USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 810 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: B 79 MET CE :methyl -147:sc= -0.0823 (180deg=-0.777) USER MOD Set 1.2: B 83 MET CE :methyl 149:sc=-0.00217 (180deg=0) USER MOD Set 2.1: A 79 MET CE :methyl -148:sc= -0.0854 (180deg=-0.772) USER MOD Set 2.2: A 83 MET CE :methyl 150:sc= -0.0157 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -2.24! C(o=-3.5!,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -103:sc= 1.14 USER MOD Single : A 94 THR OG1 : rot 76:sc= 0.849 USER MOD Single : B 53 HIS :FLIP no HD1:sc= -2.12! C(o=-3.4!,f=-2.1!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 85 SER OG : rot -85:sc= 1.11 USER MOD Single : B 94 THR OG1 : rot 66:sc= 0.863 USER MOD ----------------------------------------------------------------- ATOM 41 N ALA A 52 -4.664 -35.495 -3.558 1.00 0.00 N ATOM 42 CA ALA A 52 -4.098 -34.435 -2.731 1.00 0.00 C ATOM 43 C ALA A 52 -3.739 -33.213 -3.575 1.00 0.00 C ATOM 44 O ALA A 52 -4.206 -33.071 -4.706 1.00 0.00 O ATOM 45 CB ALA A 52 -2.874 -34.952 -1.985 1.00 0.00 C ATOM 0 HA ALA A 52 -4.849 -34.128 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.458 -34.154 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.163 -35.788 -1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.124 -35.285 -2.703 1.00 0.00 H new ATOM 51 N HIS A 53 -2.904 -32.340 -3.019 1.00 0.00 N ATOM 52 CA HIS A 53 -2.477 -31.130 -3.716 1.00 0.00 C ATOM 53 C HIS A 53 -3.647 -30.181 -3.953 1.00 0.00 C ATOM 54 O HIS A 53 -4.799 -30.606 -4.039 1.00 0.00 O ATOM 55 CB HIS A 53 -1.817 -31.484 -5.050 1.00 0.00 C ATOM 56 CG HIS A 53 -0.577 -32.310 -4.906 1.00 0.00 C ATOM 57 ND1 HIS A 53 -0.265 -33.534 -5.396 1.00 0.00 N flip ATOM 58 CD2 HIS A 53 0.525 -31.894 -4.189 1.00 0.00 C flip ATOM 59 CE1 HIS A 53 1.006 -33.832 -4.967 1.00 0.00 C flip ATOM 60 NE2 HIS A 53 1.461 -32.825 -4.243 1.00 0.00 N flip ATOM 0 H HIS A 53 -2.508 -32.448 -2.085 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.751 -30.624 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.534 -32.025 -5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.571 -30.564 -5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.610 -30.954 -3.665 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.545 -34.742 -5.186 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.379 -32.775 -3.801 1.00 0.00 H new ATOM 69 N LEU A 54 -3.337 -28.893 -4.058 1.00 0.00 N ATOM 70 CA LEU A 54 -4.347 -27.868 -4.290 1.00 0.00 C ATOM 71 C LEU A 54 -5.319 -27.784 -3.102 1.00 0.00 C ATOM 72 O LEU A 54 -4.883 -27.836 -1.951 1.00 0.00 O ATOM 73 CB LEU A 54 -5.090 -28.150 -5.604 1.00 0.00 C ATOM 74 CG LEU A 54 -4.230 -28.062 -6.868 1.00 0.00 C ATOM 75 CD1 LEU A 54 -3.118 -29.097 -6.835 1.00 0.00 C ATOM 76 CD2 LEU A 54 -5.093 -28.243 -8.108 1.00 0.00 C ATOM 0 H LEU A 54 -2.386 -28.533 -3.985 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.855 -26.900 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.527 -29.147 -5.549 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.916 -27.444 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.772 -27.073 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.519 -29.017 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.484 -28.923 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.552 -30.095 -6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.468 -28.178 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.577 -29.219 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.853 -27.462 -8.140 1.00 0.00 H new ATOM 88 N THR A 55 -6.624 -27.655 -3.385 1.00 0.00 N ATOM 89 CA THR A 55 -7.668 -27.568 -2.353 1.00 0.00 C ATOM 90 C THR A 55 -7.161 -26.970 -1.037 1.00 0.00 C ATOM 91 O THR A 55 -7.304 -25.772 -0.792 1.00 0.00 O ATOM 92 CB THR A 55 -8.275 -28.951 -2.111 1.00 0.00 C ATOM 93 OG1 THR A 55 -8.883 -29.445 -3.292 1.00 0.00 O ATOM 94 CG2 THR A 55 -9.321 -28.968 -1.015 1.00 0.00 C ATOM 0 H THR A 55 -6.986 -27.608 -4.338 1.00 0.00 H new ATOM 0 HA THR A 55 -8.433 -26.888 -2.728 1.00 0.00 H new ATOM 0 HB THR A 55 -7.440 -29.580 -1.801 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.264 -30.331 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.709 -29.980 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.871 -28.641 -0.078 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.137 -28.296 -1.280 1.00 0.00 H new ATOM 102 N GLU A 56 -6.581 -27.815 -0.187 1.00 0.00 N ATOM 103 CA GLU A 56 -6.068 -27.370 1.102 1.00 0.00 C ATOM 104 C GLU A 56 -4.883 -26.424 0.926 1.00 0.00 C ATOM 105 O GLU A 56 -4.954 -25.251 1.291 1.00 0.00 O ATOM 106 CB GLU A 56 -5.654 -28.573 1.951 1.00 0.00 C ATOM 107 CG GLU A 56 -6.608 -28.863 3.100 1.00 0.00 C ATOM 108 CD GLU A 56 -6.465 -27.872 4.238 1.00 0.00 C ATOM 109 OE1 GLU A 56 -5.351 -27.757 4.790 1.00 0.00 O ATOM 110 OE2 GLU A 56 -7.468 -27.208 4.578 1.00 0.00 O ATOM 0 H GLU A 56 -6.456 -28.811 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.865 -26.829 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.590 -29.454 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.656 -28.397 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.633 -28.842 2.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.425 -29.870 3.474 1.00 0.00 H new ATOM 117 N VAL A 57 -3.792 -26.938 0.370 1.00 0.00 N ATOM 118 CA VAL A 57 -2.597 -26.126 0.163 1.00 0.00 C ATOM 119 C VAL A 57 -2.908 -24.891 -0.678 1.00 0.00 C ATOM 120 O VAL A 57 -2.472 -23.780 -0.351 1.00 0.00 O ATOM 121 CB VAL A 57 -1.461 -26.927 -0.497 1.00 0.00 C ATOM 122 CG1 VAL A 57 -0.176 -26.111 -0.498 1.00 0.00 C ATOM 123 CG2 VAL A 57 -1.252 -28.255 0.216 1.00 0.00 C ATOM 0 H VAL A 57 -3.709 -27.905 0.056 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.262 -25.810 1.151 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.741 -27.139 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.621 -26.688 -0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.332 -25.187 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.105 -25.873 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.444 -28.804 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.993 -28.071 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.169 -28.842 0.168 1.00 0.00 H new ATOM 133 N GLU A 58 -3.679 -25.072 -1.753 1.00 0.00 N ATOM 134 CA GLU A 58 -4.047 -23.946 -2.603 1.00 0.00 C ATOM 135 C GLU A 58 -4.713 -22.868 -1.759 1.00 0.00 C ATOM 136 O GLU A 58 -4.344 -21.697 -1.807 1.00 0.00 O ATOM 137 CB GLU A 58 -4.961 -24.401 -3.751 1.00 0.00 C ATOM 138 CG GLU A 58 -6.448 -24.236 -3.480 1.00 0.00 C ATOM 139 CD GLU A 58 -7.305 -24.632 -4.667 1.00 0.00 C ATOM 140 OE1 GLU A 58 -6.800 -25.357 -5.549 1.00 0.00 O ATOM 141 OE2 GLU A 58 -8.482 -24.215 -4.715 1.00 0.00 O ATOM 0 H GLU A 58 -4.054 -25.973 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.146 -23.530 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.704 -23.837 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.758 -25.450 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.726 -24.842 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.653 -23.198 -3.219 1.00 0.00 H new ATOM 148 N SER A 59 -5.672 -23.287 -0.953 1.00 0.00 N ATOM 149 CA SER A 59 -6.362 -22.366 -0.063 1.00 0.00 C ATOM 150 C SER A 59 -5.377 -21.807 0.962 1.00 0.00 C ATOM 151 O SER A 59 -5.630 -20.784 1.593 1.00 0.00 O ATOM 152 CB SER A 59 -7.518 -23.073 0.649 1.00 0.00 C ATOM 153 OG SER A 59 -8.732 -22.910 -0.063 1.00 0.00 O ATOM 0 H SER A 59 -5.991 -24.254 -0.895 1.00 0.00 H new ATOM 0 HA SER A 59 -6.771 -21.546 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.292 -24.134 0.750 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.627 -22.673 1.657 1.00 0.00 H new ATOM 0 HG SER A 59 -9.454 -23.372 0.412 1.00 0.00 H new ATOM 159 N ARG A 60 -4.257 -22.509 1.124 1.00 0.00 N ATOM 160 CA ARG A 60 -3.223 -22.124 2.069 1.00 0.00 C ATOM 161 C ARG A 60 -2.439 -20.912 1.600 1.00 0.00 C ATOM 162 O ARG A 60 -2.603 -19.814 2.139 1.00 0.00 O ATOM 163 CB ARG A 60 -2.262 -23.293 2.294 1.00 0.00 C ATOM 164 CG ARG A 60 -1.621 -23.301 3.673 1.00 0.00 C ATOM 165 CD ARG A 60 -0.197 -23.830 3.623 1.00 0.00 C ATOM 166 NE ARG A 60 0.789 -22.757 3.731 1.00 0.00 N ATOM 167 CZ ARG A 60 2.060 -22.952 4.078 1.00 0.00 C ATOM 168 NH1 ARG A 60 2.504 -24.172 4.347 1.00 0.00 N ATOM 169 NH2 ARG A 60 2.890 -21.919 4.155 1.00 0.00 N ATOM 0 H ARG A 60 -4.046 -23.359 0.602 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.720 -21.859 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.802 -24.229 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.477 -23.257 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.620 -22.290 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.215 -23.917 4.348 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.047 -24.544 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.044 -24.371 2.689 1.00 0.00 H new ATOM 0 HE ARG A 60 0.487 -21.804 3.529 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.871 -24.970 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.479 -24.313 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.554 -20.978 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.864 -22.066 4.421 1.00 0.00 H new ATOM 183 N LEU A 61 -1.570 -21.100 0.608 1.00 0.00 N ATOM 184 CA LEU A 61 -0.775 -19.985 0.127 1.00 0.00 C ATOM 185 C LEU A 61 -1.679 -18.914 -0.459 1.00 0.00 C ATOM 186 O LEU A 61 -1.348 -17.727 -0.450 1.00 0.00 O ATOM 187 CB LEU A 61 0.280 -20.462 -0.862 1.00 0.00 C ATOM 188 CG LEU A 61 1.539 -21.014 -0.191 1.00 0.00 C ATOM 189 CD1 LEU A 61 2.250 -19.920 0.588 1.00 0.00 C ATOM 190 CD2 LEU A 61 1.178 -22.170 0.730 1.00 0.00 C ATOM 0 H LEU A 61 -1.405 -21.989 0.137 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.240 -19.537 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.152 -21.235 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.558 -19.633 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 61 2.214 -21.380 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.143 -20.330 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.534 -19.116 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.583 -19.528 1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.082 -22.555 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.488 -21.821 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.705 -22.963 0.150 1.00 0.00 H new ATOM 202 N GLU A 62 -2.852 -19.335 -0.912 1.00 0.00 N ATOM 203 CA GLU A 62 -3.830 -18.401 -1.435 1.00 0.00 C ATOM 204 C GLU A 62 -4.358 -17.569 -0.275 1.00 0.00 C ATOM 205 O GLU A 62 -4.563 -16.358 -0.402 1.00 0.00 O ATOM 206 CB GLU A 62 -4.971 -19.138 -2.133 1.00 0.00 C ATOM 207 CG GLU A 62 -5.996 -18.214 -2.771 1.00 0.00 C ATOM 208 CD GLU A 62 -7.423 -18.643 -2.492 1.00 0.00 C ATOM 209 OE1 GLU A 62 -7.863 -19.657 -3.073 1.00 0.00 O ATOM 210 OE2 GLU A 62 -8.100 -17.965 -1.690 1.00 0.00 O ATOM 0 H GLU A 62 -3.145 -20.312 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.362 -17.754 -2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.555 -19.790 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.474 -19.779 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.846 -17.200 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.833 -18.186 -3.848 1.00 0.00 H new ATOM 217 N ARG A 63 -4.537 -18.225 0.878 1.00 0.00 N ATOM 218 CA ARG A 63 -4.995 -17.536 2.073 1.00 0.00 C ATOM 219 C ARG A 63 -3.930 -16.539 2.507 1.00 0.00 C ATOM 220 O ARG A 63 -4.237 -15.482 3.059 1.00 0.00 O ATOM 221 CB ARG A 63 -5.284 -18.535 3.198 1.00 0.00 C ATOM 222 CG ARG A 63 -5.579 -17.879 4.540 1.00 0.00 C ATOM 223 CD ARG A 63 -4.427 -18.061 5.517 1.00 0.00 C ATOM 224 NE ARG A 63 -4.613 -19.233 6.369 1.00 0.00 N ATOM 225 CZ ARG A 63 -5.594 -19.355 7.260 1.00 0.00 C ATOM 226 NH1 ARG A 63 -6.480 -18.378 7.420 1.00 0.00 N ATOM 227 NH2 ARG A 63 -5.692 -20.455 7.993 1.00 0.00 N ATOM 0 H ARG A 63 -4.371 -19.224 1.001 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.922 -17.007 1.852 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.134 -19.154 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.428 -19.200 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.767 -16.816 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.487 -18.308 4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.494 -18.160 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.335 -17.171 6.139 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.952 -20.004 6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.410 -17.529 6.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.230 -18.477 8.104 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.015 -21.209 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.444 -20.548 8.676 1.00 0.00 H new ATOM 241 N LEU A 64 -2.673 -16.875 2.217 1.00 0.00 N ATOM 242 CA LEU A 64 -1.557 -15.999 2.541 1.00 0.00 C ATOM 243 C LEU A 64 -1.548 -14.815 1.585 1.00 0.00 C ATOM 244 O LEU A 64 -1.104 -13.718 1.924 1.00 0.00 O ATOM 245 CB LEU A 64 -0.233 -16.767 2.465 1.00 0.00 C ATOM 246 CG LEU A 64 1.031 -15.899 2.421 1.00 0.00 C ATOM 247 CD1 LEU A 64 2.027 -16.346 3.480 1.00 0.00 C ATOM 248 CD2 LEU A 64 1.663 -15.951 1.036 1.00 0.00 C ATOM 0 H LEU A 64 -2.407 -17.747 1.759 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.674 -15.631 3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.168 -17.430 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.250 -17.399 1.577 1.00 0.00 H new ATOM 0 HG LEU A 64 0.748 -14.868 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.916 -15.717 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.573 -16.257 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.307 -17.384 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.559 -15.330 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.931 -16.980 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.952 -15.580 0.298 1.00 0.00 H new ATOM 260 N GLU A 65 -2.067 -15.058 0.394 1.00 0.00 N ATOM 261 CA GLU A 65 -2.161 -14.036 -0.638 1.00 0.00 C ATOM 262 C GLU A 65 -3.262 -13.041 -0.293 1.00 0.00 C ATOM 263 O GLU A 65 -3.168 -11.856 -0.614 1.00 0.00 O ATOM 264 CB GLU A 65 -2.451 -14.677 -1.997 1.00 0.00 C ATOM 265 CG GLU A 65 -2.553 -13.677 -3.137 1.00 0.00 C ATOM 266 CD GLU A 65 -3.986 -13.300 -3.457 1.00 0.00 C ATOM 267 OE1 GLU A 65 -4.621 -12.617 -2.625 1.00 0.00 O ATOM 268 OE2 GLU A 65 -4.474 -13.686 -4.540 1.00 0.00 O ATOM 0 H GLU A 65 -2.435 -15.967 0.114 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.208 -13.510 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.663 -15.395 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.384 -15.237 -1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.994 -12.778 -2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.085 -14.097 -4.027 1.00 0.00 H new ATOM 275 N GLN A 66 -4.304 -13.534 0.373 1.00 0.00 N ATOM 276 CA GLN A 66 -5.423 -12.692 0.773 1.00 0.00 C ATOM 277 C GLN A 66 -5.075 -11.882 2.022 1.00 0.00 C ATOM 278 O GLN A 66 -5.670 -10.836 2.280 1.00 0.00 O ATOM 279 CB GLN A 66 -6.666 -13.548 1.034 1.00 0.00 C ATOM 280 CG GLN A 66 -7.796 -13.293 0.051 1.00 0.00 C ATOM 281 CD GLN A 66 -8.877 -12.397 0.624 1.00 0.00 C ATOM 282 OE1 GLN A 66 -9.948 -12.866 1.010 1.00 0.00 O ATOM 283 NE2 GLN A 66 -8.601 -11.099 0.682 1.00 0.00 N ATOM 0 H GLN A 66 -4.394 -14.513 0.646 1.00 0.00 H new ATOM 0 HA GLN A 66 -5.634 -11.998 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.388 -14.601 0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.024 -13.355 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.391 -12.836 -0.852 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.237 -14.245 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.700 -10.754 0.351 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.290 -10.447 1.058 1.00 0.00 H new ATOM 292 N LEU A 67 -4.107 -12.374 2.792 1.00 0.00 N ATOM 293 CA LEU A 67 -3.679 -11.699 4.010 1.00 0.00 C ATOM 294 C LEU A 67 -2.675 -10.590 3.703 1.00 0.00 C ATOM 295 O LEU A 67 -2.509 -9.658 4.488 1.00 0.00 O ATOM 296 CB LEU A 67 -3.062 -12.704 4.984 1.00 0.00 C ATOM 297 CG LEU A 67 -3.157 -12.320 6.463 1.00 0.00 C ATOM 298 CD1 LEU A 67 -4.314 -13.045 7.131 1.00 0.00 C ATOM 299 CD2 LEU A 67 -1.849 -12.626 7.179 1.00 0.00 C ATOM 0 H LEU A 67 -3.605 -13.239 2.592 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.558 -11.247 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.550 -13.669 4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.011 -12.838 4.726 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.342 -11.248 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.365 -12.759 8.182 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.247 -12.775 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.161 -14.122 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.935 -12.347 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.634 -13.692 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.040 -12.059 6.718 1.00 0.00 H new ATOM 311 N PHE A 68 -2.005 -10.701 2.557 1.00 0.00 N ATOM 312 CA PHE A 68 -1.016 -9.709 2.150 1.00 0.00 C ATOM 313 C PHE A 68 0.158 -9.677 3.124 1.00 0.00 C ATOM 314 O PHE A 68 0.149 -10.367 4.143 1.00 0.00 O ATOM 315 CB PHE A 68 -1.658 -8.322 2.058 1.00 0.00 C ATOM 316 CG PHE A 68 -2.786 -8.246 1.069 1.00 0.00 C ATOM 317 CD1 PHE A 68 -4.046 -8.719 1.398 1.00 0.00 C ATOM 318 CD2 PHE A 68 -2.584 -7.706 -0.190 1.00 0.00 C ATOM 319 CE1 PHE A 68 -5.086 -8.653 0.489 1.00 0.00 C ATOM 320 CE2 PHE A 68 -3.620 -7.636 -1.104 1.00 0.00 C ATOM 321 CZ PHE A 68 -4.871 -8.110 -0.764 1.00 0.00 C ATOM 0 H PHE A 68 -2.130 -11.468 1.896 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.640 -9.992 1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.029 -8.037 3.042 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.894 -7.595 1.782 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.218 -9.144 2.376 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.607 -7.335 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.064 -9.025 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.450 -7.211 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.681 -8.057 -1.476 1.00 0.00 H new ATOM 331 N LEU A 69 1.166 -8.871 2.804 1.00 0.00 N ATOM 332 CA LEU A 69 2.346 -8.752 3.653 1.00 0.00 C ATOM 333 C LEU A 69 2.667 -7.288 3.940 1.00 0.00 C ATOM 334 O LEU A 69 2.562 -6.831 5.078 1.00 0.00 O ATOM 335 CB LEU A 69 3.548 -9.429 2.991 1.00 0.00 C ATOM 336 CG LEU A 69 4.656 -9.863 3.952 1.00 0.00 C ATOM 337 CD1 LEU A 69 4.451 -11.306 4.386 1.00 0.00 C ATOM 338 CD2 LEU A 69 6.022 -9.688 3.307 1.00 0.00 C ATOM 0 H LEU A 69 1.189 -8.292 1.965 1.00 0.00 H new ATOM 0 HA LEU A 69 2.132 -9.250 4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.197 -10.305 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.972 -8.745 2.256 1.00 0.00 H new ATOM 0 HG LEU A 69 4.611 -9.228 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.249 -11.597 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.489 -11.401 4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.468 -11.955 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.797 -10.002 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.079 -10.297 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.170 -8.640 3.048 1.00 0.00 H new ATOM 350 N LEU A 70 3.061 -6.558 2.901 1.00 0.00 N ATOM 351 CA LEU A 70 3.398 -5.147 3.044 1.00 0.00 C ATOM 352 C LEU A 70 2.575 -4.289 2.086 1.00 0.00 C ATOM 353 O LEU A 70 3.110 -3.421 1.396 1.00 0.00 O ATOM 354 CB LEU A 70 4.893 -4.931 2.793 1.00 0.00 C ATOM 355 CG LEU A 70 5.813 -5.431 3.906 1.00 0.00 C ATOM 356 CD1 LEU A 70 7.236 -5.590 3.390 1.00 0.00 C ATOM 357 CD2 LEU A 70 5.778 -4.480 5.093 1.00 0.00 C ATOM 0 H LEU A 70 3.154 -6.920 1.952 1.00 0.00 H new ATOM 0 HA LEU A 70 3.162 -4.843 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.166 -5.431 1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.071 -3.866 2.646 1.00 0.00 H new ATOM 0 HG LEU A 70 5.456 -6.407 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.877 -5.947 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.248 -6.309 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.603 -4.628 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.439 -4.851 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.110 -3.491 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.760 -4.415 5.477 1.00 0.00 H new ATOM 369 N ILE A 71 1.271 -4.538 2.050 1.00 0.00 N ATOM 370 CA ILE A 71 0.372 -3.789 1.180 1.00 0.00 C ATOM 371 C ILE A 71 -0.811 -3.232 1.963 1.00 0.00 C ATOM 372 O ILE A 71 -1.039 -2.022 1.985 1.00 0.00 O ATOM 373 CB ILE A 71 -0.156 -4.668 0.029 1.00 0.00 C ATOM 374 CG1 ILE A 71 1.005 -5.366 -0.687 1.00 0.00 C ATOM 375 CG2 ILE A 71 -0.963 -3.829 -0.952 1.00 0.00 C ATOM 376 CD1 ILE A 71 0.824 -6.863 -0.808 1.00 0.00 C ATOM 0 H ILE A 71 0.812 -5.254 2.614 1.00 0.00 H new ATOM 0 HA ILE A 71 0.949 -2.964 0.762 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.810 -5.432 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.116 -4.939 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.930 -5.162 -0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.329 -4.464 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.809 -3.377 -0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.330 -3.044 -1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.682 -7.293 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.743 -7.301 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.083 -7.075 -1.373 1.00 0.00 H new ATOM 388 N PHE A 72 -1.561 -4.122 2.605 1.00 0.00 N ATOM 389 CA PHE A 72 -2.722 -3.720 3.391 1.00 0.00 C ATOM 390 C PHE A 72 -2.496 -3.996 4.877 1.00 0.00 C ATOM 391 O PHE A 72 -2.611 -5.138 5.324 1.00 0.00 O ATOM 392 CB PHE A 72 -3.971 -4.461 2.910 1.00 0.00 C ATOM 393 CG PHE A 72 -4.739 -3.720 1.851 1.00 0.00 C ATOM 394 CD1 PHE A 72 -5.368 -2.522 2.146 1.00 0.00 C ATOM 395 CD2 PHE A 72 -4.831 -4.222 0.564 1.00 0.00 C ATOM 396 CE1 PHE A 72 -6.076 -1.837 1.176 1.00 0.00 C ATOM 397 CE2 PHE A 72 -5.538 -3.544 -0.412 1.00 0.00 C ATOM 398 CZ PHE A 72 -6.160 -2.350 -0.105 1.00 0.00 C ATOM 0 H PHE A 72 -1.385 -5.127 2.596 1.00 0.00 H new ATOM 0 HA PHE A 72 -2.867 -2.648 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.678 -5.435 2.520 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.626 -4.643 3.762 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.305 -2.118 3.146 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -4.345 -5.155 0.319 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.562 -0.904 1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.604 -3.947 -1.412 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.712 -1.817 -0.865 1.00 0.00 H new ATOM 408 N PRO A 73 -2.167 -2.956 5.666 1.00 0.00 N ATOM 409 CA PRO A 73 -1.925 -3.107 7.105 1.00 0.00 C ATOM 410 C PRO A 73 -3.183 -3.515 7.865 1.00 0.00 C ATOM 411 O PRO A 73 -3.171 -4.478 8.631 1.00 0.00 O ATOM 412 CB PRO A 73 -1.461 -1.716 7.544 1.00 0.00 C ATOM 413 CG PRO A 73 -1.994 -0.786 6.511 1.00 0.00 C ATOM 414 CD PRO A 73 -2.005 -1.559 5.223 1.00 0.00 C ATOM 0 HA PRO A 73 -1.199 -3.894 7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.843 -1.467 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.374 -1.662 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.997 -0.447 6.771 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.369 0.103 6.427 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.822 -1.246 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.081 -1.420 4.662 1.00 0.00 H new ATOM 422 N ARG A 74 -4.266 -2.777 7.649 1.00 0.00 N ATOM 423 CA ARG A 74 -5.531 -3.064 8.315 1.00 0.00 C ATOM 424 C ARG A 74 -6.620 -2.106 7.845 1.00 0.00 C ATOM 425 O ARG A 74 -7.692 -2.531 7.415 1.00 0.00 O ATOM 426 CB ARG A 74 -5.368 -2.968 9.833 1.00 0.00 C ATOM 427 CG ARG A 74 -4.565 -1.759 10.287 1.00 0.00 C ATOM 428 CD ARG A 74 -4.044 -1.931 11.705 1.00 0.00 C ATOM 429 NE ARG A 74 -5.069 -2.451 12.609 1.00 0.00 N ATOM 430 CZ ARG A 74 -5.232 -3.743 12.891 1.00 0.00 C ATOM 431 NH1 ARG A 74 -4.444 -4.659 12.340 1.00 0.00 N ATOM 432 NH2 ARG A 74 -6.186 -4.121 13.730 1.00 0.00 N ATOM 0 H ARG A 74 -4.293 -1.976 7.018 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.828 -4.080 8.055 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.355 -2.931 10.294 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.881 -3.873 10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.727 -1.603 9.608 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.189 -0.867 10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.191 -2.609 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.686 -0.972 12.078 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.699 -1.782 13.052 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.706 -4.376 11.695 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.576 -5.646 12.562 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.794 -3.423 14.159 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.312 -5.110 13.947 1.00 0.00 H new ATOM 446 N GLU A 75 -6.338 -0.809 7.929 1.00 0.00 N ATOM 447 CA GLU A 75 -7.294 0.209 7.511 1.00 0.00 C ATOM 448 C GLU A 75 -6.688 1.605 7.618 1.00 0.00 C ATOM 449 O GLU A 75 -6.320 2.050 8.704 1.00 0.00 O ATOM 450 CB GLU A 75 -8.564 0.126 8.362 1.00 0.00 C ATOM 451 CG GLU A 75 -8.319 0.356 9.845 1.00 0.00 C ATOM 452 CD GLU A 75 -9.031 1.587 10.371 1.00 0.00 C ATOM 453 OE1 GLU A 75 -10.263 1.521 10.570 1.00 0.00 O ATOM 454 OE2 GLU A 75 -8.357 2.616 10.586 1.00 0.00 O ATOM 0 H GLU A 75 -5.456 -0.439 8.283 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.549 0.023 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.281 0.864 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.019 -0.855 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.652 -0.518 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.248 0.458 10.021 1.00 0.00 H new ATOM 461 N ASP A 76 -6.587 2.289 6.481 1.00 0.00 N ATOM 462 CA ASP A 76 -6.024 3.634 6.447 1.00 0.00 C ATOM 463 C ASP A 76 -6.475 4.381 5.194 1.00 0.00 C ATOM 464 O ASP A 76 -7.173 5.390 5.278 1.00 0.00 O ATOM 465 CB ASP A 76 -4.496 3.573 6.496 1.00 0.00 C ATOM 466 CG ASP A 76 -3.975 3.186 7.866 1.00 0.00 C ATOM 467 OD1 ASP A 76 -4.269 3.913 8.839 1.00 0.00 O ATOM 468 OD2 ASP A 76 -3.277 2.157 7.966 1.00 0.00 O ATOM 0 H ASP A 76 -6.887 1.934 5.573 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.387 4.174 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.140 2.853 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.087 4.544 6.216 1.00 0.00 H new ATOM 473 N LEU A 77 -6.068 3.875 4.032 1.00 0.00 N ATOM 474 CA LEU A 77 -6.428 4.487 2.753 1.00 0.00 C ATOM 475 C LEU A 77 -5.632 5.769 2.502 1.00 0.00 C ATOM 476 O LEU A 77 -5.878 6.475 1.525 1.00 0.00 O ATOM 477 CB LEU A 77 -7.929 4.790 2.705 1.00 0.00 C ATOM 478 CG LEU A 77 -8.831 3.688 3.267 1.00 0.00 C ATOM 479 CD1 LEU A 77 -9.938 4.286 4.121 1.00 0.00 C ATOM 480 CD2 LEU A 77 -9.418 2.853 2.137 1.00 0.00 C ATOM 0 H LEU A 77 -5.487 3.041 3.949 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.181 3.773 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.116 5.710 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.213 4.978 1.670 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.226 3.037 3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.568 3.487 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.499 4.840 4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.542 4.961 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.057 2.074 2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.007 3.493 1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.611 2.393 1.567 1.00 0.00 H new ATOM 492 N ASP A 78 -4.681 6.068 3.385 1.00 0.00 N ATOM 493 CA ASP A 78 -3.862 7.268 3.244 1.00 0.00 C ATOM 494 C ASP A 78 -2.375 6.947 3.389 1.00 0.00 C ATOM 495 O ASP A 78 -1.533 7.570 2.744 1.00 0.00 O ATOM 496 CB ASP A 78 -4.272 8.312 4.284 1.00 0.00 C ATOM 497 CG ASP A 78 -4.142 9.729 3.762 1.00 0.00 C ATOM 498 OD1 ASP A 78 -3.033 10.298 3.858 1.00 0.00 O ATOM 499 OD2 ASP A 78 -5.148 10.270 3.256 1.00 0.00 O ATOM 0 H ASP A 78 -4.460 5.498 4.202 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.027 7.669 2.244 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.303 8.133 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.653 8.197 5.174 1.00 0.00 H new ATOM 504 N MET A 79 -2.058 5.976 4.241 1.00 0.00 N ATOM 505 CA MET A 79 -0.673 5.578 4.470 1.00 0.00 C ATOM 506 C MET A 79 0.008 5.162 3.168 1.00 0.00 C ATOM 507 O MET A 79 1.223 5.287 3.027 1.00 0.00 O ATOM 508 CB MET A 79 -0.611 4.430 5.479 1.00 0.00 C ATOM 509 CG MET A 79 -0.470 4.892 6.921 1.00 0.00 C ATOM 510 SD MET A 79 0.983 4.202 7.738 1.00 0.00 S ATOM 511 CE MET A 79 2.295 5.066 6.879 1.00 0.00 C ATOM 0 H MET A 79 -2.742 5.450 4.784 1.00 0.00 H new ATOM 0 HA MET A 79 -0.141 6.440 4.872 1.00 0.00 H new ATOM 0 HB2 MET A 79 -1.514 3.827 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.231 3.784 5.230 1.00 0.00 H new ATOM 0 HG2 MET A 79 -0.412 5.980 6.945 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.363 4.608 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 79 3.173 4.423 6.815 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.962 5.326 5.874 1.00 0.00 H new ATOM 0 HE3 MET A 79 2.549 5.975 7.424 1.00 0.00 H new ATOM 521 N ILE A 80 -0.784 4.669 2.220 1.00 0.00 N ATOM 522 CA ILE A 80 -0.251 4.237 0.933 1.00 0.00 C ATOM 523 C ILE A 80 0.313 5.419 0.150 1.00 0.00 C ATOM 524 O ILE A 80 1.515 5.491 -0.104 1.00 0.00 O ATOM 525 CB ILE A 80 -1.330 3.537 0.083 1.00 0.00 C ATOM 526 CG1 ILE A 80 -2.026 2.446 0.899 1.00 0.00 C ATOM 527 CG2 ILE A 80 -0.714 2.951 -1.180 1.00 0.00 C ATOM 528 CD1 ILE A 80 -1.077 1.409 1.456 1.00 0.00 C ATOM 0 H ILE A 80 -1.793 4.559 2.319 1.00 0.00 H new ATOM 0 HA ILE A 80 0.549 3.527 1.142 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.076 4.276 -0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.568 2.910 1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.765 1.950 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.489 2.460 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.262 3.749 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.050 2.223 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.640 0.668 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.553 0.918 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.353 1.893 2.111 1.00 0.00 H new ATOM 540 N LEU A 81 -0.564 6.342 -0.228 1.00 0.00 N ATOM 541 CA LEU A 81 -0.155 7.523 -0.980 1.00 0.00 C ATOM 542 C LEU A 81 0.810 8.385 -0.167 1.00 0.00 C ATOM 543 O LEU A 81 1.529 9.216 -0.721 1.00 0.00 O ATOM 544 CB LEU A 81 -1.378 8.350 -1.382 1.00 0.00 C ATOM 545 CG LEU A 81 -2.432 8.525 -0.284 1.00 0.00 C ATOM 546 CD1 LEU A 81 -2.951 9.954 -0.265 1.00 0.00 C ATOM 547 CD2 LEU A 81 -3.576 7.542 -0.484 1.00 0.00 C ATOM 0 H LEU A 81 -1.563 6.296 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 81 0.359 7.185 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.042 9.336 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.849 7.879 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.965 8.318 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.699 10.059 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.125 10.639 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.402 10.190 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.316 7.680 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.042 7.718 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.191 6.523 -0.446 1.00 0.00 H new ATOM 559 N LYS A 82 0.822 8.179 1.147 1.00 0.00 N ATOM 560 CA LYS A 82 1.702 8.936 2.031 1.00 0.00 C ATOM 561 C LYS A 82 3.111 8.355 2.014 1.00 0.00 C ATOM 562 O LYS A 82 4.094 9.080 2.165 1.00 0.00 O ATOM 563 CB LYS A 82 1.153 8.933 3.459 1.00 0.00 C ATOM 564 CG LYS A 82 0.106 10.005 3.712 1.00 0.00 C ATOM 565 CD LYS A 82 -0.316 10.035 5.171 1.00 0.00 C ATOM 566 CE LYS A 82 -0.977 11.356 5.533 1.00 0.00 C ATOM 567 NZ LYS A 82 -1.994 11.193 6.607 1.00 0.00 N ATOM 0 H LYS A 82 0.233 7.495 1.622 1.00 0.00 H new ATOM 0 HA LYS A 82 1.745 9.964 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.718 7.956 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.979 9.072 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.504 10.979 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.765 9.820 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.007 9.215 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.556 9.877 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.216 12.065 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.450 11.780 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.421 12.116 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.734 10.536 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.539 10.813 7.461 1.00 0.00 H new ATOM 581 N MET A 83 3.200 7.043 1.824 1.00 0.00 N ATOM 582 CA MET A 83 4.487 6.361 1.783 1.00 0.00 C ATOM 583 C MET A 83 5.046 6.333 0.362 1.00 0.00 C ATOM 584 O MET A 83 6.241 6.114 0.163 1.00 0.00 O ATOM 585 CB MET A 83 4.347 4.933 2.316 1.00 0.00 C ATOM 586 CG MET A 83 4.591 4.815 3.812 1.00 0.00 C ATOM 587 SD MET A 83 5.532 3.339 4.249 1.00 0.00 S ATOM 588 CE MET A 83 4.241 2.305 4.934 1.00 0.00 C ATOM 0 H MET A 83 2.395 6.430 1.696 1.00 0.00 H new ATOM 0 HA MET A 83 5.182 6.913 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.346 4.566 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.050 4.287 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.126 5.699 4.160 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.633 4.798 4.332 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.484 1.257 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.160 2.486 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.292 2.541 4.453 1.00 0.00 H new ATOM 598 N ASP A 84 4.178 6.558 -0.621 1.00 0.00 N ATOM 599 CA ASP A 84 4.591 6.559 -2.019 1.00 0.00 C ATOM 600 C ASP A 84 4.915 7.973 -2.488 1.00 0.00 C ATOM 601 O ASP A 84 5.877 8.190 -3.224 1.00 0.00 O ATOM 602 CB ASP A 84 3.494 5.956 -2.897 1.00 0.00 C ATOM 603 CG ASP A 84 3.535 4.440 -2.913 1.00 0.00 C ATOM 604 OD1 ASP A 84 4.417 3.877 -3.595 1.00 0.00 O ATOM 605 OD2 ASP A 84 2.684 3.816 -2.244 1.00 0.00 O ATOM 0 H ASP A 84 3.185 6.742 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 84 5.491 5.951 -2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.520 6.287 -2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.600 6.331 -3.915 1.00 0.00 H new ATOM 610 N SER A 85 4.102 8.934 -2.057 1.00 0.00 N ATOM 611 CA SER A 85 4.301 10.329 -2.432 1.00 0.00 C ATOM 612 C SER A 85 5.224 11.033 -1.442 1.00 0.00 C ATOM 613 O SER A 85 5.125 10.829 -0.233 1.00 0.00 O ATOM 614 CB SER A 85 2.958 11.057 -2.502 1.00 0.00 C ATOM 615 OG SER A 85 2.521 11.448 -1.211 1.00 0.00 O ATOM 0 H SER A 85 3.300 8.771 -1.448 1.00 0.00 H new ATOM 0 HA SER A 85 4.770 10.351 -3.416 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.050 11.936 -3.140 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.212 10.408 -2.960 1.00 0.00 H new ATOM 0 HG SER A 85 1.813 10.842 -0.908 1.00 0.00 H new ATOM 621 N LEU A 86 6.120 11.863 -1.966 1.00 0.00 N ATOM 622 CA LEU A 86 7.060 12.600 -1.128 1.00 0.00 C ATOM 623 C LEU A 86 6.528 13.994 -0.799 1.00 0.00 C ATOM 624 O LEU A 86 7.288 14.876 -0.399 1.00 0.00 O ATOM 625 CB LEU A 86 8.420 12.708 -1.825 1.00 0.00 C ATOM 626 CG LEU A 86 9.528 11.849 -1.215 1.00 0.00 C ATOM 627 CD1 LEU A 86 9.705 12.175 0.260 1.00 0.00 C ATOM 628 CD2 LEU A 86 9.221 10.371 -1.403 1.00 0.00 C ATOM 0 H LEU A 86 6.215 12.042 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 86 7.180 12.052 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.298 12.428 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.738 13.750 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 86 10.462 12.074 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.498 11.554 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.971 13.226 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.773 11.979 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.020 9.775 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.277 10.130 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.146 10.148 -2.467 1.00 0.00 H new ATOM 640 N ARG A 87 5.222 14.187 -0.970 1.00 0.00 N ATOM 641 CA ARG A 87 4.599 15.475 -0.686 1.00 0.00 C ATOM 642 C ARG A 87 5.222 16.585 -1.528 1.00 0.00 C ATOM 643 O ARG A 87 5.156 17.758 -1.167 1.00 0.00 O ATOM 644 CB ARG A 87 4.730 15.807 0.801 1.00 0.00 C ATOM 645 CG ARG A 87 4.404 14.633 1.712 1.00 0.00 C ATOM 646 CD ARG A 87 4.481 15.024 3.180 1.00 0.00 C ATOM 647 NE ARG A 87 3.304 14.584 3.924 1.00 0.00 N ATOM 648 CZ ARG A 87 3.276 14.433 5.246 1.00 0.00 C ATOM 649 NH1 ARG A 87 4.356 14.690 5.974 1.00 0.00 N ATOM 650 NH2 ARG A 87 2.164 14.027 5.843 1.00 0.00 N ATOM 0 H ARG A 87 4.578 13.470 -1.303 1.00 0.00 H new ATOM 0 HA ARG A 87 3.543 15.405 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.747 16.143 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.067 16.638 1.040 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.404 14.263 1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.098 13.816 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.375 14.588 3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.579 16.106 3.263 1.00 0.00 H new ATOM 0 HE ARG A 87 2.453 14.380 3.400 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.214 15.005 5.521 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.328 14.572 6.987 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.330 13.830 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.142 13.911 6.856 1.00 0.00 H new ATOM 664 N ASP A 88 5.821 16.211 -2.655 1.00 0.00 N ATOM 665 CA ASP A 88 6.442 17.185 -3.548 1.00 0.00 C ATOM 666 C ASP A 88 5.383 17.979 -4.311 1.00 0.00 C ATOM 667 O ASP A 88 5.685 18.993 -4.941 1.00 0.00 O ATOM 668 CB ASP A 88 7.378 16.480 -4.532 1.00 0.00 C ATOM 669 CG ASP A 88 8.678 17.235 -4.736 1.00 0.00 C ATOM 670 OD1 ASP A 88 9.304 17.622 -3.728 1.00 0.00 O ATOM 671 OD2 ASP A 88 9.068 17.439 -5.905 1.00 0.00 O ATOM 0 H ASP A 88 5.890 15.244 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 88 7.022 17.880 -2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.597 15.477 -4.166 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.873 16.366 -5.491 1.00 0.00 H new ATOM 676 N ILE A 89 4.135 17.518 -4.230 1.00 0.00 N ATOM 677 CA ILE A 89 3.024 18.180 -4.893 1.00 0.00 C ATOM 678 C ILE A 89 2.374 19.147 -3.925 1.00 0.00 C ATOM 679 O ILE A 89 2.201 20.329 -4.225 1.00 0.00 O ATOM 680 CB ILE A 89 1.972 17.168 -5.391 1.00 0.00 C ATOM 681 CG1 ILE A 89 2.620 16.155 -6.336 1.00 0.00 C ATOM 682 CG2 ILE A 89 0.824 17.886 -6.084 1.00 0.00 C ATOM 683 CD1 ILE A 89 3.561 15.196 -5.644 1.00 0.00 C ATOM 0 H ILE A 89 3.872 16.683 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 89 3.414 18.712 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 89 1.569 16.634 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.837 15.585 -6.836 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.167 16.692 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.092 17.155 -6.428 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.349 18.573 -5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.207 18.445 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.983 14.508 -6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.365 15.756 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.015 14.632 -4.888 1.00 0.00 H new ATOM 695 N GLU A 90 2.055 18.641 -2.742 1.00 0.00 N ATOM 696 CA GLU A 90 1.472 19.460 -1.699 1.00 0.00 C ATOM 697 C GLU A 90 2.489 20.513 -1.270 1.00 0.00 C ATOM 698 O GLU A 90 2.137 21.553 -0.719 1.00 0.00 O ATOM 699 CB GLU A 90 1.064 18.590 -0.505 1.00 0.00 C ATOM 700 CG GLU A 90 0.604 19.386 0.707 1.00 0.00 C ATOM 701 CD GLU A 90 1.551 19.256 1.884 1.00 0.00 C ATOM 702 OE1 GLU A 90 1.466 18.239 2.604 1.00 0.00 O ATOM 703 OE2 GLU A 90 2.376 20.172 2.085 1.00 0.00 O ATOM 0 H GLU A 90 2.192 17.664 -2.484 1.00 0.00 H new ATOM 0 HA GLU A 90 0.577 19.953 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.262 17.920 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.909 17.965 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.513 20.437 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.388 19.047 1.005 1.00 0.00 H new ATOM 710 N ALA A 91 3.763 20.226 -1.547 1.00 0.00 N ATOM 711 CA ALA A 91 4.851 21.131 -1.215 1.00 0.00 C ATOM 712 C ALA A 91 5.093 22.104 -2.360 1.00 0.00 C ATOM 713 O ALA A 91 5.161 23.315 -2.153 1.00 0.00 O ATOM 714 CB ALA A 91 6.116 20.346 -0.908 1.00 0.00 C ATOM 0 H ALA A 91 4.062 19.365 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 91 4.574 21.700 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.922 21.037 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.936 19.682 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.398 19.756 -1.780 1.00 0.00 H new ATOM 720 N LEU A 92 5.197 21.570 -3.575 1.00 0.00 N ATOM 721 CA LEU A 92 5.402 22.409 -4.751 1.00 0.00 C ATOM 722 C LEU A 92 4.279 23.437 -4.854 1.00 0.00 C ATOM 723 O LEU A 92 4.449 24.511 -5.429 1.00 0.00 O ATOM 724 CB LEU A 92 5.451 21.560 -6.022 1.00 0.00 C ATOM 725 CG LEU A 92 6.833 21.011 -6.383 1.00 0.00 C ATOM 726 CD1 LEU A 92 6.711 19.882 -7.397 1.00 0.00 C ATOM 727 CD2 LEU A 92 7.722 22.122 -6.920 1.00 0.00 C ATOM 0 H LEU A 92 5.143 20.570 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 92 6.356 22.925 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.763 20.722 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.087 22.160 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 92 7.293 20.610 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.704 19.504 -7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.110 19.077 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.232 20.256 -8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.701 21.715 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.267 22.552 -7.812 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.835 22.896 -6.161 1.00 0.00 H new ATOM 739 N LEU A 93 3.132 23.093 -4.270 1.00 0.00 N ATOM 740 CA LEU A 93 1.977 23.975 -4.269 1.00 0.00 C ATOM 741 C LEU A 93 1.952 24.808 -2.995 1.00 0.00 C ATOM 742 O LEU A 93 1.577 25.979 -3.015 1.00 0.00 O ATOM 743 CB LEU A 93 0.686 23.157 -4.388 1.00 0.00 C ATOM 744 CG LEU A 93 0.024 23.185 -5.767 1.00 0.00 C ATOM 745 CD1 LEU A 93 -0.483 21.802 -6.145 1.00 0.00 C ATOM 746 CD2 LEU A 93 -1.112 24.197 -5.792 1.00 0.00 C ATOM 0 H LEU A 93 2.983 22.205 -3.791 1.00 0.00 H new ATOM 0 HA LEU A 93 2.049 24.645 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.905 22.121 -4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.028 23.526 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 93 0.771 23.488 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.951 21.842 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.352 21.102 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.215 21.469 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.572 24.204 -6.780 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.859 23.924 -5.046 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.720 25.189 -5.567 1.00 0.00 H new ATOM 758 N THR A 94 2.361 24.201 -1.884 1.00 0.00 N ATOM 759 CA THR A 94 2.387 24.907 -0.608 1.00 0.00 C ATOM 760 C THR A 94 3.415 26.040 -0.631 1.00 0.00 C ATOM 761 O THR A 94 3.398 26.917 0.232 1.00 0.00 O ATOM 762 CB THR A 94 2.688 23.929 0.538 1.00 0.00 C ATOM 763 OG1 THR A 94 1.518 23.223 0.910 1.00 0.00 O ATOM 764 CG2 THR A 94 3.230 24.595 1.787 1.00 0.00 C ATOM 0 H THR A 94 2.676 23.232 -1.842 1.00 0.00 H new ATOM 0 HA THR A 94 1.404 25.347 -0.441 1.00 0.00 H new ATOM 0 HB THR A 94 3.455 23.262 0.144 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.328 22.530 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.417 23.840 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.161 25.110 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.502 25.315 2.161 1.00 0.00 H new ATOM 772 N GLY A 95 4.311 26.014 -1.615 1.00 0.00 N ATOM 773 CA GLY A 95 5.330 27.045 -1.712 1.00 0.00 C ATOM 774 C GLY A 95 5.321 27.772 -3.045 1.00 0.00 C ATOM 775 O GLY A 95 5.577 28.975 -3.097 1.00 0.00 O ATOM 0 H GLY A 95 4.350 25.301 -2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.183 27.768 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.310 26.594 -1.558 1.00 0.00 H new ATOM 779 N LEU A 96 5.038 27.047 -4.125 1.00 0.00 N ATOM 780 CA LEU A 96 5.016 27.652 -5.455 1.00 0.00 C ATOM 781 C LEU A 96 3.602 28.013 -5.898 1.00 0.00 C ATOM 782 O LEU A 96 3.407 28.577 -6.974 1.00 0.00 O ATOM 783 CB LEU A 96 5.659 26.713 -6.477 1.00 0.00 C ATOM 784 CG LEU A 96 6.436 27.409 -7.598 1.00 0.00 C ATOM 785 CD1 LEU A 96 7.712 26.645 -7.917 1.00 0.00 C ATOM 786 CD2 LEU A 96 5.570 27.549 -8.840 1.00 0.00 C ATOM 0 H LEU A 96 4.823 26.050 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 96 5.591 28.577 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.335 26.038 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.878 26.098 -6.924 1.00 0.00 H new ATOM 0 HG LEU A 96 6.711 28.407 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.251 27.154 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.340 26.599 -7.028 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.460 25.634 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.139 28.046 -9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.263 26.561 -9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.686 28.141 -8.602 1.00 0.00 H new ATOM 798 N PHE A 97 2.629 27.691 -5.059 1.00 0.00 N ATOM 799 CA PHE A 97 1.222 27.978 -5.344 1.00 0.00 C ATOM 800 C PHE A 97 0.884 27.754 -6.818 1.00 0.00 C ATOM 801 O PHE A 97 0.740 28.709 -7.583 1.00 0.00 O ATOM 802 CB PHE A 97 0.884 29.416 -4.942 1.00 0.00 C ATOM 803 CG PHE A 97 1.872 30.432 -5.445 1.00 0.00 C ATOM 804 CD1 PHE A 97 3.029 30.703 -4.732 1.00 0.00 C ATOM 805 CD2 PHE A 97 1.641 31.115 -6.628 1.00 0.00 C ATOM 806 CE1 PHE A 97 3.938 31.637 -5.190 1.00 0.00 C ATOM 807 CE2 PHE A 97 2.546 32.050 -7.090 1.00 0.00 C ATOM 808 CZ PHE A 97 3.697 32.312 -6.371 1.00 0.00 C ATOM 0 H PHE A 97 2.786 27.226 -4.165 1.00 0.00 H new ATOM 0 HA PHE A 97 0.620 27.286 -4.756 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.107 29.667 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.834 29.478 -3.855 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.222 30.178 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.744 30.914 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.836 31.839 -4.625 1.00 0.00 H new ATOM 0 HE2 PHE A 97 2.354 32.577 -8.013 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.406 33.042 -6.732 1.00 0.00 H new ATOM 818 N VAL A 98 0.759 26.491 -7.208 1.00 0.00 N ATOM 819 CA VAL A 98 0.439 26.149 -8.589 1.00 0.00 C ATOM 820 C VAL A 98 -1.012 26.488 -8.912 1.00 0.00 C ATOM 821 O VAL A 98 -1.905 26.298 -8.086 1.00 0.00 O ATOM 822 CB VAL A 98 0.684 24.654 -8.870 1.00 0.00 C ATOM 823 CG1 VAL A 98 0.448 24.337 -10.340 1.00 0.00 C ATOM 824 CG2 VAL A 98 2.092 24.255 -8.452 1.00 0.00 C ATOM 0 H VAL A 98 0.874 25.688 -6.589 1.00 0.00 H new ATOM 0 HA VAL A 98 1.098 26.740 -9.225 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.025 24.074 -8.280 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.626 23.276 -10.517 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.581 24.581 -10.604 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.129 24.927 -10.953 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.246 23.196 -8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.818 24.843 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.221 24.440 -7.386 1.00 0.00 H new ATOM 993 N ALA B 52 3.533 -35.346 -0.162 1.00 0.00 N ATOM 994 CA ALA B 52 2.952 -34.337 -1.040 1.00 0.00 C ATOM 995 C ALA B 52 2.576 -33.078 -0.261 1.00 0.00 C ATOM 996 O ALA B 52 3.042 -32.869 0.858 1.00 0.00 O ATOM 997 CB ALA B 52 1.734 -34.908 -1.757 1.00 0.00 C ATOM 0 HA ALA B 52 3.700 -34.057 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.307 -34.147 -2.410 1.00 0.00 H new ATOM 0 HB2 ALA B 52 2.033 -35.771 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA B 52 0.990 -35.215 -1.022 1.00 0.00 H new ATOM 1003 N HIS B 53 1.730 -32.246 -0.861 1.00 0.00 N ATOM 1004 CA HIS B 53 1.285 -31.008 -0.227 1.00 0.00 C ATOM 1005 C HIS B 53 2.445 -30.033 -0.043 1.00 0.00 C ATOM 1006 O HIS B 53 3.602 -30.437 0.064 1.00 0.00 O ATOM 1007 CB HIS B 53 0.632 -31.302 1.126 1.00 0.00 C ATOM 1008 CG HIS B 53 -0.597 -32.150 1.028 1.00 0.00 C ATOM 1009 ND1 HIS B 53 -0.891 -33.350 1.579 1.00 0.00 N flip ATOM 1010 CD2 HIS B 53 -1.704 -31.787 0.290 1.00 0.00 C flip ATOM 1011 CE1 HIS B 53 -2.158 -33.687 1.170 1.00 0.00 C flip ATOM 1012 NE2 HIS B 53 -2.627 -32.727 0.395 1.00 0.00 N flip ATOM 0 H HIS B 53 1.337 -32.407 -1.789 1.00 0.00 H new ATOM 0 HA HIS B 53 0.549 -30.545 -0.885 1.00 0.00 H new ATOM 0 HB2 HIS B 53 1.357 -31.801 1.769 1.00 0.00 H new ATOM 0 HB3 HIS B 53 0.375 -30.359 1.608 1.00 0.00 H new ATOM 0 HD2 HIS B 53 -1.801 -30.877 -0.284 1.00 0.00 H new ATOM 0 HE1 HIS B 53 -2.685 -34.591 1.439 1.00 0.00 H new ATOM 0 HE2 HIS B 53 -3.546 -32.713 -0.048 1.00 0.00 H new ATOM 1021 N LEU B 54 2.115 -28.745 -0.002 1.00 0.00 N ATOM 1022 CA LEU B 54 3.113 -27.695 0.173 1.00 0.00 C ATOM 1023 C LEU B 54 4.081 -27.659 -1.020 1.00 0.00 C ATOM 1024 O LEU B 54 3.645 -27.777 -2.166 1.00 0.00 O ATOM 1025 CB LEU B 54 3.860 -27.898 1.499 1.00 0.00 C ATOM 1026 CG LEU B 54 3.002 -27.757 2.758 1.00 0.00 C ATOM 1027 CD1 LEU B 54 1.903 -28.806 2.781 1.00 0.00 C ATOM 1028 CD2 LEU B 54 3.867 -27.860 4.003 1.00 0.00 C ATOM 0 H LEU B 54 1.158 -28.402 -0.088 1.00 0.00 H new ATOM 0 HA LEU B 54 2.609 -26.729 0.211 1.00 0.00 H new ATOM 0 HB2 LEU B 54 4.311 -28.890 1.495 1.00 0.00 H new ATOM 0 HB3 LEU B 54 4.676 -27.177 1.552 1.00 0.00 H new ATOM 0 HG LEU B 54 2.532 -26.774 2.745 1.00 0.00 H new ATOM 0 HD11 LEU B 54 1.305 -28.687 3.685 1.00 0.00 H new ATOM 0 HD12 LEU B 54 1.265 -28.684 1.906 1.00 0.00 H new ATOM 0 HD13 LEU B 54 2.349 -29.801 2.769 1.00 0.00 H new ATOM 0 HD21 LEU B 54 3.242 -27.758 4.890 1.00 0.00 H new ATOM 0 HD22 LEU B 54 4.366 -28.829 4.020 1.00 0.00 H new ATOM 0 HD23 LEU B 54 4.615 -27.067 3.993 1.00 0.00 H new ATOM 1040 N THR B 55 5.386 -27.498 -0.745 1.00 0.00 N ATOM 1041 CA THR B 55 6.427 -27.451 -1.782 1.00 0.00 C ATOM 1042 C THR B 55 5.911 -26.930 -3.128 1.00 0.00 C ATOM 1043 O THR B 55 6.037 -25.744 -3.436 1.00 0.00 O ATOM 1044 CB THR B 55 7.053 -28.836 -1.955 1.00 0.00 C ATOM 1045 OG1 THR B 55 7.667 -29.261 -0.751 1.00 0.00 O ATOM 1046 CG2 THR B 55 8.098 -28.898 -3.049 1.00 0.00 C ATOM 0 H THR B 55 5.748 -27.397 0.203 1.00 0.00 H new ATOM 0 HA THR B 55 7.182 -26.742 -1.443 1.00 0.00 H new ATOM 0 HB THR B 55 6.226 -29.489 -2.233 1.00 0.00 H new ATOM 0 HG1 THR B 55 8.060 -30.149 -0.880 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.498 -29.910 -3.114 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.644 -28.626 -4.002 1.00 0.00 H new ATOM 0 HG23 THR B 55 8.906 -28.203 -2.820 1.00 0.00 H new ATOM 1054 N GLU B 56 5.340 -27.824 -3.932 1.00 0.00 N ATOM 1055 CA GLU B 56 4.819 -27.454 -5.240 1.00 0.00 C ATOM 1056 C GLU B 56 3.623 -26.517 -5.112 1.00 0.00 C ATOM 1057 O GLU B 56 3.678 -25.364 -5.537 1.00 0.00 O ATOM 1058 CB GLU B 56 4.422 -28.706 -6.025 1.00 0.00 C ATOM 1059 CG GLU B 56 5.377 -29.041 -7.159 1.00 0.00 C ATOM 1060 CD GLU B 56 5.220 -28.113 -8.348 1.00 0.00 C ATOM 1061 OE1 GLU B 56 4.103 -28.043 -8.903 1.00 0.00 O ATOM 1062 OE2 GLU B 56 6.212 -27.456 -8.723 1.00 0.00 O ATOM 0 H GLU B 56 5.228 -28.810 -3.698 1.00 0.00 H new ATOM 0 HA GLU B 56 5.607 -26.928 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU B 56 4.372 -29.553 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU B 56 3.421 -28.567 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU B 56 6.402 -28.986 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU B 56 5.207 -30.069 -7.480 1.00 0.00 H new ATOM 1069 N VAL B 57 2.539 -27.015 -4.528 1.00 0.00 N ATOM 1070 CA VAL B 57 1.333 -26.211 -4.362 1.00 0.00 C ATOM 1071 C VAL B 57 1.629 -24.928 -3.586 1.00 0.00 C ATOM 1072 O VAL B 57 1.177 -23.842 -3.971 1.00 0.00 O ATOM 1073 CB VAL B 57 0.210 -26.992 -3.657 1.00 0.00 C ATOM 1074 CG1 VAL B 57 -1.086 -26.195 -3.697 1.00 0.00 C ATOM 1075 CG2 VAL B 57 0.019 -28.358 -4.301 1.00 0.00 C ATOM 0 H VAL B 57 2.470 -27.965 -4.164 1.00 0.00 H new ATOM 0 HA VAL B 57 0.991 -25.953 -5.364 1.00 0.00 H new ATOM 0 HB VAL B 57 0.494 -27.146 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -1.874 -26.757 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -0.942 -25.241 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -1.371 -26.016 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -0.779 -28.894 -3.788 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -0.245 -28.232 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL B 57 0.945 -28.928 -4.226 1.00 0.00 H new ATOM 1085 N GLU B 58 2.403 -25.043 -2.506 1.00 0.00 N ATOM 1086 CA GLU B 58 2.756 -23.870 -1.715 1.00 0.00 C ATOM 1087 C GLU B 58 3.409 -22.828 -2.615 1.00 0.00 C ATOM 1088 O GLU B 58 3.022 -21.663 -2.628 1.00 0.00 O ATOM 1089 CB GLU B 58 3.679 -24.252 -0.547 1.00 0.00 C ATOM 1090 CG GLU B 58 5.163 -24.081 -0.830 1.00 0.00 C ATOM 1091 CD GLU B 58 6.026 -24.403 0.376 1.00 0.00 C ATOM 1092 OE1 GLU B 58 5.533 -25.090 1.295 1.00 0.00 O ATOM 1093 OE2 GLU B 58 7.197 -23.969 0.400 1.00 0.00 O ATOM 0 H GLU B 58 2.791 -25.923 -2.165 1.00 0.00 H new ATOM 0 HA GLU B 58 1.849 -23.445 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.416 -23.646 0.320 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.491 -25.291 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.448 -24.728 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.353 -23.055 -1.145 1.00 0.00 H new ATOM 1100 N SER B 59 4.370 -23.275 -3.401 1.00 0.00 N ATOM 1101 CA SER B 59 5.048 -22.393 -4.339 1.00 0.00 C ATOM 1102 C SER B 59 4.053 -21.902 -5.389 1.00 0.00 C ATOM 1103 O SER B 59 4.291 -20.910 -6.074 1.00 0.00 O ATOM 1104 CB SER B 59 6.212 -23.121 -5.014 1.00 0.00 C ATOM 1105 OG SER B 59 7.424 -22.905 -4.313 1.00 0.00 O ATOM 0 H SER B 59 4.700 -24.240 -3.411 1.00 0.00 H new ATOM 0 HA SER B 59 5.449 -21.538 -3.795 1.00 0.00 H new ATOM 0 HB2 SER B 59 6.000 -24.189 -5.059 1.00 0.00 H new ATOM 0 HB3 SER B 59 6.316 -22.773 -6.042 1.00 0.00 H new ATOM 0 HG SER B 59 8.152 -23.382 -4.763 1.00 0.00 H new ATOM 1111 N ARG B 60 2.942 -22.625 -5.512 1.00 0.00 N ATOM 1112 CA ARG B 60 1.903 -22.304 -6.475 1.00 0.00 C ATOM 1113 C ARG B 60 1.102 -21.082 -6.068 1.00 0.00 C ATOM 1114 O ARG B 60 1.252 -20.010 -6.663 1.00 0.00 O ATOM 1115 CB ARG B 60 0.957 -23.495 -6.637 1.00 0.00 C ATOM 1116 CG ARG B 60 0.316 -23.585 -8.012 1.00 0.00 C ATOM 1117 CD ARG B 60 -1.102 -24.129 -7.931 1.00 0.00 C ATOM 1118 NE ARG B 60 -2.102 -23.078 -8.094 1.00 0.00 N ATOM 1119 CZ ARG B 60 -3.371 -23.306 -8.428 1.00 0.00 C ATOM 1120 NH1 ARG B 60 -3.799 -24.547 -8.631 1.00 0.00 N ATOM 1121 NH2 ARG B 60 -4.215 -22.291 -8.555 1.00 0.00 N ATOM 0 H ARG B 60 2.741 -23.449 -4.945 1.00 0.00 H new ATOM 0 HA ARG B 60 2.397 -22.082 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG B 60 1.509 -24.415 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG B 60 0.172 -23.429 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG B 60 0.302 -22.598 -8.474 1.00 0.00 H new ATOM 0 HG3 ARG B 60 0.918 -24.229 -8.654 1.00 0.00 H new ATOM 0 HD2 ARG B 60 -1.244 -24.887 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG B 60 -1.247 -24.621 -6.969 1.00 0.00 H new ATOM 0 HE ARG B 60 -1.812 -22.112 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG B 60 -3.155 -25.331 -8.531 1.00 0.00 H new ATOM 0 HH12 ARG B 60 -4.772 -24.716 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG B 60 -3.892 -21.336 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG B 60 -5.187 -22.465 -8.811 1.00 0.00 H new ATOM 1135 N LEU B 61 0.238 -21.229 -5.065 1.00 0.00 N ATOM 1136 CA LEU B 61 -0.572 -20.101 -4.641 1.00 0.00 C ATOM 1137 C LEU B 61 0.317 -18.989 -4.111 1.00 0.00 C ATOM 1138 O LEU B 61 -0.028 -17.810 -4.182 1.00 0.00 O ATOM 1139 CB LEU B 61 -1.619 -20.540 -3.627 1.00 0.00 C ATOM 1140 CG LEU B 61 -2.871 -21.143 -4.266 1.00 0.00 C ATOM 1141 CD1 LEU B 61 -3.597 -20.099 -5.100 1.00 0.00 C ATOM 1142 CD2 LEU B 61 -2.495 -22.341 -5.126 1.00 0.00 C ATOM 0 H LEU B 61 0.086 -22.094 -4.547 1.00 0.00 H new ATOM 0 HA LEU B 61 -1.113 -19.705 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -1.176 -21.273 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -1.908 -19.682 -3.020 1.00 0.00 H new ATOM 0 HG LEU B 61 -3.541 -21.477 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -4.485 -20.544 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -3.891 -19.265 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -2.936 -19.739 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -3.394 -22.762 -5.576 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -1.810 -22.024 -5.912 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -2.011 -23.096 -4.506 1.00 0.00 H new ATOM 1154 N GLU B 62 1.498 -19.369 -3.641 1.00 0.00 N ATOM 1155 CA GLU B 62 2.463 -18.397 -3.169 1.00 0.00 C ATOM 1156 C GLU B 62 2.980 -17.619 -4.373 1.00 0.00 C ATOM 1157 O GLU B 62 3.167 -16.400 -4.311 1.00 0.00 O ATOM 1158 CB GLU B 62 3.615 -19.082 -2.436 1.00 0.00 C ATOM 1159 CG GLU B 62 4.628 -18.113 -1.848 1.00 0.00 C ATOM 1160 CD GLU B 62 6.059 -18.536 -2.109 1.00 0.00 C ATOM 1161 OE1 GLU B 62 6.515 -19.512 -1.476 1.00 0.00 O ATOM 1162 OE2 GLU B 62 6.727 -17.891 -2.946 1.00 0.00 O ATOM 0 H GLU B 62 1.806 -20.340 -3.578 1.00 0.00 H new ATOM 0 HA GLU B 62 1.987 -17.719 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU B 62 3.208 -19.699 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU B 62 4.126 -19.753 -3.127 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.464 -17.121 -2.270 1.00 0.00 H new ATOM 0 HG3 GLU B 62 4.467 -18.033 -0.773 1.00 0.00 H new ATOM 1169 N ARG B 63 3.165 -18.331 -5.490 1.00 0.00 N ATOM 1170 CA ARG B 63 3.613 -17.700 -6.721 1.00 0.00 C ATOM 1171 C ARG B 63 2.534 -16.741 -7.203 1.00 0.00 C ATOM 1172 O ARG B 63 2.825 -15.711 -7.811 1.00 0.00 O ATOM 1173 CB ARG B 63 3.914 -18.753 -7.793 1.00 0.00 C ATOM 1174 CG ARG B 63 4.198 -18.163 -9.168 1.00 0.00 C ATOM 1175 CD ARG B 63 3.047 -18.411 -10.131 1.00 0.00 C ATOM 1176 NE ARG B 63 3.247 -19.623 -10.922 1.00 0.00 N ATOM 1177 CZ ARG B 63 4.230 -19.777 -11.807 1.00 0.00 C ATOM 1178 NH1 ARG B 63 5.101 -18.800 -12.018 1.00 0.00 N ATOM 1179 NH2 ARG B 63 4.342 -20.914 -12.481 1.00 0.00 N ATOM 0 H ARG B 63 3.011 -19.337 -5.560 1.00 0.00 H new ATOM 0 HA ARG B 63 4.534 -17.149 -6.531 1.00 0.00 H new ATOM 0 HB2 ARG B 63 4.773 -19.345 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG B 63 3.067 -19.435 -7.868 1.00 0.00 H new ATOM 0 HG2 ARG B 63 4.372 -17.091 -9.076 1.00 0.00 H new ATOM 0 HG3 ARG B 63 5.111 -18.601 -9.571 1.00 0.00 H new ATOM 0 HD2 ARG B 63 2.116 -18.494 -9.570 1.00 0.00 H new ATOM 0 HD3 ARG B 63 2.942 -17.556 -10.798 1.00 0.00 H new ATOM 0 HE ARG B 63 2.596 -20.396 -10.789 1.00 0.00 H new ATOM 0 HH11 ARG B 63 5.020 -17.924 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG B 63 5.852 -18.924 -12.697 1.00 0.00 H new ATOM 0 HH21 ARG B 63 3.675 -21.669 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG B 63 5.095 -21.033 -13.159 1.00 0.00 H new ATOM 1193 N LEU B 64 1.282 -17.079 -6.893 1.00 0.00 N ATOM 1194 CA LEU B 64 0.153 -16.236 -7.261 1.00 0.00 C ATOM 1195 C LEU B 64 0.130 -15.004 -6.368 1.00 0.00 C ATOM 1196 O LEU B 64 -0.330 -13.934 -6.764 1.00 0.00 O ATOM 1197 CB LEU B 64 -1.161 -17.017 -7.143 1.00 0.00 C ATOM 1198 CG LEU B 64 -2.435 -16.165 -7.140 1.00 0.00 C ATOM 1199 CD1 LEU B 64 -3.427 -16.679 -8.174 1.00 0.00 C ATOM 1200 CD2 LEU B 64 -3.067 -16.153 -5.756 1.00 0.00 C ATOM 0 H LEU B 64 1.028 -17.929 -6.389 1.00 0.00 H new ATOM 0 HA LEU B 64 0.263 -15.920 -8.299 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -1.219 -17.724 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -1.134 -17.603 -6.224 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.163 -15.143 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -4.325 -16.061 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -2.975 -16.634 -9.165 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -3.692 -17.711 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -3.970 -15.543 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.323 -17.172 -5.464 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -2.362 -15.736 -5.037 1.00 0.00 H new ATOM 1212 N GLU B 65 0.654 -15.178 -5.167 1.00 0.00 N ATOM 1213 CA GLU B 65 0.735 -14.103 -4.189 1.00 0.00 C ATOM 1214 C GLU B 65 1.821 -13.112 -4.588 1.00 0.00 C ATOM 1215 O GLU B 65 1.712 -11.914 -4.328 1.00 0.00 O ATOM 1216 CB GLU B 65 1.035 -14.669 -2.800 1.00 0.00 C ATOM 1217 CG GLU B 65 1.124 -13.608 -1.714 1.00 0.00 C ATOM 1218 CD GLU B 65 2.553 -13.195 -1.415 1.00 0.00 C ATOM 1219 OE1 GLU B 65 3.178 -12.549 -2.283 1.00 0.00 O ATOM 1220 OE2 GLU B 65 3.046 -13.521 -0.315 1.00 0.00 O ATOM 0 H GLU B 65 1.035 -16.066 -4.841 1.00 0.00 H new ATOM 0 HA GLU B 65 -0.225 -13.588 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU B 65 0.258 -15.385 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU B 65 1.976 -15.219 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU B 65 0.553 -12.731 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU B 65 0.661 -13.987 -0.803 1.00 0.00 H new ATOM 1227 N GLN B 66 2.868 -13.626 -5.229 1.00 0.00 N ATOM 1228 CA GLN B 66 3.976 -12.788 -5.676 1.00 0.00 C ATOM 1229 C GLN B 66 3.614 -12.050 -6.963 1.00 0.00 C ATOM 1230 O GLN B 66 4.195 -11.011 -7.276 1.00 0.00 O ATOM 1231 CB GLN B 66 5.229 -13.641 -5.892 1.00 0.00 C ATOM 1232 CG GLN B 66 6.359 -13.320 -4.926 1.00 0.00 C ATOM 1233 CD GLN B 66 7.426 -12.441 -5.548 1.00 0.00 C ATOM 1234 OE1 GLN B 66 8.503 -12.914 -5.910 1.00 0.00 O ATOM 1235 NE2 GLN B 66 7.132 -11.152 -5.673 1.00 0.00 N ATOM 0 H GLN B 66 2.972 -14.616 -5.450 1.00 0.00 H new ATOM 0 HA GLN B 66 4.179 -12.048 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.964 -14.693 -5.791 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.584 -13.499 -6.913 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.950 -12.822 -4.047 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.814 -14.249 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN B 66 6.226 -10.803 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.812 -10.511 -6.083 1.00 0.00 H new ATOM 1244 N LEU B 67 2.654 -12.595 -7.705 1.00 0.00 N ATOM 1245 CA LEU B 67 2.215 -11.990 -8.956 1.00 0.00 C ATOM 1246 C LEU B 67 1.197 -10.882 -8.704 1.00 0.00 C ATOM 1247 O LEU B 67 1.017 -9.992 -9.536 1.00 0.00 O ATOM 1248 CB LEU B 67 1.611 -13.054 -9.875 1.00 0.00 C ATOM 1249 CG LEU B 67 1.699 -12.744 -11.372 1.00 0.00 C ATOM 1250 CD1 LEU B 67 2.865 -13.488 -12.003 1.00 0.00 C ATOM 1251 CD2 LEU B 67 0.395 -13.105 -12.068 1.00 0.00 C ATOM 0 H LEU B 67 2.165 -13.456 -7.460 1.00 0.00 H new ATOM 0 HA LEU B 67 3.087 -11.550 -9.441 1.00 0.00 H new ATOM 0 HB2 LEU B 67 2.113 -14.003 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.563 -13.190 -9.609 1.00 0.00 H new ATOM 0 HG LEU B 67 1.869 -11.674 -11.493 1.00 0.00 H new ATOM 0 HD11 LEU B 67 2.912 -13.256 -13.067 1.00 0.00 H new ATOM 0 HD12 LEU B 67 3.795 -13.182 -11.523 1.00 0.00 H new ATOM 0 HD13 LEU B 67 2.726 -14.561 -11.872 1.00 0.00 H new ATOM 0 HD21 LEU B 67 0.475 -12.878 -13.131 1.00 0.00 H new ATOM 0 HD22 LEU B 67 0.195 -14.169 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.421 -12.527 -11.634 1.00 0.00 H new ATOM 1263 N PHE B 68 0.530 -10.942 -7.554 1.00 0.00 N ATOM 1264 CA PHE B 68 -0.472 -9.942 -7.197 1.00 0.00 C ATOM 1265 C PHE B 68 -1.645 -9.977 -8.168 1.00 0.00 C ATOM 1266 O PHE B 68 -1.629 -10.717 -9.151 1.00 0.00 O ATOM 1267 CB PHE B 68 0.151 -8.544 -7.179 1.00 0.00 C ATOM 1268 CG PHE B 68 1.278 -8.402 -6.196 1.00 0.00 C ATOM 1269 CD1 PHE B 68 2.545 -8.873 -6.502 1.00 0.00 C ATOM 1270 CD2 PHE B 68 1.070 -7.799 -4.966 1.00 0.00 C ATOM 1271 CE1 PHE B 68 3.584 -8.745 -5.600 1.00 0.00 C ATOM 1272 CE2 PHE B 68 2.106 -7.668 -4.059 1.00 0.00 C ATOM 1273 CZ PHE B 68 3.363 -8.141 -4.377 1.00 0.00 C ATOM 0 H PHE B 68 0.665 -11.672 -6.854 1.00 0.00 H new ATOM 0 HA PHE B 68 -0.843 -10.177 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE B 68 0.518 -8.306 -8.177 1.00 0.00 H new ATOM 0 HB3 PHE B 68 -0.622 -7.813 -6.941 1.00 0.00 H new ATOM 0 HD1 PHE B 68 2.722 -9.346 -7.457 1.00 0.00 H new ATOM 0 HD2 PHE B 68 0.088 -7.427 -4.713 1.00 0.00 H new ATOM 0 HE1 PHE B 68 4.567 -9.116 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE B 68 1.932 -7.196 -3.103 1.00 0.00 H new ATOM 0 HZ PHE B 68 4.173 -8.039 -3.670 1.00 0.00 H new ATOM 1283 N LEU B 69 -2.663 -9.169 -7.889 1.00 0.00 N ATOM 1284 CA LEU B 69 -3.846 -9.108 -8.741 1.00 0.00 C ATOM 1285 C LEU B 69 -4.182 -7.665 -9.103 1.00 0.00 C ATOM 1286 O LEU B 69 -4.074 -7.264 -10.262 1.00 0.00 O ATOM 1287 CB LEU B 69 -5.039 -9.764 -8.043 1.00 0.00 C ATOM 1288 CG LEU B 69 -5.219 -11.256 -8.333 1.00 0.00 C ATOM 1289 CD1 LEU B 69 -4.528 -12.094 -7.268 1.00 0.00 C ATOM 1290 CD2 LEU B 69 -6.697 -11.608 -8.416 1.00 0.00 C ATOM 0 H LEU B 69 -2.693 -8.548 -7.080 1.00 0.00 H new ATOM 0 HA LEU B 69 -3.629 -9.652 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.930 -9.629 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -5.947 -9.240 -8.340 1.00 0.00 H new ATOM 0 HG LEU B 69 -4.758 -11.478 -9.296 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -4.667 -13.152 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -3.463 -11.862 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -4.958 -11.869 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -6.806 -12.673 -8.623 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -7.181 -11.371 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -7.164 -11.033 -9.216 1.00 0.00 H new ATOM 1302 N LEU B 70 -4.595 -6.890 -8.105 1.00 0.00 N ATOM 1303 CA LEU B 70 -4.949 -5.493 -8.318 1.00 0.00 C ATOM 1304 C LEU B 70 -4.138 -4.576 -7.408 1.00 0.00 C ATOM 1305 O LEU B 70 -4.683 -3.680 -6.763 1.00 0.00 O ATOM 1306 CB LEU B 70 -6.445 -5.283 -8.076 1.00 0.00 C ATOM 1307 CG LEU B 70 -7.362 -5.854 -9.161 1.00 0.00 C ATOM 1308 CD1 LEU B 70 -8.781 -6.005 -8.635 1.00 0.00 C ATOM 1309 CD2 LEU B 70 -7.340 -4.966 -10.395 1.00 0.00 C ATOM 0 H LEU B 70 -4.692 -7.207 -7.140 1.00 0.00 H new ATOM 0 HA LEU B 70 -4.716 -5.240 -9.352 1.00 0.00 H new ATOM 0 HB2 LEU B 70 -6.711 -5.737 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU B 70 -6.637 -4.214 -7.985 1.00 0.00 H new ATOM 0 HG LEU B 70 -6.994 -6.841 -9.441 1.00 0.00 H new ATOM 0 HD11 LEU B 70 -9.419 -6.412 -9.420 1.00 0.00 H new ATOM 0 HD12 LEU B 70 -8.782 -6.681 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU B 70 -9.161 -5.031 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU B 70 -7.997 -5.386 -11.157 1.00 0.00 H new ATOM 0 HD22 LEU B 70 -7.684 -3.966 -10.130 1.00 0.00 H new ATOM 0 HD23 LEU B 70 -6.323 -4.909 -10.784 1.00 0.00 H new ATOM 1321 N ILE B 71 -2.829 -4.804 -7.363 1.00 0.00 N ATOM 1322 CA ILE B 71 -1.940 -4.000 -6.534 1.00 0.00 C ATOM 1323 C ILE B 71 -0.765 -3.467 -7.347 1.00 0.00 C ATOM 1324 O ILE B 71 -0.554 -2.258 -7.433 1.00 0.00 O ATOM 1325 CB ILE B 71 -1.398 -4.809 -5.339 1.00 0.00 C ATOM 1326 CG1 ILE B 71 -2.549 -5.485 -4.586 1.00 0.00 C ATOM 1327 CG2 ILE B 71 -0.602 -3.909 -4.405 1.00 0.00 C ATOM 1328 CD1 ILE B 71 -2.349 -6.972 -4.387 1.00 0.00 C ATOM 0 H ILE B 71 -2.361 -5.540 -7.892 1.00 0.00 H new ATOM 0 HA ILE B 71 -2.529 -3.164 -6.158 1.00 0.00 H new ATOM 0 HB ILE B 71 -0.732 -5.584 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE B 71 -2.665 -5.009 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE B 71 -3.477 -5.321 -5.134 1.00 0.00 H new ATOM 0 HG21 ILE B 71 -0.227 -4.496 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE B 71 0.237 -3.473 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE B 71 -1.246 -3.113 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE B 71 -3.201 -7.385 -3.847 1.00 0.00 H new ATOM 0 HD12 ILE B 71 -2.263 -7.461 -5.358 1.00 0.00 H new ATOM 0 HD13 ILE B 71 -1.439 -7.143 -3.813 1.00 0.00 H new ATOM 1340 N PHE B 72 -0.003 -4.379 -7.943 1.00 0.00 N ATOM 1341 CA PHE B 72 1.150 -4.003 -8.751 1.00 0.00 C ATOM 1342 C PHE B 72 0.925 -4.359 -10.221 1.00 0.00 C ATOM 1343 O PHE B 72 1.056 -5.520 -10.609 1.00 0.00 O ATOM 1344 CB PHE B 72 2.410 -4.702 -8.233 1.00 0.00 C ATOM 1345 CG PHE B 72 3.168 -3.896 -7.217 1.00 0.00 C ATOM 1346 CD1 PHE B 72 3.781 -2.706 -7.575 1.00 0.00 C ATOM 1347 CD2 PHE B 72 3.269 -4.329 -5.904 1.00 0.00 C ATOM 1348 CE1 PHE B 72 4.480 -1.963 -6.643 1.00 0.00 C ATOM 1349 CE2 PHE B 72 3.967 -3.590 -4.969 1.00 0.00 C ATOM 1350 CZ PHE B 72 4.573 -2.406 -5.337 1.00 0.00 C ATOM 0 H PHE B 72 -0.164 -5.384 -7.881 1.00 0.00 H new ATOM 0 HA PHE B 72 1.282 -2.924 -8.673 1.00 0.00 H new ATOM 0 HB2 PHE B 72 2.130 -5.658 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE B 72 3.067 -4.921 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE B 72 3.712 -2.355 -8.594 1.00 0.00 H new ATOM 0 HD2 PHE B 72 2.797 -5.254 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE B 72 4.953 -1.037 -6.935 1.00 0.00 H new ATOM 0 HE2 PHE B 72 4.039 -3.939 -3.949 1.00 0.00 H new ATOM 0 HZ PHE B 72 5.118 -1.827 -4.606 1.00 0.00 H new ATOM 1360 N PRO B 73 0.582 -3.366 -11.061 1.00 0.00 N ATOM 1361 CA PRO B 73 0.342 -3.595 -12.489 1.00 0.00 C ATOM 1362 C PRO B 73 1.603 -4.024 -13.230 1.00 0.00 C ATOM 1363 O PRO B 73 1.606 -5.025 -13.944 1.00 0.00 O ATOM 1364 CB PRO B 73 -0.144 -2.235 -13.000 1.00 0.00 C ATOM 1365 CG PRO B 73 0.380 -1.245 -12.018 1.00 0.00 C ATOM 1366 CD PRO B 73 0.401 -1.950 -10.691 1.00 0.00 C ATOM 0 HA PRO B 73 -0.372 -4.403 -12.652 1.00 0.00 H new ATOM 0 HB2 PRO B 73 0.232 -2.033 -14.003 1.00 0.00 H new ATOM 0 HB3 PRO B 73 -1.232 -2.199 -13.054 1.00 0.00 H new ATOM 0 HG2 PRO B 73 1.379 -0.909 -12.297 1.00 0.00 H new ATOM 0 HG3 PRO B 73 -0.255 -0.360 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO B 73 1.214 -1.593 -10.059 1.00 0.00 H new ATOM 0 HD3 PRO B 73 -0.525 -1.794 -10.138 1.00 0.00 H new ATOM 1374 N ARG B 74 2.677 -3.259 -13.054 1.00 0.00 N ATOM 1375 CA ARG B 74 3.945 -3.566 -13.708 1.00 0.00 C ATOM 1376 C ARG B 74 5.029 -2.573 -13.299 1.00 0.00 C ATOM 1377 O ARG B 74 6.097 -2.967 -12.830 1.00 0.00 O ATOM 1378 CB ARG B 74 3.776 -3.554 -15.229 1.00 0.00 C ATOM 1379 CG ARG B 74 2.957 -2.380 -15.743 1.00 0.00 C ATOM 1380 CD ARG B 74 2.437 -2.631 -17.150 1.00 0.00 C ATOM 1381 NE ARG B 74 3.469 -3.184 -18.028 1.00 0.00 N ATOM 1382 CZ ARG B 74 3.648 -4.487 -18.243 1.00 0.00 C ATOM 1383 NH1 ARG B 74 2.875 -5.384 -17.643 1.00 0.00 N ATOM 1384 NH2 ARG B 74 4.607 -4.894 -19.063 1.00 0.00 N ATOM 0 H ARG B 74 2.695 -2.425 -12.466 1.00 0.00 H new ATOM 0 HA ARG B 74 4.253 -4.562 -13.390 1.00 0.00 H new ATOM 0 HB2 ARG B 74 4.761 -3.530 -15.695 1.00 0.00 H new ATOM 0 HB3 ARG B 74 3.298 -4.483 -15.540 1.00 0.00 H new ATOM 0 HG2 ARG B 74 2.118 -2.200 -15.071 1.00 0.00 H new ATOM 0 HG3 ARG B 74 3.569 -1.478 -15.737 1.00 0.00 H new ATOM 0 HD2 ARG B 74 1.592 -3.318 -17.106 1.00 0.00 H new ATOM 0 HD3 ARG B 74 2.066 -1.696 -17.571 1.00 0.00 H new ATOM 0 HE ARG B 74 4.090 -2.531 -18.505 1.00 0.00 H new ATOM 0 HH11 ARG B 74 2.136 -5.078 -17.010 1.00 0.00 H new ATOM 0 HH12 ARG B 74 3.021 -6.379 -17.815 1.00 0.00 H new ATOM 0 HH21 ARG B 74 5.205 -4.211 -19.527 1.00 0.00 H new ATOM 0 HH22 ARG B 74 4.747 -5.891 -19.230 1.00 0.00 H new ATOM 1398 N GLU B 75 4.752 -1.287 -13.483 1.00 0.00 N ATOM 1399 CA GLU B 75 5.709 -0.242 -13.137 1.00 0.00 C ATOM 1400 C GLU B 75 4.992 1.058 -12.782 1.00 0.00 C ATOM 1401 O GLU B 75 3.764 1.101 -12.715 1.00 0.00 O ATOM 1402 CB GLU B 75 6.677 -0.004 -14.300 1.00 0.00 C ATOM 1403 CG GLU B 75 7.602 -1.178 -14.577 1.00 0.00 C ATOM 1404 CD GLU B 75 8.609 -1.402 -13.466 1.00 0.00 C ATOM 1405 OE1 GLU B 75 8.185 -1.724 -12.335 1.00 0.00 O ATOM 1406 OE2 GLU B 75 9.822 -1.255 -13.725 1.00 0.00 O ATOM 0 H GLU B 75 3.873 -0.943 -13.870 1.00 0.00 H new ATOM 0 HA GLU B 75 6.273 -0.574 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU B 75 6.102 0.214 -15.200 1.00 0.00 H new ATOM 0 HB3 GLU B 75 7.279 0.878 -14.085 1.00 0.00 H new ATOM 0 HG2 GLU B 75 7.007 -2.081 -14.710 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.132 -1.005 -15.513 1.00 0.00 H new ATOM 1413 N ASP B 76 5.769 2.115 -12.556 1.00 0.00 N ATOM 1414 CA ASP B 76 5.210 3.419 -12.210 1.00 0.00 C ATOM 1415 C ASP B 76 4.585 3.396 -10.819 1.00 0.00 C ATOM 1416 O ASP B 76 3.590 2.710 -10.586 1.00 0.00 O ATOM 1417 CB ASP B 76 4.166 3.847 -13.243 1.00 0.00 C ATOM 1418 CG ASP B 76 4.658 3.677 -14.667 1.00 0.00 C ATOM 1419 OD1 ASP B 76 4.596 2.542 -15.185 1.00 0.00 O ATOM 1420 OD2 ASP B 76 5.104 4.679 -15.264 1.00 0.00 O ATOM 0 H ASP B 76 6.788 2.094 -12.606 1.00 0.00 H new ATOM 0 HA ASP B 76 6.026 4.142 -12.210 1.00 0.00 H new ATOM 0 HB2 ASP B 76 3.258 3.260 -13.103 1.00 0.00 H new ATOM 0 HB3 ASP B 76 3.900 4.891 -13.076 1.00 0.00 H new ATOM 1425 N LEU B 77 5.172 4.156 -9.900 1.00 0.00 N ATOM 1426 CA LEU B 77 4.671 4.228 -8.534 1.00 0.00 C ATOM 1427 C LEU B 77 3.872 5.510 -8.321 1.00 0.00 C ATOM 1428 O LEU B 77 4.072 6.228 -7.341 1.00 0.00 O ATOM 1429 CB LEU B 77 5.832 4.163 -7.538 1.00 0.00 C ATOM 1430 CG LEU B 77 6.769 2.967 -7.715 1.00 0.00 C ATOM 1431 CD1 LEU B 77 7.921 3.322 -8.640 1.00 0.00 C ATOM 1432 CD2 LEU B 77 7.292 2.497 -6.365 1.00 0.00 C ATOM 0 H LEU B 77 5.996 4.731 -10.078 1.00 0.00 H new ATOM 0 HA LEU B 77 4.012 3.376 -8.366 1.00 0.00 H new ATOM 0 HB2 LEU B 77 6.416 5.079 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU B 77 5.423 4.139 -6.528 1.00 0.00 H new ATOM 0 HG LEU B 77 6.205 2.152 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU B 77 8.576 2.458 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU B 77 7.529 3.610 -9.615 1.00 0.00 H new ATOM 0 HD13 LEU B 77 8.485 4.152 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU B 77 7.957 1.646 -6.509 1.00 0.00 H new ATOM 0 HD22 LEU B 77 7.839 3.308 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU B 77 6.454 2.201 -5.734 1.00 0.00 H new ATOM 1444 N ASP B 78 2.967 5.794 -9.253 1.00 0.00 N ATOM 1445 CA ASP B 78 2.137 6.991 -9.176 1.00 0.00 C ATOM 1446 C ASP B 78 0.655 6.644 -9.303 1.00 0.00 C ATOM 1447 O ASP B 78 -0.196 7.290 -8.691 1.00 0.00 O ATOM 1448 CB ASP B 78 2.534 7.984 -10.269 1.00 0.00 C ATOM 1449 CG ASP B 78 2.386 9.425 -9.823 1.00 0.00 C ATOM 1450 OD1 ASP B 78 1.270 9.974 -9.948 1.00 0.00 O ATOM 1451 OD2 ASP B 78 3.385 10.006 -9.348 1.00 0.00 O ATOM 0 H ASP B 78 2.790 5.211 -10.071 1.00 0.00 H new ATOM 0 HA ASP B 78 2.300 7.448 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP B 78 3.568 7.802 -10.563 1.00 0.00 H new ATOM 0 HB3 ASP B 78 1.917 7.815 -11.151 1.00 0.00 H new ATOM 1456 N MET B 79 0.352 5.625 -10.101 1.00 0.00 N ATOM 1457 CA MET B 79 -1.027 5.198 -10.309 1.00 0.00 C ATOM 1458 C MET B 79 -1.700 4.842 -8.986 1.00 0.00 C ATOM 1459 O MET B 79 -2.919 4.956 -8.849 1.00 0.00 O ATOM 1460 CB MET B 79 -1.073 3.997 -11.256 1.00 0.00 C ATOM 1461 CG MET B 79 -1.224 4.382 -12.720 1.00 0.00 C ATOM 1462 SD MET B 79 -2.667 3.631 -13.496 1.00 0.00 S ATOM 1463 CE MET B 79 -3.991 4.521 -12.681 1.00 0.00 C ATOM 0 H MET B 79 1.044 5.079 -10.615 1.00 0.00 H new ATOM 0 HA MET B 79 -1.571 6.030 -10.757 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.160 3.414 -11.135 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.904 3.352 -10.971 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.298 5.467 -12.800 1.00 0.00 H new ATOM 0 HG3 MET B 79 -0.328 4.083 -13.264 1.00 0.00 H new ATOM 0 HE1 MET B 79 -4.854 3.865 -12.566 1.00 0.00 H new ATOM 0 HE2 MET B 79 -3.655 4.854 -11.699 1.00 0.00 H new ATOM 0 HE3 MET B 79 -4.271 5.387 -13.281 1.00 0.00 H new ATOM 1473 N ILE B 80 -0.902 4.409 -8.015 1.00 0.00 N ATOM 1474 CA ILE B 80 -1.426 4.037 -6.705 1.00 0.00 C ATOM 1475 C ILE B 80 -2.004 5.249 -5.984 1.00 0.00 C ATOM 1476 O ILE B 80 -3.208 5.319 -5.733 1.00 0.00 O ATOM 1477 CB ILE B 80 -0.337 3.398 -5.823 1.00 0.00 C ATOM 1478 CG1 ILE B 80 0.373 2.274 -6.580 1.00 0.00 C ATOM 1479 CG2 ILE B 80 -0.942 2.869 -4.531 1.00 0.00 C ATOM 1480 CD1 ILE B 80 -0.564 1.196 -7.082 1.00 0.00 C ATOM 0 H ILE B 80 0.108 4.307 -8.110 1.00 0.00 H new ATOM 0 HA ILE B 80 -2.216 3.306 -6.875 1.00 0.00 H new ATOM 0 HB ILE B 80 0.398 4.163 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE B 80 0.910 2.700 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE B 80 1.118 1.821 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -0.159 2.421 -3.919 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -1.405 3.690 -3.983 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -1.696 2.117 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE B 80 0.009 0.433 -7.609 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -1.083 0.742 -6.237 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -1.294 1.636 -7.762 1.00 0.00 H new ATOM 1492 N LEU B 81 -1.140 6.204 -5.656 1.00 0.00 N ATOM 1493 CA LEU B 81 -1.564 7.417 -4.966 1.00 0.00 C ATOM 1494 C LEU B 81 -2.542 8.221 -5.821 1.00 0.00 C ATOM 1495 O LEU B 81 -3.272 9.071 -5.310 1.00 0.00 O ATOM 1496 CB LEU B 81 -0.353 8.280 -4.610 1.00 0.00 C ATOM 1497 CG LEU B 81 0.698 8.412 -5.716 1.00 0.00 C ATOM 1498 CD1 LEU B 81 1.197 9.845 -5.811 1.00 0.00 C ATOM 1499 CD2 LEU B 81 1.856 7.456 -5.469 1.00 0.00 C ATOM 0 H LEU B 81 -0.141 6.161 -5.857 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.072 7.120 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -0.703 9.277 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU B 81 0.125 7.861 -3.724 1.00 0.00 H new ATOM 0 HG LEU B 81 0.233 8.148 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU B 81 1.943 9.919 -6.602 1.00 0.00 H new ATOM 0 HD12 LEU B 81 0.361 10.507 -6.037 1.00 0.00 H new ATOM 0 HD13 LEU B 81 1.645 10.138 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU B 81 2.593 7.564 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU B 81 2.321 7.687 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU B 81 1.485 6.431 -5.454 1.00 0.00 H new ATOM 1511 N LYS B 82 -2.554 7.948 -7.123 1.00 0.00 N ATOM 1512 CA LYS B 82 -3.444 8.645 -8.042 1.00 0.00 C ATOM 1513 C LYS B 82 -4.846 8.048 -7.993 1.00 0.00 C ATOM 1514 O LYS B 82 -5.839 8.750 -8.180 1.00 0.00 O ATOM 1515 CB LYS B 82 -2.898 8.574 -9.469 1.00 0.00 C ATOM 1516 CG LYS B 82 -1.866 9.646 -9.780 1.00 0.00 C ATOM 1517 CD LYS B 82 -1.445 9.607 -11.239 1.00 0.00 C ATOM 1518 CE LYS B 82 -0.803 10.917 -11.670 1.00 0.00 C ATOM 1519 NZ LYS B 82 0.215 10.711 -12.737 1.00 0.00 N ATOM 0 H LYS B 82 -1.957 7.249 -7.564 1.00 0.00 H new ATOM 0 HA LYS B 82 -3.499 9.689 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -2.450 7.593 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -3.727 8.665 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -2.277 10.628 -9.545 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -0.992 9.506 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -0.742 8.788 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -2.314 9.404 -11.864 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -1.574 11.598 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -0.335 11.393 -10.808 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 0.629 11.627 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 0.964 10.081 -12.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -0.236 10.280 -13.569 1.00 0.00 H new ATOM 1533 N MET B 83 -4.916 6.746 -7.736 1.00 0.00 N ATOM 1534 CA MET B 83 -6.194 6.048 -7.657 1.00 0.00 C ATOM 1535 C MET B 83 -6.751 6.088 -6.234 1.00 0.00 C ATOM 1536 O MET B 83 -7.942 5.863 -6.021 1.00 0.00 O ATOM 1537 CB MET B 83 -6.034 4.598 -8.115 1.00 0.00 C ATOM 1538 CG MET B 83 -6.280 4.398 -9.601 1.00 0.00 C ATOM 1539 SD MET B 83 -7.200 2.889 -9.959 1.00 0.00 S ATOM 1540 CE MET B 83 -5.895 1.838 -10.592 1.00 0.00 C ATOM 0 H MET B 83 -4.102 6.152 -7.579 1.00 0.00 H new ATOM 0 HA MET B 83 -6.899 6.555 -8.316 1.00 0.00 H new ATOM 0 HB2 MET B 83 -5.027 4.259 -7.873 1.00 0.00 H new ATOM 0 HB3 MET B 83 -6.725 3.970 -7.553 1.00 0.00 H new ATOM 0 HG2 MET B 83 -6.829 5.254 -9.992 1.00 0.00 H new ATOM 0 HG3 MET B 83 -5.323 4.367 -10.122 1.00 0.00 H new ATOM 0 HE1 MET B 83 -6.115 0.798 -10.349 1.00 0.00 H new ATOM 0 HE2 MET B 83 -5.829 1.951 -11.674 1.00 0.00 H new ATOM 0 HE3 MET B 83 -4.946 2.124 -10.139 1.00 0.00 H new ATOM 1550 N ASP B 84 -5.883 6.375 -5.266 1.00 0.00 N ATOM 1551 CA ASP B 84 -6.296 6.443 -3.869 1.00 0.00 C ATOM 1552 C ASP B 84 -6.637 7.876 -3.475 1.00 0.00 C ATOM 1553 O ASP B 84 -7.603 8.117 -2.749 1.00 0.00 O ATOM 1554 CB ASP B 84 -5.189 5.901 -2.962 1.00 0.00 C ATOM 1555 CG ASP B 84 -5.209 4.387 -2.867 1.00 0.00 C ATOM 1556 OD1 ASP B 84 -6.083 3.849 -2.156 1.00 0.00 O ATOM 1557 OD2 ASP B 84 -4.351 3.741 -3.505 1.00 0.00 O ATOM 0 H ASP B 84 -4.893 6.563 -5.424 1.00 0.00 H new ATOM 0 HA ASP B 84 -7.188 5.829 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP B 84 -4.220 6.226 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP B 84 -5.299 6.326 -1.965 1.00 0.00 H new ATOM 1562 N SER B 85 -5.840 8.823 -3.956 1.00 0.00 N ATOM 1563 CA SER B 85 -6.056 10.233 -3.653 1.00 0.00 C ATOM 1564 C SER B 85 -6.988 10.872 -4.676 1.00 0.00 C ATOM 1565 O SER B 85 -6.889 10.606 -5.874 1.00 0.00 O ATOM 1566 CB SER B 85 -4.722 10.981 -3.624 1.00 0.00 C ATOM 1567 OG SER B 85 -4.293 11.310 -4.934 1.00 0.00 O ATOM 0 H SER B 85 -5.037 8.640 -4.558 1.00 0.00 H new ATOM 0 HA SER B 85 -6.523 10.300 -2.670 1.00 0.00 H new ATOM 0 HB2 SER B 85 -4.824 11.891 -3.032 1.00 0.00 H new ATOM 0 HB3 SER B 85 -3.967 10.366 -3.135 1.00 0.00 H new ATOM 0 HG SER B 85 -3.815 10.548 -5.323 1.00 0.00 H new ATOM 1573 N LEU B 86 -7.895 11.716 -4.196 1.00 0.00 N ATOM 1574 CA LEU B 86 -8.845 12.395 -5.070 1.00 0.00 C ATOM 1575 C LEU B 86 -8.334 13.776 -5.471 1.00 0.00 C ATOM 1576 O LEU B 86 -9.105 14.625 -5.919 1.00 0.00 O ATOM 1577 CB LEU B 86 -10.203 12.522 -4.377 1.00 0.00 C ATOM 1578 CG LEU B 86 -11.416 12.415 -5.304 1.00 0.00 C ATOM 1579 CD1 LEU B 86 -11.572 10.991 -5.812 1.00 0.00 C ATOM 1580 CD2 LEU B 86 -12.675 12.869 -4.583 1.00 0.00 C ATOM 0 H LEU B 86 -7.992 11.946 -3.207 1.00 0.00 H new ATOM 0 HA LEU B 86 -8.958 11.797 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 86 -10.278 11.747 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU B 86 -10.242 13.482 -3.861 1.00 0.00 H new ATOM 0 HG LEU B 86 -11.257 13.069 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU B 86 -12.439 10.932 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU B 86 -10.678 10.702 -6.364 1.00 0.00 H new ATOM 0 HD13 LEU B 86 -11.711 10.316 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU B 86 -13.529 12.787 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU B 86 -12.840 12.240 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU B 86 -12.560 13.906 -4.268 1.00 0.00 H new ATOM 1592 N ARG B 87 -7.031 13.998 -5.312 1.00 0.00 N ATOM 1593 CA ARG B 87 -6.427 15.277 -5.664 1.00 0.00 C ATOM 1594 C ARG B 87 -7.064 16.421 -4.879 1.00 0.00 C ATOM 1595 O ARG B 87 -7.013 17.575 -5.301 1.00 0.00 O ATOM 1596 CB ARG B 87 -6.564 15.529 -7.166 1.00 0.00 C ATOM 1597 CG ARG B 87 -6.223 14.315 -8.015 1.00 0.00 C ATOM 1598 CD ARG B 87 -6.307 14.627 -9.502 1.00 0.00 C ATOM 1599 NE ARG B 87 -5.125 14.165 -10.224 1.00 0.00 N ATOM 1600 CZ ARG B 87 -5.096 13.947 -11.538 1.00 0.00 C ATOM 1601 NH1 ARG B 87 -6.181 14.151 -12.276 1.00 0.00 N ATOM 1602 NH2 ARG B 87 -3.980 13.524 -12.115 1.00 0.00 N ATOM 0 H ARG B 87 -6.376 13.309 -4.942 1.00 0.00 H new ATOM 0 HA ARG B 87 -5.369 15.235 -5.404 1.00 0.00 H new ATOM 0 HB2 ARG B 87 -7.586 15.840 -7.383 1.00 0.00 H new ATOM 0 HB3 ARG B 87 -5.913 16.356 -7.449 1.00 0.00 H new ATOM 0 HG2 ARG B 87 -5.218 13.971 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG B 87 -6.905 13.500 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG B 87 -7.196 14.156 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG B 87 -6.420 15.702 -9.641 1.00 0.00 H new ATOM 0 HE ARG B 87 -4.271 13.999 -9.691 1.00 0.00 H new ATOM 0 HH11 ARG B 87 -7.042 14.476 -11.837 1.00 0.00 H new ATOM 0 HH12 ARG B 87 -6.153 13.982 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG B 87 -3.144 13.365 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG B 87 -3.958 13.357 -13.121 1.00 0.00 H new ATOM 1616 N ASP B 88 -7.656 16.098 -3.734 1.00 0.00 N ATOM 1617 CA ASP B 88 -8.290 17.109 -2.893 1.00 0.00 C ATOM 1618 C ASP B 88 -7.240 17.956 -2.173 1.00 0.00 C ATOM 1619 O ASP B 88 -7.556 18.997 -1.596 1.00 0.00 O ATOM 1620 CB ASP B 88 -9.215 16.443 -1.872 1.00 0.00 C ATOM 1621 CG ASP B 88 -10.523 17.190 -1.703 1.00 0.00 C ATOM 1622 OD1 ASP B 88 -11.157 17.516 -2.729 1.00 0.00 O ATOM 1623 OD2 ASP B 88 -10.915 17.449 -0.546 1.00 0.00 O ATOM 0 H ASP B 88 -7.710 15.148 -3.367 1.00 0.00 H new ATOM 0 HA ASP B 88 -8.880 17.764 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP B 88 -9.422 15.420 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP B 88 -8.707 16.384 -0.910 1.00 0.00 H new ATOM 1628 N ILE B 89 -5.987 17.509 -2.231 1.00 0.00 N ATOM 1629 CA ILE B 89 -4.882 18.219 -1.607 1.00 0.00 C ATOM 1630 C ILE B 89 -4.248 19.144 -2.624 1.00 0.00 C ATOM 1631 O ILE B 89 -4.092 20.341 -2.388 1.00 0.00 O ATOM 1632 CB ILE B 89 -3.817 17.247 -1.058 1.00 0.00 C ATOM 1633 CG1 ILE B 89 -4.449 16.277 -0.060 1.00 0.00 C ATOM 1634 CG2 ILE B 89 -2.679 18.017 -0.405 1.00 0.00 C ATOM 1635 CD1 ILE B 89 -5.379 15.272 -0.700 1.00 0.00 C ATOM 0 H ILE B 89 -5.714 16.650 -2.709 1.00 0.00 H new ATOM 0 HA ILE B 89 -5.276 18.791 -0.767 1.00 0.00 H new ATOM 0 HB ILE B 89 -3.410 16.673 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE B 89 -3.658 15.743 0.466 1.00 0.00 H new ATOM 0 HG13 ILE B 89 -5.001 16.846 0.687 1.00 0.00 H new ATOM 0 HG21 ILE B 89 -1.937 17.316 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE B 89 -2.214 18.673 -1.141 1.00 0.00 H new ATOM 0 HG23 ILE B 89 -3.070 18.615 0.418 1.00 0.00 H new ATOM 0 HD11 ILE B 89 -5.791 14.617 0.068 1.00 0.00 H new ATOM 0 HD12 ILE B 89 -6.191 15.797 -1.203 1.00 0.00 H new ATOM 0 HD13 ILE B 89 -4.827 14.677 -1.427 1.00 0.00 H new ATOM 1647 N GLU B 90 -3.924 18.579 -3.781 1.00 0.00 N ATOM 1648 CA GLU B 90 -3.351 19.353 -4.866 1.00 0.00 C ATOM 1649 C GLU B 90 -4.385 20.366 -5.347 1.00 0.00 C ATOM 1650 O GLU B 90 -4.046 21.383 -5.952 1.00 0.00 O ATOM 1651 CB GLU B 90 -2.935 18.426 -6.013 1.00 0.00 C ATOM 1652 CG GLU B 90 -2.487 19.164 -7.266 1.00 0.00 C ATOM 1653 CD GLU B 90 -3.433 18.960 -8.433 1.00 0.00 C ATOM 1654 OE1 GLU B 90 -3.336 17.909 -9.100 1.00 0.00 O ATOM 1655 OE2 GLU B 90 -4.271 19.853 -8.680 1.00 0.00 O ATOM 0 H GLU B 90 -4.050 17.588 -3.988 1.00 0.00 H new ATOM 0 HA GLU B 90 -2.463 19.879 -4.516 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -2.124 17.782 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -3.773 17.776 -6.265 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -2.410 20.229 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -1.491 18.823 -7.547 1.00 0.00 H new ATOM 1662 N ALA B 91 -5.653 20.078 -5.052 1.00 0.00 N ATOM 1663 CA ALA B 91 -6.754 20.949 -5.429 1.00 0.00 C ATOM 1664 C ALA B 91 -7.008 21.978 -4.337 1.00 0.00 C ATOM 1665 O ALA B 91 -7.094 23.175 -4.606 1.00 0.00 O ATOM 1666 CB ALA B 91 -8.010 20.132 -5.692 1.00 0.00 C ATOM 0 H ALA B 91 -5.939 19.239 -4.548 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.486 21.474 -6.346 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -8.825 20.799 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.822 19.427 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.283 19.585 -4.790 1.00 0.00 H new ATOM 1672 N LEU B 92 -7.104 21.506 -3.095 1.00 0.00 N ATOM 1673 CA LEU B 92 -7.319 22.403 -1.964 1.00 0.00 C ATOM 1674 C LEU B 92 -6.210 23.448 -1.918 1.00 0.00 C ATOM 1675 O LEU B 92 -6.395 24.550 -1.399 1.00 0.00 O ATOM 1676 CB LEU B 92 -7.354 21.619 -0.650 1.00 0.00 C ATOM 1677 CG LEU B 92 -8.728 21.071 -0.259 1.00 0.00 C ATOM 1678 CD1 LEU B 92 -8.592 19.999 0.812 1.00 0.00 C ATOM 1679 CD2 LEU B 92 -9.632 22.196 0.222 1.00 0.00 C ATOM 0 H LEU B 92 -7.037 20.518 -2.849 1.00 0.00 H new ATOM 0 HA LEU B 92 -8.280 22.901 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -6.655 20.786 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -6.996 22.266 0.151 1.00 0.00 H new ATOM 0 HG LEU B 92 -9.181 20.618 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -9.580 19.622 1.077 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -7.981 19.180 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -8.118 20.426 1.696 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -10.605 21.789 0.496 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -9.183 22.678 1.090 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -9.757 22.929 -0.575 1.00 0.00 H new ATOM 1691 N LEU B 93 -5.060 23.091 -2.484 1.00 0.00 N ATOM 1692 CA LEU B 93 -3.915 23.986 -2.533 1.00 0.00 C ATOM 1693 C LEU B 93 -3.904 24.753 -3.850 1.00 0.00 C ATOM 1694 O LEU B 93 -3.545 25.929 -3.890 1.00 0.00 O ATOM 1695 CB LEU B 93 -2.615 23.194 -2.375 1.00 0.00 C ATOM 1696 CG LEU B 93 -1.952 23.302 -0.999 1.00 0.00 C ATOM 1697 CD1 LEU B 93 -1.424 21.948 -0.550 1.00 0.00 C ATOM 1698 CD2 LEU B 93 -0.829 24.329 -1.030 1.00 0.00 C ATOM 0 H LEU B 93 -4.899 22.181 -2.917 1.00 0.00 H new ATOM 0 HA LEU B 93 -3.993 24.698 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU B 93 -2.820 22.143 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU B 93 -1.906 23.534 -3.130 1.00 0.00 H new ATOM 0 HG LEU B 93 -2.703 23.631 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU B 93 -0.957 22.046 0.430 1.00 0.00 H new ATOM 0 HD12 LEU B 93 -2.249 21.238 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU B 93 -0.688 21.588 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU B 93 -0.368 24.394 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 93 -0.080 24.027 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU B 93 -1.234 25.303 -1.306 1.00 0.00 H new ATOM 1710 N THR B 94 -4.307 24.083 -4.926 1.00 0.00 N ATOM 1711 CA THR B 94 -4.343 24.720 -6.239 1.00 0.00 C ATOM 1712 C THR B 94 -5.386 25.839 -6.272 1.00 0.00 C ATOM 1713 O THR B 94 -5.383 26.671 -7.179 1.00 0.00 O ATOM 1714 CB THR B 94 -4.633 23.681 -7.329 1.00 0.00 C ATOM 1715 OG1 THR B 94 -3.454 22.973 -7.668 1.00 0.00 O ATOM 1716 CG2 THR B 94 -5.185 24.273 -8.611 1.00 0.00 C ATOM 0 H THR B 94 -4.610 23.109 -4.916 1.00 0.00 H new ATOM 0 HA THR B 94 -3.365 25.162 -6.432 1.00 0.00 H new ATOM 0 HB THR B 94 -5.390 23.026 -6.898 1.00 0.00 H new ATOM 0 HG1 THR B 94 -3.163 22.436 -6.902 1.00 0.00 H new ATOM 0 HG21 THR B 94 -5.364 23.476 -9.332 1.00 0.00 H new ATOM 0 HG22 THR B 94 -6.122 24.789 -8.400 1.00 0.00 H new ATOM 0 HG23 THR B 94 -4.466 24.981 -9.024 1.00 0.00 H new ATOM 1724 N GLY B 95 -6.281 25.854 -5.287 1.00 0.00 N ATOM 1725 CA GLY B 95 -7.314 26.873 -5.240 1.00 0.00 C ATOM 1726 C GLY B 95 -7.313 27.669 -3.947 1.00 0.00 C ATOM 1727 O GLY B 95 -7.584 28.870 -3.956 1.00 0.00 O ATOM 0 H GLY B 95 -6.309 25.180 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY B 95 -7.180 27.556 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY B 95 -8.288 26.400 -5.367 1.00 0.00 H new ATOM 1731 N LEU B 96 -7.019 27.007 -2.830 1.00 0.00 N ATOM 1732 CA LEU B 96 -7.005 27.679 -1.534 1.00 0.00 C ATOM 1733 C LEU B 96 -5.595 28.082 -1.113 1.00 0.00 C ATOM 1734 O LEU B 96 -5.405 28.703 -0.068 1.00 0.00 O ATOM 1735 CB LEU B 96 -7.632 26.788 -0.464 1.00 0.00 C ATOM 1736 CG LEU B 96 -8.418 27.529 0.621 1.00 0.00 C ATOM 1737 CD1 LEU B 96 -9.683 26.765 0.982 1.00 0.00 C ATOM 1738 CD2 LEU B 96 -7.552 27.744 1.853 1.00 0.00 C ATOM 0 H LEU B 96 -6.789 26.014 -2.796 1.00 0.00 H new ATOM 0 HA LEU B 96 -7.594 28.590 -1.638 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -8.298 26.076 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.841 26.209 0.013 1.00 0.00 H new ATOM 0 HG LEU B 96 -8.708 28.504 0.230 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -10.228 27.308 1.755 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -10.312 26.664 0.098 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -9.417 25.775 1.353 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -8.127 28.272 2.614 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -7.231 26.779 2.245 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -6.677 28.335 1.584 1.00 0.00 H new ATOM 1750 N PHE B 97 -4.617 27.730 -1.936 1.00 0.00 N ATOM 1751 CA PHE B 97 -3.214 28.051 -1.670 1.00 0.00 C ATOM 1752 C PHE B 97 -2.872 27.909 -0.188 1.00 0.00 C ATOM 1753 O PHE B 97 -2.740 28.903 0.527 1.00 0.00 O ATOM 1754 CB PHE B 97 -2.898 29.469 -2.146 1.00 0.00 C ATOM 1755 CG PHE B 97 -3.898 30.496 -1.696 1.00 0.00 C ATOM 1756 CD1 PHE B 97 -5.059 30.714 -2.420 1.00 0.00 C ATOM 1757 CD2 PHE B 97 -3.675 31.244 -0.550 1.00 0.00 C ATOM 1758 CE1 PHE B 97 -5.981 31.659 -2.008 1.00 0.00 C ATOM 1759 CE2 PHE B 97 -4.592 32.190 -0.134 1.00 0.00 C ATOM 1760 CZ PHE B 97 -5.747 32.398 -0.865 1.00 0.00 C ATOM 0 H PHE B 97 -4.768 27.216 -2.804 1.00 0.00 H new ATOM 0 HA PHE B 97 -2.602 27.338 -2.223 1.00 0.00 H new ATOM 0 HB2 PHE B 97 -1.911 29.753 -1.782 1.00 0.00 H new ATOM 0 HB3 PHE B 97 -2.850 29.475 -3.235 1.00 0.00 H new ATOM 0 HD1 PHE B 97 -5.246 30.140 -3.315 1.00 0.00 H new ATOM 0 HD2 PHE B 97 -2.774 31.085 0.024 1.00 0.00 H new ATOM 0 HE1 PHE B 97 -6.883 31.819 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE B 97 -4.407 32.766 0.761 1.00 0.00 H new ATOM 0 HZ PHE B 97 -6.465 33.137 -0.543 1.00 0.00 H new ATOM 1770 N VAL B 98 -2.730 26.669 0.269 1.00 0.00 N ATOM 1771 CA VAL B 98 -2.403 26.404 1.664 1.00 0.00 C ATOM 1772 C VAL B 98 -0.955 26.778 1.968 1.00 0.00 C ATOM 1773 O VAL B 98 -0.062 26.557 1.151 1.00 0.00 O ATOM 1774 CB VAL B 98 -2.626 24.921 2.024 1.00 0.00 C ATOM 1775 CG1 VAL B 98 -2.384 24.685 3.507 1.00 0.00 C ATOM 1776 CG2 VAL B 98 -4.029 24.483 1.630 1.00 0.00 C ATOM 0 H VAL B 98 -2.836 25.833 -0.306 1.00 0.00 H new ATOM 0 HA VAL B 98 -3.070 27.019 2.268 1.00 0.00 H new ATOM 0 HB VAL B 98 -1.909 24.320 1.465 1.00 0.00 H new ATOM 0 HG11 VAL B 98 -2.547 23.633 3.739 1.00 0.00 H new ATOM 0 HG12 VAL B 98 -1.358 24.957 3.756 1.00 0.00 H new ATOM 0 HG13 VAL B 98 -3.073 25.296 4.090 1.00 0.00 H new ATOM 0 HG21 VAL B 98 -4.169 23.434 1.891 1.00 0.00 H new ATOM 0 HG22 VAL B 98 -4.762 25.090 2.161 1.00 0.00 H new ATOM 0 HG23 VAL B 98 -4.162 24.610 0.556 1.00 0.00 H new