD12 LEU A 13 -13.726 -9.819 5.060 1.00 42.43 H new ATOM 0 HD13 LEU A 13 -15.229 -10.055 5.983 1.00 42.43 H new ATOM 0 HD21 LEU A 13 -14.141 -8.901 8.626 1.00 45.32 H new ATOM 0 HD22 LEU A 13 -15.080 -10.408 8.501 1.00 45.32 H new ATOM 0 HD23 LEU A 13 -13.475 -10.420 9.270 1.00 45.32 H new ATOM 224 N LYS A 14 -12.209 -14.688 7.085 1.00 62.44 N ATOM 225 CA LYS A 14 -12.363 -16.116 6.823 1.00 63.34 C ATOM 226 C LYS A 14 -12.183 -16.922 8.113 1.00 44.11 C ATOM 227 O LYS A 14 -12.714 -18.025 8.244 1.00 24.42 O ATOM 228 CB LYS A 14 -11.374 -16.595 5.758 1.00 54.52 C ATOM 229 CG LYS A 14 -9.944 -16.685 6.252 1.00 32.10 C ATOM 230 CD LYS A 14 -9.049 -17.400 5.261 1.00 71.33 C ATOM 231 CE LYS A 14 -7.624 -17.496 5.781 1.00 25.41 C ATOM 232 NZ LYS A 14 -6.757 -18.300 4.884 1.00 64.32 N ATOM 0 H LYS A 14 -11.407 -14.254 6.629 1.00 62.44 H new ATOM 0 HA LYS A 14 -13.372 -16.277 6.445 1.00 63.34 H new ATOM 0 HB2 LYS A 14 -11.687 -17.575 5.398 1.00 54.52 H new ATOM 0 HB3 LYS A 14 -11.413 -15.916 4.907 1.00 54.52 H new ATOM 0 HG2 LYS A 14 -9.558 -15.682 6.432 1.00 32.10 H new ATOM 0 HG3 LYS A 14 -9.922 -17.211 7.207 1.00 32.10 H new ATOM 0 HD2 LYS A 14 -9.438 -18.400 5.071 1.00 71.33 H new ATOM 0 HD3 LYS A 14 -9.057 -16.868 4.309 1.00 71.33 H new ATOM 0 HE2 LYS A 14 -7.208 -16.494 5.885 1.00 25.41 H new ATOM 0 HE3 LYS A 14 -7.630 -17.943 6.775 1.00 25.41 H new ATOM 0 HZ1 LYS A 14 -5.794 -18.340 5.276 1.00 64.32 H new ATOM 0 HZ2 LYS A 14 -7.139 -19.264 4.805 1.00 64.32 H new ATOM 0 HZ3 LYS A 14 -6.729 -17.860 3.942 1.00 64.32 H new ATOM 246 N ASP A 15 -11.442 -16.357 9.066 1.00 2.34 N ATOM 247 CA ASP A 15 -11.232 -16.997 10.364 1.00 4.44 C ATOM 248 C ASP A 15 -12.494 -16.919 11.204 1.00 71.23 C ATOM 249 O ASP A 15 -12.914 -17.905 11.813 1.00 71.01 O ATOM 250 CB ASP A 15 -10.087 -16.322 11.119 1.00 12.11 C ATOM 251 CG ASP A 15 -9.847 -16.941 12.486 1.00 10.41 C ATOM 252 OD1 ASP A 15 -10.532 -16.549 13.455 1.00 3.20 O ATOM 253 OD2 ASP A 15 -8.961 -17.814 12.603 1.00 25.21 O ATOM 0 H ASP A 15 -10.976 -15.455 8.963 1.00 2.34 H new ATOM 0 HA ASP A 15 -10.978 -18.042 10.185 1.00 4.44 H new ATOM 0 HB2 ASP A 15 -9.175 -16.392 10.527 1.00 12.11 H new ATOM 0 HB3 ASP A 15 -10.310 -15.262 11.238 1.00 12.11 H new ATOM 258 N GLN A 16 -13.096 -15.733 11.221 1.00 5.11 N ATOM 259 CA GLN A 16 -14.305 -15.488 12.007 1.00 4.21 C ATOM 260 C GLN A 16 -15.440 -16.363 11.509 1.00 13.14 C ATOM 261 O GLN A 16 -16.370 -16.688 12.245 1.00 53.42 O ATOM 262 CB GLN A 16 -14.733 -14.018 11.924 1.00 65.32 C ATOM 263 CG GLN A 16 -13.597 -13.036 12.035 1.00 42.23 C ATOM 264 CD GLN A 16 -13.918 -11.897 12.974 1.00 63.44 C ATOM 265 OE1 GLN A 16 -14.609 -12.068 13.979 1.00 62.21 O ATOM 266 NE2 GLN A 16 -13.456 -10.720 12.619 1.00 23.02 N ATOM 0 H GLN A 16 -12.766 -14.922 10.697 1.00 5.11 H new ATOM 0 HA GLN A 16 -14.078 -15.730 13.045 1.00 4.21 H new ATOM 0 HB2 GLN A 16 -15.248 -13.854 10.978 1.00 65.32 H new ATOM 0 HB3 GLN A 16 -15.452 -13.815 12.718 1.00 65.32 H new ATOM 0 HG2 GLN A 16 -12.704 -13.554 12.386 1.00 42.23 H new ATOM 0 HG3 GLN A 16 -13.366 -12.637 11.047 1.00 42.23 H new ATOM 0 HE21 GLN A 16 -12.887 -10.628 11.777 1.00 23.02 H new ATOM 0 HE22 GLN A 16 -13.666 -9.898 13.185 1.00 23.02 H new ATOM 275 N GLY A 17 -15.347 -16.743 10.250 1.00 41.41 N ATOM 276 CA GLY A 17 -16.370 -17.551 9.653 1.00 21.23 C ATOM 277 C GLY A 17 -17.083 -16.823 8.550 1.00 54.05 C ATOM 278 O GLY A 17 -18.305 -16.906 8.423 1.00 53.41 O ATOM 0 H GLY A 17 -14.574 -16.502 9.630 1.00 41.41 H new ATOM 0 HA2 GLY A 17 -15.927 -18.465 9.258 1.00 21.23 H new ATOM 0 HA3 GLY A 17 -17.089 -17.849 10.416 1.00 21.23 H new ATOM 282 N CYS A 18 -16.339 -16.062 7.766 1.00 34.41 N ATOM 283 CA CYS A 18 -16.928 -15.396 6.623 1.00 51.41 C ATOM 284 C CYS A 18 -16.177 -15.729 5.348 1.00 21.14 C ATOM 285 O CYS A 18 -14.952 -15.737 5.327 1.00 2.01 O ATOM 286 CB CYS A 18 -16.933 -13.885 6.818 1.00 52.34 C ATOM 287 SG CYS A 18 -18.241 -13.046 5.872 1.00 1.52 S ATOM 0 H CYS A 18 -15.342 -15.893 7.898 1.00 34.41 H new ATOM 0 HA CYS A 18 -17.954 -15.753 6.535 1.00 51.41 H new ATOM 0 HB2 CYS A 18 -17.060 -13.662 7.877 1.00 52.34 H new ATOM 0 HB3 CYS A 18 -15.964 -13.483 6.521 1.00 52.34 H new ATOM 0 HG CYS A 18 -19.246 -13.855 5.710 1.00 1.52 H new ATOM 292 N GLU A 19 -16.919 -16.021 4.298 1.00 64.34 N ATOM 293 CA GLU A 19 -16.347 -16.159 2.965 1.00 0.03 C ATOM 294 C GLU A 19 -16.996 -15.146 2.023 1.00 64.31 C ATOM 295 O GLU A 19 -16.569 -14.963 0.881 1.00 23.22 O ATOM 296 CB GLU A 19 -16.555 -17.585 2.428 1.00 22.50 C ATOM 297 CG GLU A 19 -17.971 -17.880 1.928 1.00 41.40 C ATOM 298 CD GLU A 19 -19.014 -17.941 3.029 1.00 72.33 C ATOM 299 OE1 GLU A 19 -19.216 -16.926 3.719 1.00 10.20 O ATOM 300 OE2 GLU A 19 -19.645 -19.004 3.200 1.00 4.54 O ATOM 0 H GLU A 19 -17.927 -16.169 4.339 1.00 64.34 H new ATOM 0 HA GLU A 19 -15.275 -15.968 3.022 1.00 0.03 H new ATOM 0 HB2 GLU A 19 -15.853 -17.757 1.612 1.00 22.50 H new ATOM 0 HB3 GLU A 19 -16.308 -18.295 3.217 1.00 22.50 H new ATOM 0 HG2 GLU A 19 -18.259 -17.112 1.211 1.00 41.40 H new ATOM 0 HG3 GLU A 19 -17.966 -18.830 1.393 1.00 41.40 H new ATOM 307 N ASP A 20 -18.024 -14.475 2.531 1.00 11.42 N ATOM 308 CA ASP A 20 -18.851 -13.588 1.726 1.00 14.34 C ATOM 309 C ASP A 20 -18.323 -12.159 1.756 1.00 5.24 C ATOM 310 O ASP A 20 -18.774 -11.323 2.552 1.00 21.13 O ATOM 311 CB ASP A 20 -20.297 -13.622 2.223 1.00 33.43 C ATOM 312 CG ASP A 20 -21.266 -12.971 1.257 1.00 24.11 C ATOM 313 OD1 ASP A 20 -21.470 -11.744 1.344 1.00 40.40 O ATOM 314 OD2 ASP A 20 -21.838 -13.690 0.412 1.00 74.35 O ATOM 0 H ASP A 20 -18.306 -14.531 3.510 1.00 11.42 H new ATOM 0 HA ASP A 20 -18.816 -13.940 0.695 1.00 14.34 H new ATOM 0 HB2 ASP A 20 -20.596 -14.657 2.387 1.00 33.43 H new ATOM 0 HB3 ASP A 20 -20.357 -13.116 3.187 1.00 33.43 H new ATOM 319 N PHE A 21 -17.328 -11.913 0.921 1.00 44.01 N ATOM 320 CA PHE A 21 -16.750 -10.583 0.750 1.00 75.12 C ATOM 321 C PHE A 21 -15.869 -10.543 -0.495 1.00 5.22 C ATOM 322 O PHE A 21 -15.373 -11.578 -0.944 1.00 21.12 O ATOM 323 CB PHE A 21 -15.943 -10.159 1.991 1.00 15.10 C ATOM 324 CG PHE A 21 -15.063 -11.236 2.570 1.00 13.42 C ATOM 325 CD1 PHE A 21 -13.779 -11.450 2.096 1.00 52.43 C ATOM 326 CD2 PHE A 21 -15.525 -12.024 3.607 1.00 62.31 C ATOM 327 CE1 PHE A 21 -12.976 -12.434 2.647 1.00 71.35 C ATOM 328 CE2 PHE A 21 -14.734 -13.006 4.155 1.00 43.44 C ATOM 329 CZ PHE A 21 -13.454 -13.215 3.680 1.00 72.15 C ATOM 0 H PHE A 21 -16.894 -12.629 0.339 1.00 44.01 H new ATOM 0 HA PHE A 21 -17.570 -9.875 0.626 1.00 75.12 H new ATOM 0 HB2 PHE A 21 -15.321 -9.303 1.728 1.00 15.10 H new ATOM 0 HB3 PHE A 21 -16.637 -9.823 2.761 1.00 15.10 H new ATOM 0 HD1 PHE A 21 -13.400 -10.842 1.288 1.00 52.43 H new ATOM 0 HD2 PHE A 21 -16.521 -11.866 3.992 1.00 62.31 H new ATOM 0 HE1 PHE A 21 -11.976 -12.590 2.269 1.00 71.35 H new ATOM 0 HE2 PHE A 21 -15.115 -13.617 4.960 1.00 43.44 H new ATOM 0 HZ PHE A 21 -12.832 -13.984 4.114 1.00 72.15 H new ATOM 339 N GLY A 22 -15.694 -9.352 -1.052 1.00 42.04 N ATOM 340 CA GLY A 22 -14.873 -9.193 -2.238 1.00 45.44 C ATOM 341 C GLY A 22 -14.811 -7.747 -2.685 1.00 10.40 C ATOM 342 O GLY A 22 -15.438 -6.881 -2.079 1.00 71.33 O ATOM 0 H GLY A 22 -16.108 -8.488 -0.702 1.00 42.04 H new ATOM 0 HA2 GLY A 22 -13.865 -9.555 -2.034 1.00 45.44 H new ATOM 0 HA3 GLY A 22 -15.275 -9.807 -3.044 1.00 45.44 H new ATOM 346 N THR A 23 -14.060 -7.481 -3.739 1.00 70.14 N ATOM 347 CA THR A 23 -13.911 -6.126 -4.244 1.00 1.44 C ATOM 348 C THR A 23 -14.684 -5.937 -5.541 1.00 62.13 C ATOM 349 O THR A 23 -14.859 -6.880 -6.316 1.00 22.21 O ATOM 350 CB THR A 23 -12.427 -5.786 -4.485 1.00 22.11 C ATOM 351 OG1 THR A 23 -11.768 -6.888 -5.124 1.00 60.42 O ATOM 352 CG2 THR A 23 -11.722 -5.458 -3.182 1.00 11.12 C ATOM 0 H THR A 23 -13.543 -8.186 -4.263 1.00 70.14 H new ATOM 0 HA THR A 23 -14.314 -5.454 -3.487 1.00 1.44 H new ATOM 0 HB THR A 23 -12.383 -4.909 -5.131 1.00 22.11 H new ATOM 0 HG1 THR A 23 -10.826 -6.663 -5.275 1.00 60.42 H new ATOM 0 HG21 THR A 23 -10.677 -5.222 -3.383 1.00 11.12 H new ATOM 0 HG22 THR A 23 -12.204 -4.600 -2.714 1.00 11.12 H new ATOM 0 HG23 THR A 23 -11.778 -6.316 -2.512 1.00 11.12 H new ATOM 360 N LYS A 24 -15.163 -4.725 -5.771 1.00 60.32 N ATOM 361 CA LYS A 24 -15.787 -4.397 -7.038 1.00 54.21 C ATOM 362 C LYS A 24 -15.192 -3.114 -7.601 1.00 13.21 C ATOM 363 O LYS A 24 -14.859 -2.188 -6.860 1.00 43.10 O ATOM 364 CB LYS A 24 -17.309 -4.244 -6.906 1.00 62.42 C ATOM 365 CG LYS A 24 -17.756 -2.950 -6.239 1.00 23.41 C ATOM 366 CD LYS A 24 -19.169 -2.582 -6.665 1.00 52.35 C ATOM 367 CE LYS A 24 -19.636 -1.271 -6.044 1.00 73.30 C ATOM 368 NZ LYS A 24 -21.002 -0.893 -6.500 1.00 2.22 N ATOM 0 H LYS A 24 -15.131 -3.958 -5.100 1.00 60.32 H new ATOM 0 HA LYS A 24 -15.591 -5.225 -7.720 1.00 54.21 H new ATOM 0 HB2 LYS A 24 -17.755 -4.299 -7.899 1.00 62.42 H new ATOM 0 HB3 LYS A 24 -17.698 -5.086 -6.334 1.00 62.42 H new ATOM 0 HG2 LYS A 24 -17.716 -3.061 -5.155 1.00 23.41 H new ATOM 0 HG3 LYS A 24 -17.071 -2.144 -6.502 1.00 23.41 H new ATOM 0 HD2 LYS A 24 -19.210 -2.502 -7.751 1.00 52.35 H new ATOM 0 HD3 LYS A 24 -19.853 -3.381 -6.379 1.00 52.35 H new ATOM 0 HE2 LYS A 24 -19.629 -1.362 -4.958 1.00 73.30 H new ATOM 0 HE3 LYS A 24 -18.935 -0.477 -6.303 1.00 73.30 H new ATOM 0 HZ1 LYS A 24 -21.281 0.004 -6.054 1.00 2.22 H new ATOM 0 HZ2 LYS A 24 -21.004 -0.781 -7.534 1.00 2.22 H new ATOM 0 HZ3 LYS A 24 -21.676 -1.638 -6.231 1.00 2.22 H new ATOM 743 N TYR A 47 -14.686 7.652 -13.967 1.00 32.45 N ATOM 744 CA TYR A 47 -13.968 7.437 -12.725 1.00 74.13 C ATOM 745 C TYR A 47 -14.145 6.001 -12.261 1.00 74.31 C ATOM 746 O TYR A 47 -15.184 5.389 -12.499 1.00 41.23 O ATOM 747 CB TYR A 47 -14.466 8.401 -11.641 1.00 31.21 C ATOM 748 CG TYR A 47 -14.014 9.837 -11.824 1.00 21.53 C ATOM 749 CD1 TYR A 47 -14.497 10.622 -12.864 1.00 74.24 C ATOM 750 CD2 TYR A 47 -13.097 10.406 -10.951 1.00 30.31 C ATOM 751 CE1 TYR A 47 -14.078 11.929 -13.028 1.00 41.11 C ATOM 752 CE2 TYR A 47 -12.672 11.712 -11.109 1.00 71.30 C ATOM 753 CZ TYR A 47 -13.165 12.470 -12.149 1.00 53.14 C ATOM 754 OH TYR A 47 -12.744 13.771 -12.310 1.00 40.43 O ATOM 0 HA TYR A 47 -12.909 7.627 -12.901 1.00 74.13 H new ATOM 0 HB2 TYR A 47 -15.556 8.375 -11.622 1.00 31.21 H new ATOM 0 HB3 TYR A 47 -14.122 8.046 -10.670 1.00 31.21 H new ATOM 0 HD1 TYR A 47 -15.212 10.203 -13.556 1.00 74.24 H new ATOM 0 HD2 TYR A 47 -12.708 9.817 -10.133 1.00 30.31 H new ATOM 0 HE1 TYR A 47 -14.465 12.524 -13.842 1.00 41.11 H new ATOM 0 HE2 TYR A 47 -11.957 12.136 -10.420 1.00 71.30 H new ATOM 0 HH TYR A 47 -12.101 13.996 -11.605 1.00 40.43 H new ATOM 764 N TYR A 48 -13.124 5.465 -11.620 1.00 64.25 N ATOM 765 CA TYR A 48 -13.182 4.116 -11.080 1.00 10.12 C ATOM 766 C TYR A 48 -13.829 4.122 -9.707 1.00 55.24 C ATOM 767 O TYR A 48 -13.250 4.610 -8.736 1.00 25.54 O ATOM 768 CB TYR A 48 -11.784 3.499 -10.998 1.00 64.43 C ATOM 769 CG TYR A 48 -11.272 2.961 -12.317 1.00 1.22 C ATOM 770 CD1 TYR A 48 -11.700 3.494 -13.525 1.00 44.01 C ATOM 771 CD2 TYR A 48 -10.366 1.912 -12.351 1.00 22.31 C ATOM 772 CE1 TYR A 48 -11.237 2.996 -14.727 1.00 54.14 C ATOM 773 CE2 TYR A 48 -9.897 1.411 -13.550 1.00 45.12 C ATOM 774 CZ TYR A 48 -10.336 1.957 -14.734 1.00 63.24 C ATOM 775 OH TYR A 48 -9.867 1.467 -15.931 1.00 33.21 O ATOM 0 H TYR A 48 -12.238 5.945 -11.459 1.00 64.25 H new ATOM 0 HA TYR A 48 -13.787 3.509 -11.754 1.00 10.12 H new ATOM 0 HB2 TYR A 48 -11.087 4.251 -10.629 1.00 64.43 H new ATOM 0 HB3 TYR A 48 -11.797 2.690 -10.267 1.00 64.43 H new ATOM 0 HD1 TYR A 48 -12.406 4.311 -13.525 1.00 44.01 H new ATOM 0 HD2 TYR A 48 -10.021 1.479 -11.424 1.00 22.31 H new ATOM 0 HE1 TYR A 48 -11.581 3.421 -15.658 1.00 54.14 H new ATOM 0 HE2 TYR A 48 -9.189 0.595 -13.558 1.00 45.12 H new ATOM 0 HH TYR A 48 -9.237 0.735 -15.761 1.00 33.21 H new ATOM 785 N GLY A 49 -15.039 3.600 -9.643 1.00 44.34 N ATOM 786 CA GLY A 49 -15.735 3.491 -8.383 1.00 22.22 C ATOM 787 C GLY A 49 -15.383 2.203 -7.668 1.00 11.44 C ATOM 788 O GLY A 49 -16.145 1.240 -7.698 1.00 11.04 O ATOM 0 H GLY A 49 -15.556 3.247 -10.448 1.00 44.34 H new ATOM 0 HA2 GLY A 49 -15.481 4.341 -7.750 1.00 22.22 H new ATOM 0 HA3 GLY A 49 -16.811 3.532 -8.555 1.00 22.22 H new ATOM 792 N PHE A 50 -14.211 2.174 -7.054 1.00 22.32 N ATOM 793 CA PHE A 50 -13.783 1.008 -6.297 1.00 72.52 C ATOM 794 C PHE A 50 -14.575 0.898 -5.006 1.00 11.41 C ATOM 795 O PHE A 50 -14.755 1.884 -4.292 1.00 12.42 O ATOM 796 CB PHE A 50 -12.288 1.079 -5.987 1.00 73.22 C ATOM 797 CG PHE A 50 -11.429 0.365 -6.988 1.00 64.53 C ATOM 798 CD1 PHE A 50 -11.198 -0.997 -6.866 1.00 64.42 C ATOM 799 CD2 PHE A 50 -10.845 1.044 -8.045 1.00 0.12 C ATOM 800 CE1 PHE A 50 -10.409 -1.665 -7.779 1.00 61.30 C ATOM 801 CE2 PHE A 50 -10.057 0.382 -8.955 1.00 11.51 C ATOM 802 CZ PHE A 50 -9.834 -0.972 -8.823 1.00 72.34 C ATOM 0 H PHE A 50 -13.540 2.942 -7.065 1.00 22.32 H new ATOM 0 HA PHE A 50 -13.968 0.122 -6.905 1.00 72.52 H new ATOM 0 HB2 PHE A 50 -11.985 2.125 -5.942 1.00 73.22 H new ATOM 0 HB3 PHE A 50 -12.110 0.653 -5.000 1.00 73.22 H new ATOM 0 HD1 PHE A 50 -11.642 -1.542 -6.046 1.00 64.42 H new ATOM 0 HD2 PHE A 50 -11.011 2.105 -8.155 1.00 0.12 H new ATOM 0 HE1 PHE A 50 -10.242 -2.727 -7.676 1.00 61.30 H new ATOM 0 HE2 PHE A 50 -9.611 0.924 -9.776 1.00 11.51 H new ATOM 0 HZ PHE A 50 -9.210 -1.489 -9.536 1.00 72.34 H new ATOM 812 N SER A 51 -15.086 -0.288 -4.725 1.00 33.13 N ATOM 813 CA SER A 51 -15.810 -0.521 -3.491 1.00 12.02 C ATOM 814 C SER A 51 -15.535 -1.924 -2.975 1.00 32.43 C ATOM 815 O SER A 51 -15.328 -2.852 -3.759 1.00 42.31 O ATOM 816 CB SER A 51 -17.307 -0.349 -3.725 1.00 14.41 C ATOM 817 OG SER A 51 -17.572 0.792 -4.520 1.00 54.33 O ATOM 0 H SER A 51 -15.012 -1.102 -5.335 1.00 33.13 H new ATOM 0 HA SER A 51 -15.474 0.203 -2.749 1.00 12.02 H new ATOM 0 HB2 SER A 51 -17.706 -1.237 -4.215 1.00 14.41 H new ATOM 0 HB3 SER A 51 -17.819 -0.256 -2.767 1.00 14.41 H new ATOM 0 HG SER A 51 -17.890 1.522 -3.949 1.00 54.33 H new ATOM 823 N PHE A 52 -15.524 -2.082 -1.664 1.00 22.44 N ATOM 824 CA PHE A 52 -15.378 -3.400 -1.081 1.00 71.43 C ATOM 825 C PHE A 52 -16.721 -3.876 -0.555 1.00 3.22 C ATOM 826 O PHE A 52 -17.344 -3.209 0.281 1.00 41.13 O ATOM 827 CB PHE A 52 -14.341 -3.421 0.042 1.00 21.54 C ATOM 828 CG PHE A 52 -13.951 -4.821 0.422 1.00 32.21 C ATOM 829 CD1 PHE A 52 -14.749 -5.573 1.269 1.00 75.03 C ATOM 830 CD2 PHE A 52 -12.798 -5.392 -0.087 1.00 64.13 C ATOM 831 CE1 PHE A 52 -14.402 -6.867 1.599 1.00 52.13 C ATOM 832 CE2 PHE A 52 -12.447 -6.686 0.238 1.00 12.21 C ATOM 833 CZ PHE A 52 -13.251 -7.424 1.081 1.00 55.34 C ATOM 0 H PHE A 52 -15.614 -1.322 -0.990 1.00 22.44 H new ATOM 0 HA PHE A 52 -15.024 -4.072 -1.863 1.00 71.43 H new ATOM 0 HB2 PHE A 52 -13.454 -2.871 -0.273 1.00 21.54 H new ATOM 0 HB3 PHE A 52 -14.742 -2.907 0.915 1.00 21.54 H new ATOM 0 HD1 PHE A 52 -15.652 -5.142 1.675 1.00 75.03 H new ATOM 0 HD2 PHE A 52 -12.165 -4.818 -0.747 1.00 64.13 H new ATOM 0 HE1 PHE A 52 -15.031 -7.443 2.262 1.00 52.13 H new ATOM 0 HE2 PHE A 52 -11.545 -7.120 -0.167 1.00 12.21 H new ATOM 0 HZ PHE A 52 -12.980 -8.438 1.336 1.00 55.34 H new ATOM 843 N PHE A 53 -17.146 -5.029 -1.047 1.00 65.40 N ATOM 844 CA PHE A 53 -18.430 -5.601 -0.689 1.00 25.42 C ATOM 845 C PHE A 53 -18.286 -6.631 0.417 1.00 22.44 C ATOM 846 O PHE A 53 -17.350 -7.431 0.426 1.00 45.51 O ATOM 847 CB PHE A 53 -19.082 -6.251 -1.907 1.00 70.41 C ATOM 848 CG PHE A 53 -20.182 -5.428 -2.497 1.00 73.43 C ATOM 849 CD1 PHE A 53 -19.918 -4.487 -3.475 1.00 71.03 C ATOM 850 CD2 PHE A 53 -21.483 -5.597 -2.066 1.00 61.23 C ATOM 851 CE1 PHE A 53 -20.938 -3.728 -4.012 1.00 4.11 C ATOM 852 CE2 PHE A 53 -22.507 -4.840 -2.599 1.00 41.43 C ATOM 853 CZ PHE A 53 -22.235 -3.904 -3.572 1.00 53.40 C ATOM 0 H PHE A 53 -16.609 -5.593 -1.706 1.00 65.40 H new ATOM 0 HA PHE A 53 -19.062 -4.790 -0.328 1.00 25.42 H new ATOM 0 HB2 PHE A 53 -18.321 -6.427 -2.667 1.00 70.41 H new ATOM 0 HB3 PHE A 53 -19.479 -7.225 -1.622 1.00 70.41 H new ATOM 0 HD1 PHE A 53 -18.905 -4.345 -3.822 1.00 71.03 H new ATOM 0 HD2 PHE A 53 -21.702 -6.330 -1.303 1.00 61.23 H new ATOM 0 HE1 PHE A 53 -20.722 -2.996 -4.776 1.00 4.11 H new ATOM 0 HE2 PHE A 53 -23.520 -4.982 -2.253 1.00 41.43 H new ATOM 0 HZ PHE A 53 -23.034 -3.309 -3.990 1.00 53.40 H new ATOM 863 N ARG A 54 -19.224 -6.603 1.345 1.00 20.00 N ATOM 864 CA ARG A 54 -19.254 -7.555 2.439 1.00 3.33 C ATOM 865 C ARG A 54 -20.707 -7.819 2.815 1.00 71.14 C ATOM 866 O ARG A 54 -21.368 -6.951 3.389 1.00 71.10 O ATOM 867 CB ARG A 54 -18.466 -6.993 3.628 1.00 13.22 C ATOM 868 CG ARG A 54 -17.738 -8.036 4.462 1.00 63.42 C ATOM 869 CD ARG A 54 -18.659 -8.733 5.448 1.00 5.53 C ATOM 870 NE ARG A 54 -17.938 -9.716 6.259 1.00 14.01 N ATOM 871 CZ ARG A 54 -17.854 -9.667 7.592 1.00 3.34 C ATOM 872 NH1 ARG A 54 -18.422 -8.679 8.258 1.00 45.00 N ATOM 873 NH2 ARG A 54 -17.183 -10.600 8.259 1.00 73.35 N ATOM 0 H ARG A 54 -19.984 -5.923 1.362 1.00 20.00 H new ATOM 0 HA ARG A 54 -18.790 -8.496 2.142 1.00 3.33 H new ATOM 0 HB2 ARG A 54 -17.737 -6.273 3.255 1.00 13.22 H new ATOM 0 HB3 ARG A 54 -19.152 -6.446 4.274 1.00 13.22 H new ATOM 0 HG2 ARG A 54 -17.289 -8.778 3.801 1.00 63.42 H new ATOM 0 HG3 ARG A 54 -16.923 -7.559 5.005 1.00 63.42 H new ATOM 0 HD2 ARG A 54 -19.122 -7.992 6.100 1.00 5.53 H new ATOM 0 HD3 ARG A 54 -19.465 -9.229 4.906 1.00 5.53 H new ATOM 0 HE ARG A 54 -17.472 -10.485 5.777 1.00 14.01 H new ATOM 0 HH11 ARG A 54 -18.927 -7.949 7.755 1.00 45.00 H new ATOM 0 HH12 ARG A 54 -18.356 -8.645 9.275 1.00 45.00 H new ATOM 0 HH21 ARG A 54 -16.728 -11.360 7.754 1.00 73.35 H new ATOM 0 HH22 ARG A 54 -17.123 -10.556 9.276 1.00 73.35 H new ATOM 887 N HIS A 55 -21.209 -8.999 2.445 1.00 22.53 N ATOM 888 CA HIS A 55 -22.622 -9.355 2.643 1.00 52.22 C ATOM 889 C HIS A 55 -23.555 -8.453 1.849 1.00 13.55 C ATOM 890 O HIS A 55 -24.723 -8.289 2.202 1.00 14.01 O ATOM 891 CB HIS A 55 -23.007 -9.309 4.117 1.00 4.12 C ATOM 892 CG HIS A 55 -22.717 -10.574 4.841 1.00 2.52 C ATOM 893 ND1 HIS A 55 -21.532 -11.108 5.224 1.00 22.41 N flip ATOM 894 CD2 HIS A 55 -23.689 -11.458 5.257 1.00 54.05 C flip ATOM 895 CE1 HIS A 55 -21.773 -12.308 5.868 1.00 61.12 C flip ATOM 896 NE2 HIS A 55 -23.078 -12.476 5.864 1.00 13.31 N flip ATOM 0 H HIS A 55 -20.655 -9.732 2.003 1.00 22.53 H new ATOM 0 HA HIS A 55 -22.734 -10.375 2.277 1.00 52.22 H new ATOM 0 HB2 HIS A 55 -22.471 -8.491 4.600 1.00 4.12 H new ATOM 0 HB3 HIS A 55 -24.071 -9.087 4.201 1.00 4.12 H new ATOM 0 HD2 HIS A 55 -24.754 -11.346 5.117 1.00 54.05 H new ATOM 0 HE1 HIS A 55 -21.036 -12.975 6.290 1.00 61.12 H new ATOM 0 HE2 HIS A 55 -23.558 -13.278 6.271 1.00 13.31 H new ATOM 904 N GLY A 56 -23.048 -7.890 0.768 1.00 22.24 N ATOM 905 CA GLY A 56 -23.856 -7.004 -0.042 1.00 13.21 C ATOM 906 C GLY A 56 -23.862 -5.589 0.491 1.00 44.22 C ATOM 907 O GLY A 56 -24.543 -4.717 -0.047 1.00 14.23 O ATOM 0 H GLY A 56 -22.094 -8.029 0.436 1.00 22.24 H new ATOM 0 HA2 GLY A 56 -23.478 -7.004 -1.064 1.00 13.21 H new ATOM 0 HA3 GLY A 56 -24.878 -7.380 -0.080 1.00 13.21 H new ATOM 911 N ASN A 57 -23.113 -5.362 1.558 1.00 43.35 N ATOM 912 CA ASN A 57 -22.959 -4.023 2.098 1.00 51.15 C ATOM 913 C ASN A 57 -21.650 -3.440 1.614 1.00 5.14 C ATOM 914 O ASN A 57 -20.822 -4.143 1.031 1.00 71.25 O ATOM 915 CB ASN A 57 -22.970 -4.014 3.631 1.00 41.33 C ATOM 916 CG ASN A 57 -24.124 -4.791 4.219 1.00 4.33 C ATOM 917 OD1 ASN A 57 -25.222 -4.270 4.405 1.00 0.51 O ATOM 918 ND2 ASN A 57 -23.865 -6.043 4.533 1.00 24.11 N ATOM 0 H ASN A 57 -22.604 -6.086 2.065 1.00 43.35 H new ATOM 0 HA ASN A 57 -23.804 -3.427 1.752 1.00 51.15 H new ATOM 0 HB2 ASN A 57 -22.033 -4.433 3.998 1.00 41.33 H new ATOM 0 HB3 ASN A 57 -23.017 -2.983 3.982 1.00 41.33 H new ATOM 0 HD21 ASN A 57 -24.592 -6.625 4.950 1.00 24.11 H new ATOM 0 HD22 ASN A 57 -22.938 -6.431 4.359 1.00 24.11 H new ATOM 925 N ILE A 58 -21.458 -2.169 1.879 1.00 65.13 N ATOM 926 CA ILE A 58 -20.247 -1.481 1.476 1.00 13.13 C ATOM 927 C ILE A 58 -19.386 -1.176 2.687 1.00 43.54 C ATOM 928 O ILE A 58 -19.780 -0.425 3.583 1.00 24.43 O ATOM 929 CB ILE A 58 -20.559 -0.182 0.701 1.00 62.25 C ATOM 930 CG1 ILE A 58 -21.119 -0.525 -0.680 1.00 1.34 C ATOM 931 CG2 ILE A 58 -19.319 0.696 0.574 1.00 3.33 C ATOM 932 CD1 ILE A 58 -20.113 -1.187 -1.596 1.00 74.11 C ATOM 0 H ILE A 58 -22.129 -1.584 2.376 1.00 65.13 H new ATOM 0 HA ILE A 58 -19.699 -2.143 0.806 1.00 13.13 H new ATOM 0 HB ILE A 58 -21.307 0.382 1.259 1.00 62.25 H new ATOM 0 HG12 ILE A 58 -21.978 -1.185 -0.560 1.00 1.34 H new ATOM 0 HG13 ILE A 58 -21.482 0.388 -1.152 1.00 1.34 H new ATOM 0 HG21 ILE A 58 -19.570 1.603 0.024 1.00 3.33 H new ATOM 0 HG22 ILE A 58 -18.959 0.962 1.568 1.00 3.33 H new ATOM 0 HG23 ILE A 58 -18.541 0.151 0.040 1.00 3.33 H new ATOM 0 HD11 ILE A 58 -20.581 -1.401 -2.557 1.00 74.11 H new ATOM 0 HD12 ILE A 58 -19.264 -0.520 -1.747 1.00 74.11 H new ATOM 0 HD13 ILE A 58 -19.768 -2.118 -1.145 1.00 74.11 H new ATOM 944 N VAL A 59 -18.223 -1.791 2.715 1.00 34.42 N ATOM 945 CA VAL A 59 -17.269 -1.568 3.784 1.00 70.05 C ATOM 946 C VAL A 59 -16.248 -0.522 3.360 1.00 12.51 C ATOM 947 O VAL A 59 -15.830 0.318 4.155 1.00 11.32 O ATOM 948 CB VAL A 59 -16.548 -2.873 4.176 1.00 72.02 C ATOM 949 CG1 VAL A 59 -15.452 -2.603 5.190 1.00 74.44 C ATOM 950 CG2 VAL A 59 -17.534 -3.889 4.729 1.00 54.05 C ATOM 0 H VAL A 59 -17.913 -2.454 2.005 1.00 34.42 H new ATOM 0 HA VAL A 59 -17.819 -1.210 4.655 1.00 70.05 H new ATOM 0 HB VAL A 59 -16.092 -3.285 3.276 1.00 72.02 H new ATOM 0 HG11 VAL A 59 -14.958 -3.539 5.450 1.00 74.44 H new ATOM 0 HG12 VAL A 59 -14.723 -1.915 4.763 1.00 74.44 H new ATOM 0 HG13 VAL A 59 -15.887 -2.160 6.086 1.00 74.44 H new ATOM 0 HG21 VAL A 59 -17.003 -4.802 4.999 1.00 54.05 H new ATOM 0 HG22 VAL A 59 -18.022 -3.478 5.613 1.00 54.05 H new ATOM 0 HG23 VAL A 59 -18.285 -4.116 3.972 1.00 54.05 H new ATOM 960 N ALA A 60 -15.869 -0.563 2.093 1.00 63.03 N ATOM 961 CA ALA A 60 -14.908 0.390 1.568 1.00 43.42 C ATOM 962 C ALA A 60 -15.413 1.009 0.279 1.00 44.23 C ATOM 963 O ALA A 60 -16.114 0.358 -0.494 1.00 43.04 O ATOM 964 CB ALA A 60 -13.562 -0.278 1.338 1.00 24.35 C ATOM 0 H ALA A 60 -16.211 -1.242 1.413 1.00 63.03 H new ATOM 0 HA ALA A 60 -14.782 1.183 2.305 1.00 43.42 H new ATOM 0 HB1 ALA A 60 -12.856 0.453 0.944 1.00 24.35 H new ATOM 0 HB2 ALA A 60 -13.186 -0.674 2.281 1.00 24.35 H new ATOM 0 HB3 ALA A 60 -13.678 -1.093 0.623 1.00 24.35 H new ATOM 970 N TYR A 61 -15.060 2.265 0.060 1.00 23.21 N ATOM 971 CA TYR A 61 -15.433 2.965 -1.155 1.00 52.11 C ATOM 972 C TYR A 61 -14.341 3.965 -1.509 1.00 35.02 C ATOM 973 O TYR A 61 -13.834 4.666 -0.635 1.00 21.40 O ATOM 974 CB TYR A 61 -16.775 3.681 -0.968 1.00 52.24 C ATOM 975 CG TYR A 61 -17.426 4.111 -2.263 1.00 23.14 C ATOM 976 CD1 TYR A 61 -17.119 5.331 -2.853 1.00 71.25 C ATOM 977 CD2 TYR A 61 -18.345 3.290 -2.897 1.00 74.11 C ATOM 978 CE1 TYR A 61 -17.711 5.717 -4.041 1.00 11.24 C ATOM 979 CE2 TYR A 61 -18.940 3.667 -4.084 1.00 13.32 C ATOM 980 CZ TYR A 61 -18.620 4.879 -4.652 1.00 73.23 C ATOM 981 OH TYR A 61 -19.218 5.256 -5.834 1.00 72.33 O ATOM 0 H TYR A 61 -14.511 2.823 0.714 1.00 23.21 H new ATOM 0 HA TYR A 61 -15.543 2.247 -1.968 1.00 52.11 H new ATOM 0 HB2 TYR A 61 -17.456 3.020 -0.432 1.00 52.24 H new ATOM 0 HB3 TYR A 61 -16.623 4.559 -0.340 1.00 52.24 H new ATOM 0 HD1 TYR A 61 -16.407 5.988 -2.376 1.00 71.25 H new ATOM 0 HD2 TYR A 61 -18.600 2.338 -2.454 1.00 74.11 H new ATOM 0 HE1 TYR A 61 -17.463 6.669 -4.488 1.00 11.24 H new ATOM 0 HE2 TYR A 61 -19.653 3.014 -4.565 1.00 13.32 H new ATOM 0 HH TYR A 61 -19.831 4.551 -6.130 1.00 72.33 H new ATOM 991 N GLY A 62 -13.965 4.002 -2.775 1.00 0.42 N ATOM 992 CA GLY A 62 -12.932 4.911 -3.223 1.00 34.21 C ATOM 993 C GLY A 62 -13.033 5.187 -4.705 1.00 42.45 C ATOM 994 O GLY A 62 -12.680 4.344 -5.525 1.00 14.12 O ATOM 0 H GLY A 62 -14.360 3.413 -3.508 1.00 0.42 H new ATOM 0 HA2 GLY A 62 -13.009 5.849 -2.672 1.00 34.21 H new ATOM 0 HA3 GLY A 62 -11.953 4.488 -2.998 1.00 34.21 H new ATOM 998 N LYS A 63 -13.537 6.359 -5.052 1.00 61.41 N ATOM 999 CA LYS A 63 -13.709 6.730 -6.442 1.00 24.02 C ATOM 1000 C LYS A 63 -12.626 7.709 -6.875 1.00 70.11 C ATOM 1001 O LYS A 63 -12.460 8.775 -6.277 1.00 3.43 O ATOM 1002 CB LYS A 63 -15.089 7.347 -6.639 1.00 44.10 C ATOM 1003 CG LYS A 63 -15.410 7.705 -8.079 1.00 41.12 C ATOM 1004 CD LYS A 63 -16.820 8.246 -8.189 1.00 12.13 C ATOM 1005 CE LYS A 63 -17.834 7.203 -7.751 1.00 43.41 C ATOM 1006 NZ LYS A 63 -19.193 7.773 -7.574 1.00 24.52 N ATOM 0 H LYS A 63 -13.835 7.071 -4.385 1.00 61.41 H new ATOM 0 HA LYS A 63 -13.624 5.835 -7.059 1.00 24.02 H new ATOM 0 HB2 LYS A 63 -15.842 6.649 -6.273 1.00 44.10 H new ATOM 0 HB3 LYS A 63 -15.163 8.246 -6.027 1.00 44.10 H new ATOM 0 HG2 LYS A 63 -14.700 8.448 -8.442 1.00 41.12 H new ATOM 0 HG3 LYS A 63 -15.302 6.824 -8.712 1.00 41.12 H new ATOM 0 HD2 LYS A 63 -16.921 9.139 -7.572 1.00 12.13 H new ATOM 0 HD3 LYS A 63 -17.020 8.545 -9.218 1.00 12.13 H new ATOM 0 HE2 LYS A 63 -17.872 6.404 -8.491 1.00 43.41 H new ATOM 0 HE3 LYS A 63 -17.507 6.754 -6.813 1.00 43.41 H new ATOM 0 HZ1 LYS A 63 -19.736 7.179 -6.915 1.00 24.52 H new ATOM 0 HZ2 LYS A 63 -19.118 8.736 -7.189 1.00 24.52 H new ATOM 0 HZ3 LYS A 63 -19.679 7.804 -8.493 1.00 24.52 H new ATOM 1020 N SER A 64 -11.881 7.336 -7.903 1.00 14.13 N ATOM 1021 CA SER A 64 -10.846 8.194 -8.454 1.00 24.35 C ATOM 1022 C SER A 64 -10.726 7.986 -9.954 1.00 1.33 C ATOM 1023 O SER A 64 -11.158 6.962 -10.484 1.00 33.52 O ATOM 1024 CB SER A 64 -9.504 7.911 -7.783 1.00 52.44 C ATOM 1025 OG SER A 64 -9.586 8.103 -6.383 1.00 0.41 O ATOM 0 H SER A 64 -11.976 6.437 -8.376 1.00 14.13 H new ATOM 0 HA SER A 64 -11.125 9.230 -8.262 1.00 24.35 H new ATOM 0 HB2 SER A 64 -9.196 6.887 -7.996 1.00 52.44 H new ATOM 0 HB3 SER A 64 -8.740 8.567 -8.199 1.00 52.44 H new ATOM 0 HG SER A 64 -9.841 9.030 -6.194 1.00 0.41 H new ATOM 1031 N ARG A 65 -10.145 8.961 -10.630 1.00 74.44 N ATOM 1032 CA ARG A 65 -9.924 8.871 -12.064 1.00 21.43 C ATOM 1033 C ARG A 65 -8.768 7.915 -12.353 1.00 12.11 C ATOM 1034 O ARG A 65 -8.615 7.406 -13.467 1.00 13.42 O ATOM 1035 CB ARG A 65 -9.656 10.271 -12.634 1.00 10.30 C ATOM 1036 CG ARG A 65 -9.331 10.293 -14.117 1.00 71.42 C ATOM 1037 CD ARG A 65 -9.500 11.684 -14.707 1.00 53.05 C ATOM 1038 NE ARG A 65 -8.825 12.715 -13.921 1.00 64.10 N ATOM 1039 CZ ARG A 65 -8.708 13.984 -14.307 1.00 34.23 C ATOM 1040 NH1 ARG A 65 -9.167 14.363 -15.496 1.00 35.23 N ATOM 1041 NH2 ARG A 65 -8.144 14.872 -13.497 1.00 71.03 N ATOM 0 H ARG A 65 -9.816 9.829 -10.207 1.00 74.44 H new ATOM 0 HA ARG A 65 -10.814 8.473 -12.551 1.00 21.43 H new ATOM 0 HB2 ARG A 65 -10.532 10.896 -12.457 1.00 10.30 H new ATOM 0 HB3 ARG A 65 -8.828 10.721 -12.086 1.00 10.30 H new ATOM 0 HG2 ARG A 65 -8.306 9.954 -14.270 1.00 71.42 H new ATOM 0 HG3 ARG A 65 -9.980 9.593 -14.643 1.00 71.42 H new ATOM 0 HD2 ARG A 65 -9.108 11.693 -15.724 1.00 53.05 H new ATOM 0 HD3 ARG A 65 -10.562 11.920 -14.773 1.00 53.05 H new ATOM 0 HE ARG A 65 -8.420 12.447 -13.024 1.00 64.10 H new ATOM 0 HH11 ARG A 65 -9.609 13.682 -16.113 1.00 35.23 H new ATOM 0 HH12 ARG A 65 -9.077 15.335 -15.791 1.00 35.23 H new ATOM 0 HH21 ARG A 65 -7.801 14.582 -12.581 1.00 71.03 H new ATOM 0 HH22 ARG A 65 -8.053 15.845 -13.791 1.00 71.03 H new ATOM 1055 N LYS A 66 -7.967 7.659 -11.327 1.00 41.05 N ATOM 1056 CA LYS A 66 -6.875 6.708 -11.426 1.00 75.44 C ATOM 1057 C LYS A 66 -7.186 5.474 -10.588 1.00 33.43 C ATOM 1058 O LYS A 66 -7.523 5.590 -9.409 1.00 30.15 O ATOM 1059 CB LYS A 66 -5.568 7.353 -10.962 1.00 52.02 C ATOM 1060 CG LYS A 66 -5.192 8.596 -11.755 1.00 72.22 C ATOM 1061 CD LYS A 66 -4.927 8.273 -13.219 1.00 72.43 C ATOM 1062 CE LYS A 66 -3.642 7.480 -13.401 1.00 64.23 C ATOM 1063 NZ LYS A 66 -2.446 8.262 -12.985 1.00 5.34 N ATOM 0 H LYS A 66 -8.057 8.101 -10.412 1.00 41.05 H new ATOM 0 HA LYS A 66 -6.760 6.406 -12.467 1.00 75.44 H new ATOM 0 HB2 LYS A 66 -5.656 7.616 -9.908 1.00 52.02 H new ATOM 0 HB3 LYS A 66 -4.763 6.623 -11.042 1.00 52.02 H new ATOM 0 HG2 LYS A 66 -5.995 9.329 -11.684 1.00 72.22 H new ATOM 0 HG3 LYS A 66 -4.304 9.052 -11.317 1.00 72.22 H new ATOM 0 HD2 LYS A 66 -5.765 7.704 -13.623 1.00 72.43 H new ATOM 0 HD3 LYS A 66 -4.866 9.199 -13.790 1.00 72.43 H new ATOM 0 HE2 LYS A 66 -3.696 6.561 -12.817 1.00 64.23 H new ATOM 0 HE3 LYS A 66 -3.540 7.188 -14.446 1.00 64.23 H new ATOM 0 HZ1 LYS A 66 -1.590 7.823 -13.380 1.00 5.34 H new ATOM 0 HZ2 LYS A 66 -2.529 9.237 -13.337 1.00 5.34 H new ATOM 0 HZ3 LYS A 66 -2.382 8.273 -11.947 1.00 5.34 H new ATOM 1077 N VAL A 67 -7.086 4.303 -11.213 1.00 35.22 N ATOM 1078 CA VAL A 67 -7.347 3.029 -10.543 1.00 63.42 C ATOM 1079 C VAL A 67 -6.525 2.896 -9.262 1.00 74.11 C ATOM 1080 O VAL A 67 -7.035 2.455 -8.234 1.00 1.32 O ATOM 1081 CB VAL A 67 -7.055 1.834 -11.492 1.00 11.25 C ATOM 1082 CG1 VAL A 67 -5.691 1.965 -12.126 1.00 71.24 C ATOM 1083 CG2 VAL A 67 -7.165 0.494 -10.778 1.00 63.45 C ATOM 0 H VAL A 67 -6.823 4.209 -12.194 1.00 35.22 H new ATOM 0 HA VAL A 67 -8.403 3.012 -10.274 1.00 63.42 H new ATOM 0 HB VAL A 67 -7.816 1.863 -12.272 1.00 11.25 H new ATOM 0 HG11 VAL A 67 -5.513 1.115 -12.785 1.00 71.24 H new ATOM 0 HG12 VAL A 67 -5.645 2.888 -12.704 1.00 71.24 H new ATOM 0 HG13 VAL A 67 -4.928 1.986 -11.347 1.00 71.24 H new ATOM 0 HG21 VAL A 67 -6.953 -0.311 -11.481 1.00 63.45 H new ATOM 0 HG22 VAL A 67 -6.448 0.459 -9.958 1.00 63.45 H new ATOM 0 HG23 VAL A 67 -8.174 0.374 -10.383 1.00 63.45 H new ATOM 1093 N ALA A 68 -5.265 3.309 -9.329 1.00 71.32 N ATOM 1094 CA ALA A 68 -4.365 3.231 -8.188 1.00 54.11 C ATOM 1095 C ALA A 68 -4.894 4.025 -6.996 1.00 70.14 C ATOM 1096 O ALA A 68 -4.959 3.510 -5.880 1.00 24.51 O ATOM 1097 CB ALA A 68 -2.985 3.728 -8.583 1.00 63.41 C ATOM 0 H ALA A 68 -4.842 3.704 -10.169 1.00 71.32 H new ATOM 0 HA ALA A 68 -4.300 2.187 -7.883 1.00 54.11 H new ATOM 0 HB1 ALA A 68 -2.317 3.667 -7.724 1.00 63.41 H new ATOM 0 HB2 ALA A 68 -2.594 3.111 -9.392 1.00 63.41 H new ATOM 0 HB3 ALA A 68 -3.053 4.763 -8.917 1.00 63.41 H new ATOM 1103 N ASN A 69 -5.289 5.272 -7.241 1.00 62.03 N ATOM 1104 CA ASN A 69 -5.771 6.146 -6.173 1.00 44.41 C ATOM 1105 C ASN A 69 -7.104 5.640 -5.633 1.00 53.41 C ATOM 1106 O ASN A 69 -7.347 5.671 -4.429 1.00 31.41 O ATOM 1107 CB ASN A 69 -5.925 7.587 -6.675 1.00 50.23 C ATOM 1108 CG ASN A 69 -6.029 8.587 -5.536 1.00 12.12 C ATOM 1109 OD1 ASN A 69 -5.017 9.078 -5.031 1.00 23.45 O ATOM 1110 ND2 ASN A 69 -7.247 8.914 -5.134 1.00 42.23 N ATOM 0 H ASN A 69 -5.285 5.700 -8.167 1.00 62.03 H new ATOM 0 HA ASN A 69 -5.035 6.135 -5.369 1.00 44.41 H new ATOM 0 HB2 ASN A 69 -5.072 7.843 -7.304 1.00 50.23 H new ATOM 0 HB3 ASN A 69 -6.815 7.658 -7.300 1.00 50.23 H new ATOM 0 HD21 ASN A 69 -7.371 9.593 -4.383 1.00 42.23 H new ATOM 0 HD22 ASN A 69 -8.061 8.487 -5.575 1.00 42.23 H new ATOM 1117 N ALA A 70 -7.958 5.169 -6.536 1.00 50.12 N ATOM 1118 CA ALA A 70 -9.256 4.621 -6.162 1.00 61.32 C ATOM 1119 C ALA A 70 -9.094 3.428 -5.226 1.00 22.52 C ATOM 1120 O ALA A 70 -9.755 3.340 -4.187 1.00 54.02 O ATOM 1121 CB ALA A 70 -10.032 4.218 -7.405 1.00 42.23 C ATOM 0 H ALA A 70 -7.772 5.156 -7.539 1.00 50.12 H new ATOM 0 HA ALA A 70 -9.815 5.393 -5.633 1.00 61.32 H new ATOM 0 HB1 ALA A 70 -11.000 3.810 -7.113 1.00 42.23 H new ATOM 0 HB2 ALA A 70 -10.183 5.092 -8.039 1.00 42.23 H new ATOM 0 HB3 ALA A 70 -9.471 3.463 -7.955 1.00 42.23 H new ATOM 1127 N LYS A 71 -8.197 2.517 -5.597 1.00 10.42 N ATOM 1128 CA LYS A 71 -7.892 1.361 -4.767 1.00 72.12 C ATOM 1129 C LYS A 71 -7.329 1.811 -3.438 1.00 22.34 C ATOM 1130 O LYS A 71 -7.667 1.267 -2.392 1.00 31.53 O ATOM 1131 CB LYS A 71 -6.878 0.449 -5.455 1.00 23.51 C ATOM 1132 CG LYS A 71 -7.393 -0.159 -6.729 1.00 64.32 C ATOM 1133 CD LYS A 71 -6.383 -1.098 -7.368 1.00 45.43 C ATOM 1134 CE LYS A 71 -5.101 -0.379 -7.750 1.00 31.02 C ATOM 1135 NZ LYS A 71 -4.114 -1.301 -8.373 1.00 73.33 N ATOM 0 H LYS A 71 -7.670 2.560 -6.469 1.00 10.42 H new ATOM 0 HA LYS A 71 -8.817 0.807 -4.608 1.00 72.12 H new ATOM 0 HB2 LYS A 71 -5.975 1.020 -5.672 1.00 23.51 H new ATOM 0 HB3 LYS A 71 -6.593 -0.349 -4.769 1.00 23.51 H new ATOM 0 HG2 LYS A 71 -8.314 -0.705 -6.523 1.00 64.32 H new ATOM 0 HG3 LYS A 71 -7.644 0.635 -7.433 1.00 64.32 H new ATOM 0 HD2 LYS A 71 -6.152 -1.908 -6.676 1.00 45.43 H new ATOM 0 HD3 LYS A 71 -6.822 -1.553 -8.256 1.00 45.43 H new ATOM 0 HE2 LYS A 71 -5.331 0.430 -8.444 1.00 31.02 H new ATOM 0 HE3 LYS A 71 -4.662 0.077 -6.863 1.00 31.02 H new ATOM 0 HZ1 LYS A 71 -3.253 -0.773 -8.619 1.00 73.33 H new ATOM 0 HZ2 LYS A 71 -3.875 -2.059 -7.702 1.00 73.33 H new ATOM 0 HZ3 LYS A 71 -4.523 -1.717 -9.234 1.00 73.33 H new ATOM 1149 N TYR A 72 -6.481 2.822 -3.498 1.00 4.44 N ATOM 1150 CA TYR A 72 -5.817 3.336 -2.320 1.00 1.51 C ATOM 1151 C TYR A 72 -6.832 3.747 -1.255 1.00 42.40 C ATOM 1152 O TYR A 72 -6.727 3.350 -0.094 1.00 13.55 O ATOM 1153 CB TYR A 72 -4.924 4.521 -2.713 1.00 51.32 C ATOM 1154 CG TYR A 72 -4.663 5.520 -1.605 1.00 52.42 C ATOM 1155 CD1 TYR A 72 -3.883 5.195 -0.501 1.00 31.53 C ATOM 1156 CD2 TYR A 72 -5.204 6.796 -1.675 1.00 75.11 C ATOM 1157 CE1 TYR A 72 -3.654 6.119 0.503 1.00 10.22 C ATOM 1158 CE2 TYR A 72 -4.978 7.721 -0.681 1.00 12.53 C ATOM 1159 CZ TYR A 72 -4.203 7.381 0.405 1.00 60.10 C ATOM 1160 OH TYR A 72 -3.984 8.309 1.396 1.00 14.24 O ATOM 0 H TYR A 72 -6.236 3.306 -4.362 1.00 4.44 H new ATOM 0 HA TYR A 72 -5.196 2.549 -1.892 1.00 1.51 H new ATOM 0 HB2 TYR A 72 -3.968 4.135 -3.066 1.00 51.32 H new ATOM 0 HB3 TYR A 72 -5.386 5.043 -3.551 1.00 51.32 H new ATOM 0 HD1 TYR A 72 -3.450 4.208 -0.426 1.00 31.53 H new ATOM 0 HD2 TYR A 72 -5.813 7.068 -2.524 1.00 75.11 H new ATOM 0 HE1 TYR A 72 -3.049 5.854 1.358 1.00 10.22 H new ATOM 0 HE2 TYR A 72 -5.407 8.710 -0.753 1.00 12.53 H new ATOM 0 HH TYR A 72 -4.442 9.145 1.168 1.00 14.24 H new ATOM 1170 N ILE A 73 -7.819 4.526 -1.672 1.00 45.32 N ATOM 1171 CA ILE A 73 -8.844 5.032 -0.770 1.00 52.10 C ATOM 1172 C ILE A 73 -9.617 3.898 -0.110 1.00 55.24 C ATOM 1173 O ILE A 73 -9.697 3.824 1.118 1.00 32.15 O ATOM 1174 CB ILE A 73 -9.828 5.940 -1.521 1.00 15.30 C ATOM 1175 CG1 ILE A 73 -9.077 7.132 -2.103 1.00 54.21 C ATOM 1176 CG2 ILE A 73 -10.948 6.399 -0.595 1.00 1.24 C ATOM 1177 CD1 ILE A 73 -9.782 7.769 -3.270 1.00 52.15 C ATOM 0 H ILE A 73 -7.932 4.824 -2.641 1.00 45.32 H new ATOM 0 HA ILE A 73 -8.334 5.606 0.004 1.00 52.10 H new ATOM 0 HB ILE A 73 -10.283 5.379 -2.337 1.00 15.30 H new ATOM 0 HG12 ILE A 73 -8.934 7.879 -1.322 1.00 54.21 H new ATOM 0 HG13 ILE A 73 -8.085 6.808 -2.419 1.00 54.21 H new ATOM 0 HG21 ILE A 73 -11.635 7.042 -1.146 1.00 1.24 H new ATOM 0 HG22 ILE A 73 -11.487 5.530 -0.218 1.00 1.24 H new ATOM 0 HG23 ILE A 73 -10.524 6.954 0.242 1.00 1.24 H new ATOM 0 HD11 ILE A 73 -9.193 8.610 -3.636 1.00 52.15 H new ATOM 0 HD12 ILE A 73 -9.901 7.036 -4.068 1.00 52.15 H new ATOM 0 HD13 ILE A 73 -10.763 8.123 -2.953 1.00 52.15 H new ATOM 1189 N MET A 74 -10.173 3.007 -0.926 1.00 50.03 N ATOM 1190 CA MET A 74 -10.982 1.913 -0.404 1.00 73.02 C ATOM 1191 C MET A 74 -10.154 1.019 0.520 1.00 3.20 C ATOM 1192 O MET A 74 -10.640 0.577 1.560 1.00 63.34 O ATOM 1193 CB MET A 74 -11.600 1.079 -1.533 1.00 24.20 C ATOM 1194 CG MET A 74 -10.586 0.329 -2.362 1.00 75.25 C ATOM 1195 SD MET A 74 -11.308 -1.044 -3.267 1.00 41.42 S ATOM 1196 CE MET A 74 -9.928 -2.172 -3.209 1.00 34.22 C ATOM 0 H MET A 74 -10.079 3.021 -1.942 1.00 50.03 H new ATOM 0 HA MET A 74 -11.795 2.356 0.171 1.00 73.02 H new ATOM 0 HB2 MET A 74 -12.302 0.365 -1.102 1.00 24.20 H new ATOM 0 HB3 MET A 74 -12.174 1.737 -2.186 1.00 24.20 H new ATOM 0 HG2 MET A 74 -10.119 1.017 -3.066 1.00 75.25 H new ATOM 0 HG3 MET A 74 -9.796 -0.046 -1.711 1.00 75.25 H new ATOM 0 HE1 MET A 74 -10.112 -3.007 -3.885 1.00 34.22 H new ATOM 0 HE2 MET A 74 -9.020 -1.652 -3.514 1.00 34.22 H new ATOM 0 HE3 MET A 74 -9.807 -2.547 -2.193 1.00 34.22 H new ATOM 1206 N LYS A 75 -8.899 0.773 0.156 1.00 51.43 N ATOM 1207 CA LYS A 75 -8.029 -0.058 0.970 1.00 20.41 C ATOM 1208 C LYS A 75 -7.844 0.536 2.362 1.00 21.41 C ATOM 1209 O LYS A 75 -7.956 -0.173 3.358 1.00 54.20 O ATOM 1210 CB LYS A 75 -6.680 -0.248 0.281 1.00 44.21 C ATOM 1211 CG LYS A 75 -6.751 -1.171 -0.926 1.00 12.24 C ATOM 1212 CD LYS A 75 -5.477 -1.117 -1.742 1.00 11.04 C ATOM 1213 CE LYS A 75 -5.566 -1.996 -2.983 1.00 44.50 C ATOM 1214 NZ LYS A 75 -5.639 -3.449 -2.665 1.00 12.43 N ATOM 0 H LYS A 75 -8.467 1.137 -0.693 1.00 51.43 H new ATOM 0 HA LYS A 75 -8.502 -1.033 1.085 1.00 20.41 H new ATOM 0 HB2 LYS A 75 -6.300 0.724 -0.034 1.00 44.21 H new ATOM 0 HB3 LYS A 75 -5.966 -0.652 0.999 1.00 44.21 H new ATOM 0 HG2 LYS A 75 -6.928 -2.194 -0.593 1.00 12.24 H new ATOM 0 HG3 LYS A 75 -7.597 -0.889 -1.552 1.00 12.24 H new ATOM 0 HD2 LYS A 75 -5.278 -0.087 -2.039 1.00 11.04 H new ATOM 0 HD3 LYS A 75 -4.637 -1.439 -1.127 1.00 11.04 H new ATOM 0 HE2 LYS A 75 -6.446 -1.712 -3.560 1.00 44.50 H new ATOM 0 HE3 LYS A 75 -4.697 -1.812 -3.615 1.00 44.50 H new ATOM 0 HZ1 LYS A 75 -5.561 -4.001 -3.543 1.00 12.43 H new ATOM 0 HZ2 LYS A 75 -4.859 -3.704 -2.026 1.00 12.43 H new ATOM 0 HZ3 LYS A 75 -6.547 -3.658 -2.204 1.00 12.43 H new ATOM 1228 N GLN A 76 -7.599 1.841 2.426 1.00 1.15 N ATOM 1229 CA GLN A 76 -7.412 2.529 3.705 1.00 3.23 C ATOM 1230 C GLN A 76 -8.666 2.434 4.571 1.00 43.44 C ATOM 1231 O GLN A 76 -8.590 2.504 5.798 1.00 3.43 O ATOM 1232 CB GLN A 76 -7.050 3.998 3.482 1.00 14.53 C ATOM 1233 CG GLN A 76 -5.749 4.199 2.723 1.00 30.13 C ATOM 1234 CD GLN A 76 -4.559 3.540 3.396 1.00 23.31 C ATOM 1235 OE1 GLN A 76 -4.233 2.386 3.118 1.00 60.13 O ATOM 1236 NE2 GLN A 76 -3.898 4.269 4.281 1.00 12.14 N ATOM 0 H GLN A 76 -7.525 2.446 1.608 1.00 1.15 H new ATOM 0 HA GLN A 76 -6.592 2.035 4.226 1.00 3.23 H new ATOM 0 HB2 GLN A 76 -7.858 4.483 2.934 1.00 14.53 H new ATOM 0 HB3 GLN A 76 -6.977 4.496 4.449 1.00 14.53 H new ATOM 0 HG2 GLN A 76 -5.857 3.797 1.716 1.00 30.13 H new ATOM 0 HG3 GLN A 76 -5.556 5.267 2.621 1.00 30.13 H new ATOM 0 HE21 GLN A 76 -4.200 5.222 4.484 1.00 12.14 H new ATOM 0 HE22 GLN A 76 -3.087 3.878 4.760 1.00 12.14 H new ATOM 1245 N ARG A 77 -9.817 2.272 3.926 1.00 42.23 N ATOM 1246 CA ARG A 77 -11.082 2.142 4.638 1.00 3.32 C ATOM 1247 C ARG A 77 -11.078 0.898 5.521 1.00 4.22 C ATOM 1248 O ARG A 77 -11.181 1.005 6.743 1.00 70.55 O ATOM 1249 CB ARG A 77 -12.250 2.081 3.655 1.00 54.04 C ATOM 1250 CG ARG A 77 -12.403 3.325 2.787 1.00 5.23 C ATOM 1251 CD ARG A 77 -12.990 4.502 3.555 1.00 14.23 C ATOM 1252 NE ARG A 77 -12.104 4.986 4.616 1.00 54.42 N ATOM 1253 CZ ARG A 77 -12.441 5.950 5.472 1.00 23.32 C ATOM 1254 NH1 ARG A 77 -13.639 6.514 5.392 1.00 11.24 N ATOM 1255 NH2 ARG A 77 -11.589 6.346 6.413 1.00 24.35 N ATOM 0 H ARG A 77 -9.899 2.228 2.910 1.00 42.23 H new ATOM 0 HA ARG A 77 -11.204 3.020 5.272 1.00 3.32 H new ATOM 0 HB2 ARG A 77 -12.120 1.214 3.008 1.00 54.04 H new ATOM 0 HB3 ARG A 77 -13.173 1.926 4.214 1.00 54.04 H new ATOM 0 HG2 ARG A 77 -11.429 3.606 2.386 1.00 5.23 H new ATOM 0 HG3 ARG A 77 -13.044 3.094 1.936 1.00 5.23 H new ATOM 0 HD2 ARG A 77 -13.196 5.316 2.861 1.00 14.23 H new ATOM 0 HD3 ARG A 77 -13.944 4.206 3.991 1.00 14.23 H new ATOM 0 HE ARG A 77 -11.180 4.563 4.704 1.00 54.42 H new ATOM 0 HH11 ARG A 77 -14.299 6.209 4.677 1.00 11.24 H new ATOM 0 HH12 ARG A 77 -13.900 7.252 6.046 1.00 11.24 H new ATOM 0 HH21 ARG A 77 -10.669 5.911 6.484 1.00 24.35 H new ATOM 0 HH22 ARG A 77 -11.855 7.085 7.064 1.00 24.35 H new ATOM 1269 N LEU A 78 -10.947 -0.281 4.909 1.00 42.13 N ATOM 1270 CA LEU A 78 -10.907 -1.522 5.684 1.00 51.52 C ATOM 1271 C LEU A 78 -9.650 -1.573 6.537 1.00 43.30 C ATOM 1272 O LEU A 78 -9.661 -2.118 7.638 1.00 74.31 O ATOM 1273 CB LEU A 78 -10.934 -2.759 4.793 1.00 15.11 C ATOM 1274 CG LEU A 78 -11.711 -2.623 3.491 1.00 11.32 C ATOM 1275 CD1 LEU A 78 -10.761 -2.419 2.322 1.00 43.55 C ATOM 1276 CD2 LEU A 78 -12.570 -3.847 3.270 1.00 23.42 C ATOM 0 H LEU A 78 -10.868 -0.402 3.899 1.00 42.13 H new ATOM 0 HA LEU A 78 -11.797 -1.525 6.313 1.00 51.52 H new ATOM 0 HB2 LEU A 78 -9.907 -3.033 4.554 1.00 15.11 H new ATOM 0 HB3 LEU A 78 -11.360 -3.585 5.363 1.00 15.11 H new ATOM 0 HG LEU A 78 -12.359 -1.749 3.560 1.00 11.32 H new ATOM 0 HD11 LEU A 78 -11.334 -2.324 1.400 1.00 43.55 H new ATOM 0 HD12 LEU A 78 -10.177 -1.513 2.482 1.00 43.55 H new ATOM 0 HD13 LEU A 78 -10.090 -3.274 2.245 1.00 43.55 H new ATOM 0 HD21 LEU A 78 -13.122 -3.740 2.336 1.00 23.42 H new ATOM 0 HD22 LEU A 78 -11.936 -4.732 3.218 1.00 23.42 H new ATOM 0 HD23 LEU A 78 -13.273 -3.953 4.097 1.00 23.42 H new ATOM 1288 N LEU A 79 -8.569 -1.005 6.008 1.00 3.02 N ATOM 1289 CA LEU A 79 -7.292 -0.946 6.709 1.00 32.54 C ATOM 1290 C LEU A 79 -7.486 -0.372 8.108 1.00 15.22 C ATOM 1291 O LEU A 79 -7.075 -0.974 9.097 1.00 22.20 O ATOM 1292 CB LEU A 79 -6.295 -0.106 5.885 1.00 23.24 C ATOM 1293 CG LEU A 79 -4.850 -0.027 6.400 1.00 34.44 C ATOM 1294 CD1 LEU A 79 -4.712 1.031 7.484 1.00 24.01 C ATOM 1295 CD2 LEU A 79 -4.381 -1.382 6.910 1.00 71.53 C ATOM 0 H LEU A 79 -8.555 -0.574 5.084 1.00 3.02 H new ATOM 0 HA LEU A 79 -6.885 -1.951 6.820 1.00 32.54 H new ATOM 0 HB2 LEU A 79 -6.271 -0.508 4.872 1.00 23.24 H new ATOM 0 HB3 LEU A 79 -6.685 0.909 5.816 1.00 23.24 H new ATOM 0 HG LEU A 79 -4.214 0.262 5.563 1.00 34.44 H new ATOM 0 HD11 LEU A 79 -3.679 1.065 7.830 1.00 24.01 H new ATOM 0 HD12 LEU A 79 -4.992 2.004 7.080 1.00 24.01 H new ATOM 0 HD13 LEU A 79 -5.367 0.783 8.320 1.00 24.01 H new ATOM 0 HD21 LEU A 79 -3.355 -1.300 7.269 1.00 71.53 H new ATOM 0 HD22 LEU A 79 -5.026 -1.707 7.726 1.00 71.53 H new ATOM 0 HD23 LEU A 79 -4.425 -2.111 6.100 1.00 71.53 H new ATOM 1307 N LYS A 80 -8.155 0.767 8.189 1.00 34.43 N ATOM 1308 CA LYS A 80 -8.408 1.403 9.473 1.00 53.20 C ATOM 1309 C LYS A 80 -9.352 0.570 10.323 1.00 3.42 C ATOM 1310 O LYS A 80 -9.305 0.625 11.548 1.00 22.24 O ATOM 1311 CB LYS A 80 -8.981 2.808 9.297 1.00 72.22 C ATOM 1312 CG LYS A 80 -7.942 3.911 9.422 1.00 10.32 C ATOM 1313 CD LYS A 80 -7.221 3.855 10.767 1.00 21.33 C ATOM 1314 CE LYS A 80 -8.188 3.937 11.943 1.00 62.24 C ATOM 1315 NZ LYS A 80 -7.466 4.017 13.242 1.00 4.12 N ATOM 0 H LYS A 80 -8.531 1.269 7.385 1.00 34.43 H new ATOM 0 HA LYS A 80 -7.448 1.480 9.984 1.00 53.20 H new ATOM 0 HB2 LYS A 80 -9.456 2.877 8.318 1.00 72.22 H new ATOM 0 HB3 LYS A 80 -9.761 2.969 10.042 1.00 72.22 H new ATOM 0 HG2 LYS A 80 -7.215 3.820 8.615 1.00 10.32 H new ATOM 0 HG3 LYS A 80 -8.425 4.881 9.308 1.00 10.32 H new ATOM 0 HD2 LYS A 80 -6.650 2.929 10.833 1.00 21.33 H new ATOM 0 HD3 LYS A 80 -6.506 4.676 10.829 1.00 21.33 H new ATOM 0 HE2 LYS A 80 -8.828 4.811 11.828 1.00 62.24 H new ATOM 0 HE3 LYS A 80 -8.839 3.063 11.941 1.00 62.24 H new ATOM 0 HZ1 LYS A 80 -8.050 3.593 13.991 1.00 4.12 H new ATOM 0 HZ2 LYS A 80 -6.566 3.501 13.171 1.00 4.12 H new ATOM 0 HZ3 LYS A 80 -7.277 5.013 13.473 1.00 4.12 H new ATOM 1329 N LEU A 81 -10.205 -0.203 9.677 1.00 11.05 N ATOM 1330 CA LEU A 81 -11.162 -1.025 10.392 1.00 51.01 C ATOM 1331 C LEU A 81 -10.478 -2.211 11.056 1.00 44.41 C ATOM 1332 O LEU A 81 -10.810 -2.560 12.181 1.00 11.55 O ATOM 1333 CB LEU A 81 -12.276 -1.491 9.453 1.00 1.22 C ATOM 1334 CG LEU A 81 -13.080 -0.361 8.808 1.00 2.35 C ATOM 1335 CD1 LEU A 81 -14.146 -0.920 7.887 1.00 63.42 C ATOM 1336 CD2 LEU A 81 -13.705 0.527 9.873 1.00 62.01 C ATOM 0 H LEU A 81 -10.254 -0.279 8.661 1.00 11.05 H new ATOM 0 HA LEU A 81 -11.609 -0.418 11.179 1.00 51.01 H new ATOM 0 HB2 LEU A 81 -11.837 -2.102 8.665 1.00 1.22 H new ATOM 0 HB3 LEU A 81 -12.959 -2.132 10.011 1.00 1.22 H new ATOM 0 HG LEU A 81 -12.398 0.246 8.212 1.00 2.35 H new ATOM 0 HD11 LEU A 81 -14.706 -0.099 7.439 1.00 63.42 H new ATOM 0 HD12 LEU A 81 -13.675 -1.510 7.101 1.00 63.42 H new ATOM 0 HD13 LEU A 81 -14.825 -1.553 8.458 1.00 63.42 H new ATOM 0 HD21 LEU A 81 -14.273 1.325 9.394 1.00 62.01 H new ATOM 0 HD22 LEU A 81 -14.371 -0.068 10.498 1.00 62.01 H new ATOM 0 HD23 LEU A 81 -12.920 0.961 10.491 1.00 62.01 H new ATOM 1348 N LEU A 82 -9.511 -2.814 10.379 1.00 32.25 N ATOM 1349 CA LEU A 82 -8.797 -3.954 10.947 1.00 31.11 C ATOM 1350 C LEU A 82 -7.673 -3.504 11.880 1.00 3.04 C ATOM 1351 O LEU A 82 -7.261 -4.250 12.767 1.00 64.12 O ATOM 1352 CB LEU A 82 -8.263 -4.865 9.841 1.00 34.41 C ATOM 1353 CG LEU A 82 -7.460 -4.177 8.739 1.00 13.35 C ATOM 1354 CD1 LEU A 82 -5.964 -4.326 8.965 1.00 53.52 C ATOM 1355 CD2 LEU A 82 -7.858 -4.728 7.386 1.00 74.40 C ATOM 0 H LEU A 82 -9.204 -2.539 9.446 1.00 32.25 H new ATOM 0 HA LEU A 82 -9.507 -4.525 11.545 1.00 31.11 H new ATOM 0 HB2 LEU A 82 -7.635 -5.629 10.298 1.00 34.41 H new ATOM 0 HB3 LEU A 82 -9.107 -5.379 9.382 1.00 34.41 H new ATOM 0 HG LEU A 82 -7.688 -3.112 8.766 1.00 13.35 H new ATOM 0 HD11 LEU A 82 -5.423 -3.825 8.162 1.00 53.52 H new ATOM 0 HD12 LEU A 82 -5.694 -3.877 9.921 1.00 53.52 H new ATOM 0 HD13 LEU A 82 -5.701 -5.384 8.974 1.00 53.52 H new ATOM 0 HD21 LEU A 82 -7.280 -4.231 6.607 1.00 74.40 H new ATOM 0 HD22 LEU A 82 -7.660 -5.800 7.357 1.00 74.40 H new ATOM 0 HD23 LEU A 82 -8.920 -4.550 7.219 1.00 74.40 H new ATOM 1367 N GLU A 83 -7.180 -2.288 11.680 1.00 10.24 N ATOM 1368 CA GLU A 83 -6.190 -1.711 12.585 1.00 1.03 C ATOM 1369 C GLU A 83 -6.851 -1.280 13.888 1.00 63.53 C ATOM 1370 O GLU A 83 -6.367 -1.582 14.977 1.00 41.34 O ATOM 1371 CB GLU A 83 -5.508 -0.503 11.941 1.00 42.15 C ATOM 1372 CG GLU A 83 -4.560 -0.848 10.804 1.00 30.25 C ATOM 1373 CD GLU A 83 -3.319 -1.580 11.268 1.00 72.13 C ATOM 1374 OE1 GLU A 83 -2.887 -1.364 12.423 1.00 10.44 O ATOM 1375 OE2 GLU A 83 -2.757 -2.361 10.475 1.00 65.02 O ATOM 0 H GLU A 83 -7.447 -1.683 10.903 1.00 10.24 H new ATOM 0 HA GLU A 83 -5.440 -2.474 12.794 1.00 1.03 H new ATOM 0 HB2 GLU A 83 -6.275 0.174 11.565 1.00 42.15 H new ATOM 0 HB3 GLU A 83 -4.954 0.038 12.708 1.00 42.15 H new ATOM 0 HG2 GLU A 83 -5.086 -1.463 10.074 1.00 30.25 H new ATOM 0 HG3 GLU A 83 -4.265 0.069 10.294 1.00 30.25 H new ATOM 1382 N ASP A 84 -7.972 -0.584 13.765 1.00 30.32 N ATOM 1383 CA ASP A 84 -8.681 -0.045 14.922 1.00 21.53 C ATOM 1384 C ASP A 84 -9.558 -1.117 15.547 1.00 32.23 C ATOM 1385 O ASP A 84 -10.023 -0.978 16.679 1.00 63.41 O ATOM 1386 CB ASP A 84 -9.558 1.131 14.494 1.00 24.30 C ATOM 1387 CG ASP A 84 -9.628 2.229 15.532 1.00 71.52 C ATOM 1388 OD1 ASP A 84 -10.367 2.079 16.520 1.00 62.34 O ATOM 1389 OD2 ASP A 84 -8.944 3.261 15.348 1.00 71.23 O ATOM 0 H ASP A 84 -8.415 -0.377 12.870 1.00 30.32 H new ATOM 0 HA ASP A 84 -7.946 0.292 15.653 1.00 21.53 H new ATOM 0 HB2 ASP A 84 -9.171 1.544 13.562 1.00 24.30 H new ATOM 0 HB3 ASP A 84 -10.565 0.769 14.288 1.00 24.30 H new ATOM 1394 N LYS A 85 -9.771 -2.186 14.785 1.00 40.04 N ATOM 1395 CA LYS A 85 -10.645 -3.282 15.186 1.00 32.24 C ATOM 1396 C LYS A 85 -12.073 -2.774 15.336 1.00 43.11 C ATOM 1397 O LYS A 85 -12.658 -2.799 16.420 1.00 43.13 O ATOM 1398 CB LYS A 85 -10.142 -3.943 16.474 1.00 5.35 C ATOM 1399 CG LYS A 85 -8.714 -4.455 16.356 1.00 22.22 C ATOM 1400 CD LYS A 85 -8.597 -5.585 15.337 1.00 1.35 C ATOM 1401 CE LYS A 85 -8.757 -6.966 15.965 1.00 73.12 C ATOM 1402 NZ LYS A 85 -10.091 -7.173 16.592 1.00 33.14 N ATOM 0 H LYS A 85 -9.341 -2.316 13.869 1.00 40.04 H new ATOM 0 HA LYS A 85 -10.633 -4.047 14.410 1.00 32.24 H new ATOM 0 HB2 LYS A 85 -10.199 -3.225 17.292 1.00 5.35 H new ATOM 0 HB3 LYS A 85 -10.800 -4.773 16.732 1.00 5.35 H new ATOM 0 HG2 LYS A 85 -8.057 -3.635 16.066 1.00 22.22 H new ATOM 0 HG3 LYS A 85 -8.373 -4.807 17.330 1.00 22.22 H new ATOM 0 HD2 LYS A 85 -9.355 -5.452 14.565 1.00 1.35 H new ATOM 0 HD3 LYS A 85 -7.626 -5.525 14.845 1.00 1.35 H new ATOM 0 HE2 LYS A 85 -8.600 -7.726 15.200 1.00 73.12 H new ATOM 0 HE3 LYS A 85 -7.982 -7.107 16.719 1.00 73.12 H new ATOM 0 HZ1 LYS A 85 -10.244 -8.189 16.756 1.00 33.14 H new ATOM 0 HZ2 LYS A 85 -10.131 -6.666 17.499 1.00 33.14 H new ATOM 0 HZ3 LYS A 85 -10.832 -6.809 15.959 1.00 33.14 H new ATOM 1416 N SER A 86 -12.604 -2.270 14.232 1.00 64.34 N ATOM 1417 CA SER A 86 -13.958 -1.747 14.188 1.00 1.31 C ATOM 1418 C SER A 86 -14.898 -2.747 13.511 1.00 64.21 C ATOM 1419 O SER A 86 -14.522 -3.410 12.543 1.00 72.22 O ATOM 1420 CB SER A 86 -13.953 -0.412 13.447 1.00 15.14 C ATOM 1421 OG SER A 86 -12.976 0.458 13.999 1.00 2.42 O ATOM 0 H SER A 86 -12.107 -2.213 13.343 1.00 64.34 H new ATOM 0 HA SER A 86 -14.322 -1.589 15.203 1.00 1.31 H new ATOM 0 HB2 SER A 86 -13.746 -0.577 12.390 1.00 15.14 H new ATOM 0 HB3 SER A 86 -14.938 0.050 13.511 1.00 15.14 H new ATOM 0 HG SER A 86 -12.983 1.309 13.513 1.00 2.42 H new ATOM 1427 N ASN A 87 -16.128 -2.829 14.008 1.00 44.44 N ATOM 1428 CA ASN A 87 -17.073 -3.871 13.592 1.00 21.10 C ATOM 1429 C ASN A 87 -17.539 -3.702 12.149 1.00 33.22 C ATOM 1430 O ASN A 87 -18.137 -4.613 11.582 1.00 73.13 O ATOM 1431 CB ASN A 87 -18.307 -3.883 14.500 1.00 32.12 C ATOM 1432 CG ASN A 87 -19.215 -2.680 14.293 1.00 71.10 C ATOM 1433 OD1 ASN A 87 -18.758 -1.563 14.043 1.00 54.44 O ATOM 1434 ND2 ASN A 87 -20.514 -2.908 14.382 1.00 62.41 N ATOM 0 H ASN A 87 -16.500 -2.183 14.705 1.00 44.44 H new ATOM 0 HA ASN A 87 -16.532 -4.814 13.673 1.00 21.10 H new ATOM 0 HB2 ASN A 87 -18.876 -4.795 14.317 1.00 32.12 H new ATOM 0 HB3 ASN A 87 -17.984 -3.912 15.541 1.00 32.12 H new ATOM 0 HD21 ASN A 87 -21.176 -2.145 14.242 1.00 62.41 H new ATOM 0 HD22 ASN A 87 -20.854 -3.847 14.591 1.00 62.41 H new ATOM 1441 N LEU A 88 -17.262 -2.548 11.559 1.00 54.41 N ATOM 1442 CA LEU A 88 -17.766 -2.227 10.223 1.00 55.31 C ATOM 1443 C LEU A 88 -17.371 -3.290 9.203 1.00 54.03 C ATOM 1444 O LEU A 88 -18.153 -3.633 8.319 1.00 2.15 O ATOM 1445 CB LEU A 88 -17.276 -0.851 9.761 1.00 10.01 C ATOM 1446 CG LEU A 88 -17.847 0.351 10.525 1.00 1.02 C ATOM 1447 CD1 LEU A 88 -19.344 0.185 10.749 1.00 64.43 C ATOM 1448 CD2 LEU A 88 -17.125 0.554 11.847 1.00 51.50 C ATOM 0 H LEU A 88 -16.691 -1.816 11.981 1.00 54.41 H new ATOM 0 HA LEU A 88 -18.854 -2.206 10.291 1.00 55.31 H new ATOM 0 HB2 LEU A 88 -16.189 -0.827 9.843 1.00 10.01 H new ATOM 0 HB3 LEU A 88 -17.519 -0.735 8.705 1.00 10.01 H new ATOM 0 HG LEU A 88 -17.688 1.241 9.916 1.00 1.02 H new ATOM 0 HD11 LEU A 88 -19.729 1.048 11.292 1.00 64.43 H new ATOM 0 HD12 LEU A 88 -19.850 0.107 9.786 1.00 64.43 H new ATOM 0 HD13 LEU A 88 -19.527 -0.720 11.329 1.00 64.43 H new ATOM 0 HD21 LEU A 88 -17.551 1.413 12.366 1.00 51.50 H new ATOM 0 HD22 LEU A 88 -17.239 -0.337 12.465 1.00 51.50 H new ATOM 0 HD23 LEU A 88 -16.066 0.732 11.660 1.00 51.50 H new ATOM 1460 N LEU A 89 -16.166 -3.821 9.336 1.00 61.11 N ATOM 1461 CA LEU A 89 -15.715 -4.886 8.452 1.00 21.10 C ATOM 1462 C LEU A 89 -15.663 -6.215 9.194 1.00 72.51 C ATOM 1463 O LEU A 89 -15.840 -7.283 8.610 1.00 44.31 O ATOM 1464 CB LEU A 89 -14.331 -4.556 7.880 1.00 71.42 C ATOM 1465 CG LEU A 89 -13.652 -5.706 7.145 1.00 24.34 C ATOM 1466 CD1 LEU A 89 -14.329 -5.982 5.812 1.00 74.11 C ATOM 1467 CD2 LEU A 89 -12.172 -5.417 6.969 1.00 62.31 C ATOM 0 H LEU A 89 -15.487 -3.536 10.041 1.00 61.11 H new ATOM 0 HA LEU A 89 -16.428 -4.970 7.632 1.00 21.10 H new ATOM 0 HB2 LEU A 89 -14.428 -3.713 7.196 1.00 71.42 H new ATOM 0 HB3 LEU A 89 -13.684 -4.232 8.695 1.00 71.42 H new ATOM 0 HG LEU A 89 -13.751 -6.608 7.749 1.00 24.34 H new ATOM 0 HD11 LEU A 89 -13.823 -6.807 5.311 1.00 74.11 H new ATOM 0 HD12 LEU A 89 -15.373 -6.246 5.982 1.00 74.11 H new ATOM 0 HD13 LEU A 89 -14.277 -5.091 5.186 1.00 74.11 H new ATOM 0 HD21 LEU A 89 -11.699 -6.246 6.443 1.00 62.31 H new ATOM 0 HD22 LEU A 89 -12.046 -4.502 6.391 1.00 62.31 H new ATOM 0 HD23 LEU A 89 -11.706 -5.295 7.947 1.00 62.31 H new ATOM 1479 N LEU A 90 -15.460 -6.132 10.490 1.00 31.54 N ATOM 1480 CA LEU A 90 -15.103 -7.295 11.285 1.00 15.51 C ATOM 1481 C LEU A 90 -16.268 -7.815 12.125 1.00 71.54 C ATOM 1482 O LEU A 90 -16.049 -8.551 13.085 1.00 24.12 O ATOM 1483 CB LEU A 90 -13.949 -6.910 12.201 1.00 43.43 C ATOM 1484 CG LEU A 90 -12.843 -6.105 11.522 1.00 61.34 C ATOM 1485 CD1 LEU A 90 -12.018 -5.374 12.558 1.00 24.40 C ATOM 1486 CD2 LEU A 90 -11.961 -7.002 10.673 1.00 52.51 C ATOM 0 H LEU A 90 -15.536 -5.266 11.023 1.00 31.54 H new ATOM 0 HA LEU A 90 -14.821 -8.098 10.604 1.00 15.51 H new ATOM 0 HB2 LEU A 90 -14.342 -6.330 13.036 1.00 43.43 H new ATOM 0 HB3 LEU A 90 -13.515 -7.818 12.620 1.00 43.43 H new ATOM 0 HG LEU A 90 -13.308 -5.371 10.863 1.00 61.34 H new ATOM 0 HD11 LEU A 90 -11.233 -4.804 12.062 1.00 24.40 H new ATOM 0 HD12 LEU A 90 -12.659 -4.695 13.121 1.00 24.40 H new ATOM 0 HD13 LEU A 90 -11.567 -6.096 13.239 1.00 24.40 H new ATOM 0 HD21 LEU A 90 -11.182 -6.404 10.201 1.00 52.51 H new ATOM 0 HD22 LEU A 90 -11.502 -7.763 11.304 1.00 52.51 H new ATOM 0 HD23 LEU A 90 -12.565 -7.484 9.904 1.00 52.51 H new ATOM 1498 N TYR A 91 -17.501 -7.450 11.777 1.00 42.45 N ATOM 1499 CA TYR A 91 -18.649 -7.907 12.550 1.00 11.40 C ATOM 1500 C TYR A 91 -18.859 -9.405 12.375 1.00 74.34 C ATOM 1501 O TYR A 91 -18.422 -10.002 11.378 1.00 31.51 O ATOM 1502 CB TYR A 91 -19.930 -7.147 12.177 1.00 11.30 C ATOM 1503 CG TYR A 91 -20.441 -7.404 10.774 1.00 2.35 C ATOM 1504 CD1 TYR A 91 -21.104 -8.588 10.449 1.00 31.24 C ATOM 1505 CD2 TYR A 91 -20.270 -6.455 9.776 1.00 74.15 C ATOM 1506 CE1 TYR A 91 -21.576 -8.813 9.172 1.00 31.30 C ATOM 1507 CE2 TYR A 91 -20.743 -6.673 8.497 1.00 73.45 C ATOM 1508 CZ TYR A 91 -21.395 -7.854 8.199 1.00 14.03 C ATOM 1509 OH TYR A 91 -21.864 -8.078 6.927 1.00 52.11 O ATOM 0 H TYR A 91 -17.726 -6.852 10.982 1.00 42.45 H new ATOM 0 HA TYR A 91 -18.431 -7.700 13.598 1.00 11.40 H new ATOM 0 HB2 TYR A 91 -20.713 -7.414 12.887 1.00 11.30 H new ATOM 0 HB3 TYR A 91 -19.747 -6.079 12.291 1.00 11.30 H new ATOM 0 HD1 TYR A 91 -21.250 -9.341 11.210 1.00 31.24 H new ATOM 0 HD2 TYR A 91 -19.759 -5.531 10.003 1.00 74.15 H new ATOM 0 HE1 TYR A 91 -22.085 -9.736 8.936 1.00 31.30 H new ATOM 0 HE2 TYR A 91 -20.604 -5.923 7.732 1.00 73.45 H new ATOM 0 HH TYR A 91 -21.657 -7.305 6.361 1.00 52.11 H new ATOM 1519 N SER A 92 -19.541 -9.999 13.339 1.00 53.11 N ATOM 1520 CA SER A 92 -19.817 -11.418 13.322 1.00 11.32 C ATOM 1521 C SER A 92 -21.084 -11.686 12.517 1.00 23.20 C ATOM 1522 O SER A 92 -22.022 -10.889 12.519 1.00 23.33 O ATOM 1523 CB SER A 92 -19.963 -11.942 14.755 1.00 53.13 C ATOM 1524 OG SER A 92 -19.676 -13.330 14.832 1.00 45.41 O ATOM 0 H SER A 92 -19.916 -9.510 14.151 1.00 53.11 H new ATOM 0 HA SER A 92 -18.986 -11.942 12.849 1.00 11.32 H new ATOM 0 HB2 SER A 92 -19.291 -11.393 15.415 1.00 53.13 H new ATOM 0 HB3 SER A 92 -20.977 -11.759 15.109 1.00 53.13 H new ATOM 0 HG SER A 92 -19.776 -13.634 15.758 1.00 45.41 H new ATOM 1530 N CYS A 93 -21.090 -12.800 11.819 1.00 44.01 N ATOM 1531 CA CYS A 93 -22.188 -13.167 10.940 1.00 41.32 C ATOM 1532 C CYS A 93 -22.373 -14.669 10.959 1.00 63.52 C ATOM 1533 O CYS A 93 -21.605 -15.376 11.603 1.00 13.23 O ATOM 1534 CB CYS A 93 -21.856 -12.752 9.526 1.00 71.14 C ATOM 1535 SG CYS A 93 -20.550 -13.785 8.800 1.00 54.13 S ATOM 0 H CYS A 93 -20.332 -13.482 11.842 1.00 44.01 H new ATOM 0 HA CYS A 93 -23.097 -12.671 11.280 1.00 41.32 H new ATOM 0 HB2 CYS A 93 -22.753 -12.816 8.910 1.00 71.14 H new ATOM 0 HB3 CYS A 93 -21.539 -11.709 9.520 1.00 71.14 H new ATOM 0 HG CYS A 93 -20.996 -14.353 7.719 1.00 54.13 H new ATOM 1540 N ASN A 94 -23.349 -15.156 10.211 1.00 63.12 N ATOM 1541 CA ASN A 94 -23.592 -16.581 10.122 1.00 2.21 C ATOM 1542 C ASN A 94 -23.298 -17.088 8.711 1.00 12.43 C ATOM 1543 O ASN A 94 -24.217 -17.345 7.934 1.00 54.41 O ATOM 1544 CB ASN A 94 -25.044 -16.905 10.497 1.00 32.50 C ATOM 1545 CG ASN A 94 -25.300 -18.395 10.679 1.00 21.44 C ATOM 1546 OD1 ASN A 94 -25.313 -18.903 11.797 1.00 20.42 O ATOM 1547 ND2 ASN A 94 -25.487 -19.107 9.582 1.00 41.45 N ATOM 0 H ASN A 94 -23.985 -14.583 9.657 1.00 63.12 H new ATOM 0 HA ASN A 94 -22.926 -17.082 10.824 1.00 2.21 H new ATOM 0 HB2 ASN A 94 -25.299 -16.384 11.420 1.00 32.50 H new ATOM 0 HB3 ASN A 94 -25.707 -16.521 9.721 1.00 32.50 H new ATOM 0 HD21 ASN A 94 -25.649 -20.112 9.648 1.00 41.45 H new ATOM 0 HD22 ASN A 94 -25.470 -18.652 8.669 1.00 41.45 H new ATOM 1554 N CYS A 95 -22.021 -17.174 8.346 1.00 33.44 N ATOM 1555 CA CYS A 95 -21.651 -17.900 7.138 1.00 24.30 C ATOM 1556 C CYS A 95 -21.275 -19.334 7.492 1.00 51.14 C ATOM 1557 O CYS A 95 -20.881 -20.125 6.637 1.00 32.12 O ATOM 1558 CB CYS A 95 -20.506 -17.220 6.404 1.00 52.32 C ATOM 1559 SG CYS A 95 -21.009 -15.715 5.527 1.00 43.44 S ATOM 0 H CYS A 95 -21.242 -16.760 8.857 1.00 33.44 H new ATOM 0 HA CYS A 95 -22.512 -17.905 6.470 1.00 24.30 H new ATOM 0 HB2 CYS A 95 -19.722 -16.970 7.119 1.00 52.32 H new ATOM 0 HB3 CYS A 95 -20.074 -17.921 5.690 1.00 52.32 H new ATOM 0 HG CYS A 95 -20.423 -15.672 4.367 1.00 43.44 H new