USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 472 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 13 ASN : amide:sc= -0.0216 K(o=0.003,f=-0.88) USER MOD Set 1.2: A 25 TYR OH : rot -142:sc= 0.0246 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.556) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 27 GLN : amide:sc= -0.0802 X(o=-0.08,f=0) USER MOD Single : A 40 CYS SG : rot 14:sc= -0.61 USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -1.49 (180deg=-3.55!) USER MOD Single : A 42 CYS SG : rot 91:sc= 0.378 USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0.207 (180deg=-0.13) USER MOD Single : A 46 GLN : amide:sc= -0.0498 K(o=-0.05,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -173:sc= 0 (180deg=-0.11) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0223 (180deg=-0.248) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.87 K(o=-0.87,f=-4.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.12) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -156:sc= -0.0555 (180deg=-0.513) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -0.894 -4.050 -7.884 1.00 0.00 N ATOM 67 CA TYR A 8 -0.228 -4.132 -6.590 1.00 0.00 C ATOM 68 C TYR A 8 -1.106 -3.547 -5.488 1.00 0.00 C ATOM 69 O TYR A 8 -1.047 -3.980 -4.337 1.00 0.00 O ATOM 70 CB TYR A 8 1.112 -3.395 -6.635 1.00 0.00 C ATOM 71 CG TYR A 8 1.761 -3.401 -8.001 1.00 0.00 C ATOM 72 CD1 TYR A 8 1.342 -2.525 -8.994 1.00 0.00 C ATOM 73 CD2 TYR A 8 2.792 -4.284 -8.298 1.00 0.00 C ATOM 74 CE1 TYR A 8 1.931 -2.527 -10.244 1.00 0.00 C ATOM 75 CE2 TYR A 8 3.388 -4.292 -9.544 1.00 0.00 C ATOM 76 CZ TYR A 8 2.954 -3.412 -10.514 1.00 0.00 C ATOM 77 OH TYR A 8 3.544 -3.418 -11.757 1.00 0.00 O ATOM 0 HA TYR A 8 -0.049 -5.184 -6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 8 0.960 -2.363 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.793 -3.852 -5.917 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.542 -1.830 -8.786 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.133 -4.976 -7.542 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.592 -1.840 -11.005 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.190 -4.983 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 8 4.248 -4.100 -11.782 1.00 0.00 H new ATOM 87 N ILE A 9 -1.919 -2.560 -5.849 1.00 0.00 N ATOM 88 CA ILE A 9 -2.811 -1.916 -4.893 1.00 0.00 C ATOM 89 C ILE A 9 -3.311 -2.912 -3.851 1.00 0.00 C ATOM 90 O ILE A 9 -3.491 -2.567 -2.684 1.00 0.00 O ATOM 91 CB ILE A 9 -4.021 -1.275 -5.596 1.00 0.00 C ATOM 92 CG1 ILE A 9 -3.560 -0.430 -6.785 1.00 0.00 C ATOM 93 CG2 ILE A 9 -4.816 -0.427 -4.614 1.00 0.00 C ATOM 94 CD1 ILE A 9 -2.460 0.549 -6.440 1.00 0.00 C ATOM 0 H ILE A 9 -1.978 -2.189 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.233 -1.135 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.668 -2.069 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.211 -1.092 -7.577 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.413 0.120 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.668 0.020 -5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.172 -1.054 -3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.178 0.362 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.183 1.114 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.812 1.235 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.591 0.004 -6.071 1.00 0.00 H new ATOM 106 N GLY A 10 -3.530 -4.151 -4.282 1.00 0.00 N ATOM 107 CA GLY A 10 -4.006 -5.178 -3.374 1.00 0.00 C ATOM 108 C GLY A 10 -2.875 -5.994 -2.780 1.00 0.00 C ATOM 109 O GLY A 10 -2.947 -6.421 -1.626 1.00 0.00 O ATOM 0 H GLY A 10 -3.386 -4.461 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.576 -4.712 -2.570 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.689 -5.841 -3.906 1.00 0.00 H new ATOM 113 N LEU A 11 -1.829 -6.214 -3.568 1.00 0.00 N ATOM 114 CA LEU A 11 -0.678 -6.987 -3.113 1.00 0.00 C ATOM 115 C LEU A 11 -0.354 -6.676 -1.656 1.00 0.00 C ATOM 116 O LEU A 11 -0.110 -7.580 -0.856 1.00 0.00 O ATOM 117 CB LEU A 11 0.539 -6.692 -3.992 1.00 0.00 C ATOM 118 CG LEU A 11 0.634 -7.485 -5.296 1.00 0.00 C ATOM 119 CD1 LEU A 11 1.674 -6.871 -6.220 1.00 0.00 C ATOM 120 CD2 LEU A 11 0.966 -8.942 -5.010 1.00 0.00 C ATOM 0 H LEU A 11 -1.754 -5.868 -4.525 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.928 -8.045 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.537 -5.630 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.439 -6.883 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.334 -7.444 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.727 -7.449 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.394 -5.843 -6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.647 -6.880 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.030 -9.492 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.921 -9.002 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.185 -9.378 -4.387 1.00 0.00 H new ATOM 132 N VAL A 12 -0.356 -5.391 -1.315 1.00 0.00 N ATOM 133 CA VAL A 12 -0.066 -4.960 0.047 1.00 0.00 C ATOM 134 C VAL A 12 -1.082 -5.529 1.031 1.00 0.00 C ATOM 135 O VAL A 12 -0.723 -6.248 1.963 1.00 0.00 O ATOM 136 CB VAL A 12 -0.061 -3.424 0.161 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.137 -2.997 1.607 1.00 0.00 C ATOM 138 CG2 VAL A 12 1.016 -2.828 -0.732 1.00 0.00 C ATOM 0 H VAL A 12 -0.555 -4.630 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 12 0.926 -5.338 0.294 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.028 -3.048 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.138 -1.909 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.674 -3.394 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.089 -3.382 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.006 -1.742 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.991 -3.209 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.824 -3.105 -1.768 1.00 0.00 H new ATOM 148 N ASN A 13 -2.352 -5.201 0.817 1.00 0.00 N ATOM 149 CA ASN A 13 -3.421 -5.679 1.686 1.00 0.00 C ATOM 150 C ASN A 13 -3.180 -7.128 2.099 1.00 0.00 C ATOM 151 O ASN A 13 -3.186 -7.455 3.286 1.00 0.00 O ATOM 152 CB ASN A 13 -4.773 -5.557 0.980 1.00 0.00 C ATOM 153 CG ASN A 13 -5.329 -4.147 1.035 1.00 0.00 C ATOM 154 OD1 ASN A 13 -5.203 -3.457 2.047 1.00 0.00 O ATOM 155 ND2 ASN A 13 -5.949 -3.713 -0.056 1.00 0.00 N ATOM 0 H ASN A 13 -2.666 -4.607 0.050 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.429 -5.061 2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.665 -5.862 -0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.484 -6.243 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.344 -2.773 -0.078 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.030 -4.320 -0.872 1.00 0.00 H new ATOM 162 N SER A 14 -2.967 -7.992 1.111 1.00 0.00 N ATOM 163 CA SER A 14 -2.726 -9.406 1.371 1.00 0.00 C ATOM 164 C SER A 14 -1.350 -9.618 1.995 1.00 0.00 C ATOM 165 O SER A 14 -1.233 -10.118 3.114 1.00 0.00 O ATOM 166 CB SER A 14 -2.841 -10.211 0.075 1.00 0.00 C ATOM 167 OG SER A 14 -4.073 -9.956 -0.576 1.00 0.00 O ATOM 0 H SER A 14 -2.957 -7.737 0.123 1.00 0.00 H new ATOM 0 HA SER A 14 -3.482 -9.754 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.015 -9.956 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.756 -11.275 0.295 1.00 0.00 H new ATOM 0 HG SER A 14 -4.121 -10.481 -1.402 1.00 0.00 H new ATOM 173 N PHE A 15 -0.310 -9.233 1.262 1.00 0.00 N ATOM 174 CA PHE A 15 1.059 -9.380 1.741 1.00 0.00 C ATOM 175 C PHE A 15 1.140 -9.124 3.243 1.00 0.00 C ATOM 176 O PHE A 15 1.588 -9.979 4.006 1.00 0.00 O ATOM 177 CB PHE A 15 1.989 -8.420 0.997 1.00 0.00 C ATOM 178 CG PHE A 15 3.441 -8.615 1.326 1.00 0.00 C ATOM 179 CD1 PHE A 15 3.993 -8.034 2.456 1.00 0.00 C ATOM 180 CD2 PHE A 15 4.254 -9.381 0.506 1.00 0.00 C ATOM 181 CE1 PHE A 15 5.330 -8.211 2.761 1.00 0.00 C ATOM 182 CE2 PHE A 15 5.591 -9.563 0.806 1.00 0.00 C ATOM 183 CZ PHE A 15 6.129 -8.978 1.935 1.00 0.00 C ATOM 0 H PHE A 15 -0.390 -8.817 0.334 1.00 0.00 H new ATOM 0 HA PHE A 15 1.377 -10.404 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.848 -8.549 -0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.705 -7.395 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.372 -7.436 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.838 -9.841 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.749 -7.750 3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.214 -10.162 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.173 -9.120 2.172 1.00 0.00 H new ATOM 193 N ALA A 16 0.704 -7.939 3.659 1.00 0.00 N ATOM 194 CA ALA A 16 0.726 -7.569 5.069 1.00 0.00 C ATOM 195 C ALA A 16 0.205 -8.706 5.943 1.00 0.00 C ATOM 196 O ALA A 16 0.949 -9.278 6.739 1.00 0.00 O ATOM 197 CB ALA A 16 -0.094 -6.308 5.296 1.00 0.00 C ATOM 0 H ALA A 16 0.331 -7.219 3.040 1.00 0.00 H new ATOM 0 HA ALA A 16 1.760 -7.373 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.069 -6.043 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.324 -5.491 4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.125 -6.485 4.991 1.00 0.00 H new ATOM 203 N GLN A 17 -1.075 -9.026 5.788 1.00 0.00 N ATOM 204 CA GLN A 17 -1.694 -10.093 6.565 1.00 0.00 C ATOM 205 C GLN A 17 -0.878 -11.378 6.472 1.00 0.00 C ATOM 206 O GLN A 17 -0.593 -12.020 7.484 1.00 0.00 O ATOM 207 CB GLN A 17 -3.122 -10.346 6.077 1.00 0.00 C ATOM 208 CG GLN A 17 -4.018 -10.988 7.124 1.00 0.00 C ATOM 209 CD GLN A 17 -3.593 -12.402 7.468 1.00 0.00 C ATOM 210 OE1 GLN A 17 -3.066 -13.127 6.624 1.00 0.00 O ATOM 211 NE2 GLN A 17 -3.821 -12.802 8.714 1.00 0.00 N ATOM 0 H GLN A 17 -1.703 -8.562 5.132 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.724 -9.778 7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.563 -9.400 5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.088 -10.988 5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.007 -10.379 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.045 -11.000 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.260 -12.168 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.557 -13.744 9.004 1.00 0.00 H new ATOM 220 N LYS A 18 -0.504 -11.749 5.252 1.00 0.00 N ATOM 221 CA LYS A 18 0.281 -12.957 5.026 1.00 0.00 C ATOM 222 C LYS A 18 1.554 -12.943 5.865 1.00 0.00 C ATOM 223 O LYS A 18 1.975 -13.974 6.391 1.00 0.00 O ATOM 224 CB LYS A 18 0.636 -13.088 3.543 1.00 0.00 C ATOM 225 CG LYS A 18 -0.412 -13.828 2.730 1.00 0.00 C ATOM 226 CD LYS A 18 0.120 -14.225 1.364 1.00 0.00 C ATOM 227 CE LYS A 18 -1.009 -14.463 0.373 1.00 0.00 C ATOM 228 NZ LYS A 18 -0.540 -14.363 -1.037 1.00 0.00 N ATOM 0 H LYS A 18 -0.732 -11.230 4.404 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.322 -13.814 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.774 -12.092 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.589 -13.608 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.730 -14.719 3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.292 -13.197 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.777 -13.442 0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.722 -15.129 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.440 -15.450 0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.802 -13.735 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.339 -14.531 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.152 -13.413 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.199 -15.075 -1.208 1.00 0.00 H new ATOM 242 N LYS A 19 2.164 -11.769 5.989 1.00 0.00 N ATOM 243 CA LYS A 19 3.388 -11.620 6.767 1.00 0.00 C ATOM 244 C LYS A 19 3.073 -11.232 8.208 1.00 0.00 C ATOM 245 O LYS A 19 3.938 -10.742 8.934 1.00 0.00 O ATOM 246 CB LYS A 19 4.296 -10.565 6.131 1.00 0.00 C ATOM 247 CG LYS A 19 5.255 -11.131 5.098 1.00 0.00 C ATOM 248 CD LYS A 19 4.519 -11.621 3.862 1.00 0.00 C ATOM 249 CE LYS A 19 5.457 -12.337 2.902 1.00 0.00 C ATOM 250 NZ LYS A 19 5.752 -13.727 3.347 1.00 0.00 N ATOM 0 H LYS A 19 1.830 -10.906 5.560 1.00 0.00 H new ATOM 0 HA LYS A 19 3.904 -12.580 6.772 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.677 -9.801 5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.870 -10.071 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.977 -10.366 4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.819 -11.954 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.716 -12.296 4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.054 -10.776 3.355 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.010 -12.361 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.388 -11.777 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.394 -14.181 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.202 -13.703 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.866 -14.269 3.402 1.00 0.00 H new ATOM 264 N LYS A 20 1.829 -11.454 8.618 1.00 0.00 N ATOM 265 CA LYS A 20 1.399 -11.131 9.973 1.00 0.00 C ATOM 266 C LYS A 20 1.812 -9.712 10.351 1.00 0.00 C ATOM 267 O LYS A 20 2.076 -9.421 11.518 1.00 0.00 O ATOM 268 CB LYS A 20 1.992 -12.129 10.970 1.00 0.00 C ATOM 269 CG LYS A 20 1.144 -13.374 11.161 1.00 0.00 C ATOM 270 CD LYS A 20 1.610 -14.188 12.357 1.00 0.00 C ATOM 271 CE LYS A 20 2.701 -15.175 11.970 1.00 0.00 C ATOM 272 NZ LYS A 20 4.056 -14.563 12.050 1.00 0.00 N ATOM 0 H LYS A 20 1.100 -11.857 8.030 1.00 0.00 H new ATOM 0 HA LYS A 20 0.311 -11.195 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.984 -12.424 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.120 -11.635 11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.101 -13.088 11.299 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.190 -13.988 10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.983 -13.518 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.764 -14.728 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.655 -16.043 12.627 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.524 -15.533 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.566 -14.732 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.966 -13.539 12.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.584 -14.990 12.838 1.00 0.00 H new ATOM 286 N LEU A 21 1.866 -8.832 9.357 1.00 0.00 N ATOM 287 CA LEU A 21 2.246 -7.442 9.585 1.00 0.00 C ATOM 288 C LEU A 21 1.013 -6.568 9.794 1.00 0.00 C ATOM 289 O LEU A 21 -0.119 -7.028 9.643 1.00 0.00 O ATOM 290 CB LEU A 21 3.064 -6.916 8.405 1.00 0.00 C ATOM 291 CG LEU A 21 4.542 -7.308 8.386 1.00 0.00 C ATOM 292 CD1 LEU A 21 5.132 -7.099 7.000 1.00 0.00 C ATOM 293 CD2 LEU A 21 5.319 -6.511 9.424 1.00 0.00 C ATOM 0 H LEU A 21 1.651 -9.056 8.385 1.00 0.00 H new ATOM 0 HA LEU A 21 2.855 -7.401 10.488 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.603 -7.269 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.997 -5.828 8.398 1.00 0.00 H new ATOM 0 HG LEU A 21 4.620 -8.366 8.636 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.184 -7.383 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.594 -7.714 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.041 -6.049 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.369 -6.803 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.233 -5.447 9.205 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.913 -6.711 10.415 1.00 0.00 H new ATOM 305 N SER A 22 1.241 -5.305 10.140 1.00 0.00 N ATOM 306 CA SER A 22 0.149 -4.367 10.370 1.00 0.00 C ATOM 307 C SER A 22 0.205 -3.213 9.374 1.00 0.00 C ATOM 308 O SER A 22 1.192 -2.479 9.310 1.00 0.00 O ATOM 309 CB SER A 22 0.208 -3.824 11.800 1.00 0.00 C ATOM 310 OG SER A 22 -0.502 -4.663 12.694 1.00 0.00 O ATOM 0 H SER A 22 2.172 -4.908 10.267 1.00 0.00 H new ATOM 0 HA SER A 22 -0.791 -4.900 10.229 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.247 -3.744 12.119 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.213 -2.819 11.828 1.00 0.00 H new ATOM 0 HG SER A 22 -0.448 -4.295 13.601 1.00 0.00 H new ATOM 316 N VAL A 23 -0.862 -3.059 8.596 1.00 0.00 N ATOM 317 CA VAL A 23 -0.937 -1.994 7.603 1.00 0.00 C ATOM 318 C VAL A 23 -1.834 -0.858 8.081 1.00 0.00 C ATOM 319 O VAL A 23 -2.952 -1.088 8.541 1.00 0.00 O ATOM 320 CB VAL A 23 -1.467 -2.520 6.255 1.00 0.00 C ATOM 321 CG1 VAL A 23 -2.987 -2.557 6.257 1.00 0.00 C ATOM 322 CG2 VAL A 23 -0.946 -1.666 5.109 1.00 0.00 C ATOM 0 H VAL A 23 -1.686 -3.658 8.634 1.00 0.00 H new ATOM 0 HA VAL A 23 0.077 -1.618 7.465 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.104 -3.538 6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.343 -2.931 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.334 -3.215 7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.375 -1.552 6.421 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.330 -2.051 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.278 -0.636 5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.143 -1.698 5.098 1.00 0.00 H new ATOM 332 N ASN A 24 -1.337 0.369 7.968 1.00 0.00 N ATOM 333 CA ASN A 24 -2.094 1.542 8.389 1.00 0.00 C ATOM 334 C ASN A 24 -2.173 2.571 7.265 1.00 0.00 C ATOM 335 O ASN A 24 -1.298 2.629 6.400 1.00 0.00 O ATOM 336 CB ASN A 24 -1.453 2.172 9.627 1.00 0.00 C ATOM 337 CG ASN A 24 -2.457 2.922 10.480 1.00 0.00 C ATOM 338 OD1 ASN A 24 -3.665 2.719 10.359 1.00 0.00 O ATOM 339 ND2 ASN A 24 -1.960 3.796 11.348 1.00 0.00 N ATOM 0 H ASN A 24 -0.413 0.577 7.588 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.106 1.220 8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.983 1.392 10.226 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.663 2.855 9.316 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.587 4.331 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.951 3.932 11.414 1.00 0.00 H new ATOM 346 N TYR A 25 -3.226 3.380 7.284 1.00 0.00 N ATOM 347 CA TYR A 25 -3.420 4.406 6.266 1.00 0.00 C ATOM 348 C TYR A 25 -3.762 5.749 6.904 1.00 0.00 C ATOM 349 O TYR A 25 -4.901 5.985 7.305 1.00 0.00 O ATOM 350 CB TYR A 25 -4.530 3.990 5.299 1.00 0.00 C ATOM 351 CG TYR A 25 -4.241 2.702 4.563 1.00 0.00 C ATOM 352 CD1 TYR A 25 -3.498 2.700 3.389 1.00 0.00 C ATOM 353 CD2 TYR A 25 -4.711 1.485 5.042 1.00 0.00 C ATOM 354 CE1 TYR A 25 -3.233 1.525 2.713 1.00 0.00 C ATOM 355 CE2 TYR A 25 -4.449 0.305 4.373 1.00 0.00 C ATOM 356 CZ TYR A 25 -3.710 0.330 3.209 1.00 0.00 C ATOM 357 OH TYR A 25 -3.447 -0.843 2.539 1.00 0.00 O ATOM 0 H TYR A 25 -3.958 3.345 7.993 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.487 4.515 5.713 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.462 3.880 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.684 4.787 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.121 3.634 2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.291 1.461 5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.655 1.542 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.821 -0.632 4.760 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.233 -1.426 2.580 1.00 0.00 H new ATOM 367 N GLU A 26 -2.766 6.625 6.993 1.00 0.00 N ATOM 368 CA GLU A 26 -2.960 7.945 7.582 1.00 0.00 C ATOM 369 C GLU A 26 -3.390 8.955 6.522 1.00 0.00 C ATOM 370 O GLU A 26 -2.861 8.967 5.411 1.00 0.00 O ATOM 371 CB GLU A 26 -1.675 8.418 8.262 1.00 0.00 C ATOM 372 CG GLU A 26 -1.263 7.564 9.449 1.00 0.00 C ATOM 373 CD GLU A 26 0.030 8.033 10.086 1.00 0.00 C ATOM 374 OE1 GLU A 26 0.149 9.245 10.362 1.00 0.00 O ATOM 375 OE2 GLU A 26 0.924 7.189 10.307 1.00 0.00 O ATOM 0 H GLU A 26 -1.817 6.445 6.665 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.750 7.869 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.867 8.422 7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.808 9.447 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.057 7.579 10.195 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.149 6.529 9.125 1.00 0.00 H new ATOM 382 N GLN A 27 -4.354 9.800 6.875 1.00 0.00 N ATOM 383 CA GLN A 27 -4.856 10.813 5.955 1.00 0.00 C ATOM 384 C GLN A 27 -4.513 12.215 6.448 1.00 0.00 C ATOM 385 O GLN A 27 -4.591 12.499 7.644 1.00 0.00 O ATOM 386 CB GLN A 27 -6.370 10.675 5.788 1.00 0.00 C ATOM 387 CG GLN A 27 -6.993 11.780 4.950 1.00 0.00 C ATOM 388 CD GLN A 27 -8.436 12.055 5.325 1.00 0.00 C ATOM 389 OE1 GLN A 27 -8.864 13.207 5.390 1.00 0.00 O ATOM 390 NE2 GLN A 27 -9.195 10.994 5.575 1.00 0.00 N ATOM 0 H GLN A 27 -4.802 9.803 7.791 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.375 10.660 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.590 9.712 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.837 10.670 6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.410 12.693 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.942 11.505 3.897 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.799 10.056 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.174 11.117 5.833 1.00 0.00 H new ATOM 553 N PHE A 38 -6.938 14.505 -2.116 1.00 0.00 N ATOM 554 CA PHE A 38 -6.810 13.705 -0.903 1.00 0.00 C ATOM 555 C PHE A 38 -5.477 12.961 -0.880 1.00 0.00 C ATOM 556 O PHE A 38 -4.891 12.684 -1.927 1.00 0.00 O ATOM 557 CB PHE A 38 -7.965 12.707 -0.801 1.00 0.00 C ATOM 558 CG PHE A 38 -9.179 13.263 -0.114 1.00 0.00 C ATOM 559 CD1 PHE A 38 -9.905 14.294 -0.688 1.00 0.00 C ATOM 560 CD2 PHE A 38 -9.594 12.756 1.107 1.00 0.00 C ATOM 561 CE1 PHE A 38 -11.023 14.809 -0.058 1.00 0.00 C ATOM 562 CE2 PHE A 38 -10.711 13.266 1.741 1.00 0.00 C ATOM 563 CZ PHE A 38 -11.426 14.294 1.158 1.00 0.00 C ATOM 0 HA PHE A 38 -6.845 14.380 -0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.242 12.381 -1.803 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.625 11.824 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.594 14.700 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.038 11.953 1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.580 15.613 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.025 12.861 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 38 -12.299 14.694 1.652 1.00 0.00 H new ATOM 573 N ILE A 39 -5.005 12.643 0.320 1.00 0.00 N ATOM 574 CA ILE A 39 -3.743 11.932 0.479 1.00 0.00 C ATOM 575 C ILE A 39 -3.903 10.727 1.400 1.00 0.00 C ATOM 576 O ILE A 39 -4.705 10.749 2.334 1.00 0.00 O ATOM 577 CB ILE A 39 -2.645 12.853 1.044 1.00 0.00 C ATOM 578 CG1 ILE A 39 -2.518 14.115 0.189 1.00 0.00 C ATOM 579 CG2 ILE A 39 -1.316 12.114 1.110 1.00 0.00 C ATOM 580 CD1 ILE A 39 -1.558 13.964 -0.971 1.00 0.00 C ATOM 0 H ILE A 39 -5.477 12.866 1.196 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.446 11.592 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.924 13.149 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.502 14.384 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.186 14.940 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.550 12.778 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.416 11.242 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.029 11.792 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.518 14.897 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.564 13.725 -0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.900 13.161 -1.624 1.00 0.00 H new ATOM 592 N CYS A 40 -3.134 9.677 1.132 1.00 0.00 N ATOM 593 CA CYS A 40 -3.189 8.463 1.937 1.00 0.00 C ATOM 594 C CYS A 40 -1.794 7.883 2.143 1.00 0.00 C ATOM 595 O CYS A 40 -1.207 7.306 1.227 1.00 0.00 O ATOM 596 CB CYS A 40 -4.093 7.424 1.269 1.00 0.00 C ATOM 597 SG CYS A 40 -5.858 7.798 1.387 1.00 0.00 S ATOM 0 H CYS A 40 -2.465 9.643 0.363 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.602 8.722 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.819 7.342 0.217 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.907 6.451 1.723 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.016 9.033 1.763 1.00 0.00 H new ATOM 603 N LYS A 41 -1.266 8.041 3.352 1.00 0.00 N ATOM 604 CA LYS A 41 0.061 7.534 3.680 1.00 0.00 C ATOM 605 C LYS A 41 -0.025 6.138 4.290 1.00 0.00 C ATOM 606 O LYS A 41 -0.559 5.961 5.385 1.00 0.00 O ATOM 607 CB LYS A 41 0.767 8.483 4.652 1.00 0.00 C ATOM 608 CG LYS A 41 2.257 8.222 4.784 1.00 0.00 C ATOM 609 CD LYS A 41 2.936 9.281 5.636 1.00 0.00 C ATOM 610 CE LYS A 41 2.765 10.670 5.039 1.00 0.00 C ATOM 611 NZ LYS A 41 1.491 11.307 5.474 1.00 0.00 N ATOM 0 H LYS A 41 -1.737 8.517 4.121 1.00 0.00 H new ATOM 0 HA LYS A 41 0.637 7.474 2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.615 9.510 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.303 8.394 5.634 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.417 7.239 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.713 8.203 3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.518 9.262 6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.998 9.051 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.605 11.299 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.785 10.603 3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.877 11.455 4.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.009 10.689 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.696 12.223 5.921 1.00 0.00 H new ATOM 625 N CYS A 42 0.505 5.152 3.575 1.00 0.00 N ATOM 626 CA CYS A 42 0.488 3.772 4.046 1.00 0.00 C ATOM 627 C CYS A 42 1.656 3.506 4.991 1.00 0.00 C ATOM 628 O CYS A 42 2.817 3.529 4.582 1.00 0.00 O ATOM 629 CB CYS A 42 0.544 2.806 2.862 1.00 0.00 C ATOM 630 SG CYS A 42 0.292 1.072 3.310 1.00 0.00 S ATOM 0 H CYS A 42 0.952 5.282 2.667 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.442 3.612 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.214 3.096 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.512 2.906 2.371 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.972 0.781 3.224 1.00 0.00 H new ATOM 636 N LYS A 43 1.341 3.254 6.257 1.00 0.00 N ATOM 637 CA LYS A 43 2.363 2.984 7.261 1.00 0.00 C ATOM 638 C LYS A 43 2.272 1.544 7.755 1.00 0.00 C ATOM 639 O LYS A 43 1.257 1.135 8.320 1.00 0.00 O ATOM 640 CB LYS A 43 2.217 3.949 8.439 1.00 0.00 C ATOM 641 CG LYS A 43 2.811 5.322 8.178 1.00 0.00 C ATOM 642 CD LYS A 43 4.277 5.380 8.574 1.00 0.00 C ATOM 643 CE LYS A 43 4.444 5.764 10.037 1.00 0.00 C ATOM 644 NZ LYS A 43 5.879 5.879 10.419 1.00 0.00 N ATOM 0 H LYS A 43 0.385 3.231 6.612 1.00 0.00 H new ATOM 0 HA LYS A 43 3.339 3.130 6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.159 4.060 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.698 3.515 9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.709 5.569 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.252 6.073 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.742 4.410 8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.797 6.103 7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.941 6.713 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.959 5.018 10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.079 5.239 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.476 5.620 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.085 6.858 10.703 1.00 0.00 H new ATOM 658 N ILE A 44 3.339 0.781 7.541 1.00 0.00 N ATOM 659 CA ILE A 44 3.380 -0.612 7.968 1.00 0.00 C ATOM 660 C ILE A 44 4.030 -0.748 9.340 1.00 0.00 C ATOM 661 O ILE A 44 5.247 -0.632 9.476 1.00 0.00 O ATOM 662 CB ILE A 44 4.148 -1.487 6.960 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.788 -1.088 5.527 1.00 0.00 C ATOM 664 CG2 ILE A 44 3.844 -2.959 7.197 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.473 -1.664 5.051 1.00 0.00 C ATOM 0 H ILE A 44 4.186 1.104 7.074 1.00 0.00 H new ATOM 0 HA ILE A 44 2.347 -0.956 8.023 1.00 0.00 H new ATOM 0 HB ILE A 44 5.217 -1.328 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.744 -0.001 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.583 -1.416 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.394 -3.565 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.145 -3.235 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.775 -3.134 7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.283 -1.340 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.519 -2.753 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.668 -1.316 5.698 1.00 0.00 H new ATOM 677 N GLY A 45 3.209 -0.995 10.356 1.00 0.00 N ATOM 678 CA GLY A 45 3.722 -1.145 11.705 1.00 0.00 C ATOM 679 C GLY A 45 4.511 0.066 12.163 1.00 0.00 C ATOM 680 O GLY A 45 5.586 -0.071 12.747 1.00 0.00 O ATOM 0 H GLY A 45 2.198 -1.094 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.891 -1.314 12.390 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.358 -2.029 11.752 1.00 0.00 H new ATOM 684 N GLN A 46 3.978 1.254 11.896 1.00 0.00 N ATOM 685 CA GLN A 46 4.642 2.493 12.282 1.00 0.00 C ATOM 686 C GLN A 46 5.871 2.745 11.416 1.00 0.00 C ATOM 687 O GLN A 46 6.808 3.428 11.831 1.00 0.00 O ATOM 688 CB GLN A 46 5.044 2.442 13.757 1.00 0.00 C ATOM 689 CG GLN A 46 5.285 3.812 14.370 1.00 0.00 C ATOM 690 CD GLN A 46 4.002 4.596 14.568 1.00 0.00 C ATOM 691 OE1 GLN A 46 2.912 4.025 14.608 1.00 0.00 O ATOM 692 NE2 GLN A 46 4.126 5.912 14.695 1.00 0.00 N ATOM 0 H GLN A 46 3.089 1.384 11.414 1.00 0.00 H new ATOM 0 HA GLN A 46 3.941 3.314 12.132 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.262 1.934 14.321 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.950 1.844 13.858 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.786 3.693 15.331 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.958 4.380 13.728 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.049 6.343 14.656 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.298 6.491 14.832 1.00 0.00 H new ATOM 701 N THR A 47 5.863 2.189 10.208 1.00 0.00 N ATOM 702 CA THR A 47 6.977 2.352 9.284 1.00 0.00 C ATOM 703 C THR A 47 6.508 2.927 7.952 1.00 0.00 C ATOM 704 O THR A 47 5.764 2.281 7.215 1.00 0.00 O ATOM 705 CB THR A 47 7.695 1.013 9.028 1.00 0.00 C ATOM 706 OG1 THR A 47 8.060 0.407 10.273 1.00 0.00 O ATOM 707 CG2 THR A 47 8.938 1.220 8.175 1.00 0.00 C ATOM 0 H THR A 47 5.096 1.621 9.847 1.00 0.00 H new ATOM 0 HA THR A 47 7.675 3.047 9.751 1.00 0.00 H new ATOM 0 HB THR A 47 7.011 0.356 8.491 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.514 -0.444 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.428 0.261 8.008 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.653 1.654 7.217 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.624 1.893 8.689 1.00 0.00 H new ATOM 715 N MET A 48 6.947 4.144 7.650 1.00 0.00 N ATOM 716 CA MET A 48 6.573 4.804 6.405 1.00 0.00 C ATOM 717 C MET A 48 7.145 4.061 5.202 1.00 0.00 C ATOM 718 O MET A 48 8.354 4.071 4.972 1.00 0.00 O ATOM 719 CB MET A 48 7.063 6.254 6.404 1.00 0.00 C ATOM 720 CG MET A 48 6.700 7.017 5.141 1.00 0.00 C ATOM 721 SD MET A 48 7.925 6.819 3.834 1.00 0.00 S ATOM 722 CE MET A 48 6.891 6.948 2.377 1.00 0.00 C ATOM 0 H MET A 48 7.562 4.693 8.250 1.00 0.00 H new ATOM 0 HA MET A 48 5.486 4.795 6.331 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.641 6.772 7.265 1.00 0.00 H new ATOM 0 HB3 MET A 48 8.146 6.263 6.525 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.730 6.674 4.780 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.595 8.076 5.378 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.483 6.722 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.066 6.240 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.495 7.961 2.301 1.00 0.00 H new ATOM 732 N TYR A 49 6.268 3.418 4.439 1.00 0.00 N ATOM 733 CA TYR A 49 6.687 2.668 3.261 1.00 0.00 C ATOM 734 C TYR A 49 6.348 3.428 1.982 1.00 0.00 C ATOM 735 O TYR A 49 7.223 3.714 1.166 1.00 0.00 O ATOM 736 CB TYR A 49 6.019 1.292 3.242 1.00 0.00 C ATOM 737 CG TYR A 49 6.818 0.221 3.948 1.00 0.00 C ATOM 738 CD1 TYR A 49 7.762 -0.535 3.263 1.00 0.00 C ATOM 739 CD2 TYR A 49 6.631 -0.035 5.301 1.00 0.00 C ATOM 740 CE1 TYR A 49 8.494 -1.515 3.904 1.00 0.00 C ATOM 741 CE2 TYR A 49 7.360 -1.012 5.951 1.00 0.00 C ATOM 742 CZ TYR A 49 8.290 -1.750 5.248 1.00 0.00 C ATOM 743 OH TYR A 49 9.018 -2.725 5.890 1.00 0.00 O ATOM 0 H TYR A 49 5.263 3.401 4.615 1.00 0.00 H new ATOM 0 HA TYR A 49 7.768 2.539 3.310 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.037 1.368 3.709 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.858 0.990 2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.926 -0.353 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.903 0.540 5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.222 -2.094 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.203 -1.197 7.003 1.00 0.00 H new ATOM 0 HH TYR A 49 8.754 -2.762 6.833 1.00 0.00 H new ATOM 753 N GLY A 50 5.070 3.751 1.815 1.00 0.00 N ATOM 754 CA GLY A 50 4.636 4.475 0.634 1.00 0.00 C ATOM 755 C GLY A 50 3.411 5.329 0.895 1.00 0.00 C ATOM 756 O GLY A 50 2.743 5.175 1.918 1.00 0.00 O ATOM 0 H GLY A 50 4.327 3.525 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.449 5.110 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.417 3.765 -0.164 1.00 0.00 H new ATOM 760 N THR A 51 3.114 6.235 -0.032 1.00 0.00 N ATOM 761 CA THR A 51 1.963 7.118 0.104 1.00 0.00 C ATOM 762 C THR A 51 1.280 7.341 -1.241 1.00 0.00 C ATOM 763 O THR A 51 1.899 7.198 -2.294 1.00 0.00 O ATOM 764 CB THR A 51 2.368 8.482 0.693 1.00 0.00 C ATOM 765 OG1 THR A 51 1.217 9.146 1.228 1.00 0.00 O ATOM 766 CG2 THR A 51 3.019 9.358 -0.367 1.00 0.00 C ATOM 0 H THR A 51 3.655 6.376 -0.885 1.00 0.00 H new ATOM 0 HA THR A 51 1.267 6.628 0.786 1.00 0.00 H new ATOM 0 HB THR A 51 3.090 8.308 1.491 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.483 10.012 1.602 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.296 10.316 0.073 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.911 8.863 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.317 9.524 -1.184 1.00 0.00 H new ATOM 774 N GLY A 52 -0.002 7.694 -1.197 1.00 0.00 N ATOM 775 CA GLY A 52 -0.748 7.932 -2.419 1.00 0.00 C ATOM 776 C GLY A 52 -1.534 9.227 -2.375 1.00 0.00 C ATOM 777 O GLY A 52 -1.796 9.766 -1.300 1.00 0.00 O ATOM 0 H GLY A 52 -0.536 7.819 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.059 7.957 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.432 7.101 -2.591 1.00 0.00 H new ATOM 781 N SER A 53 -1.911 9.729 -3.547 1.00 0.00 N ATOM 782 CA SER A 53 -2.667 10.972 -3.638 1.00 0.00 C ATOM 783 C SER A 53 -3.651 10.925 -4.803 1.00 0.00 C ATOM 784 O SER A 53 -3.306 10.500 -5.905 1.00 0.00 O ATOM 785 CB SER A 53 -1.718 12.161 -3.805 1.00 0.00 C ATOM 786 OG SER A 53 -1.049 12.107 -5.053 1.00 0.00 O ATOM 0 H SER A 53 -1.705 9.294 -4.446 1.00 0.00 H new ATOM 0 HA SER A 53 -3.231 11.094 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.280 13.092 -3.730 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.987 12.163 -2.997 1.00 0.00 H new ATOM 0 HG SER A 53 -0.450 12.878 -5.137 1.00 0.00 H new ATOM 792 N GLY A 54 -4.880 11.365 -4.550 1.00 0.00 N ATOM 793 CA GLY A 54 -5.896 11.365 -5.587 1.00 0.00 C ATOM 794 C GLY A 54 -7.112 12.187 -5.207 1.00 0.00 C ATOM 795 O GLY A 54 -7.410 12.358 -4.025 1.00 0.00 O ATOM 0 H GLY A 54 -5.190 11.721 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.469 11.758 -6.510 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.204 10.339 -5.790 1.00 0.00 H new ATOM 799 N VAL A 55 -7.816 12.699 -6.212 1.00 0.00 N ATOM 800 CA VAL A 55 -9.006 13.508 -5.977 1.00 0.00 C ATOM 801 C VAL A 55 -9.947 12.827 -4.990 1.00 0.00 C ATOM 802 O VAL A 55 -10.741 13.485 -4.317 1.00 0.00 O ATOM 803 CB VAL A 55 -9.765 13.782 -7.289 1.00 0.00 C ATOM 804 CG1 VAL A 55 -8.931 14.650 -8.218 1.00 0.00 C ATOM 805 CG2 VAL A 55 -10.147 12.475 -7.966 1.00 0.00 C ATOM 0 H VAL A 55 -7.583 12.568 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.668 14.455 -5.557 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.681 14.323 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.484 14.833 -9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.714 15.601 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.996 14.140 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.682 12.687 -8.891 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.246 11.905 -8.191 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.787 11.895 -7.302 1.00 0.00 H new ATOM 815 N THR A 56 -9.854 11.503 -4.908 1.00 0.00 N ATOM 816 CA THR A 56 -10.698 10.732 -4.004 1.00 0.00 C ATOM 817 C THR A 56 -9.860 9.822 -3.113 1.00 0.00 C ATOM 818 O THR A 56 -8.834 9.292 -3.539 1.00 0.00 O ATOM 819 CB THR A 56 -11.717 9.877 -4.779 1.00 0.00 C ATOM 820 OG1 THR A 56 -12.242 10.621 -5.884 1.00 0.00 O ATOM 821 CG2 THR A 56 -12.855 9.436 -3.871 1.00 0.00 C ATOM 0 H THR A 56 -9.202 10.943 -5.457 1.00 0.00 H new ATOM 0 HA THR A 56 -11.235 11.449 -3.383 1.00 0.00 H new ATOM 0 HB THR A 56 -11.205 8.989 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.888 10.069 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.562 8.833 -4.441 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.455 8.844 -3.047 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.364 10.314 -3.473 1.00 0.00 H new ATOM 829 N LYS A 57 -10.305 9.643 -1.874 1.00 0.00 N ATOM 830 CA LYS A 57 -9.598 8.795 -0.922 1.00 0.00 C ATOM 831 C LYS A 57 -9.059 7.542 -1.605 1.00 0.00 C ATOM 832 O LYS A 57 -7.848 7.344 -1.693 1.00 0.00 O ATOM 833 CB LYS A 57 -10.526 8.402 0.230 1.00 0.00 C ATOM 834 CG LYS A 57 -10.801 9.535 1.203 1.00 0.00 C ATOM 835 CD LYS A 57 -9.764 9.580 2.313 1.00 0.00 C ATOM 836 CE LYS A 57 -9.978 8.462 3.322 1.00 0.00 C ATOM 837 NZ LYS A 57 -11.225 8.660 4.113 1.00 0.00 N ATOM 0 H LYS A 57 -11.153 10.074 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.756 9.362 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.472 8.049 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.083 7.567 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.803 10.484 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.794 9.411 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.766 9.497 1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.814 10.544 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.027 7.506 2.800 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.124 8.413 3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.203 8.050 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.294 9.655 4.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.049 8.414 3.529 1.00 0.00 H new ATOM 851 N GLN A 58 -9.968 6.700 -2.088 1.00 0.00 N ATOM 852 CA GLN A 58 -9.583 5.467 -2.764 1.00 0.00 C ATOM 853 C GLN A 58 -8.357 5.688 -3.644 1.00 0.00 C ATOM 854 O GLN A 58 -7.287 5.141 -3.382 1.00 0.00 O ATOM 855 CB GLN A 58 -10.743 4.940 -3.609 1.00 0.00 C ATOM 856 CG GLN A 58 -10.611 3.470 -3.976 1.00 0.00 C ATOM 857 CD GLN A 58 -11.190 2.551 -2.919 1.00 0.00 C ATOM 858 OE1 GLN A 58 -10.747 2.550 -1.770 1.00 0.00 O ATOM 859 NE2 GLN A 58 -12.187 1.761 -3.302 1.00 0.00 N ATOM 0 H GLN A 58 -10.975 6.849 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.333 4.728 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.675 5.087 -3.063 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.812 5.529 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -11.116 3.290 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -9.558 3.229 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.523 1.794 -4.264 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.616 1.121 -2.634 1.00 0.00 H new ATOM 868 N GLU A 59 -8.522 6.494 -4.688 1.00 0.00 N ATOM 869 CA GLU A 59 -7.428 6.787 -5.607 1.00 0.00 C ATOM 870 C GLU A 59 -6.094 6.837 -4.867 1.00 0.00 C ATOM 871 O GLU A 59 -5.109 6.241 -5.300 1.00 0.00 O ATOM 872 CB GLU A 59 -7.676 8.115 -6.324 1.00 0.00 C ATOM 873 CG GLU A 59 -6.602 8.468 -7.340 1.00 0.00 C ATOM 874 CD GLU A 59 -6.704 7.641 -8.607 1.00 0.00 C ATOM 875 OE1 GLU A 59 -7.711 7.783 -9.330 1.00 0.00 O ATOM 876 OE2 GLU A 59 -5.774 6.851 -8.874 1.00 0.00 O ATOM 0 H GLU A 59 -9.402 6.955 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.384 5.987 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.641 8.071 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.739 8.912 -5.583 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.680 9.525 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.620 8.319 -6.891 1.00 0.00 H new ATOM 883 N ALA A 60 -6.072 7.553 -3.747 1.00 0.00 N ATOM 884 CA ALA A 60 -4.861 7.680 -2.946 1.00 0.00 C ATOM 885 C ALA A 60 -4.534 6.373 -2.233 1.00 0.00 C ATOM 886 O ALA A 60 -3.558 5.700 -2.565 1.00 0.00 O ATOM 887 CB ALA A 60 -5.012 8.810 -1.938 1.00 0.00 C ATOM 0 H ALA A 60 -6.879 8.054 -3.374 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.034 7.913 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.100 8.894 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.190 9.747 -2.466 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.854 8.600 -1.279 1.00 0.00 H new ATOM 893 N LYS A 61 -5.357 6.018 -1.252 1.00 0.00 N ATOM 894 CA LYS A 61 -5.156 4.790 -0.491 1.00 0.00 C ATOM 895 C LYS A 61 -4.682 3.659 -1.399 1.00 0.00 C ATOM 896 O LYS A 61 -3.974 2.754 -0.958 1.00 0.00 O ATOM 897 CB LYS A 61 -6.454 4.383 0.212 1.00 0.00 C ATOM 898 CG LYS A 61 -6.279 3.241 1.198 1.00 0.00 C ATOM 899 CD LYS A 61 -7.524 3.042 2.046 1.00 0.00 C ATOM 900 CE LYS A 61 -7.531 1.675 2.712 1.00 0.00 C ATOM 901 NZ LYS A 61 -8.405 1.649 3.917 1.00 0.00 N ATOM 0 H LYS A 61 -6.170 6.563 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.387 4.978 0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.859 5.247 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.189 4.094 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.056 2.322 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.426 3.445 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.575 3.820 2.808 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.411 3.149 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.874 0.925 1.999 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.514 1.404 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.382 0.700 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.063 2.346 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.381 1.883 3.643 1.00 0.00 H new ATOM 915 N GLN A 62 -5.075 3.720 -2.667 1.00 0.00 N ATOM 916 CA GLN A 62 -4.688 2.701 -3.635 1.00 0.00 C ATOM 917 C GLN A 62 -3.204 2.804 -3.971 1.00 0.00 C ATOM 918 O GLN A 62 -2.408 1.946 -3.588 1.00 0.00 O ATOM 919 CB GLN A 62 -5.523 2.836 -4.910 1.00 0.00 C ATOM 920 CG GLN A 62 -6.931 2.281 -4.777 1.00 0.00 C ATOM 921 CD GLN A 62 -7.646 2.177 -6.110 1.00 0.00 C ATOM 922 OE1 GLN A 62 -8.726 2.739 -6.294 1.00 0.00 O ATOM 923 NE2 GLN A 62 -7.046 1.454 -7.049 1.00 0.00 N ATOM 0 H GLN A 62 -5.660 4.463 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.873 1.724 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.581 3.889 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.014 2.320 -5.724 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.886 1.295 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.508 2.920 -4.109 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.151 1.005 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.480 1.347 -7.966 1.00 0.00 H new ATOM 932 N LEU A 63 -2.838 3.860 -4.690 1.00 0.00 N ATOM 933 CA LEU A 63 -1.448 4.077 -5.078 1.00 0.00 C ATOM 934 C LEU A 63 -0.512 3.856 -3.895 1.00 0.00 C ATOM 935 O LEU A 63 0.544 3.239 -4.033 1.00 0.00 O ATOM 936 CB LEU A 63 -1.267 5.492 -5.630 1.00 0.00 C ATOM 937 CG LEU A 63 -2.197 5.889 -6.777 1.00 0.00 C ATOM 938 CD1 LEU A 63 -2.462 7.387 -6.755 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.604 5.470 -8.114 1.00 0.00 C ATOM 0 H LEU A 63 -3.484 4.579 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.196 3.356 -5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.408 6.200 -4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.237 5.599 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.147 5.371 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.126 7.651 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.931 7.660 -5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.520 7.925 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.279 5.761 -8.919 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.640 5.960 -8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.467 4.389 -8.128 1.00 0.00 H new ATOM 951 N ALA A 64 -0.906 4.363 -2.732 1.00 0.00 N ATOM 952 CA ALA A 64 -0.104 4.218 -1.523 1.00 0.00 C ATOM 953 C ALA A 64 0.477 2.813 -1.416 1.00 0.00 C ATOM 954 O ALA A 64 1.595 2.628 -0.934 1.00 0.00 O ATOM 955 CB ALA A 64 -0.940 4.541 -0.293 1.00 0.00 C ATOM 0 H ALA A 64 -1.776 4.878 -2.601 1.00 0.00 H new ATOM 0 HA ALA A 64 0.726 4.923 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.329 4.429 0.602 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.302 5.567 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.789 3.859 -0.241 1.00 0.00 H new ATOM 961 N ALA A 65 -0.288 1.824 -1.868 1.00 0.00 N ATOM 962 CA ALA A 65 0.153 0.436 -1.823 1.00 0.00 C ATOM 963 C ALA A 65 1.223 0.165 -2.875 1.00 0.00 C ATOM 964 O ALA A 65 2.235 -0.479 -2.596 1.00 0.00 O ATOM 965 CB ALA A 65 -1.031 -0.500 -2.020 1.00 0.00 C ATOM 0 H ALA A 65 -1.216 1.959 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 65 0.590 0.251 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.687 -1.534 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.762 -0.333 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.492 -0.304 -2.988 1.00 0.00 H new ATOM 971 N LYS A 66 0.994 0.661 -4.087 1.00 0.00 N ATOM 972 CA LYS A 66 1.939 0.475 -5.182 1.00 0.00 C ATOM 973 C LYS A 66 3.372 0.686 -4.705 1.00 0.00 C ATOM 974 O LYS A 66 4.182 -0.240 -4.717 1.00 0.00 O ATOM 975 CB LYS A 66 1.622 1.440 -6.326 1.00 0.00 C ATOM 976 CG LYS A 66 2.285 1.064 -7.640 1.00 0.00 C ATOM 977 CD LYS A 66 1.485 1.564 -8.831 1.00 0.00 C ATOM 978 CE LYS A 66 1.979 0.950 -10.132 1.00 0.00 C ATOM 979 NZ LYS A 66 3.302 1.502 -10.538 1.00 0.00 N ATOM 0 H LYS A 66 0.161 1.195 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 66 1.843 -0.549 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.542 1.476 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.940 2.443 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.291 1.483 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.389 -0.019 -7.699 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.432 1.322 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.558 2.650 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.056 -0.131 -10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.250 1.136 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.604 1.059 -11.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.223 2.530 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.004 1.303 -9.797 1.00 0.00 H new ATOM 993 N GLU A 67 3.678 1.910 -4.287 1.00 0.00 N ATOM 994 CA GLU A 67 5.014 2.241 -3.806 1.00 0.00 C ATOM 995 C GLU A 67 5.391 1.375 -2.608 1.00 0.00 C ATOM 996 O GLU A 67 6.495 0.835 -2.542 1.00 0.00 O ATOM 997 CB GLU A 67 5.090 3.721 -3.424 1.00 0.00 C ATOM 998 CG GLU A 67 6.511 4.235 -3.259 1.00 0.00 C ATOM 999 CD GLU A 67 7.301 4.190 -4.553 1.00 0.00 C ATOM 1000 OE1 GLU A 67 7.228 5.168 -5.326 1.00 0.00 O ATOM 1001 OE2 GLU A 67 7.991 3.177 -4.792 1.00 0.00 O ATOM 0 H GLU A 67 3.019 2.688 -4.272 1.00 0.00 H new ATOM 0 HA GLU A 67 5.722 2.044 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.586 4.311 -4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.546 3.875 -2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.482 5.260 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.024 3.639 -2.504 1.00 0.00 H new ATOM 1008 N ALA A 68 4.466 1.248 -1.662 1.00 0.00 N ATOM 1009 CA ALA A 68 4.700 0.447 -0.468 1.00 0.00 C ATOM 1010 C ALA A 68 5.248 -0.930 -0.828 1.00 0.00 C ATOM 1011 O ALA A 68 6.199 -1.412 -0.212 1.00 0.00 O ATOM 1012 CB ALA A 68 3.416 0.312 0.337 1.00 0.00 C ATOM 0 H ALA A 68 3.548 1.690 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 68 5.446 0.958 0.141 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.606 -0.289 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.068 1.301 0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.654 -0.173 -0.273 1.00 0.00 H new ATOM 1018 N TYR A 69 4.642 -1.559 -1.829 1.00 0.00 N ATOM 1019 CA TYR A 69 5.068 -2.882 -2.270 1.00 0.00 C ATOM 1020 C TYR A 69 6.511 -2.854 -2.763 1.00 0.00 C ATOM 1021 O TYR A 69 7.373 -3.552 -2.230 1.00 0.00 O ATOM 1022 CB TYR A 69 4.148 -3.393 -3.380 1.00 0.00 C ATOM 1023 CG TYR A 69 4.321 -4.865 -3.680 1.00 0.00 C ATOM 1024 CD1 TYR A 69 3.836 -5.833 -2.810 1.00 0.00 C ATOM 1025 CD2 TYR A 69 4.970 -5.287 -4.834 1.00 0.00 C ATOM 1026 CE1 TYR A 69 3.993 -7.179 -3.080 1.00 0.00 C ATOM 1027 CE2 TYR A 69 5.130 -6.630 -5.112 1.00 0.00 C ATOM 1028 CZ TYR A 69 4.640 -7.573 -4.232 1.00 0.00 C ATOM 1029 OH TYR A 69 4.798 -8.912 -4.505 1.00 0.00 O ATOM 0 H TYR A 69 3.854 -1.174 -2.350 1.00 0.00 H new ATOM 0 HA TYR A 69 5.008 -3.558 -1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.112 -3.208 -3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.336 -2.821 -4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.328 -5.528 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.356 -4.552 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.611 -7.919 -2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.636 -6.941 -6.014 1.00 0.00 H new ATOM 0 HH TYR A 69 5.274 -9.019 -5.355 1.00 0.00 H new ATOM 1039 N GLN A 70 6.765 -2.042 -3.783 1.00 0.00 N ATOM 1040 CA GLN A 70 8.104 -1.922 -4.349 1.00 0.00 C ATOM 1041 C GLN A 70 9.157 -1.856 -3.247 1.00 0.00 C ATOM 1042 O GLN A 70 10.206 -2.494 -3.337 1.00 0.00 O ATOM 1043 CB GLN A 70 8.198 -0.678 -5.234 1.00 0.00 C ATOM 1044 CG GLN A 70 7.288 -0.728 -6.451 1.00 0.00 C ATOM 1045 CD GLN A 70 7.733 -1.759 -7.471 1.00 0.00 C ATOM 1046 OE1 GLN A 70 8.894 -1.782 -7.880 1.00 0.00 O ATOM 1047 NE2 GLN A 70 6.810 -2.618 -7.886 1.00 0.00 N ATOM 0 H GLN A 70 6.062 -1.457 -4.235 1.00 0.00 H new ATOM 0 HA GLN A 70 8.294 -2.807 -4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.948 0.201 -4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.229 -0.555 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.271 -0.955 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.262 0.255 -6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.860 -2.562 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.051 -3.334 -8.571 1.00 0.00 H new ATOM 1056 N LYS A 71 8.870 -1.081 -2.207 1.00 0.00 N ATOM 1057 CA LYS A 71 9.790 -0.932 -1.086 1.00 0.00 C ATOM 1058 C LYS A 71 10.073 -2.280 -0.431 1.00 0.00 C ATOM 1059 O LYS A 71 11.228 -2.680 -0.284 1.00 0.00 O ATOM 1060 CB LYS A 71 9.215 0.039 -0.052 1.00 0.00 C ATOM 1061 CG LYS A 71 9.427 1.501 -0.407 1.00 0.00 C ATOM 1062 CD LYS A 71 10.878 1.913 -0.226 1.00 0.00 C ATOM 1063 CE LYS A 71 11.076 3.395 -0.508 1.00 0.00 C ATOM 1064 NZ LYS A 71 12.493 3.811 -0.319 1.00 0.00 N ATOM 0 H LYS A 71 8.006 -0.546 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 71 10.728 -0.530 -1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.147 -0.149 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.673 -0.161 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.125 1.673 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.790 2.125 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.196 1.690 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.510 1.327 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.766 3.615 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.435 3.979 0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.586 4.827 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.781 3.625 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.102 3.272 -0.967 1.00 0.00 H new ATOM 1078 N LEU A 72 9.011 -2.976 -0.040 1.00 0.00 N ATOM 1079 CA LEU A 72 9.145 -4.281 0.599 1.00 0.00 C ATOM 1080 C LEU A 72 10.012 -5.213 -0.242 1.00 0.00 C ATOM 1081 O LEU A 72 10.825 -5.970 0.290 1.00 0.00 O ATOM 1082 CB LEU A 72 7.766 -4.908 0.817 1.00 0.00 C ATOM 1083 CG LEU A 72 7.081 -4.576 2.143 1.00 0.00 C ATOM 1084 CD1 LEU A 72 5.636 -5.049 2.130 1.00 0.00 C ATOM 1085 CD2 LEU A 72 7.838 -5.200 3.306 1.00 0.00 C ATOM 0 H LEU A 72 8.048 -2.659 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 72 9.629 -4.137 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.112 -4.592 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.865 -5.991 0.743 1.00 0.00 H new ATOM 0 HG LEU A 72 7.087 -3.494 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.164 -4.804 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.099 -4.554 1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.608 -6.128 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.336 -4.953 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.865 -6.283 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.856 -4.812 3.327 1.00 0.00 H new ATOM 1097 N LEU A 73 9.835 -5.150 -1.557 1.00 0.00 N ATOM 1098 CA LEU A 73 10.603 -5.986 -2.473 1.00 0.00 C ATOM 1099 C LEU A 73 12.098 -5.713 -2.337 1.00 0.00 C ATOM 1100 O LEU A 73 12.925 -6.595 -2.568 1.00 0.00 O ATOM 1101 CB LEU A 73 10.158 -5.740 -3.915 1.00 0.00 C ATOM 1102 CG LEU A 73 8.669 -5.939 -4.201 1.00 0.00 C ATOM 1103 CD1 LEU A 73 8.360 -5.640 -5.660 1.00 0.00 C ATOM 1104 CD2 LEU A 73 8.242 -7.355 -3.843 1.00 0.00 C ATOM 0 H LEU A 73 9.167 -4.529 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 73 10.418 -7.029 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.427 -4.720 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.725 -6.404 -4.567 1.00 0.00 H new ATOM 0 HG LEU A 73 8.104 -5.242 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.296 -5.787 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.628 -4.607 -5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.935 -6.311 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.180 -7.479 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.815 -8.068 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.426 -7.534 -2.784 1.00 0.00 H new ATOM 1116 N LYS A 74 12.437 -4.486 -1.957 1.00 0.00 N ATOM 1117 CA LYS A 74 13.831 -4.095 -1.786 1.00 0.00 C ATOM 1118 C LYS A 74 14.342 -4.494 -0.405 1.00 0.00 C ATOM 1119 O LYS A 74 15.389 -5.129 -0.279 1.00 0.00 O ATOM 1120 CB LYS A 74 13.988 -2.586 -1.984 1.00 0.00 C ATOM 1121 CG LYS A 74 13.566 -2.106 -3.361 1.00 0.00 C ATOM 1122 CD LYS A 74 14.660 -2.336 -4.391 1.00 0.00 C ATOM 1123 CE LYS A 74 15.668 -1.197 -4.397 1.00 0.00 C ATOM 1124 NZ LYS A 74 15.056 0.084 -4.845 1.00 0.00 N ATOM 0 H LYS A 74 11.765 -3.744 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 74 14.423 -4.616 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.397 -2.066 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 74 15.030 -2.313 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.660 -2.629 -3.668 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.322 -1.044 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.171 -3.275 -4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.214 -2.434 -5.381 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.080 -1.072 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.499 -1.452 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.796 0.709 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.353 -0.108 -5.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.590 0.547 -4.039 1.00 0.00 H new