USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 87 THR OG1 : rot -170:sc= 0.418 USER MOD Set 1.2: A 97 THR OG1 : rot -90:sc= 1.16 USER MOD Set 2.1: A 84 SER OG : rot -24:sc= -0.197! USER MOD Set 2.2: A 86 TYR OH : rot 111:sc= 0.844 USER MOD Set 3.1: A 71 SER OG : rot 134:sc= 0.0806 USER MOD Set 3.2: A 73 GLN : amide:sc= 0.436 K(o=0.52,f=-0.14) USER MOD Set 4.1: A 46 GLN : amide:sc= 0.729 K(o=2.7,f=0.72) USER MOD Set 4.2: A 67 THR OG1 : rot -118:sc= 1.92 USER MOD Set 4.3: A 68 SER OG : rot 180:sc= 0.0216 USER MOD Set 5.1: A 49 GLN : amide:sc= 0.338 K(o=2.1,f=-6.6!) USER MOD Set 5.2: A 52 GLN : amide:sc= 0.772 K(o=2.1,f=-6.6) USER MOD Set 5.3: A 101 THR OG1 : rot -158:sc= 0.996 USER MOD Set 6.1: A 34 LYS NZ :NH3+ -155:sc= 0.64 (180deg=-1.81!) USER MOD Set 6.2: A 81 THR OG1 : rot -23:sc= 0.106 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 101:sc= 1.28 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 11:sc= 0.972 USER MOD Single : A 25 LYS NZ :NH3+ 136:sc= 2.16 (180deg=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.2 (180deg=0.834) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= -0.0624 (180deg=-0.384) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 1.31 (180deg=0.995) USER MOD Single : A 41 GLN : amide:sc= -0.889 K(o=-0.89,f=-5.7!) USER MOD Single : A 43 ASN : amide:sc= 0.931 K(o=0.93,f=-0.37) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.0269 (180deg=-0.23) USER MOD Single : A 65 THR OG1 : rot -90:sc= -1.92 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -119:sc= 0.825 USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N TYR A 6 2.707 -1.153 2.073 1.00 0.00 N ATOM 65 CA TYR A 6 3.256 -1.699 0.867 1.00 0.00 C ATOM 66 C TYR A 6 4.420 -2.567 1.228 1.00 0.00 C ATOM 67 O TYR A 6 5.235 -2.206 2.085 1.00 0.00 O ATOM 68 CB TYR A 6 3.690 -0.600 -0.163 1.00 0.00 C ATOM 69 CG TYR A 6 4.852 0.276 0.253 1.00 0.00 C ATOM 70 CD1 TYR A 6 4.704 1.260 1.217 1.00 0.00 C ATOM 71 CD2 TYR A 6 6.100 0.110 -0.324 1.00 0.00 C ATOM 72 CE1 TYR A 6 5.763 2.047 1.592 1.00 0.00 C ATOM 73 CE2 TYR A 6 7.164 0.890 0.046 1.00 0.00 C ATOM 74 CZ TYR A 6 6.991 1.860 1.005 1.00 0.00 C ATOM 75 OH TYR A 6 8.055 2.641 1.386 1.00 0.00 O ATOM 0 HA TYR A 6 2.477 -2.281 0.374 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.948 -1.091 -1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.831 0.041 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.740 1.410 1.680 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.237 -0.649 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.632 2.810 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.131 0.744 -0.412 1.00 0.00 H new ATOM 0 HH TYR A 6 8.851 2.381 0.876 1.00 0.00 H new ATOM 85 N LEU A 7 4.442 -3.726 0.684 1.00 0.00 N ATOM 86 CA LEU A 7 5.573 -4.598 0.828 1.00 0.00 C ATOM 87 C LEU A 7 6.493 -4.388 -0.359 1.00 0.00 C ATOM 88 O LEU A 7 6.388 -3.363 -1.052 1.00 0.00 O ATOM 89 CB LEU A 7 5.139 -6.055 0.975 1.00 0.00 C ATOM 90 CG LEU A 7 4.258 -6.359 2.187 1.00 0.00 C ATOM 91 CD1 LEU A 7 3.914 -7.823 2.223 1.00 0.00 C ATOM 92 CD2 LEU A 7 4.936 -5.928 3.486 1.00 0.00 C ATOM 0 H LEU A 7 3.681 -4.109 0.123 1.00 0.00 H new ATOM 0 HA LEU A 7 6.114 -4.356 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.601 -6.349 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.032 -6.678 1.031 1.00 0.00 H new ATOM 0 HG LEU A 7 3.336 -5.786 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.286 -8.028 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.376 -8.093 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.830 -8.410 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.285 -6.157 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.879 -6.463 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.129 -4.856 3.457 1.00 0.00 H new ATOM 104 N THR A 8 7.368 -5.309 -0.619 1.00 0.00 N ATOM 105 CA THR A 8 8.381 -5.085 -1.599 1.00 0.00 C ATOM 106 C THR A 8 8.512 -6.227 -2.587 1.00 0.00 C ATOM 107 O THR A 8 8.017 -7.351 -2.353 1.00 0.00 O ATOM 108 CB THR A 8 9.741 -4.801 -0.913 1.00 0.00 C ATOM 109 OG1 THR A 8 10.075 -5.886 -0.015 1.00 0.00 O ATOM 110 CG2 THR A 8 9.660 -3.498 -0.129 1.00 0.00 C ATOM 0 H THR A 8 7.400 -6.222 -0.166 1.00 0.00 H new ATOM 0 HA THR A 8 8.075 -4.211 -2.173 1.00 0.00 H new ATOM 0 HB THR A 8 10.514 -4.716 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.936 -5.702 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.619 -3.302 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.421 -2.679 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.883 -3.578 0.631 1.00 0.00 H new ATOM 118 N VAL A 9 9.153 -5.915 -3.688 1.00 0.00 N ATOM 119 CA VAL A 9 9.449 -6.837 -4.755 1.00 0.00 C ATOM 120 C VAL A 9 10.412 -7.919 -4.257 1.00 0.00 C ATOM 121 O VAL A 9 11.298 -7.643 -3.449 1.00 0.00 O ATOM 122 CB VAL A 9 10.092 -6.053 -5.939 1.00 0.00 C ATOM 123 CG1 VAL A 9 10.526 -6.966 -7.068 1.00 0.00 C ATOM 124 CG2 VAL A 9 9.127 -4.998 -6.455 1.00 0.00 C ATOM 0 H VAL A 9 9.496 -4.972 -3.871 1.00 0.00 H new ATOM 0 HA VAL A 9 8.530 -7.317 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 9 10.990 -5.568 -5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.967 -6.371 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.263 -7.679 -6.697 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.661 -7.506 -7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.587 -4.457 -7.282 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.212 -5.480 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.888 -4.300 -5.653 1.00 0.00 H new ATOM 134 N GLY A 10 10.213 -9.133 -4.708 1.00 0.00 N ATOM 135 CA GLY A 10 11.087 -10.212 -4.341 1.00 0.00 C ATOM 136 C GLY A 10 10.419 -11.233 -3.462 1.00 0.00 C ATOM 137 O GLY A 10 10.725 -12.421 -3.565 1.00 0.00 O ATOM 0 H GLY A 10 9.450 -9.396 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.452 -10.701 -5.244 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.957 -9.808 -3.824 1.00 0.00 H new ATOM 141 N THR A 11 9.499 -10.770 -2.626 1.00 0.00 N ATOM 142 CA THR A 11 8.771 -11.595 -1.687 1.00 0.00 C ATOM 143 C THR A 11 8.034 -12.732 -2.423 1.00 0.00 C ATOM 144 O THR A 11 7.462 -12.519 -3.510 1.00 0.00 O ATOM 145 CB THR A 11 7.755 -10.706 -0.971 1.00 0.00 C ATOM 146 OG1 THR A 11 8.391 -9.445 -0.653 1.00 0.00 O ATOM 147 CG2 THR A 11 7.277 -11.345 0.316 1.00 0.00 C ATOM 0 H THR A 11 9.236 -9.785 -2.586 1.00 0.00 H new ATOM 0 HA THR A 11 9.463 -12.044 -0.975 1.00 0.00 H new ATOM 0 HB THR A 11 6.896 -10.561 -1.626 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.123 -8.769 -1.310 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.555 -10.688 0.802 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.805 -12.302 0.094 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.126 -11.505 0.980 1.00 0.00 H new ATOM 155 N ASP A 12 8.059 -13.906 -1.845 1.00 0.00 N ATOM 156 CA ASP A 12 7.470 -15.084 -2.457 1.00 0.00 C ATOM 157 C ASP A 12 6.260 -15.485 -1.648 1.00 0.00 C ATOM 158 O ASP A 12 6.384 -15.866 -0.483 1.00 0.00 O ATOM 159 CB ASP A 12 8.471 -16.251 -2.486 1.00 0.00 C ATOM 160 CG ASP A 12 9.797 -15.918 -3.148 1.00 0.00 C ATOM 161 OD1 ASP A 12 9.938 -16.060 -4.390 1.00 0.00 O ATOM 162 OD2 ASP A 12 10.752 -15.557 -2.430 1.00 0.00 O ATOM 0 H ASP A 12 8.487 -14.079 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 12 7.191 -14.850 -3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.660 -16.578 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.017 -17.092 -3.011 1.00 0.00 H new ATOM 167 N VAL A 13 5.107 -15.374 -2.236 1.00 0.00 N ATOM 168 CA VAL A 13 3.842 -15.645 -1.565 1.00 0.00 C ATOM 169 C VAL A 13 2.959 -16.463 -2.461 1.00 0.00 C ATOM 170 O VAL A 13 3.361 -16.844 -3.538 1.00 0.00 O ATOM 171 CB VAL A 13 3.111 -14.336 -1.154 1.00 0.00 C ATOM 172 CG1 VAL A 13 3.934 -13.563 -0.156 1.00 0.00 C ATOM 173 CG2 VAL A 13 2.797 -13.462 -2.355 1.00 0.00 C ATOM 0 H VAL A 13 5.002 -15.089 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 13 4.061 -16.200 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 13 2.165 -14.624 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.407 -12.650 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.095 -14.173 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.896 -13.307 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.286 -12.558 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.724 -13.191 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.155 -14.009 -3.045 1.00 0.00 H new ATOM 183 N SER A 14 1.793 -16.773 -2.017 1.00 0.00 N ATOM 184 CA SER A 14 0.886 -17.523 -2.838 1.00 0.00 C ATOM 185 C SER A 14 -0.203 -16.598 -3.368 1.00 0.00 C ATOM 186 O SER A 14 -0.626 -15.675 -2.673 1.00 0.00 O ATOM 187 CB SER A 14 0.299 -18.670 -2.036 1.00 0.00 C ATOM 188 OG SER A 14 1.343 -19.426 -1.442 1.00 0.00 O ATOM 0 H SER A 14 1.437 -16.524 -1.094 1.00 0.00 H new ATOM 0 HA SER A 14 1.417 -17.946 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.366 -18.283 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.302 -19.309 -2.684 1.00 0.00 H new ATOM 0 HG SER A 14 0.959 -20.164 -0.924 1.00 0.00 H new ATOM 194 N ALA A 15 -0.612 -16.816 -4.584 1.00 0.00 N ATOM 195 CA ALA A 15 -1.639 -16.030 -5.217 1.00 0.00 C ATOM 196 C ALA A 15 -2.728 -16.956 -5.670 1.00 0.00 C ATOM 197 O ALA A 15 -2.482 -17.883 -6.455 1.00 0.00 O ATOM 198 CB ALA A 15 -1.039 -15.337 -6.421 1.00 0.00 C ATOM 0 H ALA A 15 -0.237 -17.557 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.042 -15.289 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.804 -14.736 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.222 -14.691 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.659 -16.083 -7.119 1.00 0.00 H new ATOM 204 N LYS A 16 -3.902 -16.749 -5.150 1.00 0.00 N ATOM 205 CA LYS A 16 -5.054 -17.492 -5.543 1.00 0.00 C ATOM 206 C LYS A 16 -5.683 -16.778 -6.715 1.00 0.00 C ATOM 207 O LYS A 16 -6.243 -15.688 -6.572 1.00 0.00 O ATOM 208 CB LYS A 16 -5.994 -17.643 -4.322 1.00 0.00 C ATOM 209 CG LYS A 16 -7.275 -18.467 -4.490 1.00 0.00 C ATOM 210 CD LYS A 16 -8.391 -17.663 -5.120 1.00 0.00 C ATOM 211 CE LYS A 16 -9.717 -18.382 -5.026 1.00 0.00 C ATOM 212 NZ LYS A 16 -10.818 -17.577 -5.606 1.00 0.00 N ATOM 0 H LYS A 16 -4.085 -16.049 -4.431 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.810 -18.504 -5.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.417 -18.087 -3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.282 -16.643 -3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.065 -19.341 -5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.599 -18.835 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.466 -16.694 -4.626 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.155 -17.470 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.651 -19.337 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.938 -18.603 -3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.712 -18.102 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.897 -16.676 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.619 -17.388 -6.609 1.00 0.00 H new ATOM 226 N TYR A 17 -5.534 -17.359 -7.863 1.00 0.00 N ATOM 227 CA TYR A 17 -6.006 -16.785 -9.074 1.00 0.00 C ATOM 228 C TYR A 17 -6.826 -17.837 -9.796 1.00 0.00 C ATOM 229 O TYR A 17 -6.492 -19.017 -9.747 1.00 0.00 O ATOM 230 CB TYR A 17 -4.809 -16.316 -9.944 1.00 0.00 C ATOM 231 CG TYR A 17 -4.059 -17.415 -10.687 1.00 0.00 C ATOM 232 CD1 TYR A 17 -3.108 -18.211 -10.056 1.00 0.00 C ATOM 233 CD2 TYR A 17 -4.315 -17.647 -12.032 1.00 0.00 C ATOM 234 CE1 TYR A 17 -2.439 -19.203 -10.754 1.00 0.00 C ATOM 235 CE2 TYR A 17 -3.655 -18.627 -12.725 1.00 0.00 C ATOM 236 CZ TYR A 17 -2.721 -19.404 -12.088 1.00 0.00 C ATOM 237 OH TYR A 17 -2.059 -20.380 -12.799 1.00 0.00 O ATOM 0 H TYR A 17 -5.073 -18.261 -7.983 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.624 -15.911 -8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.176 -15.595 -10.674 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.102 -15.789 -9.303 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.889 -18.054 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.050 -17.042 -12.542 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.701 -19.815 -10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.870 -18.788 -13.771 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.381 -20.386 -13.725 1.00 0.00 H new ATOM 247 N ARG A 18 -7.931 -17.421 -10.381 1.00 0.00 N ATOM 248 CA ARG A 18 -8.827 -18.298 -11.163 1.00 0.00 C ATOM 249 C ARG A 18 -9.362 -19.456 -10.276 1.00 0.00 C ATOM 250 O ARG A 18 -9.795 -20.498 -10.758 1.00 0.00 O ATOM 251 CB ARG A 18 -8.046 -18.848 -12.378 1.00 0.00 C ATOM 252 CG ARG A 18 -8.873 -19.533 -13.454 1.00 0.00 C ATOM 253 CD ARG A 18 -7.961 -20.103 -14.516 1.00 0.00 C ATOM 254 NE ARG A 18 -8.682 -20.623 -15.678 1.00 0.00 N ATOM 255 CZ ARG A 18 -8.099 -21.271 -16.697 1.00 0.00 C ATOM 256 NH1 ARG A 18 -6.809 -21.611 -16.620 1.00 0.00 N ATOM 257 NH2 ARG A 18 -8.807 -21.598 -17.778 1.00 0.00 N ATOM 0 H ARG A 18 -8.250 -16.453 -10.335 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.687 -17.729 -11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.502 -18.023 -12.838 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.302 -19.557 -12.015 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.474 -20.328 -13.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.566 -18.821 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.268 -19.329 -14.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.363 -20.903 -14.080 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.692 -20.484 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.269 -21.378 -15.787 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.364 -22.104 -17.394 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.796 -21.355 -17.832 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.360 -22.091 -18.551 1.00 0.00 H new ATOM 271 N GLY A 19 -9.396 -19.219 -8.979 1.00 0.00 N ATOM 272 CA GLY A 19 -9.897 -20.221 -8.069 1.00 0.00 C ATOM 273 C GLY A 19 -8.826 -21.169 -7.523 1.00 0.00 C ATOM 274 O GLY A 19 -9.147 -22.081 -6.770 1.00 0.00 O ATOM 0 H GLY A 19 -9.086 -18.352 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.385 -19.723 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.660 -20.809 -8.579 1.00 0.00 H new ATOM 278 N ALA A 20 -7.576 -20.968 -7.894 1.00 0.00 N ATOM 279 CA ALA A 20 -6.505 -21.857 -7.465 1.00 0.00 C ATOM 280 C ALA A 20 -5.292 -21.048 -7.071 1.00 0.00 C ATOM 281 O ALA A 20 -5.033 -20.007 -7.649 1.00 0.00 O ATOM 282 CB ALA A 20 -6.153 -22.841 -8.578 1.00 0.00 C ATOM 0 H ALA A 20 -7.274 -20.198 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.844 -22.426 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.351 -23.499 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.031 -23.437 -8.828 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.826 -22.291 -9.460 1.00 0.00 H new ATOM 288 N PHE A 21 -4.557 -21.487 -6.096 1.00 0.00 N ATOM 289 CA PHE A 21 -3.383 -20.750 -5.704 1.00 0.00 C ATOM 290 C PHE A 21 -2.103 -21.398 -6.129 1.00 0.00 C ATOM 291 O PHE A 21 -1.907 -22.615 -5.998 1.00 0.00 O ATOM 292 CB PHE A 21 -3.365 -20.329 -4.222 1.00 0.00 C ATOM 293 CG PHE A 21 -3.681 -21.410 -3.256 1.00 0.00 C ATOM 294 CD1 PHE A 21 -2.702 -22.270 -2.800 1.00 0.00 C ATOM 295 CD2 PHE A 21 -4.967 -21.561 -2.809 1.00 0.00 C ATOM 296 CE1 PHE A 21 -3.013 -23.272 -1.908 1.00 0.00 C ATOM 297 CE2 PHE A 21 -5.292 -22.554 -1.925 1.00 0.00 C ATOM 298 CZ PHE A 21 -4.314 -23.417 -1.467 1.00 0.00 C ATOM 0 H PHE A 21 -4.739 -22.336 -5.562 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.455 -19.819 -6.266 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.379 -19.929 -3.986 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.080 -19.518 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.685 -22.156 -3.145 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.735 -20.887 -3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.243 -23.942 -1.555 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.311 -22.663 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.566 -24.201 -0.768 1.00 0.00 H new ATOM 308 N CYS A 22 -1.265 -20.587 -6.663 1.00 0.00 N ATOM 309 CA CYS A 22 0.040 -20.967 -7.090 1.00 0.00 C ATOM 310 C CYS A 22 1.003 -20.071 -6.347 1.00 0.00 C ATOM 311 O CYS A 22 0.587 -19.004 -5.845 1.00 0.00 O ATOM 312 CB CYS A 22 0.147 -20.742 -8.614 1.00 0.00 C ATOM 313 SG CYS A 22 1.717 -21.235 -9.391 1.00 0.00 S ATOM 0 H CYS A 22 -1.473 -19.601 -6.823 1.00 0.00 H new ATOM 0 HA CYS A 22 0.258 -22.015 -6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.662 -21.289 -9.099 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.018 -19.684 -8.816 1.00 0.00 H new ATOM 0 HG CYS A 22 2.426 -21.918 -8.542 1.00 0.00 H new ATOM 319 N GLU A 23 2.242 -20.480 -6.217 1.00 0.00 N ATOM 320 CA GLU A 23 3.217 -19.625 -5.626 1.00 0.00 C ATOM 321 C GLU A 23 3.533 -18.540 -6.624 1.00 0.00 C ATOM 322 O GLU A 23 3.485 -18.764 -7.857 1.00 0.00 O ATOM 323 CB GLU A 23 4.503 -20.346 -5.193 1.00 0.00 C ATOM 324 CG GLU A 23 5.278 -20.998 -6.316 1.00 0.00 C ATOM 325 CD GLU A 23 4.713 -22.345 -6.734 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.685 -22.405 -7.467 1.00 0.00 O ATOM 327 OE2 GLU A 23 5.283 -23.377 -6.335 1.00 0.00 O ATOM 0 H GLU A 23 2.587 -21.393 -6.513 1.00 0.00 H new ATOM 0 HA GLU A 23 2.797 -19.220 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.153 -19.629 -4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.244 -21.109 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.285 -20.331 -7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.315 -21.127 -6.005 1.00 0.00 H new ATOM 334 N ALA A 24 3.826 -17.411 -6.130 1.00 0.00 N ATOM 335 CA ALA A 24 4.024 -16.274 -6.932 1.00 0.00 C ATOM 336 C ALA A 24 5.009 -15.342 -6.291 1.00 0.00 C ATOM 337 O ALA A 24 5.032 -15.169 -5.071 1.00 0.00 O ATOM 338 CB ALA A 24 2.708 -15.587 -7.173 1.00 0.00 C ATOM 0 H ALA A 24 3.939 -17.242 -5.130 1.00 0.00 H new ATOM 0 HA ALA A 24 4.436 -16.583 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.866 -14.706 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.028 -16.272 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.275 -15.285 -6.219 1.00 0.00 H new ATOM 344 N LYS A 25 5.808 -14.753 -7.091 1.00 0.00 N ATOM 345 CA LYS A 25 6.833 -13.896 -6.611 1.00 0.00 C ATOM 346 C LYS A 25 6.510 -12.462 -6.968 1.00 0.00 C ATOM 347 O LYS A 25 6.164 -12.178 -8.105 1.00 0.00 O ATOM 348 CB LYS A 25 8.126 -14.308 -7.253 1.00 0.00 C ATOM 349 CG LYS A 25 9.334 -13.634 -6.684 1.00 0.00 C ATOM 350 CD LYS A 25 10.558 -14.060 -7.432 1.00 0.00 C ATOM 351 CE LYS A 25 11.810 -13.674 -6.685 1.00 0.00 C ATOM 352 NZ LYS A 25 11.839 -14.268 -5.316 1.00 0.00 N ATOM 0 H LYS A 25 5.775 -14.848 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 25 6.913 -13.972 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.243 -15.387 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.073 -14.094 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.219 -12.552 -6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.437 -13.885 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.539 -15.139 -7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.563 -13.600 -8.420 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.685 -14.005 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.871 -12.588 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.786 -14.651 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.614 -13.534 -4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.137 -15.033 -5.255 1.00 0.00 H new ATOM 366 N ILE A 26 6.599 -11.573 -6.004 1.00 0.00 N ATOM 367 CA ILE A 26 6.326 -10.162 -6.241 1.00 0.00 C ATOM 368 C ILE A 26 7.379 -9.577 -7.172 1.00 0.00 C ATOM 369 O ILE A 26 8.564 -9.550 -6.843 1.00 0.00 O ATOM 370 CB ILE A 26 6.293 -9.327 -4.930 1.00 0.00 C ATOM 371 CG1 ILE A 26 5.302 -9.936 -3.920 1.00 0.00 C ATOM 372 CG2 ILE A 26 5.915 -7.876 -5.243 1.00 0.00 C ATOM 373 CD1 ILE A 26 5.156 -9.147 -2.632 1.00 0.00 C ATOM 0 H ILE A 26 6.859 -11.797 -5.043 1.00 0.00 H new ATOM 0 HA ILE A 26 5.337 -10.107 -6.696 1.00 0.00 H new ATOM 0 HB ILE A 26 7.286 -9.344 -4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.324 -10.019 -4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.625 -10.948 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.894 -7.298 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.651 -7.447 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.930 -7.849 -5.710 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.440 -9.646 -1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.122 -9.086 -2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.801 -8.142 -2.859 1.00 0.00 H new ATOM 385 N LYS A 27 6.943 -9.164 -8.325 1.00 0.00 N ATOM 386 CA LYS A 27 7.785 -8.546 -9.314 1.00 0.00 C ATOM 387 C LYS A 27 7.599 -7.031 -9.290 1.00 0.00 C ATOM 388 O LYS A 27 8.534 -6.278 -9.495 1.00 0.00 O ATOM 389 CB LYS A 27 7.438 -9.085 -10.700 1.00 0.00 C ATOM 390 CG LYS A 27 8.167 -8.389 -11.827 1.00 0.00 C ATOM 391 CD LYS A 27 7.717 -8.898 -13.173 1.00 0.00 C ATOM 392 CE LYS A 27 8.350 -8.097 -14.290 1.00 0.00 C ATOM 393 NZ LYS A 27 7.879 -8.542 -15.611 1.00 0.00 N ATOM 0 H LYS A 27 5.968 -9.248 -8.614 1.00 0.00 H new ATOM 0 HA LYS A 27 8.825 -8.780 -9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.669 -10.150 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.364 -8.987 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.993 -7.315 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.240 -8.544 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.984 -9.950 -13.277 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.631 -8.836 -13.246 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.118 -7.040 -14.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.434 -8.194 -14.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.431 -8.068 -16.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.000 -9.572 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.873 -8.302 -15.720 1.00 0.00 H new ATOM 407 N THR A 28 6.395 -6.596 -9.052 1.00 0.00 N ATOM 408 CA THR A 28 6.107 -5.185 -9.019 1.00 0.00 C ATOM 409 C THR A 28 5.134 -4.887 -7.889 1.00 0.00 C ATOM 410 O THR A 28 4.264 -5.705 -7.575 1.00 0.00 O ATOM 411 CB THR A 28 5.463 -4.734 -10.352 1.00 0.00 C ATOM 412 OG1 THR A 28 6.265 -5.179 -11.463 1.00 0.00 O ATOM 413 CG2 THR A 28 5.313 -3.213 -10.426 1.00 0.00 C ATOM 0 H THR A 28 5.591 -7.199 -8.877 1.00 0.00 H new ATOM 0 HA THR A 28 7.042 -4.647 -8.865 1.00 0.00 H new ATOM 0 HB THR A 28 4.470 -5.181 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.850 -4.891 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.857 -2.938 -11.377 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.680 -2.870 -9.608 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.295 -2.746 -10.346 1.00 0.00 H new ATOM 421 N VAL A 29 5.308 -3.755 -7.280 1.00 0.00 N ATOM 422 CA VAL A 29 4.404 -3.258 -6.285 1.00 0.00 C ATOM 423 C VAL A 29 3.819 -1.991 -6.826 1.00 0.00 C ATOM 424 O VAL A 29 4.541 -1.053 -7.146 1.00 0.00 O ATOM 425 CB VAL A 29 5.089 -2.973 -4.916 1.00 0.00 C ATOM 426 CG1 VAL A 29 4.097 -2.331 -3.936 1.00 0.00 C ATOM 427 CG2 VAL A 29 5.626 -4.262 -4.329 1.00 0.00 C ATOM 0 H VAL A 29 6.098 -3.137 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 29 3.648 -4.018 -6.089 1.00 0.00 H new ATOM 0 HB VAL A 29 5.913 -2.279 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.596 -2.140 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.733 -1.391 -4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.256 -3.006 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.104 -4.055 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.805 -4.964 -4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.356 -4.697 -5.012 1.00 0.00 H new ATOM 437 N LYS A 30 2.549 -1.973 -6.960 1.00 0.00 N ATOM 438 CA LYS A 30 1.868 -0.818 -7.492 1.00 0.00 C ATOM 439 C LYS A 30 1.034 -0.267 -6.367 1.00 0.00 C ATOM 440 O LYS A 30 0.485 -1.025 -5.598 1.00 0.00 O ATOM 441 CB LYS A 30 1.035 -1.224 -8.743 1.00 0.00 C ATOM 442 CG LYS A 30 0.507 -0.081 -9.627 1.00 0.00 C ATOM 443 CD LYS A 30 -0.669 0.667 -9.025 1.00 0.00 C ATOM 444 CE LYS A 30 -1.180 1.743 -9.970 1.00 0.00 C ATOM 445 NZ LYS A 30 -1.634 1.180 -11.264 1.00 0.00 N ATOM 0 H LYS A 30 1.936 -2.749 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 30 2.554 -0.045 -7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.650 -1.876 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.183 -1.814 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.317 0.624 -9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.210 -0.489 -10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.473 -0.034 -8.800 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.369 1.121 -8.081 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.005 2.277 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.390 2.472 -10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.214 1.884 -11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.807 0.936 -11.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.200 0.325 -11.091 1.00 0.00 H new ATOM 459 N ARG A 31 0.961 1.019 -6.241 1.00 0.00 N ATOM 460 CA ARG A 31 0.282 1.596 -5.103 1.00 0.00 C ATOM 461 C ARG A 31 -1.253 1.486 -5.238 1.00 0.00 C ATOM 462 O ARG A 31 -1.863 2.006 -6.183 1.00 0.00 O ATOM 463 CB ARG A 31 0.709 3.042 -4.897 1.00 0.00 C ATOM 464 CG ARG A 31 2.223 3.241 -4.858 1.00 0.00 C ATOM 465 CD ARG A 31 2.896 2.537 -3.678 1.00 0.00 C ATOM 466 NE ARG A 31 4.351 2.743 -3.708 1.00 0.00 N ATOM 467 CZ ARG A 31 5.087 3.200 -2.694 1.00 0.00 C ATOM 468 NH1 ARG A 31 4.526 3.494 -1.531 1.00 0.00 N ATOM 469 NH2 ARG A 31 6.393 3.370 -2.854 1.00 0.00 N ATOM 0 H ARG A 31 1.355 1.692 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 31 0.572 1.024 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.293 3.651 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.280 3.408 -3.964 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.655 2.871 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.441 4.308 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.489 2.918 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.674 1.470 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 31 4.838 2.518 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.521 3.372 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.099 3.843 -0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.830 3.151 -3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.960 3.719 -2.082 1.00 0.00 H new ATOM 483 N LEU A 32 -1.821 0.783 -4.307 1.00 0.00 N ATOM 484 CA LEU A 32 -3.233 0.540 -4.142 1.00 0.00 C ATOM 485 C LEU A 32 -3.771 1.622 -3.235 1.00 0.00 C ATOM 486 O LEU A 32 -2.994 2.361 -2.648 1.00 0.00 O ATOM 487 CB LEU A 32 -3.393 -0.824 -3.493 1.00 0.00 C ATOM 488 CG LEU A 32 -4.780 -1.316 -3.156 1.00 0.00 C ATOM 489 CD1 LEU A 32 -5.580 -1.558 -4.402 1.00 0.00 C ATOM 490 CD2 LEU A 32 -4.661 -2.564 -2.337 1.00 0.00 C ATOM 0 H LEU A 32 -1.270 0.325 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.770 0.554 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.935 -1.559 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.812 -0.820 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.308 -0.556 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.575 -1.912 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.666 -0.629 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.081 -2.309 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.656 -2.931 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.127 -3.324 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.113 -2.347 -1.420 1.00 0.00 H new ATOM 502 N VAL A 33 -5.044 1.809 -3.172 1.00 0.00 N ATOM 503 CA VAL A 33 -5.533 2.833 -2.302 1.00 0.00 C ATOM 504 C VAL A 33 -6.205 2.226 -1.072 1.00 0.00 C ATOM 505 O VAL A 33 -7.071 1.366 -1.198 1.00 0.00 O ATOM 506 CB VAL A 33 -6.487 3.800 -3.033 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.918 4.914 -2.106 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.799 4.378 -4.256 1.00 0.00 C ATOM 0 H VAL A 33 -5.750 1.288 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.674 3.416 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.372 3.248 -3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.591 5.588 -2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.433 4.491 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.041 5.467 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.478 5.060 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.905 4.920 -3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.519 3.570 -4.932 1.00 0.00 H new ATOM 518 N LYS A 34 -5.738 2.613 0.105 1.00 0.00 N ATOM 519 CA LYS A 34 -6.383 2.231 1.335 1.00 0.00 C ATOM 520 C LYS A 34 -7.316 3.328 1.733 1.00 0.00 C ATOM 521 O LYS A 34 -6.922 4.398 2.186 1.00 0.00 O ATOM 522 CB LYS A 34 -5.414 1.868 2.464 1.00 0.00 C ATOM 523 CG LYS A 34 -6.112 1.505 3.786 1.00 0.00 C ATOM 524 CD LYS A 34 -5.178 0.926 4.870 1.00 0.00 C ATOM 525 CE LYS A 34 -4.243 1.942 5.555 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.206 2.499 4.664 1.00 0.00 N ATOM 0 H LYS A 34 -4.909 3.195 0.226 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.935 1.309 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.798 1.027 2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.741 2.708 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.597 2.397 4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.899 0.780 3.579 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.791 0.450 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.567 0.144 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.842 2.760 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.758 1.459 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.393 2.814 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.896 1.768 3.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.597 3.308 4.140 1.00 0.00 H new ATOM 540 N VAL A 35 -8.508 3.050 1.511 1.00 0.00 N ATOM 541 CA VAL A 35 -9.605 3.934 1.681 1.00 0.00 C ATOM 542 C VAL A 35 -10.108 3.856 3.117 1.00 0.00 C ATOM 543 O VAL A 35 -10.337 2.776 3.647 1.00 0.00 O ATOM 544 CB VAL A 35 -10.749 3.516 0.725 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.838 4.558 0.681 1.00 0.00 C ATOM 546 CG2 VAL A 35 -10.218 3.217 -0.671 1.00 0.00 C ATOM 0 H VAL A 35 -8.795 2.130 1.177 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.286 4.952 1.460 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.187 2.599 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.625 4.233 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.254 4.692 1.680 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.423 5.503 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.044 2.926 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.735 4.107 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.494 2.404 -0.619 1.00 0.00 H new ATOM 556 N LYS A 36 -10.235 4.980 3.736 1.00 0.00 N ATOM 557 CA LYS A 36 -10.778 5.065 5.055 1.00 0.00 C ATOM 558 C LYS A 36 -12.203 5.458 4.898 1.00 0.00 C ATOM 559 O LYS A 36 -12.495 6.558 4.440 1.00 0.00 O ATOM 560 CB LYS A 36 -10.032 6.115 5.861 1.00 0.00 C ATOM 561 CG LYS A 36 -10.410 6.189 7.337 1.00 0.00 C ATOM 562 CD LYS A 36 -9.490 7.150 8.072 1.00 0.00 C ATOM 563 CE LYS A 36 -9.804 7.222 9.552 1.00 0.00 C ATOM 564 NZ LYS A 36 -8.830 8.064 10.284 1.00 0.00 N ATOM 0 H LYS A 36 -9.962 5.879 3.338 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.685 4.116 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.963 5.916 5.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.208 7.091 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.445 6.517 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.345 5.198 7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.455 6.835 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.581 8.144 7.634 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.808 7.624 9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.802 6.216 9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.080 8.087 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.875 7.667 10.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.849 9.030 9.900 1.00 0.00 H new ATOM 578 N VAL A 37 -13.075 4.578 5.219 1.00 0.00 N ATOM 579 CA VAL A 37 -14.477 4.806 5.032 1.00 0.00 C ATOM 580 C VAL A 37 -15.207 4.838 6.327 1.00 0.00 C ATOM 581 O VAL A 37 -14.785 4.253 7.307 1.00 0.00 O ATOM 582 CB VAL A 37 -15.132 3.735 4.139 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.664 3.875 2.712 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.832 2.340 4.685 1.00 0.00 C ATOM 0 H VAL A 37 -12.846 3.670 5.622 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.550 5.776 4.541 1.00 0.00 H new ATOM 0 HB VAL A 37 -16.212 3.880 4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.138 3.110 2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.934 4.862 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.581 3.755 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.300 1.591 4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.754 2.180 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.228 2.252 5.697 1.00 0.00 H new ATOM 594 N LEU A 38 -16.281 5.520 6.309 1.00 0.00 N ATOM 595 CA LEU A 38 -17.188 5.576 7.399 1.00 0.00 C ATOM 596 C LEU A 38 -18.466 4.980 6.882 1.00 0.00 C ATOM 597 O LEU A 38 -19.065 5.495 5.926 1.00 0.00 O ATOM 598 CB LEU A 38 -17.350 7.047 7.883 1.00 0.00 C ATOM 599 CG LEU A 38 -18.241 7.359 9.134 1.00 0.00 C ATOM 600 CD1 LEU A 38 -19.738 7.094 8.917 1.00 0.00 C ATOM 601 CD2 LEU A 38 -17.748 6.598 10.341 1.00 0.00 C ATOM 0 H LEU A 38 -16.571 6.079 5.507 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.844 5.022 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.352 7.434 8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.748 7.623 7.048 1.00 0.00 H new ATOM 0 HG LEU A 38 -18.143 8.431 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -20.286 7.334 9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.103 7.716 8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.889 6.043 8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -18.380 6.828 11.199 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.788 5.528 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.720 6.888 10.559 1.00 0.00 H new ATOM 613 N LEU A 39 -18.838 3.868 7.438 1.00 0.00 N ATOM 614 CA LEU A 39 -20.024 3.177 7.020 1.00 0.00 C ATOM 615 C LEU A 39 -21.219 3.920 7.564 1.00 0.00 C ATOM 616 O LEU A 39 -21.333 4.074 8.748 1.00 0.00 O ATOM 617 CB LEU A 39 -20.036 1.737 7.552 1.00 0.00 C ATOM 618 CG LEU A 39 -18.812 0.865 7.250 1.00 0.00 C ATOM 619 CD1 LEU A 39 -18.981 -0.510 7.869 1.00 0.00 C ATOM 620 CD2 LEU A 39 -18.580 0.742 5.757 1.00 0.00 C ATOM 0 H LEU A 39 -18.329 3.412 8.195 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.053 3.138 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.162 1.778 8.634 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -20.915 1.236 7.148 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.939 1.348 7.688 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.105 -1.119 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.090 -0.412 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.869 -0.988 7.456 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.705 0.118 5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -19.454 0.288 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -18.414 1.732 5.332 1.00 0.00 H new ATOM 632 N LYS A 40 -22.091 4.382 6.713 1.00 0.00 N ATOM 633 CA LYS A 40 -23.245 5.155 7.169 1.00 0.00 C ATOM 634 C LYS A 40 -24.253 4.319 7.976 1.00 0.00 C ATOM 635 O LYS A 40 -24.908 4.834 8.871 1.00 0.00 O ATOM 636 CB LYS A 40 -23.930 5.859 5.996 1.00 0.00 C ATOM 637 CG LYS A 40 -24.347 4.928 4.867 1.00 0.00 C ATOM 638 CD LYS A 40 -25.060 5.668 3.748 1.00 0.00 C ATOM 639 CE LYS A 40 -24.177 6.721 3.093 1.00 0.00 C ATOM 640 NZ LYS A 40 -24.901 7.434 2.036 1.00 0.00 N ATOM 0 H LYS A 40 -22.039 4.246 5.703 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.858 5.910 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -24.812 6.381 6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -23.255 6.616 5.597 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -23.465 4.428 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -25.002 4.151 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -25.387 4.952 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -25.956 6.145 4.145 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -23.833 7.431 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -23.290 6.246 2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -24.224 7.956 1.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.421 6.750 1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -25.572 8.103 2.465 1.00 0.00 H new ATOM 654 N GLN A 41 -24.348 3.037 7.676 1.00 0.00 N ATOM 655 CA GLN A 41 -25.301 2.163 8.329 1.00 0.00 C ATOM 656 C GLN A 41 -24.807 1.717 9.717 1.00 0.00 C ATOM 657 O GLN A 41 -25.571 1.676 10.691 1.00 0.00 O ATOM 658 CB GLN A 41 -25.567 0.963 7.418 1.00 0.00 C ATOM 659 CG GLN A 41 -26.492 -0.092 7.966 1.00 0.00 C ATOM 660 CD GLN A 41 -27.918 0.382 8.241 1.00 0.00 C ATOM 661 OE1 GLN A 41 -28.166 1.534 8.561 1.00 0.00 O ATOM 662 NE2 GLN A 41 -28.854 -0.507 8.117 1.00 0.00 N ATOM 0 H GLN A 41 -23.768 2.575 6.975 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.231 2.707 8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.983 1.330 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.612 0.493 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.530 -0.922 7.261 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -26.069 -0.480 8.893 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -28.618 -1.462 7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -29.826 -0.251 8.288 1.00 0.00 H new ATOM 671 N ASP A 42 -23.542 1.401 9.807 1.00 0.00 N ATOM 672 CA ASP A 42 -22.967 0.923 11.069 1.00 0.00 C ATOM 673 C ASP A 42 -22.296 2.030 11.839 1.00 0.00 C ATOM 674 O ASP A 42 -21.993 1.873 13.003 1.00 0.00 O ATOM 675 CB ASP A 42 -21.966 -0.216 10.843 1.00 0.00 C ATOM 676 CG ASP A 42 -22.602 -1.550 10.562 1.00 0.00 C ATOM 677 OD1 ASP A 42 -22.858 -1.878 9.391 1.00 0.00 O ATOM 678 OD2 ASP A 42 -22.830 -2.318 11.516 1.00 0.00 O ATOM 0 H ASP A 42 -22.880 1.460 9.033 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.804 0.546 11.657 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -21.316 0.047 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.332 -0.307 11.725 1.00 0.00 H new ATOM 683 N ASN A 43 -22.050 3.140 11.156 1.00 0.00 N ATOM 684 CA ASN A 43 -21.351 4.356 11.657 1.00 0.00 C ATOM 685 C ASN A 43 -19.897 4.071 12.041 1.00 0.00 C ATOM 686 O ASN A 43 -19.226 4.885 12.674 1.00 0.00 O ATOM 687 CB ASN A 43 -22.144 5.191 12.743 1.00 0.00 C ATOM 688 CG ASN A 43 -21.740 5.023 14.230 1.00 0.00 C ATOM 689 OD1 ASN A 43 -21.749 6.005 14.986 1.00 0.00 O ATOM 690 ND2 ASN A 43 -21.463 3.837 14.679 1.00 0.00 N ATOM 0 H ASN A 43 -22.341 3.240 10.184 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.322 5.032 10.802 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.047 6.246 12.488 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -23.200 4.937 12.653 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.249 3.703 15.667 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.460 3.039 14.044 1.00 0.00 H new ATOM 697 N THR A 44 -19.389 2.962 11.572 1.00 0.00 N ATOM 698 CA THR A 44 -18.059 2.553 11.879 1.00 0.00 C ATOM 699 C THR A 44 -17.092 3.020 10.833 1.00 0.00 C ATOM 700 O THR A 44 -17.435 3.117 9.657 1.00 0.00 O ATOM 701 CB THR A 44 -17.976 1.034 12.023 1.00 0.00 C ATOM 702 OG1 THR A 44 -18.853 0.410 11.073 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.315 0.610 13.432 1.00 0.00 C ATOM 0 H THR A 44 -19.895 2.319 10.964 1.00 0.00 H new ATOM 0 HA THR A 44 -17.787 3.012 12.830 1.00 0.00 H new ATOM 0 HB THR A 44 -16.954 0.714 11.820 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.797 -0.564 11.166 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.249 -0.475 13.511 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.613 1.068 14.129 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.328 0.931 13.675 1.00 0.00 H new ATOM 711 N THR A 45 -15.914 3.350 11.248 1.00 0.00 N ATOM 712 CA THR A 45 -14.904 3.731 10.318 1.00 0.00 C ATOM 713 C THR A 45 -14.069 2.493 10.053 1.00 0.00 C ATOM 714 O THR A 45 -13.846 1.690 10.961 1.00 0.00 O ATOM 715 CB THR A 45 -14.029 4.826 10.895 1.00 0.00 C ATOM 716 OG1 THR A 45 -14.859 5.730 11.646 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.339 5.607 9.788 1.00 0.00 C ATOM 0 H THR A 45 -15.627 3.363 12.227 1.00 0.00 H new ATOM 0 HA THR A 45 -15.351 4.117 9.402 1.00 0.00 H new ATOM 0 HB THR A 45 -13.270 4.371 11.531 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.305 6.443 12.027 1.00 0.00 H new ATOM 0 HG21 THR A 45 -12.717 6.387 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.715 4.933 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.089 6.062 9.142 1.00 0.00 H new ATOM 725 N GLN A 46 -13.649 2.324 8.855 1.00 0.00 N ATOM 726 CA GLN A 46 -12.930 1.148 8.469 1.00 0.00 C ATOM 727 C GLN A 46 -11.885 1.543 7.450 1.00 0.00 C ATOM 728 O GLN A 46 -12.127 2.409 6.620 1.00 0.00 O ATOM 729 CB GLN A 46 -13.907 0.150 7.814 1.00 0.00 C ATOM 730 CG GLN A 46 -13.445 -1.304 7.801 1.00 0.00 C ATOM 731 CD GLN A 46 -13.380 -1.871 9.204 1.00 0.00 C ATOM 732 OE1 GLN A 46 -12.354 -1.777 9.887 1.00 0.00 O ATOM 733 NE2 GLN A 46 -14.456 -2.460 9.644 1.00 0.00 N ATOM 0 H GLN A 46 -13.791 2.997 8.102 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.463 0.690 9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -14.862 0.206 8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -14.088 0.465 6.786 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.129 -1.900 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.463 -1.372 7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.284 -2.518 9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.470 -2.863 10.581 1.00 0.00 H new ATOM 742 N LEU A 47 -10.743 0.953 7.537 1.00 0.00 N ATOM 743 CA LEU A 47 -9.727 1.121 6.556 1.00 0.00 C ATOM 744 C LEU A 47 -9.754 -0.075 5.675 1.00 0.00 C ATOM 745 O LEU A 47 -9.497 -1.208 6.113 1.00 0.00 O ATOM 746 CB LEU A 47 -8.357 1.299 7.181 1.00 0.00 C ATOM 747 CG LEU A 47 -8.064 2.669 7.792 1.00 0.00 C ATOM 748 CD1 LEU A 47 -6.831 2.585 8.655 1.00 0.00 C ATOM 749 CD2 LEU A 47 -7.838 3.696 6.685 1.00 0.00 C ATOM 0 H LEU A 47 -10.485 0.331 8.303 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.919 2.028 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.235 0.545 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.604 1.096 6.419 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.915 2.976 8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.624 3.563 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.994 1.860 9.453 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.982 2.271 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.630 4.670 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.992 3.389 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.731 3.764 6.064 1.00 0.00 H new ATOM 761 N VAL A 48 -10.113 0.146 4.481 1.00 0.00 N ATOM 762 CA VAL A 48 -10.266 -0.883 3.523 1.00 0.00 C ATOM 763 C VAL A 48 -9.414 -0.554 2.328 1.00 0.00 C ATOM 764 O VAL A 48 -8.747 0.458 2.303 1.00 0.00 O ATOM 765 CB VAL A 48 -11.752 -1.035 3.105 1.00 0.00 C ATOM 766 CG1 VAL A 48 -12.588 -1.479 4.293 1.00 0.00 C ATOM 767 CG2 VAL A 48 -12.291 0.281 2.566 1.00 0.00 C ATOM 0 H VAL A 48 -10.318 1.078 4.121 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.949 -1.832 3.955 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.812 -1.790 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.629 -1.582 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.220 -2.438 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.515 -0.736 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.335 0.156 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.217 1.048 3.337 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.708 0.584 1.696 1.00 0.00 H new ATOM 777 N GLN A 49 -9.427 -1.382 1.365 1.00 0.00 N ATOM 778 CA GLN A 49 -8.648 -1.159 0.193 1.00 0.00 C ATOM 779 C GLN A 49 -9.541 -1.005 -1.015 1.00 0.00 C ATOM 780 O GLN A 49 -10.706 -1.379 -0.981 1.00 0.00 O ATOM 781 CB GLN A 49 -7.646 -2.283 0.017 1.00 0.00 C ATOM 782 CG GLN A 49 -8.290 -3.640 0.066 1.00 0.00 C ATOM 783 CD GLN A 49 -7.315 -4.781 -0.008 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.274 -4.690 -0.648 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.622 -5.835 0.689 1.00 0.00 N ATOM 0 H GLN A 49 -9.976 -2.241 1.354 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.090 -0.229 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.133 -2.162 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.888 -2.216 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.864 -3.725 0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.997 -3.725 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.500 -5.866 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.984 -6.631 0.718 1.00 0.00 H new ATOM 794 N ASP A 50 -8.961 -0.498 -2.080 1.00 0.00 N ATOM 795 CA ASP A 50 -9.628 -0.223 -3.384 1.00 0.00 C ATOM 796 C ASP A 50 -10.230 -1.500 -4.001 1.00 0.00 C ATOM 797 O ASP A 50 -11.100 -1.458 -4.845 1.00 0.00 O ATOM 798 CB ASP A 50 -8.603 0.440 -4.334 1.00 0.00 C ATOM 799 CG ASP A 50 -9.076 0.633 -5.765 1.00 0.00 C ATOM 800 OD1 ASP A 50 -9.942 1.473 -6.000 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.519 -0.043 -6.681 1.00 0.00 O ATOM 0 H ASP A 50 -7.972 -0.247 -2.087 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.464 0.457 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.329 1.412 -3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.698 -0.167 -4.346 1.00 0.00 H new ATOM 806 N ASP A 51 -9.757 -2.618 -3.531 1.00 0.00 N ATOM 807 CA ASP A 51 -10.249 -3.956 -3.938 1.00 0.00 C ATOM 808 C ASP A 51 -11.636 -4.194 -3.377 1.00 0.00 C ATOM 809 O ASP A 51 -12.511 -4.779 -4.025 1.00 0.00 O ATOM 810 CB ASP A 51 -9.297 -5.041 -3.405 1.00 0.00 C ATOM 811 CG ASP A 51 -9.812 -6.470 -3.568 1.00 0.00 C ATOM 812 OD1 ASP A 51 -9.646 -7.071 -4.645 1.00 0.00 O ATOM 813 OD2 ASP A 51 -10.339 -7.026 -2.592 1.00 0.00 O ATOM 0 H ASP A 51 -9.006 -2.655 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.287 -4.000 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.340 -4.952 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.109 -4.854 -2.348 1.00 0.00 H new ATOM 818 N GLN A 52 -11.846 -3.663 -2.205 1.00 0.00 N ATOM 819 CA GLN A 52 -13.064 -3.858 -1.458 1.00 0.00 C ATOM 820 C GLN A 52 -14.012 -2.715 -1.703 1.00 0.00 C ATOM 821 O GLN A 52 -15.176 -2.772 -1.327 1.00 0.00 O ATOM 822 CB GLN A 52 -12.715 -3.950 0.023 1.00 0.00 C ATOM 823 CG GLN A 52 -11.777 -5.099 0.319 1.00 0.00 C ATOM 824 CD GLN A 52 -11.280 -5.173 1.757 1.00 0.00 C ATOM 825 OE1 GLN A 52 -10.174 -5.646 2.004 1.00 0.00 O ATOM 826 NE2 GLN A 52 -12.065 -4.733 2.712 1.00 0.00 N ATOM 0 H GLN A 52 -11.164 -3.071 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.553 -4.778 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.255 -3.016 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.630 -4.071 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.284 -6.033 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.915 -5.024 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.980 -4.344 2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.761 -4.780 3.684 1.00 0.00 H new ATOM 835 N VAL A 53 -13.508 -1.693 -2.335 1.00 0.00 N ATOM 836 CA VAL A 53 -14.286 -0.498 -2.600 1.00 0.00 C ATOM 837 C VAL A 53 -14.704 -0.413 -4.050 1.00 0.00 C ATOM 838 O VAL A 53 -13.926 -0.715 -4.950 1.00 0.00 O ATOM 839 CB VAL A 53 -13.491 0.790 -2.240 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.284 2.046 -2.554 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.131 0.787 -0.794 1.00 0.00 C ATOM 0 H VAL A 53 -12.550 -1.656 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.174 -0.567 -1.972 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.586 0.793 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.695 2.924 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.516 2.073 -3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.211 2.044 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.575 1.694 -0.556 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.040 0.750 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.515 -0.085 -0.574 1.00 0.00 H new ATOM 851 N LYS A 54 -15.944 -0.080 -4.269 1.00 0.00 N ATOM 852 CA LYS A 54 -16.395 0.263 -5.579 1.00 0.00 C ATOM 853 C LYS A 54 -17.067 1.628 -5.577 1.00 0.00 C ATOM 854 O LYS A 54 -18.055 1.860 -4.858 1.00 0.00 O ATOM 855 CB LYS A 54 -17.253 -0.818 -6.265 1.00 0.00 C ATOM 856 CG LYS A 54 -18.497 -1.300 -5.531 1.00 0.00 C ATOM 857 CD LYS A 54 -18.154 -2.326 -4.471 1.00 0.00 C ATOM 858 CE LYS A 54 -19.392 -2.813 -3.731 1.00 0.00 C ATOM 859 NZ LYS A 54 -20.416 -3.375 -4.635 1.00 0.00 N ATOM 0 H LYS A 54 -16.663 -0.040 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.501 0.321 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -17.564 -0.434 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.617 -1.683 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.999 -0.451 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.197 -1.733 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.652 -3.174 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.453 -1.892 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.100 -3.571 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -19.824 -1.984 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -21.139 -3.871 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.863 -2.606 -5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.968 -4.044 -5.293 1.00 0.00 H new ATOM 873 N GLY A 55 -16.481 2.528 -6.324 1.00 0.00 N ATOM 874 CA GLY A 55 -16.974 3.889 -6.444 1.00 0.00 C ATOM 875 C GLY A 55 -15.809 4.877 -6.529 1.00 0.00 C ATOM 876 O GLY A 55 -14.679 4.451 -6.786 1.00 0.00 O ATOM 0 H GLY A 55 -15.642 2.342 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.599 3.978 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.602 4.131 -5.587 1.00 0.00 H new ATOM 880 N PRO A 56 -16.039 6.193 -6.341 1.00 0.00 N ATOM 881 CA PRO A 56 -14.973 7.206 -6.397 1.00 0.00 C ATOM 882 C PRO A 56 -14.156 7.287 -5.113 1.00 0.00 C ATOM 883 O PRO A 56 -14.701 7.329 -4.010 1.00 0.00 O ATOM 884 CB PRO A 56 -15.716 8.528 -6.561 1.00 0.00 C ATOM 885 CG PRO A 56 -17.166 8.187 -6.687 1.00 0.00 C ATOM 886 CD PRO A 56 -17.341 6.814 -6.085 1.00 0.00 C ATOM 0 HA PRO A 56 -14.273 6.966 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.544 9.179 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.365 9.063 -7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.783 8.920 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.476 8.194 -7.732 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.566 6.863 -5.020 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.154 6.263 -6.558 1.00 0.00 H new ATOM 894 N LEU A 57 -12.870 7.391 -5.252 1.00 0.00 N ATOM 895 CA LEU A 57 -12.018 7.475 -4.094 1.00 0.00 C ATOM 896 C LEU A 57 -11.718 8.934 -3.819 1.00 0.00 C ATOM 897 O LEU A 57 -10.696 9.479 -4.264 1.00 0.00 O ATOM 898 CB LEU A 57 -10.691 6.682 -4.259 1.00 0.00 C ATOM 899 CG LEU A 57 -10.780 5.171 -4.556 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.761 4.477 -3.636 1.00 0.00 C ATOM 901 CD2 LEU A 57 -11.090 4.891 -6.020 1.00 0.00 C ATOM 0 H LEU A 57 -12.384 7.420 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.547 7.021 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.122 7.147 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.111 6.809 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.794 4.752 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.796 3.414 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.443 4.605 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.752 4.911 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.143 3.814 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.046 5.345 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.304 5.313 -6.646 1.00 0.00 H new ATOM 913 N ARG A 58 -12.650 9.573 -3.166 1.00 0.00 N ATOM 914 CA ARG A 58 -12.549 10.967 -2.821 1.00 0.00 C ATOM 915 C ARG A 58 -13.111 11.175 -1.438 1.00 0.00 C ATOM 916 O ARG A 58 -14.104 10.553 -1.087 1.00 0.00 O ATOM 917 CB ARG A 58 -13.273 11.800 -3.889 1.00 0.00 C ATOM 918 CG ARG A 58 -13.296 13.301 -3.670 1.00 0.00 C ATOM 919 CD ARG A 58 -13.840 14.005 -4.900 1.00 0.00 C ATOM 920 NE ARG A 58 -15.172 13.513 -5.283 1.00 0.00 N ATOM 921 CZ ARG A 58 -15.607 13.371 -6.544 1.00 0.00 C ATOM 922 NH1 ARG A 58 -14.840 13.745 -7.570 1.00 0.00 N ATOM 923 NH2 ARG A 58 -16.811 12.865 -6.768 1.00 0.00 N ATOM 0 H ARG A 58 -13.516 9.133 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.509 11.294 -2.801 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.804 11.602 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.303 11.448 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.913 13.539 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.290 13.659 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.892 15.077 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.150 13.863 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.814 13.260 -4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.916 14.142 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.178 13.634 -8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.401 12.586 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.148 12.754 -7.724 1.00 0.00 H new ATOM 937 N VAL A 59 -12.475 12.001 -0.636 1.00 0.00 N ATOM 938 CA VAL A 59 -12.957 12.242 0.710 1.00 0.00 C ATOM 939 C VAL A 59 -14.284 12.975 0.645 1.00 0.00 C ATOM 940 O VAL A 59 -14.385 14.051 0.053 1.00 0.00 O ATOM 941 CB VAL A 59 -11.951 13.035 1.576 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.456 13.137 3.008 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.592 12.362 1.555 1.00 0.00 C ATOM 0 H VAL A 59 -11.630 12.514 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 59 -13.084 11.272 1.191 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.854 14.039 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.739 13.698 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.418 13.650 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.574 12.137 3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.894 12.932 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.681 11.350 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.223 12.320 0.530 1.00 0.00 H new ATOM 953 N GLY A 60 -15.281 12.382 1.233 1.00 0.00 N ATOM 954 CA GLY A 60 -16.602 12.923 1.178 1.00 0.00 C ATOM 955 C GLY A 60 -17.424 12.283 0.084 1.00 0.00 C ATOM 956 O GLY A 60 -18.577 12.672 -0.142 1.00 0.00 O ATOM 0 H GLY A 60 -15.200 11.513 1.762 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -17.096 12.775 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.548 13.999 1.010 1.00 0.00 H new ATOM 960 N ALA A 61 -16.859 11.288 -0.587 1.00 0.00 N ATOM 961 CA ALA A 61 -17.568 10.635 -1.673 1.00 0.00 C ATOM 962 C ALA A 61 -18.285 9.419 -1.159 1.00 0.00 C ATOM 963 O ALA A 61 -17.964 8.907 -0.081 1.00 0.00 O ATOM 964 CB ALA A 61 -16.640 10.273 -2.827 1.00 0.00 C ATOM 0 H ALA A 61 -15.926 10.921 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.300 11.340 -2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.213 9.787 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.177 11.178 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.865 9.594 -2.471 1.00 0.00 H new ATOM 970 N ILE A 62 -19.236 8.964 -1.918 1.00 0.00 N ATOM 971 CA ILE A 62 -20.069 7.859 -1.535 1.00 0.00 C ATOM 972 C ILE A 62 -19.695 6.631 -2.356 1.00 0.00 C ATOM 973 O ILE A 62 -19.778 6.649 -3.595 1.00 0.00 O ATOM 974 CB ILE A 62 -21.569 8.200 -1.777 1.00 0.00 C ATOM 975 CG1 ILE A 62 -21.956 9.529 -1.098 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.464 7.076 -1.293 1.00 0.00 C ATOM 977 CD1 ILE A 62 -21.726 9.561 0.400 1.00 0.00 C ATOM 0 H ILE A 62 -19.460 9.354 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.917 7.657 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.712 8.315 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.386 10.336 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.009 9.730 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.507 7.338 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.222 6.160 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.308 6.921 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.025 10.532 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.318 8.779 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.669 9.395 0.609 1.00 0.00 H new ATOM 989 N VAL A 63 -19.274 5.595 -1.686 1.00 0.00 N ATOM 990 CA VAL A 63 -18.904 4.355 -2.336 1.00 0.00 C ATOM 991 C VAL A 63 -19.582 3.215 -1.655 1.00 0.00 C ATOM 992 O VAL A 63 -20.270 3.399 -0.663 1.00 0.00 O ATOM 993 CB VAL A 63 -17.378 4.075 -2.276 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.609 5.102 -3.038 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.882 4.000 -0.836 1.00 0.00 C ATOM 0 H VAL A 63 -19.175 5.580 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.205 4.453 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.210 3.105 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.544 4.878 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.923 5.091 -4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.798 6.088 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.810 3.803 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.080 4.947 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.401 3.197 -0.314 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.392 2.057 -2.178 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.844 0.870 -1.545 1.00 0.00 C ATOM 1007 C GLU A 64 -18.626 0.041 -1.297 1.00 0.00 C ATOM 1008 O GLU A 64 -17.790 -0.113 -2.192 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.851 0.154 -2.406 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.078 0.999 -2.696 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.149 0.257 -3.433 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -22.931 -0.121 -4.605 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -24.246 0.065 -2.871 1.00 0.00 O ATOM 0 H GLU A 64 -18.914 1.905 -3.066 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.356 1.084 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.381 -0.132 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.158 -0.767 -1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.485 1.371 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.781 1.869 -3.281 1.00 0.00 H new ATOM 1020 N THR A 65 -18.483 -0.449 -0.119 1.00 0.00 N ATOM 1021 CA THR A 65 -17.266 -1.094 0.241 1.00 0.00 C ATOM 1022 C THR A 65 -17.493 -2.260 1.181 1.00 0.00 C ATOM 1023 O THR A 65 -18.501 -2.326 1.891 1.00 0.00 O ATOM 1024 CB THR A 65 -16.317 -0.066 0.884 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.087 -0.683 1.277 1.00 0.00 O ATOM 1026 CG2 THR A 65 -16.977 0.583 2.084 1.00 0.00 C ATOM 0 H THR A 65 -19.191 -0.418 0.614 1.00 0.00 H new ATOM 0 HA THR A 65 -16.817 -1.499 -0.666 1.00 0.00 H new ATOM 0 HB THR A 65 -16.097 0.701 0.142 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.165 -1.010 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.294 1.307 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.888 1.090 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.224 -0.181 2.821 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.558 -3.166 1.166 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.595 -4.325 2.017 1.00 0.00 C ATOM 1036 C ARG A 66 -15.922 -4.013 3.313 1.00 0.00 C ATOM 1037 O ARG A 66 -14.752 -3.629 3.335 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.852 -5.489 1.398 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.125 -6.820 2.075 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.349 -7.945 1.410 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.833 -9.277 1.809 1.00 0.00 N ATOM 1042 CZ ARG A 66 -15.085 -10.398 1.857 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -13.763 -10.339 1.719 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -15.670 -11.578 2.065 1.00 0.00 N ATOM 0 H ARG A 66 -15.740 -3.123 0.558 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.642 -4.591 2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.126 -5.564 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.782 -5.286 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.850 -6.758 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.192 -7.038 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.425 -7.844 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.293 -7.854 1.665 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.815 -9.359 2.071 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.305 -9.439 1.575 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.208 -11.194 1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.681 -11.631 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.106 -12.427 2.102 1.00 0.00 H new ATOM 1058 N THR A 67 -16.635 -4.172 4.363 1.00 0.00 N ATOM 1059 CA THR A 67 -16.063 -4.035 5.677 1.00 0.00 C ATOM 1060 C THR A 67 -15.425 -5.388 6.059 1.00 0.00 C ATOM 1061 O THR A 67 -15.692 -6.406 5.391 1.00 0.00 O ATOM 1062 CB THR A 67 -17.127 -3.583 6.723 1.00 0.00 C ATOM 1063 OG1 THR A 67 -16.555 -3.488 8.047 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.285 -4.532 6.732 1.00 0.00 C ATOM 0 H THR A 67 -17.629 -4.400 4.353 1.00 0.00 H new ATOM 0 HA THR A 67 -15.301 -3.256 5.671 1.00 0.00 H new ATOM 0 HB THR A 67 -17.479 -2.593 6.433 1.00 0.00 H new ATOM 0 HG1 THR A 67 -17.006 -4.121 8.644 1.00 0.00 H new ATOM 0 HG21 THR A 67 -19.019 -4.203 7.467 1.00 0.00 H new ATOM 0 HG22 THR A 67 -18.745 -4.554 5.744 1.00 0.00 H new ATOM 0 HG23 THR A 67 -17.935 -5.531 6.991 1.00 0.00 H new ATOM 1072 N SER A 68 -14.630 -5.426 7.123 1.00 0.00 N ATOM 1073 CA SER A 68 -13.967 -6.653 7.548 1.00 0.00 C ATOM 1074 C SER A 68 -14.967 -7.663 8.135 1.00 0.00 C ATOM 1075 O SER A 68 -14.622 -8.801 8.448 1.00 0.00 O ATOM 1076 CB SER A 68 -12.829 -6.324 8.520 1.00 0.00 C ATOM 1077 OG SER A 68 -13.255 -5.393 9.509 1.00 0.00 O ATOM 0 H SER A 68 -14.429 -4.616 7.710 1.00 0.00 H new ATOM 0 HA SER A 68 -13.530 -7.135 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.482 -7.238 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.983 -5.913 7.969 1.00 0.00 H new ATOM 0 HG SER A 68 -12.512 -5.200 10.118 1.00 0.00 H new ATOM 1083 N ASP A 69 -16.213 -7.222 8.252 1.00 0.00 N ATOM 1084 CA ASP A 69 -17.315 -8.055 8.705 1.00 0.00 C ATOM 1085 C ASP A 69 -17.807 -8.905 7.537 1.00 0.00 C ATOM 1086 O ASP A 69 -18.634 -9.793 7.698 1.00 0.00 O ATOM 1087 CB ASP A 69 -18.465 -7.185 9.236 1.00 0.00 C ATOM 1088 CG ASP A 69 -18.019 -6.222 10.311 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -17.606 -5.088 9.965 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -18.038 -6.597 11.513 1.00 0.00 O ATOM 0 H ASP A 69 -16.488 -6.265 8.032 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.969 -8.699 9.514 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -18.902 -6.624 8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -19.249 -7.829 9.634 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.317 -8.585 6.344 1.00 0.00 N ATOM 1096 CA GLY A 70 -17.612 -9.368 5.169 1.00 0.00 C ATOM 1097 C GLY A 70 -18.634 -8.734 4.247 1.00 0.00 C ATOM 1098 O GLY A 70 -18.650 -9.024 3.044 1.00 0.00 O ATOM 0 H GLY A 70 -16.711 -7.782 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.689 -9.532 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.976 -10.347 5.479 1.00 0.00 H new ATOM 1102 N SER A 71 -19.437 -7.852 4.771 1.00 0.00 N ATOM 1103 CA SER A 71 -20.505 -7.262 4.010 1.00 0.00 C ATOM 1104 C SER A 71 -20.073 -6.008 3.231 1.00 0.00 C ATOM 1105 O SER A 71 -19.209 -5.241 3.682 1.00 0.00 O ATOM 1106 CB SER A 71 -21.673 -6.967 4.959 1.00 0.00 C ATOM 1107 OG SER A 71 -21.221 -6.302 6.140 1.00 0.00 O ATOM 0 H SER A 71 -19.372 -7.522 5.734 1.00 0.00 H new ATOM 0 HA SER A 71 -20.817 -7.974 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 71 -22.412 -6.348 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.170 -7.899 5.230 1.00 0.00 H new ATOM 0 HG SER A 71 -21.815 -5.548 6.339 1.00 0.00 H new ATOM 1113 N PHE A 72 -20.646 -5.839 2.059 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.449 -4.651 1.255 1.00 0.00 C ATOM 1115 C PHE A 72 -21.572 -3.695 1.561 1.00 0.00 C ATOM 1116 O PHE A 72 -22.738 -4.039 1.391 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.451 -4.968 -0.243 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.263 -5.736 -0.754 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -18.154 -5.061 -1.226 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -19.269 -7.114 -0.801 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -17.068 -5.743 -1.738 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -18.191 -7.809 -1.318 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.088 -7.121 -1.787 1.00 0.00 C ATOM 0 H PHE A 72 -21.267 -6.527 1.633 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.478 -4.219 1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.353 -5.536 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -20.516 -4.029 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -18.136 -3.982 -1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -20.126 -7.657 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.207 -5.200 -2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -18.211 -8.888 -1.355 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.244 -7.661 -2.191 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.244 -2.526 2.034 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.248 -1.562 2.435 1.00 0.00 C ATOM 1135 C GLN A 73 -21.848 -0.191 1.904 1.00 0.00 C ATOM 1136 O GLN A 73 -20.670 0.019 1.569 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.359 -1.533 3.974 1.00 0.00 C ATOM 1138 CG GLN A 73 -22.472 -2.920 4.612 1.00 0.00 C ATOM 1139 CD GLN A 73 -22.711 -2.909 6.104 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -23.298 -3.847 6.652 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -22.305 -1.868 6.774 1.00 0.00 N ATOM 0 H GLN A 73 -20.282 -2.209 2.155 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.219 -1.840 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.485 -1.026 4.382 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -23.231 -0.942 4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.287 -3.461 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -21.556 -3.475 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -21.823 -1.109 6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -22.469 -1.812 7.779 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.801 0.720 1.812 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.535 2.056 1.303 1.00 0.00 C ATOM 1152 C GLU A 74 -21.830 2.885 2.380 1.00 0.00 C ATOM 1153 O GLU A 74 -22.249 2.908 3.539 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.840 2.731 0.835 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.626 4.075 0.161 1.00 0.00 C ATOM 1156 CD GLU A 74 -24.898 4.710 -0.345 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.536 5.471 0.416 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.266 4.488 -1.517 1.00 0.00 O ATOM 0 H GLU A 74 -23.771 0.559 2.084 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.878 1.986 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.354 2.065 0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.497 2.866 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.148 4.754 0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -22.937 3.947 -0.674 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.776 3.543 2.015 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.974 4.271 2.958 1.00 0.00 C ATOM 1167 C ALA A 75 -19.491 5.582 2.382 1.00 0.00 C ATOM 1168 O ALA A 75 -19.699 5.868 1.196 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.792 3.429 3.372 1.00 0.00 C ATOM 0 H ALA A 75 -20.443 3.593 1.052 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.593 4.495 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -18.184 3.982 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -19.146 2.507 3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.191 3.189 2.495 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.858 6.371 3.222 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.301 7.661 2.802 1.00 0.00 C ATOM 1177 C ILE A 76 -16.798 7.629 3.037 1.00 0.00 C ATOM 1178 O ILE A 76 -16.349 7.081 4.041 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.870 8.907 3.593 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -20.414 8.904 3.716 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.404 10.215 2.933 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.967 8.012 4.820 1.00 0.00 C ATOM 0 H ILE A 76 -18.710 6.150 4.207 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.577 7.787 1.755 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.472 8.834 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.752 9.925 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.839 8.586 2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.803 11.065 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.315 10.257 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.764 10.252 1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.055 8.076 4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.665 6.980 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.577 8.341 5.783 1.00 0.00 H new ATOM 1194 N ILE A 77 -16.030 8.190 2.135 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.585 8.235 2.300 1.00 0.00 C ATOM 1196 C ILE A 77 -14.189 9.358 3.256 1.00 0.00 C ATOM 1197 O ILE A 77 -14.607 10.491 3.091 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.795 8.417 0.960 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.973 7.248 -0.005 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.318 8.628 1.217 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.312 7.171 -0.654 1.00 0.00 C ATOM 0 H ILE A 77 -16.374 8.623 1.278 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.313 7.261 2.707 1.00 0.00 H new ATOM 0 HB ILE A 77 -14.219 9.305 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -13.212 7.318 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.793 6.319 0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.797 8.751 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -12.179 9.521 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.913 7.764 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.344 6.310 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.082 7.066 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.491 8.081 -1.227 1.00 0.00 H new ATOM 1213 N SER A 78 -13.401 9.026 4.242 1.00 0.00 N ATOM 1214 CA SER A 78 -12.889 9.981 5.194 1.00 0.00 C ATOM 1215 C SER A 78 -11.379 10.248 4.952 1.00 0.00 C ATOM 1216 O SER A 78 -10.830 11.266 5.405 1.00 0.00 O ATOM 1217 CB SER A 78 -13.106 9.430 6.599 1.00 0.00 C ATOM 1218 OG SER A 78 -14.473 9.100 6.801 1.00 0.00 O ATOM 0 H SER A 78 -13.090 8.069 4.412 1.00 0.00 H new ATOM 0 HA SER A 78 -13.417 10.927 5.077 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.487 8.545 6.748 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.791 10.168 7.337 1.00 0.00 H new ATOM 0 HG SER A 78 -14.594 8.746 7.707 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.728 9.358 4.210 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.279 9.440 3.958 1.00 0.00 C ATOM 1226 C LYS A 79 -8.905 8.394 2.919 1.00 0.00 C ATOM 1227 O LYS A 79 -9.639 7.431 2.737 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.491 9.113 5.264 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.009 9.461 5.239 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.824 10.954 5.179 1.00 0.00 C ATOM 1231 CE LYS A 79 -5.367 11.351 5.183 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.219 12.816 5.229 1.00 0.00 N ATOM 0 H LYS A 79 -11.181 8.560 3.765 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.034 10.445 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.958 9.646 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.593 8.048 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.520 9.063 6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.533 8.994 4.377 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.301 11.341 4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.326 11.415 6.030 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.867 10.904 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.878 10.960 4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.209 13.063 5.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.677 13.238 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.667 13.183 6.093 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.812 8.603 2.224 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.234 7.581 1.375 1.00 0.00 C ATOM 1248 C LEU A 80 -5.775 7.551 1.740 1.00 0.00 C ATOM 1249 O LEU A 80 -5.219 8.595 2.069 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.316 7.851 -0.152 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.660 8.201 -0.831 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -9.710 7.156 -0.573 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -9.145 9.605 -0.486 1.00 0.00 C ATOM 0 H LEU A 80 -7.297 9.483 2.229 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.790 6.658 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.628 8.668 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.927 6.965 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.472 8.202 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.638 7.442 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.372 6.196 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.883 7.071 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.092 9.797 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.284 9.687 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.406 10.336 -0.813 1.00 0.00 H new ATOM 1265 N THR A 81 -5.181 6.400 1.746 1.00 0.00 N ATOM 1266 CA THR A 81 -3.799 6.250 2.049 1.00 0.00 C ATOM 1267 C THR A 81 -3.127 5.305 1.041 1.00 0.00 C ATOM 1268 O THR A 81 -3.808 4.529 0.359 1.00 0.00 O ATOM 1269 CB THR A 81 -3.641 5.709 3.472 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.581 4.641 3.686 1.00 0.00 O ATOM 1271 CG2 THR A 81 -3.833 6.791 4.526 1.00 0.00 C ATOM 0 H THR A 81 -5.656 5.522 1.536 1.00 0.00 H new ATOM 0 HA THR A 81 -3.313 7.223 1.981 1.00 0.00 H new ATOM 0 HB THR A 81 -2.621 5.337 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.331 4.736 3.063 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.711 6.358 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.092 7.577 4.380 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.833 7.214 4.435 1.00 0.00 H new ATOM 1301 N SER A 84 -0.985 -1.217 -1.417 1.00 0.00 N ATOM 1302 CA SER A 84 -0.179 -1.975 -2.351 1.00 0.00 C ATOM 1303 C SER A 84 -0.906 -3.104 -3.129 1.00 0.00 C ATOM 1304 O SER A 84 -1.617 -3.937 -2.551 1.00 0.00 O ATOM 1305 CB SER A 84 0.973 -2.535 -1.571 1.00 0.00 C ATOM 1306 OG SER A 84 0.542 -2.806 -0.228 1.00 0.00 O ATOM 0 HA SER A 84 0.127 -1.288 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.337 -3.449 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.802 -1.828 -1.565 1.00 0.00 H new ATOM 0 HG SER A 84 -0.232 -2.245 -0.013 1.00 0.00 H new ATOM 1312 N TRP A 85 -0.716 -3.064 -4.436 1.00 0.00 N ATOM 1313 CA TRP A 85 -1.068 -4.121 -5.383 1.00 0.00 C ATOM 1314 C TRP A 85 0.211 -4.890 -5.559 1.00 0.00 C ATOM 1315 O TRP A 85 1.300 -4.307 -5.384 1.00 0.00 O ATOM 1316 CB TRP A 85 -1.342 -3.584 -6.802 1.00 0.00 C ATOM 1317 CG TRP A 85 -2.541 -2.736 -7.069 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -2.688 -1.412 -6.825 1.00 0.00 C ATOM 1319 CD2 TRP A 85 -3.725 -3.148 -7.757 1.00 0.00 C ATOM 1320 NE1 TRP A 85 -3.908 -0.981 -7.283 1.00 0.00 N ATOM 1321 CE2 TRP A 85 -4.561 -2.029 -7.859 1.00 0.00 C ATOM 1322 CE3 TRP A 85 -4.162 -4.364 -8.281 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 -5.805 -2.082 -8.471 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 -5.394 -4.416 -8.888 1.00 0.00 C ATOM 1325 CH2 TRP A 85 -6.203 -3.280 -8.980 1.00 0.00 C ATOM 0 H TRP A 85 -0.292 -2.257 -4.893 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.942 -4.656 -5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -0.467 -3.009 -7.104 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -1.402 -4.446 -7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -1.953 -0.787 -6.341 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -4.268 -0.030 -7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -3.545 -5.247 -8.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -6.433 -1.206 -8.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -5.743 -5.351 -9.301 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -7.165 -3.354 -9.466 1.00 0.00 H new ATOM 1336 N TYR A 86 0.137 -6.124 -5.940 1.00 0.00 N ATOM 1337 CA TYR A 86 1.346 -6.868 -6.152 1.00 0.00 C ATOM 1338 C TYR A 86 1.271 -7.649 -7.455 1.00 0.00 C ATOM 1339 O TYR A 86 0.379 -8.488 -7.643 1.00 0.00 O ATOM 1340 CB TYR A 86 1.638 -7.803 -4.970 1.00 0.00 C ATOM 1341 CG TYR A 86 1.776 -7.102 -3.618 1.00 0.00 C ATOM 1342 CD1 TYR A 86 2.985 -6.543 -3.205 1.00 0.00 C ATOM 1343 CD2 TYR A 86 0.698 -7.018 -2.751 1.00 0.00 C ATOM 1344 CE1 TYR A 86 3.107 -5.935 -1.975 1.00 0.00 C ATOM 1345 CE2 TYR A 86 0.816 -6.406 -1.528 1.00 0.00 C ATOM 1346 CZ TYR A 86 2.014 -5.873 -1.143 1.00 0.00 C ATOM 1347 OH TYR A 86 2.122 -5.290 0.096 1.00 0.00 O ATOM 0 H TYR A 86 -0.729 -6.635 -6.110 1.00 0.00 H new ATOM 0 HA TYR A 86 2.170 -6.158 -6.224 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.838 -8.540 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.558 -8.350 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.841 -6.588 -3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.252 -7.442 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.052 -5.511 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.038 -6.346 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 86 1.615 -4.452 0.108 1.00 0.00 H new ATOM 1357 N THR A 87 2.157 -7.334 -8.370 1.00 0.00 N ATOM 1358 CA THR A 87 2.276 -8.067 -9.579 1.00 0.00 C ATOM 1359 C THR A 87 3.145 -9.233 -9.267 1.00 0.00 C ATOM 1360 O THR A 87 4.355 -9.083 -9.068 1.00 0.00 O ATOM 1361 CB THR A 87 2.954 -7.241 -10.677 1.00 0.00 C ATOM 1362 OG1 THR A 87 2.329 -5.948 -10.755 1.00 0.00 O ATOM 1363 CG2 THR A 87 2.830 -7.960 -12.025 1.00 0.00 C ATOM 0 H THR A 87 2.812 -6.557 -8.283 1.00 0.00 H new ATOM 0 HA THR A 87 1.288 -8.352 -9.941 1.00 0.00 H new ATOM 0 HB THR A 87 4.011 -7.121 -10.438 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.649 -5.478 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.315 -7.366 -12.800 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.311 -8.936 -11.962 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.776 -8.090 -12.273 1.00 0.00 H new ATOM 1371 N VAL A 88 2.553 -10.351 -9.147 1.00 0.00 N ATOM 1372 CA VAL A 88 3.270 -11.507 -8.790 1.00 0.00 C ATOM 1373 C VAL A 88 3.358 -12.458 -9.963 1.00 0.00 C ATOM 1374 O VAL A 88 2.417 -12.590 -10.764 1.00 0.00 O ATOM 1375 CB VAL A 88 2.674 -12.190 -7.539 1.00 0.00 C ATOM 1376 CG1 VAL A 88 2.848 -11.321 -6.308 1.00 0.00 C ATOM 1377 CG2 VAL A 88 1.223 -12.486 -7.744 1.00 0.00 C ATOM 0 H VAL A 88 1.554 -10.494 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 88 4.283 -11.206 -8.524 1.00 0.00 H new ATOM 0 HB VAL A 88 3.212 -13.125 -7.384 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.419 -11.826 -5.442 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.909 -11.143 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.340 -10.369 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.820 -12.967 -6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.685 -11.557 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.105 -13.151 -8.600 1.00 0.00 H new ATOM 1387 N VAL A 89 4.487 -13.069 -10.079 1.00 0.00 N ATOM 1388 CA VAL A 89 4.773 -13.987 -11.143 1.00 0.00 C ATOM 1389 C VAL A 89 4.546 -15.354 -10.614 1.00 0.00 C ATOM 1390 O VAL A 89 5.240 -15.773 -9.678 1.00 0.00 O ATOM 1391 CB VAL A 89 6.247 -13.928 -11.598 1.00 0.00 C ATOM 1392 CG1 VAL A 89 6.446 -14.647 -12.930 1.00 0.00 C ATOM 1393 CG2 VAL A 89 6.781 -12.509 -11.630 1.00 0.00 C ATOM 0 H VAL A 89 5.259 -12.945 -9.424 1.00 0.00 H new ATOM 0 HA VAL A 89 4.138 -13.730 -11.991 1.00 0.00 H new ATOM 0 HB VAL A 89 6.836 -14.460 -10.851 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.494 -14.587 -13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.157 -15.693 -12.826 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.829 -14.175 -13.694 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.821 -12.519 -11.956 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.189 -11.913 -12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.717 -12.074 -10.633 1.00 0.00 H new ATOM 1403 N PHE A 90 3.606 -16.045 -11.170 1.00 0.00 N ATOM 1404 CA PHE A 90 3.317 -17.381 -10.736 1.00 0.00 C ATOM 1405 C PHE A 90 4.435 -18.273 -11.222 1.00 0.00 C ATOM 1406 O PHE A 90 5.140 -17.912 -12.171 1.00 0.00 O ATOM 1407 CB PHE A 90 1.994 -17.879 -11.344 1.00 0.00 C ATOM 1408 CG PHE A 90 0.843 -16.922 -11.215 1.00 0.00 C ATOM 1409 CD1 PHE A 90 0.488 -16.400 -9.990 1.00 0.00 C ATOM 1410 CD2 PHE A 90 0.128 -16.535 -12.333 1.00 0.00 C ATOM 1411 CE1 PHE A 90 -0.560 -15.513 -9.880 1.00 0.00 C ATOM 1412 CE2 PHE A 90 -0.920 -15.649 -12.228 1.00 0.00 C ATOM 1413 CZ PHE A 90 -1.263 -15.137 -10.999 1.00 0.00 C ATOM 0 H PHE A 90 3.018 -15.707 -11.932 1.00 0.00 H new ATOM 0 HA PHE A 90 3.230 -17.400 -9.650 1.00 0.00 H new ATOM 0 HB2 PHE A 90 2.154 -18.093 -12.401 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.722 -18.820 -10.866 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.038 -16.690 -9.107 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.395 -16.933 -13.301 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.829 -15.113 -8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.472 -15.357 -13.109 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.084 -14.440 -10.913 1.00 0.00 H new ATOM 1423 N ASP A 91 4.586 -19.430 -10.608 1.00 0.00 N ATOM 1424 CA ASP A 91 5.563 -20.450 -11.063 1.00 0.00 C ATOM 1425 C ASP A 91 5.305 -20.849 -12.524 1.00 0.00 C ATOM 1426 O ASP A 91 6.191 -21.328 -13.231 1.00 0.00 O ATOM 1427 CB ASP A 91 5.509 -21.674 -10.148 1.00 0.00 C ATOM 1428 CG ASP A 91 6.217 -22.889 -10.710 1.00 0.00 C ATOM 1429 OD1 ASP A 91 7.462 -22.885 -10.833 1.00 0.00 O ATOM 1430 OD2 ASP A 91 5.524 -23.881 -11.025 1.00 0.00 O ATOM 0 H ASP A 91 4.050 -19.706 -9.786 1.00 0.00 H new ATOM 0 HA ASP A 91 6.562 -20.018 -11.010 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.955 -21.418 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.466 -21.928 -9.958 1.00 0.00 H new ATOM 1435 N ASP A 92 4.096 -20.592 -12.965 1.00 0.00 N ATOM 1436 CA ASP A 92 3.670 -20.844 -14.332 1.00 0.00 C ATOM 1437 C ASP A 92 4.398 -19.900 -15.322 1.00 0.00 C ATOM 1438 O ASP A 92 4.441 -20.148 -16.517 1.00 0.00 O ATOM 1439 CB ASP A 92 2.151 -20.672 -14.427 1.00 0.00 C ATOM 1440 CG ASP A 92 1.586 -21.048 -15.774 1.00 0.00 C ATOM 1441 OD1 ASP A 92 1.393 -22.263 -16.035 1.00 0.00 O ATOM 1442 OD2 ASP A 92 1.299 -20.152 -16.580 1.00 0.00 O ATOM 0 H ASP A 92 3.363 -20.194 -12.377 1.00 0.00 H new ATOM 0 HA ASP A 92 3.932 -21.866 -14.605 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.675 -21.282 -13.659 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.897 -19.634 -14.212 1.00 0.00 H new ATOM 1447 N GLY A 93 4.990 -18.826 -14.793 1.00 0.00 N ATOM 1448 CA GLY A 93 5.750 -17.887 -15.615 1.00 0.00 C ATOM 1449 C GLY A 93 4.950 -16.656 -15.972 1.00 0.00 C ATOM 1450 O GLY A 93 5.476 -15.681 -16.531 1.00 0.00 O ATOM 0 H GLY A 93 4.957 -18.587 -13.802 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.652 -17.588 -15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.071 -18.386 -16.529 1.00 0.00 H new ATOM 1454 N ASP A 94 3.700 -16.684 -15.625 1.00 0.00 N ATOM 1455 CA ASP A 94 2.787 -15.609 -15.951 1.00 0.00 C ATOM 1456 C ASP A 94 2.683 -14.692 -14.765 1.00 0.00 C ATOM 1457 O ASP A 94 2.689 -15.148 -13.622 1.00 0.00 O ATOM 1458 CB ASP A 94 1.417 -16.166 -16.344 1.00 0.00 C ATOM 1459 CG ASP A 94 0.448 -15.114 -16.847 1.00 0.00 C ATOM 1460 OD1 ASP A 94 0.657 -14.575 -17.954 1.00 0.00 O ATOM 1461 OD2 ASP A 94 -0.555 -14.844 -16.175 1.00 0.00 O ATOM 0 H ASP A 94 3.274 -17.451 -15.106 1.00 0.00 H new ATOM 0 HA ASP A 94 3.164 -15.048 -16.806 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.551 -16.922 -17.118 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.978 -16.667 -15.481 1.00 0.00 H new ATOM 1466 N GLU A 95 2.615 -13.431 -15.018 1.00 0.00 N ATOM 1467 CA GLU A 95 2.607 -12.450 -13.986 1.00 0.00 C ATOM 1468 C GLU A 95 1.309 -11.677 -14.017 1.00 0.00 C ATOM 1469 O GLU A 95 0.891 -11.182 -15.075 1.00 0.00 O ATOM 1470 CB GLU A 95 3.827 -11.544 -14.164 1.00 0.00 C ATOM 1471 CG GLU A 95 3.945 -10.949 -15.564 1.00 0.00 C ATOM 1472 CD GLU A 95 5.212 -10.190 -15.771 1.00 0.00 C ATOM 1473 OE1 GLU A 95 5.257 -8.995 -15.467 1.00 0.00 O ATOM 1474 OE2 GLU A 95 6.194 -10.780 -16.250 1.00 0.00 O ATOM 0 H GLU A 95 2.563 -13.045 -15.961 1.00 0.00 H new ATOM 0 HA GLU A 95 2.671 -12.922 -13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.777 -10.734 -13.437 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.729 -12.115 -13.943 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.884 -11.751 -16.300 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.098 -10.287 -15.744 1.00 0.00 H new ATOM 1481 N ARG A 96 0.660 -11.595 -12.885 1.00 0.00 N ATOM 1482 CA ARG A 96 -0.609 -10.902 -12.770 1.00 0.00 C ATOM 1483 C ARG A 96 -0.609 -10.067 -11.524 1.00 0.00 C ATOM 1484 O ARG A 96 0.027 -10.419 -10.531 1.00 0.00 O ATOM 1485 CB ARG A 96 -1.799 -11.886 -12.746 1.00 0.00 C ATOM 1486 CG ARG A 96 -1.934 -12.739 -13.999 1.00 0.00 C ATOM 1487 CD ARG A 96 -2.219 -11.895 -15.227 1.00 0.00 C ATOM 1488 NE ARG A 96 -2.074 -12.673 -16.453 1.00 0.00 N ATOM 1489 CZ ARG A 96 -2.526 -12.311 -17.654 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -3.222 -11.178 -17.801 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -2.274 -13.078 -18.708 1.00 0.00 N ATOM 0 H ARG A 96 0.992 -12.005 -12.012 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.728 -10.264 -13.646 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.694 -12.544 -11.883 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.720 -11.320 -12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.016 -13.307 -14.153 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.737 -13.463 -13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.230 -11.493 -15.167 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.538 -11.044 -15.252 1.00 0.00 H new ATOM 0 HE ARG A 96 -1.587 -13.567 -16.386 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.409 -10.586 -16.992 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.565 -10.906 -18.722 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.738 -13.938 -18.596 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.617 -12.807 -19.630 1.00 0.00 H new ATOM 1505 N THR A 97 -1.286 -8.963 -11.579 1.00 0.00 N ATOM 1506 CA THR A 97 -1.374 -8.084 -10.473 1.00 0.00 C ATOM 1507 C THR A 97 -2.689 -8.295 -9.736 1.00 0.00 C ATOM 1508 O THR A 97 -3.772 -7.970 -10.252 1.00 0.00 O ATOM 1509 CB THR A 97 -1.255 -6.627 -10.945 1.00 0.00 C ATOM 1510 OG1 THR A 97 -0.113 -6.509 -11.813 1.00 0.00 O ATOM 1511 CG2 THR A 97 -1.060 -5.701 -9.769 1.00 0.00 C ATOM 0 H THR A 97 -1.796 -8.650 -12.405 1.00 0.00 H new ATOM 0 HA THR A 97 -0.553 -8.298 -9.788 1.00 0.00 H new ATOM 0 HB THR A 97 -2.171 -6.353 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.680 -6.289 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.978 -4.674 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 97 -1.912 -5.785 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.149 -5.975 -9.237 1.00 0.00 H new ATOM 1519 N LEU A 98 -2.594 -8.891 -8.586 1.00 0.00 N ATOM 1520 CA LEU A 98 -3.726 -9.079 -7.716 1.00 0.00 C ATOM 1521 C LEU A 98 -3.532 -8.224 -6.497 1.00 0.00 C ATOM 1522 O LEU A 98 -2.451 -7.628 -6.313 1.00 0.00 O ATOM 1523 CB LEU A 98 -4.006 -10.583 -7.330 1.00 0.00 C ATOM 1524 CG LEU A 98 -2.849 -11.474 -6.905 1.00 0.00 C ATOM 1525 CD1 LEU A 98 -3.412 -12.667 -6.159 1.00 0.00 C ATOM 1526 CD2 LEU A 98 -2.111 -11.973 -8.132 1.00 0.00 C ATOM 0 H LEU A 98 -1.720 -9.266 -8.217 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.618 -8.773 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.733 -10.582 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.486 -11.056 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.164 -10.911 -6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.596 -13.318 -5.846 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.959 -12.322 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.087 -13.220 -6.813 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.283 -12.611 -7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.794 -12.544 -8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.725 -11.123 -8.695 1.00 0.00 H new ATOM 1538 N ARG A 99 -4.537 -8.115 -5.689 1.00 0.00 N ATOM 1539 CA ARG A 99 -4.420 -7.330 -4.516 1.00 0.00 C ATOM 1540 C ARG A 99 -4.043 -8.219 -3.367 1.00 0.00 C ATOM 1541 O ARG A 99 -4.010 -9.449 -3.489 1.00 0.00 O ATOM 1542 CB ARG A 99 -5.692 -6.524 -4.170 1.00 0.00 C ATOM 1543 CG ARG A 99 -6.212 -5.569 -5.247 1.00 0.00 C ATOM 1544 CD ARG A 99 -7.188 -6.259 -6.200 1.00 0.00 C ATOM 1545 NE ARG A 99 -7.917 -5.291 -7.044 1.00 0.00 N ATOM 1546 CZ ARG A 99 -9.097 -5.518 -7.657 1.00 0.00 C ATOM 1547 NH1 ARG A 99 -9.856 -6.529 -7.275 1.00 0.00 N ATOM 1548 NH2 ARG A 99 -9.580 -4.631 -8.527 1.00 0.00 N ATOM 0 H ARG A 99 -5.444 -8.561 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.644 -6.589 -4.707 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.487 -7.229 -3.928 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.494 -5.945 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.707 -4.722 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.371 -5.170 -5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.642 -6.955 -6.836 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -7.902 -6.847 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.492 -4.373 -7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.550 -7.138 -6.516 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.748 -6.701 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.057 -3.779 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.472 -4.804 -8.990 1.00 0.00 H new ATOM 1562 N ARG A 100 -3.809 -7.606 -2.250 1.00 0.00 N ATOM 1563 CA ARG A 100 -3.408 -8.293 -1.044 1.00 0.00 C ATOM 1564 C ARG A 100 -4.558 -9.084 -0.411 1.00 0.00 C ATOM 1565 O ARG A 100 -4.365 -9.789 0.572 1.00 0.00 O ATOM 1566 CB ARG A 100 -2.774 -7.292 -0.076 1.00 0.00 C ATOM 1567 CG ARG A 100 -3.613 -6.048 0.175 1.00 0.00 C ATOM 1568 CD ARG A 100 -2.813 -4.974 0.883 1.00 0.00 C ATOM 1569 NE ARG A 100 -2.375 -5.411 2.195 1.00 0.00 N ATOM 1570 CZ ARG A 100 -1.161 -5.237 2.712 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -0.182 -4.612 2.021 1.00 0.00 N ATOM 1572 NH2 ARG A 100 -0.922 -5.678 3.924 1.00 0.00 N ATOM 0 H ARG A 100 -3.890 -6.595 -2.139 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.659 -9.042 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -2.591 -7.791 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.804 -6.989 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.985 -5.661 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.484 -6.310 0.776 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.945 -4.708 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.420 -4.074 0.983 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.060 -5.896 2.774 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -0.365 -4.261 1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.740 -4.491 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.660 -6.144 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.002 -5.555 4.339 1.00 0.00 H new ATOM 1586 N THR A 101 -5.737 -8.981 -1.000 1.00 0.00 N ATOM 1587 CA THR A 101 -6.886 -9.722 -0.563 1.00 0.00 C ATOM 1588 C THR A 101 -6.719 -11.199 -0.920 1.00 0.00 C ATOM 1589 O THR A 101 -6.996 -12.070 -0.106 1.00 0.00 O ATOM 1590 CB THR A 101 -8.139 -9.215 -1.286 1.00 0.00 C ATOM 1591 OG1 THR A 101 -8.112 -7.796 -1.322 1.00 0.00 O ATOM 1592 CG2 THR A 101 -9.403 -9.675 -0.566 1.00 0.00 C ATOM 0 H THR A 101 -5.915 -8.374 -1.800 1.00 0.00 H new ATOM 0 HA THR A 101 -6.985 -9.595 0.515 1.00 0.00 H new ATOM 0 HB THR A 101 -8.148 -9.620 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.022 -7.455 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.280 -9.304 -1.097 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.430 -10.764 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.404 -9.286 0.452 1.00 0.00 H new ATOM 1600 N SER A 102 -6.202 -11.468 -2.121 1.00 0.00 N ATOM 1601 CA SER A 102 -6.157 -12.828 -2.619 1.00 0.00 C ATOM 1602 C SER A 102 -4.719 -13.329 -2.649 1.00 0.00 C ATOM 1603 O SER A 102 -4.376 -14.306 -3.353 1.00 0.00 O ATOM 1604 CB SER A 102 -6.836 -12.870 -4.006 1.00 0.00 C ATOM 1605 OG SER A 102 -7.155 -14.191 -4.425 1.00 0.00 O ATOM 0 H SER A 102 -5.816 -10.767 -2.753 1.00 0.00 H new ATOM 0 HA SER A 102 -6.703 -13.500 -1.957 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.748 -12.273 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.177 -12.410 -4.742 1.00 0.00 H new ATOM 0 HG SER A 102 -6.671 -14.398 -5.251 1.00 0.00 H new ATOM 1611 N LEU A 103 -3.905 -12.703 -1.840 1.00 0.00 N ATOM 1612 CA LEU A 103 -2.529 -13.016 -1.753 1.00 0.00 C ATOM 1613 C LEU A 103 -2.257 -13.620 -0.381 1.00 0.00 C ATOM 1614 O LEU A 103 -2.842 -13.176 0.618 1.00 0.00 O ATOM 1615 CB LEU A 103 -1.752 -11.734 -1.924 1.00 0.00 C ATOM 1616 CG LEU A 103 -0.373 -11.876 -2.487 1.00 0.00 C ATOM 1617 CD1 LEU A 103 -0.472 -12.460 -3.880 1.00 0.00 C ATOM 1618 CD2 LEU A 103 0.304 -10.533 -2.523 1.00 0.00 C ATOM 0 H LEU A 103 -4.199 -11.950 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.233 -13.730 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.322 -11.070 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.679 -11.244 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 103 0.220 -12.541 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.528 -12.568 -4.301 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.953 -13.437 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.062 -11.796 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.308 -10.642 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.272 -9.852 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.368 -10.130 -1.512 1.00 0.00 H new ATOM 1630 N CYS A 104 -1.385 -14.597 -0.306 1.00 0.00 N ATOM 1631 CA CYS A 104 -1.130 -15.242 0.946 1.00 0.00 C ATOM 1632 C CYS A 104 0.017 -14.559 1.664 1.00 0.00 C ATOM 1633 O CYS A 104 1.181 -14.917 1.507 1.00 0.00 O ATOM 1634 CB CYS A 104 -0.871 -16.742 0.774 1.00 0.00 C ATOM 1635 SG CYS A 104 -0.910 -17.688 2.314 1.00 0.00 S ATOM 0 H CYS A 104 -0.847 -14.956 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 104 -2.025 -15.149 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -1.616 -17.151 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 104 0.102 -16.879 0.302 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.682 -18.942 2.059 1.00 0.00 H new