USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 477 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 61 THR OG1 : rot 95:sc= 0.262 USER MOD Set 1.2: A 67 THR OG1 : rot -72:sc= 1.26 USER MOD Set 1.3: A 76 ASN :FLIP amide:sc= 1.09 F(o=0.72,f=2.6) USER MOD Single : A 28 CYS SG : rot 26:sc= 0.0573 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.152 F(o=-1,f=-0.15) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.64 USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.0571 (180deg=-0.426) USER MOD Single : A 63 MET CE :methyl -110:sc= -0.638 (180deg=-1.57) USER MOD Single : A 65 MET CE :methyl 165:sc= -0.238 (180deg=-0.68) USER MOD Single : A 69 MET CE :methyl 153:sc= -0.13 (180deg=-0.871) USER MOD Single : A 71 ASN :FLIP amide:sc= -2.76! C(o=-3.9!,f=-2.8!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc=-0.00954 (180deg=-0.277) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N CYS A 28 10.422 2.345 1.044 1.00 0.00 N ATOM 42 CA CYS A 28 11.871 2.418 0.940 1.00 0.00 C ATOM 43 C CYS A 28 12.479 2.811 2.282 1.00 0.00 C ATOM 44 O CYS A 28 11.835 3.469 3.098 1.00 0.00 O ATOM 45 CB CYS A 28 12.267 3.446 -0.122 1.00 0.00 C ATOM 46 SG CYS A 28 11.584 5.064 0.320 1.00 0.00 S ATOM 0 HA CYS A 28 12.249 1.437 0.653 1.00 0.00 H new ATOM 0 HB2 CYS A 28 13.353 3.506 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.895 3.137 -1.099 1.00 0.00 H new ATOM 0 HG CYS A 28 11.412 5.126 1.607 1.00 0.00 H new ATOM 52 N GLY A 29 13.718 2.391 2.502 1.00 0.00 N ATOM 53 CA GLY A 29 14.406 2.692 3.752 1.00 0.00 C ATOM 54 C GLY A 29 15.603 1.767 3.951 1.00 0.00 C ATOM 55 O GLY A 29 16.435 1.612 3.056 1.00 0.00 O ATOM 0 H GLY A 29 14.265 1.844 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.740 3.730 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.715 2.584 4.588 1.00 0.00 H new ATOM 59 N ARG A 30 15.686 1.162 5.133 1.00 0.00 N ATOM 60 CA ARG A 30 16.788 0.256 5.445 1.00 0.00 C ATOM 61 C ARG A 30 16.287 -1.178 5.578 1.00 0.00 C ATOM 62 O ARG A 30 15.179 -1.419 6.053 1.00 0.00 O ATOM 63 CB ARG A 30 17.460 0.685 6.752 1.00 0.00 C ATOM 64 CG ARG A 30 18.011 2.105 6.612 1.00 0.00 C ATOM 65 CD ARG A 30 19.218 2.103 5.672 1.00 0.00 C ATOM 66 NE ARG A 30 19.800 3.438 5.610 1.00 0.00 N ATOM 67 CZ ARG A 30 19.302 4.385 4.811 1.00 0.00 C ATOM 68 NH1 ARG A 30 18.252 4.154 4.060 1.00 0.00 N ATOM 69 NH2 ARG A 30 19.864 5.560 4.780 1.00 0.00 N ATOM 0 H ARG A 30 15.008 1.281 5.886 1.00 0.00 H new ATOM 0 HA ARG A 30 17.510 0.301 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.742 0.643 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.267 -0.005 7.000 1.00 0.00 H new ATOM 0 HG2 ARG A 30 17.238 2.768 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.301 2.490 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.962 1.388 6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.914 1.783 4.676 1.00 0.00 H new ATOM 0 HE ARG A 30 20.609 3.655 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 30 17.802 3.239 4.080 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.885 4.889 3.456 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.679 5.751 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.489 6.289 4.172 1.00 0.00 H new ATOM 83 N ALA A 31 17.116 -2.129 5.157 1.00 0.00 N ATOM 84 CA ALA A 31 16.751 -3.539 5.238 1.00 0.00 C ATOM 85 C ALA A 31 17.574 -4.237 6.317 1.00 0.00 C ATOM 86 O ALA A 31 18.803 -4.244 6.265 1.00 0.00 O ATOM 87 CB ALA A 31 16.982 -4.215 3.880 1.00 0.00 C ATOM 0 H ALA A 31 18.038 -1.951 4.759 1.00 0.00 H new ATOM 0 HA ALA A 31 15.696 -3.616 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 31 16.708 -5.268 3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.369 -3.727 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.034 -4.131 3.606 1.00 0.00 H new ATOM 93 N ARG A 32 16.892 -4.817 7.295 1.00 0.00 N ATOM 94 CA ARG A 32 17.573 -5.505 8.382 1.00 0.00 C ATOM 95 C ARG A 32 17.629 -7.002 8.109 1.00 0.00 C ATOM 96 O ARG A 32 16.607 -7.636 7.856 1.00 0.00 O ATOM 97 CB ARG A 32 16.833 -5.244 9.691 1.00 0.00 C ATOM 98 CG ARG A 32 17.789 -5.445 10.861 1.00 0.00 C ATOM 99 CD ARG A 32 17.165 -4.866 12.124 1.00 0.00 C ATOM 100 NE ARG A 32 18.137 -4.899 13.215 1.00 0.00 N ATOM 101 CZ ARG A 32 18.356 -6.006 13.935 1.00 0.00 C ATOM 102 NH1 ARG A 32 17.710 -7.116 13.679 1.00 0.00 N ATOM 103 NH2 ARG A 32 19.236 -5.986 14.899 1.00 0.00 N ATOM 0 H ARG A 32 15.874 -4.825 7.358 1.00 0.00 H new ATOM 0 HA ARG A 32 18.593 -5.127 8.458 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.436 -4.229 9.701 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.982 -5.919 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 32 17.997 -6.506 10.998 1.00 0.00 H new ATOM 0 HG3 ARG A 32 18.742 -4.957 10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.841 -3.841 11.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.278 -5.437 12.397 1.00 0.00 H new ATOM 0 HE ARG A 32 18.664 -4.054 13.434 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.028 -7.146 12.921 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.889 -7.951 14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.753 -5.130 15.100 1.00 0.00 H new ATOM 0 HH22 ARG A 32 19.407 -6.827 15.451 1.00 0.00 H new ATOM 117 N VAL A 33 18.831 -7.562 8.141 1.00 0.00 N ATOM 118 CA VAL A 33 19.001 -8.983 7.876 1.00 0.00 C ATOM 119 C VAL A 33 18.714 -9.801 9.130 1.00 0.00 C ATOM 120 O VAL A 33 19.264 -9.532 10.198 1.00 0.00 O ATOM 121 CB VAL A 33 20.430 -9.246 7.412 1.00 0.00 C ATOM 122 CG1 VAL A 33 20.600 -10.728 7.093 1.00 0.00 C ATOM 123 CG2 VAL A 33 20.721 -8.419 6.162 1.00 0.00 C ATOM 0 H VAL A 33 19.695 -7.059 8.346 1.00 0.00 H new ATOM 0 HA VAL A 33 18.299 -9.280 7.097 1.00 0.00 H new ATOM 0 HB VAL A 33 21.124 -8.964 8.204 1.00 0.00 H new ATOM 0 HG11 VAL A 33 21.622 -10.914 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 33 20.395 -11.318 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.905 -11.012 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 33 21.742 -8.607 5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.026 -8.699 5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.603 -7.360 6.391 1.00 0.00 H new ATOM 133 N HIS A 34 17.852 -10.803 8.989 1.00 0.00 N ATOM 134 CA HIS A 34 17.503 -11.663 10.115 1.00 0.00 C ATOM 135 C HIS A 34 18.206 -13.017 10.015 1.00 0.00 C ATOM 136 O HIS A 34 18.189 -13.802 10.963 1.00 0.00 O ATOM 137 CB HIS A 34 15.991 -11.878 10.150 1.00 0.00 C ATOM 138 CG HIS A 34 15.310 -10.574 10.454 1.00 0.00 C ATOM 139 ND1 HIS A 34 15.795 -9.359 10.873 1.00 0.00 N flip ATOM 140 CD2 HIS A 34 13.939 -10.412 10.337 1.00 0.00 C flip ATOM 141 CE1 HIS A 34 14.744 -8.459 11.015 1.00 0.00 C flip ATOM 142 NE2 HIS A 34 13.648 -9.144 10.680 1.00 0.00 N flip ATOM 0 H HIS A 34 17.385 -11.039 8.113 1.00 0.00 H new ATOM 0 HA HIS A 34 17.830 -11.171 11.031 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.645 -12.267 9.192 1.00 0.00 H new ATOM 0 HB3 HIS A 34 15.735 -12.620 10.907 1.00 0.00 H new ATOM 0 HD2 HIS A 34 13.232 -11.167 10.027 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.802 -7.427 11.329 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.706 -8.754 10.684 1.00 0.00 H new ATOM 150 N THR A 35 18.826 -13.289 8.869 1.00 0.00 N ATOM 151 CA THR A 35 19.525 -14.553 8.677 1.00 0.00 C ATOM 152 C THR A 35 20.768 -14.346 7.823 1.00 0.00 C ATOM 153 O THR A 35 20.779 -13.520 6.914 1.00 0.00 O ATOM 154 CB THR A 35 18.599 -15.559 7.992 1.00 0.00 C ATOM 155 OG1 THR A 35 19.243 -16.822 7.921 1.00 0.00 O ATOM 156 CG2 THR A 35 18.275 -15.070 6.580 1.00 0.00 C ATOM 0 H THR A 35 18.858 -12.658 8.069 1.00 0.00 H new ATOM 0 HA THR A 35 19.824 -14.937 9.652 1.00 0.00 H new ATOM 0 HB THR A 35 17.676 -15.655 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 35 18.650 -17.468 7.484 1.00 0.00 H new ATOM 0 HG21 THR A 35 17.615 -15.786 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 35 17.781 -14.100 6.635 1.00 0.00 H new ATOM 0 HG23 THR A 35 19.197 -14.976 6.007 1.00 0.00 H new ATOM 164 N ASP A 36 21.810 -15.106 8.121 1.00 0.00 N ATOM 165 CA ASP A 36 23.062 -14.995 7.375 1.00 0.00 C ATOM 166 C ASP A 36 22.923 -15.572 5.971 1.00 0.00 C ATOM 167 O ASP A 36 22.733 -16.777 5.798 1.00 0.00 O ATOM 168 CB ASP A 36 24.184 -15.721 8.122 1.00 0.00 C ATOM 169 CG ASP A 36 23.676 -17.033 8.715 1.00 0.00 C ATOM 170 OD1 ASP A 36 22.741 -17.591 8.164 1.00 0.00 O ATOM 171 OD2 ASP A 36 24.223 -17.457 9.720 1.00 0.00 O ATOM 0 H ASP A 36 21.819 -15.802 8.867 1.00 0.00 H new ATOM 0 HA ASP A 36 23.307 -13.937 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 36 25.012 -15.920 7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.571 -15.083 8.916 1.00 0.00 H new ATOM 176 N PHE A 37 23.031 -14.704 4.965 1.00 0.00 N ATOM 177 CA PHE A 37 22.928 -15.146 3.583 1.00 0.00 C ATOM 178 C PHE A 37 24.198 -14.800 2.821 1.00 0.00 C ATOM 179 O PHE A 37 24.600 -13.638 2.766 1.00 0.00 O ATOM 180 CB PHE A 37 21.714 -14.497 2.912 1.00 0.00 C ATOM 181 CG PHE A 37 21.703 -14.834 1.440 1.00 0.00 C ATOM 182 CD1 PHE A 37 22.066 -16.117 1.017 1.00 0.00 C ATOM 183 CD2 PHE A 37 21.330 -13.863 0.496 1.00 0.00 C ATOM 184 CE1 PHE A 37 22.058 -16.433 -0.347 1.00 0.00 C ATOM 185 CE2 PHE A 37 21.321 -14.181 -0.867 1.00 0.00 C ATOM 186 CZ PHE A 37 21.688 -15.466 -1.289 1.00 0.00 C ATOM 0 H PHE A 37 23.188 -13.703 5.083 1.00 0.00 H new ATOM 0 HA PHE A 37 22.800 -16.228 3.571 1.00 0.00 H new ATOM 0 HB2 PHE A 37 20.796 -14.849 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 37 21.747 -13.416 3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 37 22.352 -16.864 1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 37 21.050 -12.872 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 37 22.338 -17.424 -0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 37 21.031 -13.436 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 37 21.685 -15.710 -2.341 1.00 0.00 H new ATOM 196 N THR A 38 24.828 -15.811 2.231 1.00 0.00 N ATOM 197 CA THR A 38 26.055 -15.581 1.480 1.00 0.00 C ATOM 198 C THR A 38 25.926 -16.113 0.051 1.00 0.00 C ATOM 199 O THR A 38 25.144 -17.028 -0.207 1.00 0.00 O ATOM 200 CB THR A 38 27.226 -16.274 2.176 1.00 0.00 C ATOM 201 OG1 THR A 38 26.982 -17.673 2.225 1.00 0.00 O ATOM 202 CG2 THR A 38 27.379 -15.732 3.600 1.00 0.00 C ATOM 0 H THR A 38 24.515 -16.782 2.257 1.00 0.00 H new ATOM 0 HA THR A 38 26.235 -14.507 1.438 1.00 0.00 H new ATOM 0 HB THR A 38 28.143 -16.080 1.619 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.732 -18.121 2.669 1.00 0.00 H new ATOM 0 HG21 THR A 38 28.215 -16.230 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 38 27.567 -14.659 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.464 -15.921 4.161 1.00 0.00 H new ATOM 210 N PRO A 39 26.676 -15.559 -0.874 1.00 0.00 N ATOM 211 CA PRO A 39 26.649 -15.982 -2.302 1.00 0.00 C ATOM 212 C PRO A 39 27.431 -17.267 -2.544 1.00 0.00 C ATOM 213 O PRO A 39 28.294 -17.641 -1.751 1.00 0.00 O ATOM 214 CB PRO A 39 27.281 -14.801 -3.028 1.00 0.00 C ATOM 215 CG PRO A 39 28.212 -14.184 -2.044 1.00 0.00 C ATOM 216 CD PRO A 39 27.637 -14.465 -0.656 1.00 0.00 C ATOM 0 HA PRO A 39 25.641 -16.212 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 39 27.814 -15.128 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 39 26.523 -14.088 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 39 29.212 -14.606 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 39 28.301 -13.111 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 39 28.418 -14.756 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 39 27.148 -13.583 -0.242 1.00 0.00 H new ATOM 224 N SER A 40 27.121 -17.937 -3.646 1.00 0.00 N ATOM 225 CA SER A 40 27.803 -19.179 -3.986 1.00 0.00 C ATOM 226 C SER A 40 29.138 -18.883 -4.673 1.00 0.00 C ATOM 227 O SER A 40 29.336 -17.791 -5.208 1.00 0.00 O ATOM 228 CB SER A 40 26.925 -20.030 -4.902 1.00 0.00 C ATOM 229 OG SER A 40 25.752 -20.418 -4.197 1.00 0.00 O ATOM 0 H SER A 40 26.408 -17.645 -4.315 1.00 0.00 H new ATOM 0 HA SER A 40 27.995 -19.731 -3.066 1.00 0.00 H new ATOM 0 HB2 SER A 40 26.657 -19.466 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 40 27.473 -20.912 -5.234 1.00 0.00 H new ATOM 0 HG SER A 40 25.184 -20.963 -4.781 1.00 0.00 H new ATOM 235 N PRO A 41 30.058 -19.819 -4.658 1.00 0.00 N ATOM 236 CA PRO A 41 31.402 -19.629 -5.292 1.00 0.00 C ATOM 237 C PRO A 41 31.289 -19.176 -6.749 1.00 0.00 C ATOM 238 O PRO A 41 31.979 -18.250 -7.176 1.00 0.00 O ATOM 239 CB PRO A 41 32.027 -21.025 -5.211 1.00 0.00 C ATOM 240 CG PRO A 41 31.346 -21.692 -4.064 1.00 0.00 C ATOM 241 CD PRO A 41 29.924 -21.150 -4.039 1.00 0.00 C ATOM 0 HA PRO A 41 31.989 -18.856 -4.796 1.00 0.00 H new ATOM 0 HB2 PRO A 41 31.873 -21.580 -6.137 1.00 0.00 H new ATOM 0 HB3 PRO A 41 33.103 -20.966 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 41 31.347 -22.775 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 41 31.861 -21.477 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 41 29.241 -21.788 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 41 29.536 -21.084 -3.022 1.00 0.00 H new ATOM 249 N TYR A 42 30.415 -19.832 -7.507 1.00 0.00 N ATOM 250 CA TYR A 42 30.218 -19.477 -8.909 1.00 0.00 C ATOM 251 C TYR A 42 29.308 -18.258 -9.035 1.00 0.00 C ATOM 252 O TYR A 42 29.307 -17.573 -10.057 1.00 0.00 O ATOM 253 CB TYR A 42 29.598 -20.657 -9.666 1.00 0.00 C ATOM 254 CG TYR A 42 28.170 -20.849 -9.218 1.00 0.00 C ATOM 255 CD1 TYR A 42 27.129 -20.214 -9.905 1.00 0.00 C ATOM 256 CD2 TYR A 42 27.886 -21.662 -8.113 1.00 0.00 C ATOM 257 CE1 TYR A 42 25.804 -20.392 -9.489 1.00 0.00 C ATOM 258 CE2 TYR A 42 26.561 -21.839 -7.698 1.00 0.00 C ATOM 259 CZ TYR A 42 25.520 -21.204 -8.385 1.00 0.00 C ATOM 260 OH TYR A 42 24.214 -21.378 -7.974 1.00 0.00 O ATOM 0 H TYR A 42 29.837 -20.605 -7.178 1.00 0.00 H new ATOM 0 HA TYR A 42 31.190 -19.236 -9.340 1.00 0.00 H new ATOM 0 HB2 TYR A 42 29.632 -20.472 -10.740 1.00 0.00 H new ATOM 0 HB3 TYR A 42 30.173 -21.564 -9.481 1.00 0.00 H new ATOM 0 HD1 TYR A 42 27.348 -19.586 -10.756 1.00 0.00 H new ATOM 0 HD2 TYR A 42 28.689 -22.152 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 42 25.001 -19.903 -10.020 1.00 0.00 H new ATOM 0 HE2 TYR A 42 26.342 -22.466 -6.847 1.00 0.00 H new ATOM 0 HH TYR A 42 24.193 -21.972 -7.195 1.00 0.00 H new ATOM 270 N ASP A 43 28.530 -17.999 -7.987 1.00 0.00 N ATOM 271 CA ASP A 43 27.615 -16.866 -7.991 1.00 0.00 C ATOM 272 C ASP A 43 28.281 -15.641 -7.367 1.00 0.00 C ATOM 273 O ASP A 43 28.433 -15.561 -6.148 1.00 0.00 O ATOM 274 CB ASP A 43 26.347 -17.217 -7.210 1.00 0.00 C ATOM 275 CG ASP A 43 25.337 -16.078 -7.309 1.00 0.00 C ATOM 276 OD1 ASP A 43 25.669 -15.064 -7.899 1.00 0.00 O ATOM 277 OD2 ASP A 43 24.242 -16.238 -6.795 1.00 0.00 O ATOM 0 H ASP A 43 28.516 -18.555 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 43 27.351 -16.636 -9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 43 25.911 -18.135 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 43 26.594 -17.404 -6.165 1.00 0.00 H new ATOM 282 N THR A 44 28.669 -14.688 -8.207 1.00 0.00 N ATOM 283 CA THR A 44 29.311 -13.472 -7.718 1.00 0.00 C ATOM 284 C THR A 44 28.330 -12.302 -7.757 1.00 0.00 C ATOM 285 O THR A 44 28.483 -11.327 -7.020 1.00 0.00 O ATOM 286 CB THR A 44 30.529 -13.143 -8.583 1.00 0.00 C ATOM 287 OG1 THR A 44 30.103 -12.862 -9.909 1.00 0.00 O ATOM 288 CG2 THR A 44 31.477 -14.340 -8.598 1.00 0.00 C ATOM 0 H THR A 44 28.552 -14.732 -9.219 1.00 0.00 H new ATOM 0 HA THR A 44 29.629 -13.636 -6.688 1.00 0.00 H new ATOM 0 HB THR A 44 31.044 -12.274 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 44 30.882 -12.649 -10.465 1.00 0.00 H new ATOM 0 HG21 THR A 44 32.346 -14.108 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 31.801 -14.560 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 44 30.961 -15.207 -9.010 1.00 0.00 H new ATOM 296 N ASP A 45 27.321 -12.411 -8.617 1.00 0.00 N ATOM 297 CA ASP A 45 26.314 -11.362 -8.741 1.00 0.00 C ATOM 298 C ASP A 45 25.542 -11.202 -7.437 1.00 0.00 C ATOM 299 O ASP A 45 25.192 -10.090 -7.042 1.00 0.00 O ATOM 300 CB ASP A 45 25.342 -11.695 -9.875 1.00 0.00 C ATOM 301 CG ASP A 45 26.038 -11.525 -11.222 1.00 0.00 C ATOM 302 OD1 ASP A 45 27.112 -10.946 -11.244 1.00 0.00 O ATOM 303 OD2 ASP A 45 25.485 -11.974 -12.213 1.00 0.00 O ATOM 0 H ASP A 45 27.179 -13.210 -9.235 1.00 0.00 H new ATOM 0 HA ASP A 45 26.823 -10.425 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 45 24.982 -12.718 -9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 45 24.470 -11.043 -9.822 1.00 0.00 H new ATOM 308 N SER A 46 25.280 -12.322 -6.772 1.00 0.00 N ATOM 309 CA SER A 46 24.542 -12.298 -5.513 1.00 0.00 C ATOM 310 C SER A 46 25.292 -11.489 -4.458 1.00 0.00 C ATOM 311 O SER A 46 26.508 -11.617 -4.310 1.00 0.00 O ATOM 312 CB SER A 46 24.331 -13.725 -5.008 1.00 0.00 C ATOM 313 OG SER A 46 23.733 -13.684 -3.720 1.00 0.00 O ATOM 0 H SER A 46 25.565 -13.252 -7.080 1.00 0.00 H new ATOM 0 HA SER A 46 23.576 -11.826 -5.692 1.00 0.00 H new ATOM 0 HB2 SER A 46 23.695 -14.277 -5.700 1.00 0.00 H new ATOM 0 HB3 SER A 46 25.284 -14.251 -4.962 1.00 0.00 H new ATOM 0 HG SER A 46 23.595 -14.598 -3.394 1.00 0.00 H new ATOM 319 N LEU A 47 24.554 -10.653 -3.736 1.00 0.00 N ATOM 320 CA LEU A 47 25.149 -9.817 -2.700 1.00 0.00 C ATOM 321 C LEU A 47 25.353 -10.621 -1.419 1.00 0.00 C ATOM 322 O LEU A 47 24.546 -11.491 -1.085 1.00 0.00 O ATOM 323 CB LEU A 47 24.255 -8.607 -2.420 1.00 0.00 C ATOM 324 CG LEU A 47 24.921 -7.701 -1.379 1.00 0.00 C ATOM 325 CD1 LEU A 47 26.237 -7.142 -1.936 1.00 0.00 C ATOM 326 CD2 LEU A 47 23.977 -6.547 -1.044 1.00 0.00 C ATOM 0 H LEU A 47 23.547 -10.536 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 47 26.119 -9.467 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 47 24.080 -8.051 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.282 -8.938 -2.058 1.00 0.00 H new ATOM 0 HG LEU A 47 25.134 -8.278 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.704 -6.499 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.909 -7.966 -2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.034 -6.564 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 47 24.444 -5.898 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.767 -5.975 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 23.045 -6.944 -0.642 1.00 0.00 H new ATOM 338 N LYS A 48 26.421 -10.308 -0.692 1.00 0.00 N ATOM 339 CA LYS A 48 26.706 -10.995 0.560 1.00 0.00 C ATOM 340 C LYS A 48 26.180 -10.189 1.746 1.00 0.00 C ATOM 341 O LYS A 48 26.479 -9.002 1.886 1.00 0.00 O ATOM 342 CB LYS A 48 28.216 -11.202 0.712 1.00 0.00 C ATOM 343 CG LYS A 48 28.931 -9.848 0.668 1.00 0.00 C ATOM 344 CD LYS A 48 29.522 -9.544 2.045 1.00 0.00 C ATOM 345 CE LYS A 48 30.823 -10.325 2.225 1.00 0.00 C ATOM 346 NZ LYS A 48 31.496 -9.885 3.480 1.00 0.00 N ATOM 0 H LYS A 48 27.098 -9.589 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 48 26.206 -11.964 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.430 -11.707 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.586 -11.846 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.720 -9.865 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.232 -9.064 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.711 -8.475 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.811 -9.816 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.615 -11.394 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.480 -10.161 1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 32.382 -10.416 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.707 -8.868 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.870 -10.063 4.291 1.00 0.00 H new ATOM 360 N ILE A 49 25.393 -10.837 2.599 1.00 0.00 N ATOM 361 CA ILE A 49 24.836 -10.162 3.766 1.00 0.00 C ATOM 362 C ILE A 49 24.879 -11.079 4.988 1.00 0.00 C ATOM 363 O ILE A 49 24.969 -12.302 4.856 1.00 0.00 O ATOM 364 CB ILE A 49 23.393 -9.742 3.476 1.00 0.00 C ATOM 365 CG1 ILE A 49 22.508 -10.987 3.348 1.00 0.00 C ATOM 366 CG2 ILE A 49 23.350 -8.958 2.163 1.00 0.00 C ATOM 367 CD1 ILE A 49 21.055 -10.568 3.117 1.00 0.00 C ATOM 0 H ILE A 49 25.129 -11.818 2.506 1.00 0.00 H new ATOM 0 HA ILE A 49 25.435 -9.276 3.979 1.00 0.00 H new ATOM 0 HB ILE A 49 23.027 -9.119 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 49 22.853 -11.607 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 49 22.582 -11.592 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 49 22.324 -8.657 1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 49 23.978 -8.071 2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 49 23.717 -9.587 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 49 20.430 -11.456 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.711 -9.967 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.987 -9.982 2.201 1.00 0.00 H new ATOM 379 N LYS A 50 24.788 -10.487 6.173 1.00 0.00 N ATOM 380 CA LYS A 50 24.804 -11.273 7.401 1.00 0.00 C ATOM 381 C LYS A 50 23.742 -10.762 8.367 1.00 0.00 C ATOM 382 O LYS A 50 23.312 -9.615 8.276 1.00 0.00 O ATOM 383 CB LYS A 50 26.179 -11.187 8.066 1.00 0.00 C ATOM 384 CG LYS A 50 26.487 -9.730 8.419 1.00 0.00 C ATOM 385 CD LYS A 50 27.801 -9.658 9.195 1.00 0.00 C ATOM 386 CE LYS A 50 28.968 -9.975 8.259 1.00 0.00 C ATOM 387 NZ LYS A 50 30.256 -9.746 8.974 1.00 0.00 N ATOM 0 H LYS A 50 24.703 -9.480 6.310 1.00 0.00 H new ATOM 0 HA LYS A 50 24.591 -12.312 7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 26.198 -11.802 8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 50 26.944 -11.579 7.396 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.556 -9.132 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.677 -9.311 9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.927 -8.665 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.784 -10.365 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.906 -11.010 7.921 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.916 -9.346 7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 31.050 -9.962 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.314 -8.752 9.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 30.304 -10.364 9.809 1.00 0.00 H new ATOM 401 N LYS A 51 23.319 -11.620 9.290 1.00 0.00 N ATOM 402 CA LYS A 51 22.300 -11.238 10.264 1.00 0.00 C ATOM 403 C LYS A 51 22.776 -10.074 11.128 1.00 0.00 C ATOM 404 O LYS A 51 23.874 -10.105 11.682 1.00 0.00 O ATOM 405 CB LYS A 51 21.961 -12.435 11.154 1.00 0.00 C ATOM 406 CG LYS A 51 20.838 -12.053 12.118 1.00 0.00 C ATOM 407 CD LYS A 51 20.450 -13.272 12.959 1.00 0.00 C ATOM 408 CE LYS A 51 19.307 -12.896 13.905 1.00 0.00 C ATOM 409 NZ LYS A 51 18.917 -14.088 14.710 1.00 0.00 N ATOM 0 H LYS A 51 23.662 -12.576 9.385 1.00 0.00 H new ATOM 0 HA LYS A 51 21.410 -10.920 9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 51 21.655 -13.283 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 51 22.843 -12.748 11.713 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.162 -11.239 12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.973 -11.692 11.561 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.144 -14.093 12.310 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.310 -13.621 13.531 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.617 -12.085 14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 51 18.452 -12.534 13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.140 -13.834 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.605 -14.849 14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.734 -14.414 15.265 1.00 0.00 H new ATOM 423 N GLY A 52 21.941 -9.046 11.224 1.00 0.00 N ATOM 424 CA GLY A 52 22.277 -7.865 12.009 1.00 0.00 C ATOM 425 C GLY A 52 22.802 -6.740 11.115 1.00 0.00 C ATOM 426 O GLY A 52 22.849 -5.581 11.529 1.00 0.00 O ATOM 0 H GLY A 52 21.029 -9.006 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 21.396 -7.522 12.551 1.00 0.00 H new ATOM 0 HA3 GLY A 52 23.029 -8.122 12.755 1.00 0.00 H new ATOM 430 N ASP A 53 23.187 -7.086 9.888 1.00 0.00 N ATOM 431 CA ASP A 53 23.695 -6.096 8.945 1.00 0.00 C ATOM 432 C ASP A 53 22.549 -5.274 8.358 1.00 0.00 C ATOM 433 O ASP A 53 21.444 -5.784 8.159 1.00 0.00 O ATOM 434 CB ASP A 53 24.462 -6.791 7.822 1.00 0.00 C ATOM 435 CG ASP A 53 25.033 -5.752 6.866 1.00 0.00 C ATOM 436 OD1 ASP A 53 24.363 -5.441 5.897 1.00 0.00 O ATOM 437 OD2 ASP A 53 26.128 -5.279 7.120 1.00 0.00 O ATOM 0 H ASP A 53 23.157 -8.039 9.527 1.00 0.00 H new ATOM 0 HA ASP A 53 24.367 -5.424 9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 53 25.267 -7.396 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 23.800 -7.469 7.283 1.00 0.00 H new ATOM 442 N ILE A 54 22.819 -4.002 8.079 1.00 0.00 N ATOM 443 CA ILE A 54 21.803 -3.121 7.513 1.00 0.00 C ATOM 444 C ILE A 54 22.130 -2.811 6.055 1.00 0.00 C ATOM 445 O ILE A 54 23.245 -2.399 5.728 1.00 0.00 O ATOM 446 CB ILE A 54 21.731 -1.819 8.313 1.00 0.00 C ATOM 447 CG1 ILE A 54 21.479 -2.136 9.798 1.00 0.00 C ATOM 448 CG2 ILE A 54 20.597 -0.947 7.773 1.00 0.00 C ATOM 449 CD1 ILE A 54 20.146 -2.881 9.987 1.00 0.00 C ATOM 0 H ILE A 54 23.726 -3.561 8.234 1.00 0.00 H new ATOM 0 HA ILE A 54 20.838 -3.625 7.563 1.00 0.00 H new ATOM 0 HB ILE A 54 22.675 -1.283 8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.297 -2.743 10.187 1.00 0.00 H new ATOM 0 HG13 ILE A 54 21.467 -1.210 10.374 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.547 -0.020 8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.783 -0.717 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.651 -1.481 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.994 -3.092 11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.328 -2.262 9.619 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.171 -3.818 9.430 1.00 0.00 H new ATOM 461 N ILE A 55 21.155 -3.034 5.182 1.00 0.00 N ATOM 462 CA ILE A 55 21.344 -2.801 3.757 1.00 0.00 C ATOM 463 C ILE A 55 20.560 -1.575 3.302 1.00 0.00 C ATOM 464 O ILE A 55 19.376 -1.441 3.599 1.00 0.00 O ATOM 465 CB ILE A 55 20.870 -4.019 2.968 1.00 0.00 C ATOM 466 CG1 ILE A 55 21.658 -5.249 3.422 1.00 0.00 C ATOM 467 CG2 ILE A 55 21.122 -3.784 1.478 1.00 0.00 C ATOM 468 CD1 ILE A 55 21.029 -6.514 2.841 1.00 0.00 C ATOM 0 H ILE A 55 20.228 -3.375 5.436 1.00 0.00 H new ATOM 0 HA ILE A 55 22.405 -2.630 3.575 1.00 0.00 H new ATOM 0 HB ILE A 55 19.805 -4.177 3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.696 -5.167 3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.667 -5.304 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 20.785 -4.652 0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 55 20.573 -2.901 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.188 -3.632 1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 55 21.596 -7.386 3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.999 -6.600 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 55 21.043 -6.460 1.752 1.00 0.00 H new ATOM 480 N ASP A 56 21.227 -0.681 2.584 1.00 0.00 N ATOM 481 CA ASP A 56 20.571 0.526 2.100 1.00 0.00 C ATOM 482 C ASP A 56 19.756 0.207 0.853 1.00 0.00 C ATOM 483 O ASP A 56 20.315 -0.111 -0.195 1.00 0.00 O ATOM 484 CB ASP A 56 21.619 1.596 1.778 1.00 0.00 C ATOM 485 CG ASP A 56 20.937 2.902 1.378 1.00 0.00 C ATOM 486 OD1 ASP A 56 19.724 2.907 1.258 1.00 0.00 O ATOM 487 OD2 ASP A 56 21.644 3.882 1.199 1.00 0.00 O ATOM 0 H ASP A 56 22.210 -0.767 2.326 1.00 0.00 H new ATOM 0 HA ASP A 56 19.904 0.904 2.875 1.00 0.00 H new ATOM 0 HB2 ASP A 56 22.257 1.762 2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.264 1.252 0.969 1.00 0.00 H new ATOM 492 N ILE A 57 18.433 0.288 0.975 1.00 0.00 N ATOM 493 CA ILE A 57 17.555 -0.004 -0.154 1.00 0.00 C ATOM 494 C ILE A 57 17.740 1.028 -1.260 1.00 0.00 C ATOM 495 O ILE A 57 17.489 2.216 -1.064 1.00 0.00 O ATOM 496 CB ILE A 57 16.097 0.007 0.308 1.00 0.00 C ATOM 497 CG1 ILE A 57 15.861 -1.141 1.293 1.00 0.00 C ATOM 498 CG2 ILE A 57 15.173 -0.161 -0.900 1.00 0.00 C ATOM 499 CD1 ILE A 57 14.496 -0.970 1.970 1.00 0.00 C ATOM 0 H ILE A 57 17.950 0.550 1.834 1.00 0.00 H new ATOM 0 HA ILE A 57 17.812 -0.989 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 57 15.883 0.956 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 57 15.901 -2.096 0.769 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.651 -1.156 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 57 14.135 -0.153 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.337 0.658 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.388 -1.108 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.332 -1.789 2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 57 14.473 -0.022 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.711 -0.977 1.214 1.00 0.00 H new ATOM 511 N ILE A 58 18.175 0.555 -2.424 1.00 0.00 N ATOM 512 CA ILE A 58 18.384 1.434 -3.566 1.00 0.00 C ATOM 513 C ILE A 58 17.225 1.308 -4.551 1.00 0.00 C ATOM 514 O ILE A 58 16.831 2.284 -5.186 1.00 0.00 O ATOM 515 CB ILE A 58 19.711 1.091 -4.261 1.00 0.00 C ATOM 516 CG1 ILE A 58 20.118 2.249 -5.178 1.00 0.00 C ATOM 517 CG2 ILE A 58 19.557 -0.187 -5.094 1.00 0.00 C ATOM 518 CD1 ILE A 58 21.543 2.017 -5.688 1.00 0.00 C ATOM 0 H ILE A 58 18.388 -0.427 -2.599 1.00 0.00 H new ATOM 0 HA ILE A 58 18.429 2.464 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 58 20.478 0.931 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 19.427 2.323 -6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 58 20.063 3.193 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.504 -0.420 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 58 19.271 -1.013 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.786 -0.038 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 58 21.834 2.840 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 58 22.228 1.965 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.582 1.081 -6.245 1.00 0.00 H new ATOM 530 N CYS A 59 16.688 0.095 -4.678 1.00 0.00 N ATOM 531 CA CYS A 59 15.578 -0.144 -5.593 1.00 0.00 C ATOM 532 C CYS A 59 15.027 -1.553 -5.404 1.00 0.00 C ATOM 533 O CYS A 59 15.598 -2.358 -4.669 1.00 0.00 O ATOM 534 CB CYS A 59 16.034 0.061 -7.043 1.00 0.00 C ATOM 535 SG CYS A 59 17.218 -1.222 -7.511 1.00 0.00 S ATOM 0 H CYS A 59 17.001 -0.728 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 59 14.784 0.570 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.173 0.032 -7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 59 16.490 1.045 -7.153 1.00 0.00 H new ATOM 0 HG CYS A 59 17.594 -1.038 -8.742 1.00 0.00 H new ATOM 541 N LYS A 60 13.919 -1.851 -6.074 1.00 0.00 N ATOM 542 CA LYS A 60 13.310 -3.174 -5.965 1.00 0.00 C ATOM 543 C LYS A 60 13.324 -3.880 -7.311 1.00 0.00 C ATOM 544 O LYS A 60 13.190 -3.241 -8.352 1.00 0.00 O ATOM 545 CB LYS A 60 11.874 -3.048 -5.467 1.00 0.00 C ATOM 546 CG LYS A 60 11.886 -2.481 -4.048 1.00 0.00 C ATOM 547 CD LYS A 60 10.453 -2.384 -3.529 1.00 0.00 C ATOM 548 CE LYS A 60 10.466 -1.854 -2.094 1.00 0.00 C ATOM 549 NZ LYS A 60 11.016 -0.467 -2.074 1.00 0.00 N ATOM 0 H LYS A 60 13.428 -1.204 -6.691 1.00 0.00 H new ATOM 0 HA LYS A 60 13.889 -3.763 -5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.302 -2.396 -6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.385 -4.022 -5.479 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.479 -3.120 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.354 -1.497 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.868 -1.722 -4.167 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.976 -3.363 -3.562 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.456 -1.861 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.070 -2.504 -1.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.750 -0.001 -1.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.053 -0.503 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.629 0.071 -2.875 1.00 0.00 H new ATOM 563 N THR A 61 13.500 -5.199 -7.296 1.00 0.00 N ATOM 564 CA THR A 61 13.537 -5.934 -8.553 1.00 0.00 C ATOM 565 C THR A 61 12.158 -6.549 -8.834 1.00 0.00 C ATOM 566 O THR A 61 11.547 -7.118 -7.934 1.00 0.00 O ATOM 567 CB THR A 61 14.592 -7.047 -8.483 1.00 0.00 C ATOM 568 OG1 THR A 61 15.791 -6.520 -7.942 1.00 0.00 O ATOM 569 CG2 THR A 61 14.886 -7.566 -9.889 1.00 0.00 C ATOM 0 H THR A 61 13.616 -5.764 -6.455 1.00 0.00 H new ATOM 0 HA THR A 61 13.799 -5.246 -9.357 1.00 0.00 H new ATOM 0 HB THR A 61 14.216 -7.857 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 61 15.817 -6.690 -6.977 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.635 -8.356 -9.836 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.971 -7.963 -10.329 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.262 -6.750 -10.507 1.00 0.00 H new ATOM 577 N PRO A 62 11.658 -6.456 -10.046 1.00 0.00 N ATOM 578 CA PRO A 62 10.322 -7.031 -10.415 1.00 0.00 C ATOM 579 C PRO A 62 10.243 -8.540 -10.171 1.00 0.00 C ATOM 580 O PRO A 62 9.159 -9.089 -9.966 1.00 0.00 O ATOM 581 CB PRO A 62 10.185 -6.708 -11.914 1.00 0.00 C ATOM 582 CG PRO A 62 11.567 -6.400 -12.388 1.00 0.00 C ATOM 583 CD PRO A 62 12.285 -5.790 -11.200 1.00 0.00 C ATOM 0 HA PRO A 62 9.520 -6.611 -9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.763 -7.552 -12.460 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.518 -5.860 -12.073 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.073 -7.303 -12.730 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.546 -5.708 -13.230 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.358 -5.978 -11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.152 -4.709 -11.161 1.00 0.00 H new ATOM 591 N MET A 63 11.393 -9.198 -10.194 1.00 0.00 N ATOM 592 CA MET A 63 11.447 -10.638 -9.969 1.00 0.00 C ATOM 593 C MET A 63 11.014 -10.971 -8.547 1.00 0.00 C ATOM 594 O MET A 63 10.355 -11.983 -8.306 1.00 0.00 O ATOM 595 CB MET A 63 12.870 -11.146 -10.214 1.00 0.00 C ATOM 596 CG MET A 63 13.243 -10.974 -11.692 1.00 0.00 C ATOM 597 SD MET A 63 12.146 -11.973 -12.739 1.00 0.00 S ATOM 598 CE MET A 63 11.038 -10.642 -13.273 1.00 0.00 C ATOM 0 H MET A 63 12.299 -8.761 -10.365 1.00 0.00 H new ATOM 0 HA MET A 63 10.765 -11.128 -10.664 1.00 0.00 H new ATOM 0 HB2 MET A 63 13.573 -10.598 -9.587 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.943 -12.196 -9.932 1.00 0.00 H new ATOM 0 HG2 MET A 63 13.168 -9.924 -11.973 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.279 -11.273 -11.850 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.060 -10.775 -12.810 1.00 0.00 H new ATOM 0 HE2 MET A 63 11.454 -9.680 -12.973 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.933 -10.669 -14.358 1.00 0.00 H new ATOM 608 N GLY A 64 11.389 -10.112 -7.605 1.00 0.00 N ATOM 609 CA GLY A 64 11.036 -10.320 -6.205 1.00 0.00 C ATOM 610 C GLY A 64 12.201 -9.948 -5.295 1.00 0.00 C ATOM 611 O GLY A 64 12.006 -9.365 -4.229 1.00 0.00 O ATOM 0 H GLY A 64 11.935 -9.269 -7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.163 -9.718 -5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.761 -11.363 -6.045 1.00 0.00 H new ATOM 615 N MET A 65 13.410 -10.293 -5.722 1.00 0.00 N ATOM 616 CA MET A 65 14.598 -9.995 -4.931 1.00 0.00 C ATOM 617 C MET A 65 14.794 -8.485 -4.774 1.00 0.00 C ATOM 618 O MET A 65 14.486 -7.700 -5.672 1.00 0.00 O ATOM 619 CB MET A 65 15.837 -10.609 -5.584 1.00 0.00 C ATOM 620 CG MET A 65 15.763 -12.138 -5.509 1.00 0.00 C ATOM 621 SD MET A 65 17.241 -12.855 -6.271 1.00 0.00 S ATOM 622 CE MET A 65 18.405 -12.453 -4.939 1.00 0.00 C ATOM 0 H MET A 65 13.593 -10.774 -6.602 1.00 0.00 H new ATOM 0 HA MET A 65 14.457 -10.429 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.906 -10.290 -6.624 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.737 -10.255 -5.081 1.00 0.00 H new ATOM 0 HG2 MET A 65 15.685 -12.458 -4.470 1.00 0.00 H new ATOM 0 HG3 MET A 65 14.869 -12.495 -6.020 1.00 0.00 H new ATOM 0 HE1 MET A 65 19.321 -13.030 -5.070 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.639 -11.389 -4.969 1.00 0.00 H new ATOM 0 HE3 MET A 65 17.956 -12.699 -3.977 1.00 0.00 H new ATOM 632 N TRP A 66 15.298 -8.082 -3.618 1.00 0.00 N ATOM 633 CA TRP A 66 15.525 -6.667 -3.349 1.00 0.00 C ATOM 634 C TRP A 66 16.971 -6.286 -3.638 1.00 0.00 C ATOM 635 O TRP A 66 17.888 -7.088 -3.456 1.00 0.00 O ATOM 636 CB TRP A 66 15.184 -6.339 -1.894 1.00 0.00 C ATOM 637 CG TRP A 66 13.704 -6.171 -1.741 1.00 0.00 C ATOM 638 CD1 TRP A 66 12.768 -6.646 -2.596 1.00 0.00 C ATOM 639 CD2 TRP A 66 12.977 -5.473 -0.689 1.00 0.00 C ATOM 640 NE1 TRP A 66 11.514 -6.285 -2.133 1.00 0.00 N ATOM 641 CE2 TRP A 66 11.589 -5.565 -0.954 1.00 0.00 C ATOM 642 CE3 TRP A 66 13.386 -4.784 0.467 1.00 0.00 C ATOM 643 CZ2 TRP A 66 10.643 -4.980 -0.103 1.00 0.00 C ATOM 644 CZ3 TRP A 66 12.439 -4.199 1.317 1.00 0.00 C ATOM 645 CH2 TRP A 66 11.072 -4.302 1.037 1.00 0.00 C ATOM 0 H TRP A 66 15.557 -8.708 -2.855 1.00 0.00 H new ATOM 0 HA TRP A 66 14.874 -6.090 -4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 66 15.537 -7.136 -1.240 1.00 0.00 H new ATOM 0 HB3 TRP A 66 15.696 -5.426 -1.589 1.00 0.00 H new ATOM 0 HD1 TRP A 66 12.967 -7.214 -3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.641 -6.521 -2.604 1.00 0.00 H new ATOM 0 HE3 TRP A 66 14.437 -4.706 0.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 9.589 -5.054 -0.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 12.767 -3.664 2.196 1.00 0.00 H new ATOM 0 HH2 TRP A 66 10.349 -3.856 1.704 1.00 0.00 H new ATOM 656 N THR A 67 17.164 -5.054 -4.093 1.00 0.00 N ATOM 657 CA THR A 67 18.496 -4.565 -4.410 1.00 0.00 C ATOM 658 C THR A 67 18.849 -3.396 -3.501 1.00 0.00 C ATOM 659 O THR A 67 18.007 -2.534 -3.222 1.00 0.00 O ATOM 660 CB THR A 67 18.570 -4.123 -5.870 1.00 0.00 C ATOM 661 OG1 THR A 67 18.194 -5.207 -6.709 1.00 0.00 O ATOM 662 CG2 THR A 67 20.003 -3.700 -6.198 1.00 0.00 C ATOM 0 H THR A 67 16.416 -4.378 -4.250 1.00 0.00 H new ATOM 0 HA THR A 67 19.209 -5.374 -4.252 1.00 0.00 H new ATOM 0 HB THR A 67 17.895 -3.283 -6.034 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.906 -5.881 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 67 20.060 -3.384 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 67 20.295 -2.873 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 67 20.677 -4.542 -6.037 1.00 0.00 H new ATOM 670 N GLY A 68 20.099 -3.362 -3.050 1.00 0.00 N ATOM 671 CA GLY A 68 20.553 -2.291 -2.174 1.00 0.00 C ATOM 672 C GLY A 68 22.067 -2.128 -2.243 1.00 0.00 C ATOM 673 O GLY A 68 22.738 -2.748 -3.069 1.00 0.00 O ATOM 0 H GLY A 68 20.810 -4.058 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 68 20.070 -1.356 -2.458 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.254 -2.505 -1.148 1.00 0.00 H new ATOM 677 N MET A 69 22.593 -1.288 -1.357 1.00 0.00 N ATOM 678 CA MET A 69 24.029 -1.032 -1.304 1.00 0.00 C ATOM 679 C MET A 69 24.609 -1.503 0.024 1.00 0.00 C ATOM 680 O MET A 69 23.975 -1.389 1.071 1.00 0.00 O ATOM 681 CB MET A 69 24.312 0.461 -1.488 1.00 0.00 C ATOM 682 CG MET A 69 25.821 0.712 -1.408 1.00 0.00 C ATOM 683 SD MET A 69 26.150 2.474 -1.650 1.00 0.00 S ATOM 684 CE MET A 69 25.519 3.041 -0.052 1.00 0.00 C ATOM 0 H MET A 69 22.047 -0.773 -0.666 1.00 0.00 H new ATOM 0 HA MET A 69 24.503 -1.588 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 69 23.928 0.798 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 69 23.796 1.037 -0.719 1.00 0.00 H new ATOM 0 HG2 MET A 69 26.204 0.389 -0.440 1.00 0.00 H new ATOM 0 HG3 MET A 69 26.339 0.126 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 69 26.024 3.964 0.232 1.00 0.00 H new ATOM 0 HE2 MET A 69 24.447 3.222 -0.128 1.00 0.00 H new ATOM 0 HE3 MET A 69 25.706 2.278 0.704 1.00 0.00 H new ATOM 694 N LEU A 70 25.818 -2.036 -0.035 1.00 0.00 N ATOM 695 CA LEU A 70 26.492 -2.527 1.158 1.00 0.00 C ATOM 696 C LEU A 70 27.986 -2.256 1.080 1.00 0.00 C ATOM 697 O LEU A 70 28.655 -2.770 0.190 1.00 0.00 O ATOM 698 CB LEU A 70 26.286 -4.032 1.290 1.00 0.00 C ATOM 699 CG LEU A 70 25.520 -4.324 2.571 1.00 0.00 C ATOM 700 CD1 LEU A 70 25.131 -5.797 2.601 1.00 0.00 C ATOM 701 CD2 LEU A 70 26.399 -4.017 3.782 1.00 0.00 C ATOM 0 H LEU A 70 26.354 -2.140 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 70 26.070 -2.009 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 70 25.736 -4.412 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 70 27.249 -4.543 1.304 1.00 0.00 H new ATOM 0 HG LEU A 70 24.626 -3.701 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.582 -6.010 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.502 -6.025 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 70 26.030 -6.412 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 70 25.845 -4.228 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 70 27.294 -4.638 3.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 26.686 -2.966 3.766 1.00 0.00 H new ATOM 713 N ASN A 71 28.499 -1.452 2.016 1.00 0.00 N ATOM 714 CA ASN A 71 29.928 -1.112 2.058 1.00 0.00 C ATOM 715 C ASN A 71 30.472 -0.862 0.657 1.00 0.00 C ATOM 716 O ASN A 71 31.389 -1.550 0.206 1.00 0.00 O ATOM 717 CB ASN A 71 30.727 -2.241 2.730 1.00 0.00 C ATOM 718 CG ASN A 71 30.389 -3.589 2.100 1.00 0.00 C ATOM 719 OD1 ASN A 71 29.602 -4.416 2.733 1.00 0.00 O flip ATOM 720 ND2 ASN A 71 30.827 -3.881 0.988 1.00 0.00 N flip ATOM 0 H ASN A 71 27.946 -1.022 2.758 1.00 0.00 H new ATOM 0 HA ASN A 71 30.037 -0.198 2.641 1.00 0.00 H new ATOM 0 HB2 ASN A 71 31.795 -2.046 2.632 1.00 0.00 H new ATOM 0 HB3 ASN A 71 30.504 -2.266 3.797 1.00 0.00 H new ATOM 0 HD21 ASN A 71 31.442 -3.233 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 71 30.575 -4.771 0.558 1.00 0.00 H new ATOM 727 N ASN A 72 29.897 0.121 -0.027 1.00 0.00 N ATOM 728 CA ASN A 72 30.326 0.455 -1.381 1.00 0.00 C ATOM 729 C ASN A 72 30.171 -0.744 -2.317 1.00 0.00 C ATOM 730 O ASN A 72 30.982 -0.941 -3.222 1.00 0.00 O ATOM 731 CB ASN A 72 31.787 0.906 -1.360 1.00 0.00 C ATOM 732 CG ASN A 72 31.948 2.086 -0.410 1.00 0.00 C ATOM 733 OD1 ASN A 72 32.616 1.970 0.618 1.00 0.00 O ATOM 734 ND2 ASN A 72 31.380 3.225 -0.699 1.00 0.00 N ATOM 0 H ASN A 72 29.136 0.698 0.331 1.00 0.00 H new ATOM 0 HA ASN A 72 29.696 1.263 -1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.427 0.082 -1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.104 1.189 -2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 72 31.489 4.023 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 72 30.827 3.318 -1.551 1.00 0.00 H new ATOM 741 N LYS A 73 29.125 -1.539 -2.099 1.00 0.00 N ATOM 742 CA LYS A 73 28.877 -2.704 -2.943 1.00 0.00 C ATOM 743 C LYS A 73 27.381 -2.850 -3.208 1.00 0.00 C ATOM 744 O LYS A 73 26.613 -3.168 -2.304 1.00 0.00 O ATOM 745 CB LYS A 73 29.406 -3.966 -2.257 1.00 0.00 C ATOM 746 CG LYS A 73 29.586 -5.076 -3.288 1.00 0.00 C ATOM 747 CD LYS A 73 30.917 -4.882 -4.013 1.00 0.00 C ATOM 748 CE LYS A 73 31.134 -6.037 -4.991 1.00 0.00 C ATOM 749 NZ LYS A 73 30.137 -5.944 -6.094 1.00 0.00 N ATOM 0 H LYS A 73 28.443 -1.400 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 73 29.395 -2.568 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 73 30.356 -3.754 -1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 73 28.712 -4.287 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 73 29.564 -6.050 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.764 -5.060 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 73 30.917 -3.932 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 73 31.734 -4.842 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 73 32.145 -6.000 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 73 31.032 -6.991 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 30.440 -6.545 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 29.209 -6.265 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.065 -4.957 -6.415 1.00 0.00 H new ATOM 763 N VAL A 74 26.972 -2.630 -4.450 1.00 0.00 N ATOM 764 CA VAL A 74 25.562 -2.745 -4.802 1.00 0.00 C ATOM 765 C VAL A 74 25.286 -4.091 -5.456 1.00 0.00 C ATOM 766 O VAL A 74 25.959 -4.476 -6.412 1.00 0.00 O ATOM 767 CB VAL A 74 25.169 -1.614 -5.758 1.00 0.00 C ATOM 768 CG1 VAL A 74 23.698 -1.757 -6.152 1.00 0.00 C ATOM 769 CG2 VAL A 74 25.383 -0.267 -5.063 1.00 0.00 C ATOM 0 H VAL A 74 27.587 -2.374 -5.223 1.00 0.00 H new ATOM 0 HA VAL A 74 24.968 -2.669 -3.891 1.00 0.00 H new ATOM 0 HB VAL A 74 25.787 -1.667 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 74 23.423 -0.950 -6.832 1.00 0.00 H new ATOM 0 HG12 VAL A 74 23.545 -2.716 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 74 23.075 -1.706 -5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 74 25.104 0.540 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 74 24.765 -0.218 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 74 26.432 -0.163 -4.787 1.00 0.00 H new ATOM 779 N GLY A 75 24.299 -4.812 -4.931 1.00 0.00 N ATOM 780 CA GLY A 75 23.956 -6.119 -5.475 1.00 0.00 C ATOM 781 C GLY A 75 22.540 -6.521 -5.073 1.00 0.00 C ATOM 782 O GLY A 75 21.823 -5.749 -4.433 1.00 0.00 O ATOM 0 H GLY A 75 23.729 -4.516 -4.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 24.038 -6.098 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 75 24.666 -6.864 -5.116 1.00 0.00 H new ATOM 786 N ASN A 76 22.141 -7.730 -5.460 1.00 0.00 N ATOM 787 CA ASN A 76 20.805 -8.219 -5.142 1.00 0.00 C ATOM 788 C ASN A 76 20.863 -9.221 -3.990 1.00 0.00 C ATOM 789 O ASN A 76 21.906 -9.812 -3.719 1.00 0.00 O ATOM 790 CB ASN A 76 20.193 -8.893 -6.371 1.00 0.00 C ATOM 791 CG ASN A 76 20.423 -8.033 -7.610 1.00 0.00 C ATOM 792 OD1 ASN A 76 20.102 -6.770 -7.590 1.00 0.00 O flip ATOM 793 ND2 ASN A 76 20.929 -8.522 -8.620 1.00 0.00 N flip ATOM 0 H ASN A 76 22.719 -8.383 -5.989 1.00 0.00 H new ATOM 0 HA ASN A 76 20.188 -7.372 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 76 20.638 -9.878 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 76 19.125 -9.045 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 76 21.181 -9.510 -8.637 1.00 0.00 H new ATOM 0 HD22 ASN A 76 21.097 -7.939 -9.440 1.00 0.00 H new ATOM 800 N PHE A 77 19.731 -9.400 -3.323 1.00 0.00 N ATOM 801 CA PHE A 77 19.650 -10.333 -2.202 1.00 0.00 C ATOM 802 C PHE A 77 18.214 -10.787 -1.972 1.00 0.00 C ATOM 803 O PHE A 77 17.267 -10.143 -2.423 1.00 0.00 O ATOM 804 CB PHE A 77 20.204 -9.674 -0.936 1.00 0.00 C ATOM 805 CG PHE A 77 19.564 -8.322 -0.758 1.00 0.00 C ATOM 806 CD1 PHE A 77 18.346 -8.206 -0.084 1.00 0.00 C ATOM 807 CD2 PHE A 77 20.193 -7.185 -1.274 1.00 0.00 C ATOM 808 CE1 PHE A 77 17.755 -6.946 0.075 1.00 0.00 C ATOM 809 CE2 PHE A 77 19.605 -5.927 -1.114 1.00 0.00 C ATOM 810 CZ PHE A 77 18.385 -5.808 -0.440 1.00 0.00 C ATOM 0 H PHE A 77 18.859 -8.915 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 77 20.249 -11.212 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 77 20.003 -10.301 -0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 77 21.286 -9.570 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 77 17.861 -9.085 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 77 21.134 -7.279 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 77 16.813 -6.853 0.595 1.00 0.00 H new ATOM 0 HE2 PHE A 77 20.092 -5.048 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 77 17.929 -4.837 -0.317 1.00 0.00 H new ATOM 820 N LYS A 78 18.061 -11.906 -1.274 1.00 0.00 N ATOM 821 CA LYS A 78 16.737 -12.441 -1.003 1.00 0.00 C ATOM 822 C LYS A 78 15.992 -11.534 -0.032 1.00 0.00 C ATOM 823 O LYS A 78 16.351 -11.439 1.142 1.00 0.00 O ATOM 824 CB LYS A 78 16.851 -13.839 -0.391 1.00 0.00 C ATOM 825 CG LYS A 78 15.551 -14.616 -0.619 1.00 0.00 C ATOM 826 CD LYS A 78 15.506 -15.121 -2.064 1.00 0.00 C ATOM 827 CE LYS A 78 14.292 -16.033 -2.251 1.00 0.00 C ATOM 828 NZ LYS A 78 14.288 -16.575 -3.639 1.00 0.00 N ATOM 0 H LYS A 78 18.830 -12.454 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 78 16.188 -12.496 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.688 -14.374 -0.839 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.056 -13.762 0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.490 -15.456 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.692 -13.976 -0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.450 -14.278 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.421 -15.664 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.323 -16.850 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.373 -15.477 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.463 -17.195 -3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.239 -15.789 -4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 15.159 -17.120 -3.802 1.00 0.00 H new ATOM 842 N PHE A 79 14.954 -10.878 -0.531 1.00 0.00 N ATOM 843 CA PHE A 79 14.154 -9.982 0.296 1.00 0.00 C ATOM 844 C PHE A 79 13.553 -10.737 1.474 1.00 0.00 C ATOM 845 O PHE A 79 13.232 -10.145 2.498 1.00 0.00 O ATOM 846 CB PHE A 79 13.042 -9.352 -0.548 1.00 0.00 C ATOM 847 CG PHE A 79 12.074 -10.423 -0.992 1.00 0.00 C ATOM 848 CD1 PHE A 79 10.884 -10.645 -0.288 1.00 0.00 C ATOM 849 CD2 PHE A 79 12.375 -11.196 -2.114 1.00 0.00 C ATOM 850 CE1 PHE A 79 9.997 -11.643 -0.716 1.00 0.00 C ATOM 851 CE2 PHE A 79 11.495 -12.189 -2.543 1.00 0.00 C ATOM 852 CZ PHE A 79 10.304 -12.415 -1.846 1.00 0.00 C ATOM 0 H PHE A 79 14.646 -10.948 -1.501 1.00 0.00 H new ATOM 0 HA PHE A 79 14.799 -9.194 0.685 1.00 0.00 H new ATOM 0 HB2 PHE A 79 12.518 -8.592 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 79 13.470 -8.852 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.650 -10.049 0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 79 13.295 -11.024 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.078 -11.817 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 79 11.733 -12.783 -3.413 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.621 -13.183 -2.177 1.00 0.00 H new ATOM 862 N ILE A 80 13.402 -12.047 1.322 1.00 0.00 N ATOM 863 CA ILE A 80 12.843 -12.868 2.385 1.00 0.00 C ATOM 864 C ILE A 80 13.798 -12.932 3.575 1.00 0.00 C ATOM 865 O ILE A 80 13.376 -12.932 4.732 1.00 0.00 O ATOM 866 CB ILE A 80 12.577 -14.278 1.863 1.00 0.00 C ATOM 867 CG1 ILE A 80 11.490 -14.217 0.791 1.00 0.00 C ATOM 868 CG2 ILE A 80 12.104 -15.166 3.013 1.00 0.00 C ATOM 869 CD1 ILE A 80 11.393 -15.566 0.078 1.00 0.00 C ATOM 0 H ILE A 80 13.657 -12.560 0.478 1.00 0.00 H new ATOM 0 HA ILE A 80 11.906 -12.418 2.714 1.00 0.00 H new ATOM 0 HB ILE A 80 13.492 -14.691 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.532 -13.965 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.719 -13.430 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.914 -16.173 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 80 12.874 -15.203 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 80 11.187 -14.756 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.617 -15.519 -0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.349 -15.800 -0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.144 -16.343 0.801 1.00 0.00 H new ATOM 881 N TYR A 81 15.090 -13.003 3.272 1.00 0.00 N ATOM 882 CA TYR A 81 16.119 -13.091 4.306 1.00 0.00 C ATOM 883 C TYR A 81 16.337 -11.736 4.971 1.00 0.00 C ATOM 884 O TYR A 81 17.083 -11.624 5.946 1.00 0.00 O ATOM 885 CB TYR A 81 17.431 -13.594 3.689 1.00 0.00 C ATOM 886 CG TYR A 81 17.271 -15.026 3.188 1.00 0.00 C ATOM 887 CD1 TYR A 81 16.072 -15.739 3.396 1.00 0.00 C ATOM 888 CD2 TYR A 81 18.323 -15.638 2.494 1.00 0.00 C ATOM 889 CE1 TYR A 81 15.937 -17.043 2.912 1.00 0.00 C ATOM 890 CE2 TYR A 81 18.181 -16.948 2.015 1.00 0.00 C ATOM 891 CZ TYR A 81 16.987 -17.646 2.224 1.00 0.00 C ATOM 892 OH TYR A 81 16.841 -18.927 1.745 1.00 0.00 O ATOM 0 H TYR A 81 15.451 -13.001 2.318 1.00 0.00 H new ATOM 0 HA TYR A 81 15.786 -13.795 5.069 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.724 -12.945 2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.229 -13.549 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.256 -15.276 3.931 1.00 0.00 H new ATOM 0 HD2 TYR A 81 19.245 -15.100 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.016 -17.584 3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.995 -17.419 1.484 1.00 0.00 H new ATOM 0 HH TYR A 81 17.664 -19.201 1.288 1.00 0.00 H new ATOM 902 N VAL A 82 15.682 -10.705 4.448 1.00 0.00 N ATOM 903 CA VAL A 82 15.813 -9.375 5.006 1.00 0.00 C ATOM 904 C VAL A 82 14.438 -8.805 5.327 1.00 0.00 C ATOM 905 O VAL A 82 13.425 -9.256 4.796 1.00 0.00 O ATOM 906 CB VAL A 82 16.529 -8.472 4.007 1.00 0.00 C ATOM 907 CG1 VAL A 82 15.499 -7.740 3.142 1.00 0.00 C ATOM 908 CG2 VAL A 82 17.386 -7.459 4.765 1.00 0.00 C ATOM 0 H VAL A 82 15.059 -10.769 3.643 1.00 0.00 H new ATOM 0 HA VAL A 82 16.394 -9.428 5.926 1.00 0.00 H new ATOM 0 HB VAL A 82 17.168 -9.075 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.014 -7.096 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.894 -8.468 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 82 14.854 -7.134 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 82 17.899 -6.812 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.749 -6.855 5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.122 -7.987 5.372 1.00 0.00 H new ATOM 918 N ASP A 83 14.408 -7.809 6.198 1.00 0.00 N ATOM 919 CA ASP A 83 13.151 -7.181 6.579 1.00 0.00 C ATOM 920 C ASP A 83 13.238 -5.674 6.368 1.00 0.00 C ATOM 921 O ASP A 83 14.259 -5.056 6.658 1.00 0.00 O ATOM 922 CB ASP A 83 12.827 -7.482 8.043 1.00 0.00 C ATOM 923 CG ASP A 83 11.389 -7.077 8.349 1.00 0.00 C ATOM 924 OD1 ASP A 83 10.710 -6.640 7.435 1.00 0.00 O ATOM 925 OD2 ASP A 83 10.988 -7.208 9.494 1.00 0.00 O ATOM 0 H ASP A 83 15.234 -7.419 6.653 1.00 0.00 H new ATOM 0 HA ASP A 83 12.355 -7.586 5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.966 -8.544 8.244 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.513 -6.942 8.695 1.00 0.00 H new ATOM 930 N VAL A 84 12.163 -5.089 5.864 1.00 0.00 N ATOM 931 CA VAL A 84 12.132 -3.650 5.621 1.00 0.00 C ATOM 932 C VAL A 84 11.798 -2.888 6.899 1.00 0.00 C ATOM 933 O VAL A 84 10.745 -3.093 7.501 1.00 0.00 O ATOM 934 CB VAL A 84 11.102 -3.324 4.534 1.00 0.00 C ATOM 935 CG1 VAL A 84 9.699 -3.774 4.960 1.00 0.00 C ATOM 936 CG2 VAL A 84 11.097 -1.813 4.268 1.00 0.00 C ATOM 0 H VAL A 84 11.305 -5.581 5.616 1.00 0.00 H new ATOM 0 HA VAL A 84 13.121 -3.339 5.285 1.00 0.00 H new ATOM 0 HB VAL A 84 11.377 -3.859 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 84 8.985 -3.532 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.699 -4.850 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.415 -3.260 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.364 -1.582 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.837 -1.283 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 84 12.086 -1.499 3.936 1.00 0.00 H new ATOM 946 N ILE A 85 12.705 -2.005 7.305 1.00 0.00 N ATOM 947 CA ILE A 85 12.499 -1.209 8.508 1.00 0.00 C ATOM 948 C ILE A 85 12.705 0.273 8.213 1.00 0.00 C ATOM 949 O ILE A 85 13.336 0.636 7.219 1.00 0.00 O ATOM 950 CB ILE A 85 13.458 -1.659 9.615 1.00 0.00 C ATOM 951 CG1 ILE A 85 14.904 -1.519 9.134 1.00 0.00 C ATOM 952 CG2 ILE A 85 13.187 -3.124 9.963 1.00 0.00 C ATOM 953 CD1 ILE A 85 15.856 -1.675 10.318 1.00 0.00 C ATOM 0 H ILE A 85 13.585 -1.824 6.821 1.00 0.00 H new ATOM 0 HA ILE A 85 11.473 -1.359 8.845 1.00 0.00 H new ATOM 0 HB ILE A 85 13.304 -1.036 10.496 1.00 0.00 H new ATOM 0 HG12 ILE A 85 15.121 -2.274 8.378 1.00 0.00 H new ATOM 0 HG13 ILE A 85 15.049 -0.546 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 85 13.870 -3.443 10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.159 -3.232 10.308 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.339 -3.742 9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 85 16.885 -1.575 9.973 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.645 -0.904 11.059 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.718 -2.658 10.769 1.00 0.00 H new ATOM 965 N SER A 86 12.170 1.123 9.081 1.00 0.00 N ATOM 966 CA SER A 86 12.302 2.565 8.904 1.00 0.00 C ATOM 967 C SER A 86 13.300 3.135 9.905 1.00 0.00 C ATOM 968 O SER A 86 13.237 2.838 11.098 1.00 0.00 O ATOM 969 CB SER A 86 10.945 3.242 9.093 1.00 0.00 C ATOM 970 OG SER A 86 11.114 4.653 9.039 1.00 0.00 O ATOM 0 H SER A 86 11.644 0.842 9.909 1.00 0.00 H new ATOM 0 HA SER A 86 12.664 2.757 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.252 2.917 8.317 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.511 2.952 10.050 1.00 0.00 H new ATOM 0 HG SER A 86 10.246 5.091 9.158 1.00 0.00 H new ATOM 976 N GLU A 87 14.222 3.955 9.412 1.00 0.00 N ATOM 977 CA GLU A 87 15.229 4.560 10.276 1.00 0.00 C ATOM 978 C GLU A 87 14.654 5.782 10.985 1.00 0.00 C ATOM 979 O GLU A 87 14.404 5.688 12.175 1.00 0.00 O ATOM 980 CB GLU A 87 16.449 4.971 9.445 1.00 0.00 C ATOM 981 CG GLU A 87 17.517 5.583 10.358 1.00 0.00 C ATOM 982 CD GLU A 87 18.009 4.539 11.353 1.00 0.00 C ATOM 983 OE1 GLU A 87 17.801 3.364 11.100 1.00 0.00 O ATOM 984 OE2 GLU A 87 18.591 4.929 12.352 1.00 0.00 O ATOM 0 H GLU A 87 14.293 4.214 8.428 1.00 0.00 H new ATOM 0 HA GLU A 87 15.532 3.828 11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.856 4.103 8.925 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.154 5.691 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.351 5.950 9.761 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.105 6.440 10.891 1.00 0.00 H new