USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 19 GLN : amide:sc= -5! C(o=-5.7!,f=-9.3!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -133:sc= -0.72 (180deg=-1.14) USER MOD Single : A 1 MET CE :methyl -98:sc= -0.304 (180deg=-1.49) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0332 (180deg=-0.236) USER MOD Single : A 6 TYR OH : rot -5:sc= 1.27 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 14 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 15 SER OG : rot -140:sc= -2.26 USER MOD Single : A 24 LYS NZ :NH3+ 141:sc= -1.02 (180deg=-3.46!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -90:sc= -0.371 USER MOD Single : A 37 LYS NZ :NH3+ -124:sc= -0.323 (180deg=-1.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= -0.971 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -136:sc= -0.889 (180deg=-3.79!) USER MOD Single : A 78 GLN : amide:sc= -3.55! C(o=-3.6!,f=-7.6!) USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -1.78! (180deg=-3.01!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 57:sc= 1.27 USER MOD Single : A 99 THR OG1 : rot -65:sc= 0.107 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.893 15.041 5.653 1.00 0.00 N ATOM 2 CA MET A 1 -2.549 13.626 5.348 1.00 0.00 C ATOM 3 C MET A 1 -3.563 12.698 6.020 1.00 0.00 C ATOM 4 O MET A 1 -4.029 12.961 7.113 1.00 0.00 O ATOM 5 CB MET A 1 -1.145 13.314 5.874 1.00 0.00 C ATOM 6 CG MET A 1 -0.742 11.897 5.461 1.00 0.00 C ATOM 7 SD MET A 1 1.037 11.674 5.717 1.00 0.00 S ATOM 8 CE MET A 1 0.924 10.350 6.944 1.00 0.00 C ATOM 0 H1 MET A 1 -2.033 15.554 5.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.303 15.488 4.808 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.583 15.071 6.430 1.00 0.00 H new ATOM 0 HA MET A 1 -2.574 13.472 4.269 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.430 14.035 5.479 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.124 13.406 6.960 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.299 11.165 6.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.993 11.727 4.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.023 10.771 7.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.042 9.852 6.854 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.722 9.627 6.774 1.00 0.00 H new ATOM 18 N ARG A 2 -3.902 11.612 5.373 1.00 0.00 N ATOM 19 CA ARG A 2 -4.882 10.657 5.964 1.00 0.00 C ATOM 20 C ARG A 2 -4.304 9.240 5.912 1.00 0.00 C ATOM 21 O ARG A 2 -3.454 8.940 5.096 1.00 0.00 O ATOM 22 CB ARG A 2 -6.186 10.705 5.165 1.00 0.00 C ATOM 23 CG ARG A 2 -7.143 11.716 5.804 1.00 0.00 C ATOM 24 CD ARG A 2 -6.657 13.137 5.509 1.00 0.00 C ATOM 25 NE ARG A 2 -7.836 14.037 5.315 1.00 0.00 N ATOM 26 CZ ARG A 2 -7.688 15.336 5.143 1.00 0.00 C ATOM 27 NH1 ARG A 2 -6.501 15.898 5.133 1.00 0.00 N ATOM 28 NH2 ARG A 2 -8.745 16.082 4.978 1.00 0.00 N ATOM 0 H ARG A 2 -3.540 11.346 4.457 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.081 10.932 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.981 10.986 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.647 9.717 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.151 11.576 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.194 11.554 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.040 13.500 6.331 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.032 13.141 4.616 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.774 13.637 5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.665 15.327 5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.415 16.905 4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -9.673 15.659 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.643 17.088 4.844 1.00 0.00 H new ATOM 42 N LEU A 3 -4.762 8.372 6.777 1.00 0.00 N ATOM 43 CA LEU A 3 -4.243 6.973 6.785 1.00 0.00 C ATOM 44 C LEU A 3 -5.284 6.038 6.166 1.00 0.00 C ATOM 45 O LEU A 3 -6.141 5.507 6.851 1.00 0.00 O ATOM 46 CB LEU A 3 -3.963 6.542 8.227 1.00 0.00 C ATOM 47 CG LEU A 3 -2.841 7.404 8.808 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.446 8.593 9.556 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.006 6.565 9.778 1.00 0.00 C ATOM 0 H LEU A 3 -5.474 8.573 7.479 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.321 6.924 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -4.865 6.645 8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -3.679 5.490 8.255 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.206 7.768 8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.646 9.207 9.970 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.043 9.191 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.080 8.230 10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.206 7.178 10.193 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.642 6.203 10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.575 5.716 9.247 1.00 0.00 H new ATOM 61 N PHE A 4 -5.211 5.830 4.875 1.00 0.00 N ATOM 62 CA PHE A 4 -6.189 4.927 4.198 1.00 0.00 C ATOM 63 C PHE A 4 -5.681 3.486 4.274 1.00 0.00 C ATOM 64 O PHE A 4 -4.494 3.246 4.393 1.00 0.00 O ATOM 65 CB PHE A 4 -6.333 5.337 2.731 1.00 0.00 C ATOM 66 CG PHE A 4 -7.252 6.532 2.627 1.00 0.00 C ATOM 67 CD1 PHE A 4 -6.773 7.812 2.928 1.00 0.00 C ATOM 68 CD2 PHE A 4 -8.581 6.359 2.223 1.00 0.00 C ATOM 69 CE1 PHE A 4 -7.623 8.918 2.828 1.00 0.00 C ATOM 70 CE2 PHE A 4 -9.432 7.467 2.123 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.952 8.746 2.425 1.00 0.00 C ATOM 0 H PHE A 4 -4.513 6.249 4.260 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.157 5.002 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.356 5.579 2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.732 4.507 2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.747 7.946 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.950 5.371 1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.254 9.905 3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -10.458 7.334 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.607 9.601 2.347 1.00 0.00 H new ATOM 81 N GLY A 5 -6.570 2.526 4.208 1.00 0.00 N ATOM 82 CA GLY A 5 -6.139 1.099 4.277 1.00 0.00 C ATOM 83 C GLY A 5 -6.927 0.266 3.265 1.00 0.00 C ATOM 84 O GLY A 5 -8.141 0.197 3.314 1.00 0.00 O ATOM 0 H GLY A 5 -7.575 2.671 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.071 1.022 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.298 0.711 5.283 1.00 0.00 H new ATOM 88 N TYR A 6 -6.240 -0.371 2.352 1.00 0.00 N ATOM 89 CA TYR A 6 -6.930 -1.211 1.330 1.00 0.00 C ATOM 90 C TYR A 6 -7.151 -2.615 1.903 1.00 0.00 C ATOM 91 O TYR A 6 -6.256 -3.208 2.471 1.00 0.00 O ATOM 92 CB TYR A 6 -6.052 -1.289 0.075 1.00 0.00 C ATOM 93 CG TYR A 6 -6.759 -2.071 -1.008 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.047 -1.701 -1.415 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.124 -3.165 -1.607 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.699 -2.426 -2.420 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.774 -3.890 -2.612 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.062 -3.521 -3.019 1.00 0.00 C ATOM 99 OH TYR A 6 -8.703 -4.236 -4.009 1.00 0.00 O ATOM 0 H TYR A 6 -5.224 -0.344 2.271 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.894 -0.774 1.070 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.824 -0.284 -0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.102 -1.765 0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.537 -0.857 -0.954 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.131 -3.450 -1.293 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.693 -2.141 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.283 -4.734 -3.074 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.618 -3.900 -4.115 1.00 0.00 H new ATOM 109 N ALA A 7 -8.342 -3.144 1.760 1.00 0.00 N ATOM 110 CA ALA A 7 -8.628 -4.507 2.302 1.00 0.00 C ATOM 111 C ALA A 7 -9.372 -5.341 1.256 1.00 0.00 C ATOM 112 O ALA A 7 -9.693 -4.869 0.180 1.00 0.00 O ATOM 113 CB ALA A 7 -9.491 -4.380 3.562 1.00 0.00 C ATOM 0 H ALA A 7 -9.127 -2.691 1.292 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.688 -5.000 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.702 -5.373 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.958 -3.794 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.428 -3.883 3.312 1.00 0.00 H new ATOM 119 N ARG A 8 -9.647 -6.581 1.570 1.00 0.00 N ATOM 120 CA ARG A 8 -10.371 -7.468 0.614 1.00 0.00 C ATOM 121 C ARG A 8 -10.639 -8.814 1.293 1.00 0.00 C ATOM 122 O ARG A 8 -9.722 -9.527 1.654 1.00 0.00 O ATOM 123 CB ARG A 8 -9.514 -7.684 -0.635 1.00 0.00 C ATOM 124 CG ARG A 8 -10.310 -8.484 -1.671 1.00 0.00 C ATOM 125 CD ARG A 8 -9.977 -7.976 -3.076 1.00 0.00 C ATOM 126 NE ARG A 8 -8.522 -8.190 -3.353 1.00 0.00 N ATOM 127 CZ ARG A 8 -7.992 -7.887 -4.522 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.717 -7.386 -5.497 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.718 -8.090 -4.717 1.00 0.00 N ATOM 0 H ARG A 8 -9.398 -7.020 2.457 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.315 -7.007 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.215 -6.723 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.600 -8.216 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.070 -9.544 -1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.379 -8.384 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.580 -8.501 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.222 -6.917 -3.159 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.927 -8.579 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.714 -7.223 -5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.282 -7.160 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.143 -8.479 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.297 -7.860 -5.617 1.00 0.00 H new ATOM 143 N VAL A 9 -11.890 -9.159 1.477 1.00 0.00 N ATOM 144 CA VAL A 9 -12.222 -10.452 2.145 1.00 0.00 C ATOM 145 C VAL A 9 -11.678 -11.621 1.319 1.00 0.00 C ATOM 146 O VAL A 9 -11.458 -11.503 0.128 1.00 0.00 O ATOM 147 CB VAL A 9 -13.746 -10.584 2.291 1.00 0.00 C ATOM 148 CG1 VAL A 9 -14.277 -9.407 3.113 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.417 -10.591 0.910 1.00 0.00 C ATOM 0 H VAL A 9 -12.694 -8.600 1.193 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.763 -10.471 3.133 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.975 -11.522 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -15.358 -9.496 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.813 -9.414 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.038 -8.472 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.496 -10.685 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.190 -9.660 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.042 -11.433 0.328 1.00 0.00 H new ATOM 159 N SER A 10 -11.466 -12.746 1.950 1.00 0.00 N ATOM 160 CA SER A 10 -10.942 -13.933 1.217 1.00 0.00 C ATOM 161 C SER A 10 -11.413 -15.215 1.922 1.00 0.00 C ATOM 162 O SER A 10 -10.797 -16.257 1.799 1.00 0.00 O ATOM 163 CB SER A 10 -9.410 -13.879 1.195 1.00 0.00 C ATOM 164 OG SER A 10 -8.964 -13.800 -0.153 1.00 0.00 O ATOM 0 H SER A 10 -11.634 -12.893 2.945 1.00 0.00 H new ATOM 0 HA SER A 10 -11.315 -13.930 0.193 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.057 -13.016 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.996 -14.765 1.676 1.00 0.00 H new ATOM 0 HG SER A 10 -7.985 -13.764 -0.172 1.00 0.00 H new ATOM 170 N THR A 11 -12.500 -15.145 2.656 1.00 0.00 N ATOM 171 CA THR A 11 -13.013 -16.356 3.365 1.00 0.00 C ATOM 172 C THR A 11 -14.533 -16.244 3.525 1.00 0.00 C ATOM 173 O THR A 11 -15.132 -15.252 3.152 1.00 0.00 O ATOM 174 CB THR A 11 -12.348 -16.477 4.745 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.012 -17.480 5.499 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.428 -15.142 5.490 1.00 0.00 C ATOM 0 H THR A 11 -13.053 -14.299 2.793 1.00 0.00 H new ATOM 0 HA THR A 11 -12.775 -17.245 2.782 1.00 0.00 H new ATOM 0 HB THR A 11 -11.300 -16.746 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.589 -17.561 6.379 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.953 -15.241 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.915 -14.372 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.473 -14.861 5.621 1.00 0.00 H new ATOM 184 N SER A 12 -15.161 -17.259 4.065 1.00 0.00 N ATOM 185 CA SER A 12 -16.646 -17.225 4.236 1.00 0.00 C ATOM 186 C SER A 12 -17.010 -16.578 5.566 1.00 0.00 C ATOM 187 O SER A 12 -17.793 -15.648 5.618 1.00 0.00 O ATOM 188 CB SER A 12 -17.196 -18.651 4.199 1.00 0.00 C ATOM 189 OG SER A 12 -16.782 -19.281 2.992 1.00 0.00 O ATOM 0 H SER A 12 -14.708 -18.111 4.395 1.00 0.00 H new ATOM 0 HA SER A 12 -17.081 -16.640 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.836 -19.215 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.284 -18.636 4.261 1.00 0.00 H new ATOM 0 HG SER A 12 -17.131 -20.196 2.964 1.00 0.00 H new ATOM 195 N GLN A 13 -16.458 -17.068 6.633 1.00 0.00 N ATOM 196 CA GLN A 13 -16.768 -16.502 7.970 1.00 0.00 C ATOM 197 C GLN A 13 -16.324 -15.032 8.034 1.00 0.00 C ATOM 198 O GLN A 13 -16.158 -14.385 7.017 1.00 0.00 O ATOM 199 CB GLN A 13 -16.043 -17.341 9.021 1.00 0.00 C ATOM 200 CG GLN A 13 -14.522 -17.213 8.850 1.00 0.00 C ATOM 201 CD GLN A 13 -13.819 -17.927 10.007 1.00 0.00 C ATOM 202 OE1 GLN A 13 -14.219 -19.004 10.404 1.00 0.00 O ATOM 203 NE2 GLN A 13 -12.780 -17.370 10.568 1.00 0.00 N ATOM 0 H GLN A 13 -15.798 -17.845 6.637 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.841 -16.531 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.332 -17.014 10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.339 -18.386 8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.214 -17.647 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.234 -16.162 8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.444 -16.466 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.304 -17.839 11.339 1.00 0.00 H new ATOM 212 N GLN A 14 -16.128 -14.502 9.221 1.00 0.00 N ATOM 213 CA GLN A 14 -15.690 -13.073 9.360 1.00 0.00 C ATOM 214 C GLN A 14 -14.451 -12.825 8.500 1.00 0.00 C ATOM 215 O GLN A 14 -13.410 -13.409 8.719 1.00 0.00 O ATOM 216 CB GLN A 14 -15.356 -12.788 10.826 1.00 0.00 C ATOM 217 CG GLN A 14 -15.126 -11.287 11.017 1.00 0.00 C ATOM 218 CD GLN A 14 -16.414 -10.632 11.521 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.258 -10.242 10.737 1.00 0.00 O ATOM 220 NE2 GLN A 14 -16.604 -10.494 12.804 1.00 0.00 N ATOM 0 H GLN A 14 -16.253 -15.000 10.103 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.494 -12.415 9.030 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.170 -13.126 11.467 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.466 -13.343 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.318 -11.120 11.729 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.819 -10.833 10.075 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.897 -10.821 13.462 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.460 -10.059 13.149 1.00 0.00 H new ATOM 229 N SER A 15 -14.570 -11.977 7.516 1.00 0.00 N ATOM 230 CA SER A 15 -13.412 -11.688 6.624 1.00 0.00 C ATOM 231 C SER A 15 -13.103 -10.192 6.657 1.00 0.00 C ATOM 232 O SER A 15 -12.037 -9.775 7.064 1.00 0.00 O ATOM 233 CB SER A 15 -13.767 -12.102 5.198 1.00 0.00 C ATOM 234 OG SER A 15 -14.967 -11.451 4.809 1.00 0.00 O ATOM 0 H SER A 15 -15.425 -11.469 7.290 1.00 0.00 H new ATOM 0 HA SER A 15 -12.538 -12.244 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.958 -11.837 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.890 -13.183 5.140 1.00 0.00 H new ATOM 0 HG SER A 15 -15.525 -12.073 4.297 1.00 0.00 H new ATOM 240 N LEU A 16 -14.037 -9.383 6.223 1.00 0.00 N ATOM 241 CA LEU A 16 -13.837 -7.898 6.202 1.00 0.00 C ATOM 242 C LEU A 16 -13.331 -7.410 7.577 1.00 0.00 C ATOM 243 O LEU A 16 -12.512 -6.513 7.659 1.00 0.00 O ATOM 244 CB LEU A 16 -15.190 -7.243 5.824 1.00 0.00 C ATOM 245 CG LEU A 16 -15.293 -5.797 6.326 1.00 0.00 C ATOM 246 CD1 LEU A 16 -16.201 -4.997 5.392 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.889 -5.797 7.735 1.00 0.00 C ATOM 0 H LEU A 16 -14.945 -9.693 5.876 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.082 -7.617 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.310 -7.259 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -16.006 -7.831 6.244 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.302 -5.344 6.345 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.275 -3.969 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.783 -5.003 4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.194 -5.447 5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.965 -4.772 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.881 -6.248 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.246 -6.371 8.402 1.00 0.00 H new ATOM 259 N ASP A 17 -13.815 -7.990 8.644 1.00 0.00 N ATOM 260 CA ASP A 17 -13.368 -7.559 10.004 1.00 0.00 C ATOM 261 C ASP A 17 -11.861 -7.798 10.149 1.00 0.00 C ATOM 262 O ASP A 17 -11.127 -6.939 10.595 1.00 0.00 O ATOM 263 CB ASP A 17 -14.119 -8.372 11.062 1.00 0.00 C ATOM 264 CG ASP A 17 -14.444 -7.479 12.260 1.00 0.00 C ATOM 265 OD1 ASP A 17 -13.584 -7.324 13.110 1.00 0.00 O ATOM 266 OD2 ASP A 17 -15.550 -6.965 12.308 1.00 0.00 O ATOM 0 H ASP A 17 -14.501 -8.744 8.633 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.579 -6.498 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.038 -8.778 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.513 -9.220 11.381 1.00 0.00 H new ATOM 271 N ILE A 18 -11.406 -8.964 9.776 1.00 0.00 N ATOM 272 CA ILE A 18 -9.954 -9.290 9.886 1.00 0.00 C ATOM 273 C ILE A 18 -9.127 -8.300 9.050 1.00 0.00 C ATOM 274 O ILE A 18 -8.000 -7.991 9.391 1.00 0.00 O ATOM 275 CB ILE A 18 -9.741 -10.736 9.394 1.00 0.00 C ATOM 276 CG1 ILE A 18 -10.348 -11.704 10.414 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.246 -11.049 9.235 1.00 0.00 C ATOM 278 CD1 ILE A 18 -10.937 -12.912 9.686 1.00 0.00 C ATOM 0 H ILE A 18 -11.985 -9.713 9.396 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.626 -9.207 10.922 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.224 -10.848 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.585 -12.029 11.121 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.124 -11.201 10.991 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.124 -12.075 8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.806 -10.365 8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.745 -10.930 10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.369 -13.600 10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.713 -12.579 8.997 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.150 -13.420 9.128 1.00 0.00 H new ATOM 290 N GLN A 19 -9.669 -7.805 7.966 1.00 0.00 N ATOM 291 CA GLN A 19 -8.895 -6.841 7.123 1.00 0.00 C ATOM 292 C GLN A 19 -8.866 -5.482 7.816 1.00 0.00 C ATOM 293 O GLN A 19 -7.811 -4.932 8.056 1.00 0.00 O ATOM 294 CB GLN A 19 -9.517 -6.691 5.720 1.00 0.00 C ATOM 295 CG GLN A 19 -10.088 -8.027 5.213 1.00 0.00 C ATOM 296 CD GLN A 19 -9.020 -9.122 5.279 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.995 -9.027 4.635 1.00 0.00 O ATOM 298 NE2 GLN A 19 -9.220 -10.162 6.042 1.00 0.00 N ATOM 0 H GLN A 19 -10.607 -8.024 7.629 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.883 -7.227 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.309 -5.943 5.750 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.762 -6.328 5.023 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.950 -8.314 5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.439 -7.914 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.082 -10.240 6.582 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.515 -10.897 6.098 1.00 0.00 H new ATOM 307 N VAL A 20 -10.015 -4.943 8.156 1.00 0.00 N ATOM 308 CA VAL A 20 -10.059 -3.615 8.854 1.00 0.00 C ATOM 309 C VAL A 20 -9.122 -3.648 10.070 1.00 0.00 C ATOM 310 O VAL A 20 -8.301 -2.771 10.257 1.00 0.00 O ATOM 311 CB VAL A 20 -11.493 -3.331 9.309 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.559 -1.970 10.008 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.421 -3.320 8.091 1.00 0.00 C ATOM 0 H VAL A 20 -10.926 -5.366 7.980 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.735 -2.828 8.173 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.808 -4.108 10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.582 -1.775 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.901 -1.975 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.241 -1.190 9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.442 -3.118 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.100 -2.544 7.396 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.382 -4.290 7.595 1.00 0.00 H new ATOM 323 N ARG A 21 -9.225 -4.676 10.874 1.00 0.00 N ATOM 324 CA ARG A 21 -8.327 -4.802 12.062 1.00 0.00 C ATOM 325 C ARG A 21 -6.881 -4.860 11.565 1.00 0.00 C ATOM 326 O ARG A 21 -5.974 -4.351 12.192 1.00 0.00 O ATOM 327 CB ARG A 21 -8.651 -6.091 12.828 1.00 0.00 C ATOM 328 CG ARG A 21 -10.162 -6.187 13.090 1.00 0.00 C ATOM 329 CD ARG A 21 -10.441 -6.077 14.593 1.00 0.00 C ATOM 330 NE ARG A 21 -10.569 -4.636 14.974 1.00 0.00 N ATOM 331 CZ ARG A 21 -11.065 -4.276 16.142 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.468 -5.165 17.021 1.00 0.00 N ATOM 333 NH2 ARG A 21 -11.159 -3.007 16.430 1.00 0.00 N ATOM 0 H ARG A 21 -9.895 -5.436 10.758 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.470 -3.951 12.727 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.318 -6.957 12.255 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.109 -6.107 13.773 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.683 -5.393 12.556 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.546 -7.133 12.709 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.357 -6.613 14.844 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.634 -6.543 15.158 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.266 -3.917 14.317 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.401 -6.160 16.807 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.848 -4.860 17.917 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.851 -2.307 15.755 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.541 -2.715 17.330 1.00 0.00 H new ATOM 347 N ALA A 22 -6.674 -5.466 10.421 1.00 0.00 N ATOM 348 CA ALA A 22 -5.303 -5.551 9.849 1.00 0.00 C ATOM 349 C ALA A 22 -4.839 -4.137 9.488 1.00 0.00 C ATOM 350 O ALA A 22 -3.707 -3.761 9.737 1.00 0.00 O ATOM 351 CB ALA A 22 -5.330 -6.433 8.592 1.00 0.00 C ATOM 0 H ALA A 22 -7.403 -5.906 9.859 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.616 -5.990 10.573 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.327 -6.497 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.677 -7.432 8.856 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.005 -5.997 7.856 1.00 0.00 H new ATOM 357 N LEU A 23 -5.716 -3.347 8.920 1.00 0.00 N ATOM 358 CA LEU A 23 -5.345 -1.949 8.555 1.00 0.00 C ATOM 359 C LEU A 23 -5.179 -1.136 9.838 1.00 0.00 C ATOM 360 O LEU A 23 -4.240 -0.376 9.987 1.00 0.00 O ATOM 361 CB LEU A 23 -6.446 -1.313 7.694 1.00 0.00 C ATOM 362 CG LEU A 23 -6.818 -2.238 6.528 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.924 -1.588 5.696 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.598 -2.478 5.639 1.00 0.00 C ATOM 0 H LEU A 23 -6.674 -3.612 8.694 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.415 -1.959 7.987 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.327 -1.117 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.105 -0.352 7.309 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.165 -3.191 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.189 -2.244 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.801 -1.422 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.572 -0.634 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.872 -3.136 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.244 -1.527 5.242 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.806 -2.943 6.226 1.00 0.00 H new ATOM 376 N LYS A 24 -6.086 -1.298 10.771 1.00 0.00 N ATOM 377 CA LYS A 24 -5.992 -0.543 12.056 1.00 0.00 C ATOM 378 C LYS A 24 -4.720 -0.968 12.790 1.00 0.00 C ATOM 379 O LYS A 24 -4.042 -0.156 13.392 1.00 0.00 O ATOM 380 CB LYS A 24 -7.224 -0.852 12.921 1.00 0.00 C ATOM 381 CG LYS A 24 -7.995 0.438 13.210 1.00 0.00 C ATOM 382 CD LYS A 24 -9.025 0.675 12.105 1.00 0.00 C ATOM 383 CE LYS A 24 -10.187 -0.306 12.270 1.00 0.00 C ATOM 384 NZ LYS A 24 -10.740 -0.194 13.649 1.00 0.00 N ATOM 0 H LYS A 24 -6.889 -1.923 10.696 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.956 0.528 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.870 -1.565 12.408 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.915 -1.318 13.856 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.493 0.368 14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.306 1.281 13.267 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.392 1.700 12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.561 0.545 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.964 -0.092 11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.846 -1.325 12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.776 -0.273 13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.354 -0.957 14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.476 0.726 14.055 1.00 0.00 H new ATOM 398 N ASP A 25 -4.383 -2.233 12.729 1.00 0.00 N ATOM 399 CA ASP A 25 -3.146 -2.720 13.403 1.00 0.00 C ATOM 400 C ASP A 25 -1.947 -1.986 12.809 1.00 0.00 C ATOM 401 O ASP A 25 -1.006 -1.636 13.496 1.00 0.00 O ATOM 402 CB ASP A 25 -2.993 -4.218 13.148 1.00 0.00 C ATOM 403 CG ASP A 25 -2.158 -4.848 14.265 1.00 0.00 C ATOM 404 OD1 ASP A 25 -0.994 -4.499 14.377 1.00 0.00 O ATOM 405 OD2 ASP A 25 -2.697 -5.668 14.990 1.00 0.00 O ATOM 0 H ASP A 25 -4.916 -2.950 12.238 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.205 -2.536 14.476 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.974 -4.691 13.103 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.514 -4.386 12.184 1.00 0.00 H new ATOM 410 N ALA A 26 -1.999 -1.745 11.529 1.00 0.00 N ATOM 411 CA ALA A 26 -0.895 -1.026 10.844 1.00 0.00 C ATOM 412 C ALA A 26 -0.920 0.448 11.259 1.00 0.00 C ATOM 413 O ALA A 26 0.103 1.105 11.310 1.00 0.00 O ATOM 414 CB ALA A 26 -1.107 -1.133 9.334 1.00 0.00 C ATOM 0 H ALA A 26 -2.771 -2.020 10.922 1.00 0.00 H new ATOM 0 HA ALA A 26 0.066 -1.463 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.304 -0.609 8.816 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.105 -2.183 9.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.064 -0.683 9.068 1.00 0.00 H new ATOM 420 N GLY A 27 -2.086 0.968 11.542 1.00 0.00 N ATOM 421 CA GLY A 27 -2.201 2.403 11.944 1.00 0.00 C ATOM 422 C GLY A 27 -3.293 3.096 11.111 1.00 0.00 C ATOM 423 O GLY A 27 -3.570 4.266 11.296 1.00 0.00 O ATOM 0 H GLY A 27 -2.969 0.458 11.512 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.441 2.474 13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.246 2.908 11.799 1.00 0.00 H new ATOM 427 N VAL A 28 -3.912 2.384 10.196 1.00 0.00 N ATOM 428 CA VAL A 28 -4.976 2.982 9.355 1.00 0.00 C ATOM 429 C VAL A 28 -6.174 3.365 10.231 1.00 0.00 C ATOM 430 O VAL A 28 -6.452 2.727 11.229 1.00 0.00 O ATOM 431 CB VAL A 28 -5.396 1.939 8.313 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.495 2.499 7.416 1.00 0.00 C ATOM 433 CG2 VAL A 28 -4.186 1.567 7.454 1.00 0.00 C ATOM 0 H VAL A 28 -3.715 1.402 10.001 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.612 3.882 8.860 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.774 1.056 8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.783 1.747 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.361 2.763 8.023 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.128 3.387 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.481 0.825 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.811 2.457 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.403 1.153 8.089 1.00 0.00 H new ATOM 443 N LYS A 29 -6.886 4.396 9.855 1.00 0.00 N ATOM 444 CA LYS A 29 -8.073 4.826 10.648 1.00 0.00 C ATOM 445 C LYS A 29 -9.292 4.012 10.197 1.00 0.00 C ATOM 446 O LYS A 29 -9.453 3.727 9.025 1.00 0.00 O ATOM 447 CB LYS A 29 -8.327 6.323 10.411 1.00 0.00 C ATOM 448 CG LYS A 29 -8.041 7.109 11.695 1.00 0.00 C ATOM 449 CD LYS A 29 -7.426 8.463 11.339 1.00 0.00 C ATOM 450 CE LYS A 29 -7.843 9.504 12.381 1.00 0.00 C ATOM 451 NZ LYS A 29 -6.825 10.592 12.431 1.00 0.00 N ATOM 0 H LYS A 29 -6.694 4.961 9.028 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.895 4.658 11.710 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.691 6.685 9.603 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.360 6.481 10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.963 7.253 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.361 6.546 12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.340 8.383 11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.754 8.774 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.820 9.917 12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.939 9.036 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.108 11.300 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.901 10.191 12.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.755 11.045 11.497 1.00 0.00 H new ATOM 465 N ALA A 30 -10.145 3.634 11.117 1.00 0.00 N ATOM 466 CA ALA A 30 -11.350 2.834 10.742 1.00 0.00 C ATOM 467 C ALA A 30 -12.236 3.659 9.806 1.00 0.00 C ATOM 468 O ALA A 30 -12.917 3.125 8.952 1.00 0.00 O ATOM 469 CB ALA A 30 -12.138 2.467 11.998 1.00 0.00 C ATOM 0 H ALA A 30 -10.058 3.845 12.111 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.034 1.921 10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.016 1.884 11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.507 1.878 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.454 3.377 12.508 1.00 0.00 H new ATOM 475 N ASN A 31 -12.223 4.958 9.961 1.00 0.00 N ATOM 476 CA ASN A 31 -13.050 5.829 9.084 1.00 0.00 C ATOM 477 C ASN A 31 -12.488 5.794 7.656 1.00 0.00 C ATOM 478 O ASN A 31 -13.194 6.054 6.700 1.00 0.00 O ATOM 479 CB ASN A 31 -13.009 7.262 9.628 1.00 0.00 C ATOM 480 CG ASN A 31 -14.430 7.815 9.743 1.00 0.00 C ATOM 481 OD1 ASN A 31 -14.816 8.696 9.002 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.230 7.326 10.650 1.00 0.00 N ATOM 0 H ASN A 31 -11.671 5.452 10.662 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.081 5.475 9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.524 7.276 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.416 7.894 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.181 7.684 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.904 6.586 11.272 1.00 0.00 H new ATOM 489 N ARG A 32 -11.222 5.482 7.507 1.00 0.00 N ATOM 490 CA ARG A 32 -10.611 5.436 6.143 1.00 0.00 C ATOM 491 C ARG A 32 -10.262 3.984 5.791 1.00 0.00 C ATOM 492 O ARG A 32 -9.120 3.654 5.518 1.00 0.00 O ATOM 493 CB ARG A 32 -9.334 6.300 6.094 1.00 0.00 C ATOM 494 CG ARG A 32 -9.491 7.554 6.965 1.00 0.00 C ATOM 495 CD ARG A 32 -8.690 8.707 6.358 1.00 0.00 C ATOM 496 NE ARG A 32 -9.617 9.634 5.639 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.386 10.482 6.292 1.00 0.00 C ATOM 498 NH1 ARG A 32 -10.372 10.553 7.604 1.00 0.00 N ATOM 499 NH2 ARG A 32 -11.182 11.270 5.621 1.00 0.00 N ATOM 0 H ARG A 32 -10.586 5.257 8.273 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.327 5.830 5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.481 5.716 6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.125 6.591 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.543 7.828 7.038 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.144 7.351 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.156 9.245 7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.940 8.319 5.669 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.655 9.610 4.620 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.756 9.943 8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.977 11.218 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.204 11.225 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.782 11.930 6.116 1.00 0.00 H new ATOM 513 N ILE A 33 -11.242 3.116 5.790 1.00 0.00 N ATOM 514 CA ILE A 33 -10.983 1.686 5.452 1.00 0.00 C ATOM 515 C ILE A 33 -11.656 1.355 4.117 1.00 0.00 C ATOM 516 O ILE A 33 -12.867 1.258 4.032 1.00 0.00 O ATOM 517 CB ILE A 33 -11.553 0.788 6.558 1.00 0.00 C ATOM 518 CG1 ILE A 33 -10.894 1.145 7.900 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.286 -0.687 6.228 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.382 0.887 7.846 1.00 0.00 C ATOM 0 H ILE A 33 -12.213 3.338 6.010 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.910 1.515 5.370 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.629 0.947 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.081 2.193 8.136 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.341 0.554 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.694 -1.316 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.762 -0.940 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.212 -0.854 6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.934 1.146 8.805 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.200 -0.166 7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.936 1.498 7.061 1.00 0.00 H new ATOM 532 N PHE A 34 -10.880 1.179 3.080 1.00 0.00 N ATOM 533 CA PHE A 34 -11.464 0.850 1.749 1.00 0.00 C ATOM 534 C PHE A 34 -11.272 -0.640 1.467 1.00 0.00 C ATOM 535 O PHE A 34 -10.418 -1.035 0.695 1.00 0.00 O ATOM 536 CB PHE A 34 -10.771 1.680 0.668 1.00 0.00 C ATOM 537 CG PHE A 34 -11.359 3.069 0.663 1.00 0.00 C ATOM 538 CD1 PHE A 34 -11.181 3.906 1.770 1.00 0.00 C ATOM 539 CD2 PHE A 34 -12.089 3.516 -0.442 1.00 0.00 C ATOM 540 CE1 PHE A 34 -11.732 5.191 1.770 1.00 0.00 C ATOM 541 CE2 PHE A 34 -12.643 4.802 -0.442 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.464 5.640 0.665 1.00 0.00 C ATOM 0 H PHE A 34 -9.863 1.250 3.099 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.529 1.082 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.699 1.726 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.902 1.212 -0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.618 3.560 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.226 2.869 -1.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.593 5.838 2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.208 5.147 -1.295 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.890 6.632 0.666 1.00 0.00 H new ATOM 552 N THR A 35 -12.062 -1.468 2.098 1.00 0.00 N ATOM 553 CA THR A 35 -11.940 -2.939 1.886 1.00 0.00 C ATOM 554 C THR A 35 -12.699 -3.343 0.622 1.00 0.00 C ATOM 555 O THR A 35 -13.441 -2.564 0.055 1.00 0.00 O ATOM 556 CB THR A 35 -12.530 -3.677 3.092 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.524 -5.075 2.839 1.00 0.00 O ATOM 558 CG2 THR A 35 -13.968 -3.205 3.327 1.00 0.00 C ATOM 0 H THR A 35 -12.790 -1.186 2.754 1.00 0.00 H new ATOM 0 HA THR A 35 -10.888 -3.202 1.774 1.00 0.00 H new ATOM 0 HB THR A 35 -11.931 -3.465 3.977 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.366 -5.333 2.409 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.388 -3.730 4.185 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.972 -2.132 3.521 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.569 -3.416 2.443 1.00 0.00 H new ATOM 566 N ASP A 36 -12.519 -4.561 0.187 1.00 0.00 N ATOM 567 CA ASP A 36 -13.225 -5.043 -1.035 1.00 0.00 C ATOM 568 C ASP A 36 -13.997 -6.314 -0.686 1.00 0.00 C ATOM 569 O ASP A 36 -13.414 -7.338 -0.381 1.00 0.00 O ATOM 570 CB ASP A 36 -12.201 -5.345 -2.131 1.00 0.00 C ATOM 571 CG ASP A 36 -11.650 -4.035 -2.703 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.625 -3.052 -1.978 1.00 0.00 O ATOM 573 OD2 ASP A 36 -11.259 -4.036 -3.858 1.00 0.00 O ATOM 0 H ASP A 36 -11.908 -5.248 0.629 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.915 -4.279 -1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.387 -5.946 -1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.666 -5.931 -2.924 1.00 0.00 H new ATOM 578 N LYS A 37 -15.305 -6.254 -0.713 1.00 0.00 N ATOM 579 CA LYS A 37 -16.120 -7.454 -0.371 1.00 0.00 C ATOM 580 C LYS A 37 -15.982 -8.510 -1.473 1.00 0.00 C ATOM 581 O LYS A 37 -16.893 -8.740 -2.247 1.00 0.00 O ATOM 582 CB LYS A 37 -17.591 -7.053 -0.216 1.00 0.00 C ATOM 583 CG LYS A 37 -17.718 -5.915 0.802 1.00 0.00 C ATOM 584 CD LYS A 37 -17.411 -6.434 2.213 1.00 0.00 C ATOM 585 CE LYS A 37 -18.623 -7.189 2.765 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.459 -8.655 2.531 1.00 0.00 N ATOM 0 H LYS A 37 -15.842 -5.422 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.762 -7.873 0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.994 -6.738 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.178 -7.911 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.031 -5.108 0.545 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.725 -5.499 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.542 -7.092 2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.160 -5.601 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.730 -6.992 3.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.534 -6.835 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.277 -9.015 1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.590 -8.824 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.396 -9.147 3.445 1.00 0.00 H new ATOM 600 N ALA A 38 -14.848 -9.159 -1.539 1.00 0.00 N ATOM 601 CA ALA A 38 -14.626 -10.213 -2.575 1.00 0.00 C ATOM 602 C ALA A 38 -15.390 -11.485 -2.183 1.00 0.00 C ATOM 603 O ALA A 38 -14.808 -12.541 -1.996 1.00 0.00 O ATOM 604 CB ALA A 38 -13.127 -10.522 -2.663 1.00 0.00 C ATOM 0 H ALA A 38 -14.058 -9.002 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 38 -14.985 -9.860 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.958 -11.290 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.585 -9.618 -2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.772 -10.878 -1.696 1.00 0.00 H new ATOM 610 N SER A 39 -16.688 -11.393 -2.053 1.00 0.00 N ATOM 611 CA SER A 39 -17.498 -12.588 -1.671 1.00 0.00 C ATOM 612 C SER A 39 -18.464 -12.946 -2.803 1.00 0.00 C ATOM 613 O SER A 39 -18.771 -14.102 -3.024 1.00 0.00 O ATOM 614 CB SER A 39 -18.294 -12.279 -0.402 1.00 0.00 C ATOM 615 OG SER A 39 -19.013 -13.439 -0.005 1.00 0.00 O ATOM 0 H SER A 39 -17.224 -10.537 -2.196 1.00 0.00 H new ATOM 0 HA SER A 39 -16.830 -13.430 -1.489 1.00 0.00 H new ATOM 0 HB2 SER A 39 -17.621 -11.963 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 39 -18.983 -11.454 -0.583 1.00 0.00 H new ATOM 0 HG SER A 39 -19.523 -13.245 0.809 1.00 0.00 H new ATOM 621 N GLY A 40 -18.947 -11.960 -3.519 1.00 0.00 N ATOM 622 CA GLY A 40 -19.898 -12.236 -4.639 1.00 0.00 C ATOM 623 C GLY A 40 -19.208 -13.089 -5.704 1.00 0.00 C ATOM 624 O GLY A 40 -18.236 -13.768 -5.433 1.00 0.00 O ATOM 0 H GLY A 40 -18.723 -10.975 -3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.780 -12.753 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -20.241 -11.299 -5.077 1.00 0.00 H new ATOM 628 N SER A 41 -19.705 -13.058 -6.915 1.00 0.00 N ATOM 629 CA SER A 41 -19.086 -13.865 -8.008 1.00 0.00 C ATOM 630 C SER A 41 -17.642 -13.408 -8.229 1.00 0.00 C ATOM 631 O SER A 41 -16.705 -14.125 -7.935 1.00 0.00 O ATOM 632 CB SER A 41 -19.884 -13.672 -9.298 1.00 0.00 C ATOM 633 OG SER A 41 -21.194 -14.195 -9.124 1.00 0.00 O ATOM 0 H SER A 41 -20.516 -12.506 -7.194 1.00 0.00 H new ATOM 0 HA SER A 41 -19.094 -14.919 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 41 -19.934 -12.613 -9.553 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.386 -14.176 -10.126 1.00 0.00 H new ATOM 0 HG SER A 41 -21.708 -14.071 -9.949 1.00 0.00 H new ATOM 639 N SER A 42 -17.460 -12.217 -8.744 1.00 0.00 N ATOM 640 CA SER A 42 -16.081 -11.704 -8.985 1.00 0.00 C ATOM 641 C SER A 42 -15.641 -10.852 -7.793 1.00 0.00 C ATOM 642 O SER A 42 -16.429 -10.539 -6.919 1.00 0.00 O ATOM 643 CB SER A 42 -16.070 -10.850 -10.254 1.00 0.00 C ATOM 644 OG SER A 42 -14.788 -10.937 -10.866 1.00 0.00 O ATOM 0 H SER A 42 -18.210 -11.578 -9.008 1.00 0.00 H new ATOM 0 HA SER A 42 -15.396 -12.543 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.840 -11.194 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.300 -9.813 -10.011 1.00 0.00 H new ATOM 0 HG SER A 42 -14.777 -10.393 -11.681 1.00 0.00 H new ATOM 650 N SER A 43 -14.388 -10.478 -7.751 1.00 0.00 N ATOM 651 CA SER A 43 -13.886 -9.646 -6.619 1.00 0.00 C ATOM 652 C SER A 43 -14.604 -8.294 -6.621 1.00 0.00 C ATOM 653 O SER A 43 -15.100 -7.849 -7.639 1.00 0.00 O ATOM 654 CB SER A 43 -12.382 -9.425 -6.776 1.00 0.00 C ATOM 655 OG SER A 43 -11.776 -9.377 -5.491 1.00 0.00 O ATOM 0 H SER A 43 -13.689 -10.715 -8.455 1.00 0.00 H new ATOM 0 HA SER A 43 -14.081 -10.159 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.945 -10.230 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.194 -8.496 -7.314 1.00 0.00 H new ATOM 0 HG SER A 43 -10.857 -9.711 -5.550 1.00 0.00 H new ATOM 661 N ASP A 44 -14.657 -7.638 -5.489 1.00 0.00 N ATOM 662 CA ASP A 44 -15.339 -6.313 -5.419 1.00 0.00 C ATOM 663 C ASP A 44 -14.284 -5.204 -5.448 1.00 0.00 C ATOM 664 O ASP A 44 -13.936 -4.638 -4.428 1.00 0.00 O ATOM 665 CB ASP A 44 -16.149 -6.218 -4.124 1.00 0.00 C ATOM 666 CG ASP A 44 -17.385 -5.345 -4.359 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.325 -5.835 -4.964 1.00 0.00 O ATOM 668 OD2 ASP A 44 -17.370 -4.203 -3.929 1.00 0.00 O ATOM 0 H ASP A 44 -14.256 -7.965 -4.610 1.00 0.00 H new ATOM 0 HA ASP A 44 -16.012 -6.202 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.450 -7.213 -3.797 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.536 -5.793 -3.329 1.00 0.00 H new ATOM 673 N ARG A 45 -13.774 -4.897 -6.612 1.00 0.00 N ATOM 674 CA ARG A 45 -12.740 -3.828 -6.725 1.00 0.00 C ATOM 675 C ARG A 45 -13.392 -2.459 -6.499 1.00 0.00 C ATOM 676 O ARG A 45 -13.470 -1.640 -7.397 1.00 0.00 O ATOM 677 CB ARG A 45 -12.110 -3.880 -8.121 1.00 0.00 C ATOM 678 CG ARG A 45 -10.846 -4.741 -8.079 1.00 0.00 C ATOM 679 CD ARG A 45 -10.597 -5.349 -9.461 1.00 0.00 C ATOM 680 NE ARG A 45 -9.921 -4.340 -10.334 1.00 0.00 N ATOM 681 CZ ARG A 45 -9.828 -4.512 -11.638 1.00 0.00 C ATOM 682 NH1 ARG A 45 -10.320 -5.577 -12.229 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.229 -3.603 -12.360 1.00 0.00 N ATOM 0 H ARG A 45 -14.031 -5.343 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.966 -3.984 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.820 -4.293 -8.837 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -11.866 -2.873 -8.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.991 -4.136 -7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.956 -5.531 -7.337 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.978 -6.242 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.541 -5.660 -9.909 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.523 -3.501 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.788 -6.296 -11.677 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.234 -5.685 -13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.840 -2.772 -11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.150 -3.724 -13.370 1.00 0.00 H new ATOM 697 N LYS A 46 -13.857 -2.207 -5.302 1.00 0.00 N ATOM 698 CA LYS A 46 -14.501 -0.895 -5.001 1.00 0.00 C ATOM 699 C LYS A 46 -13.591 -0.089 -4.077 1.00 0.00 C ATOM 700 O LYS A 46 -13.390 1.095 -4.270 1.00 0.00 O ATOM 701 CB LYS A 46 -15.848 -1.123 -4.314 1.00 0.00 C ATOM 702 CG LYS A 46 -16.809 -1.824 -5.278 1.00 0.00 C ATOM 703 CD LYS A 46 -17.100 -0.912 -6.474 1.00 0.00 C ATOM 704 CE LYS A 46 -18.573 -1.040 -6.873 1.00 0.00 C ATOM 705 NZ LYS A 46 -18.727 -0.711 -8.319 1.00 0.00 N ATOM 0 H LYS A 46 -13.818 -2.857 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 46 -14.661 -0.349 -5.931 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.712 -1.728 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.270 -0.170 -3.994 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.374 -2.762 -5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.737 -2.073 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -16.871 0.123 -6.219 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -16.461 -1.183 -7.314 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.926 -2.053 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.184 -0.369 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -19.727 -0.798 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.405 0.263 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.156 -1.369 -8.887 1.00 0.00 H new ATOM 719 N GLY A 47 -13.032 -0.726 -3.076 1.00 0.00 N ATOM 720 CA GLY A 47 -12.124 -0.003 -2.135 1.00 0.00 C ATOM 721 C GLY A 47 -10.940 0.568 -2.919 1.00 0.00 C ATOM 722 O GLY A 47 -10.427 1.622 -2.607 1.00 0.00 O ATOM 0 H GLY A 47 -13.166 -1.716 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.665 0.800 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.769 -0.682 -1.359 1.00 0.00 H new ATOM 726 N LEU A 48 -10.521 -0.128 -3.944 1.00 0.00 N ATOM 727 CA LEU A 48 -9.382 0.354 -4.777 1.00 0.00 C ATOM 728 C LEU A 48 -9.908 1.357 -5.807 1.00 0.00 C ATOM 729 O LEU A 48 -9.342 2.416 -6.005 1.00 0.00 O ATOM 730 CB LEU A 48 -8.752 -0.844 -5.495 1.00 0.00 C ATOM 731 CG LEU A 48 -7.534 -0.395 -6.303 1.00 0.00 C ATOM 732 CD1 LEU A 48 -6.559 -1.566 -6.433 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.983 0.047 -7.698 1.00 0.00 C ATOM 0 H LEU A 48 -10.923 -1.017 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.633 0.838 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.456 -1.599 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.485 -1.308 -6.155 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.045 0.438 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.688 -1.252 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.242 -1.887 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.051 -2.394 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.115 0.367 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.468 -0.787 -8.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.685 0.876 -7.609 1.00 0.00 H new ATOM 745 N ASP A 49 -10.998 1.028 -6.458 1.00 0.00 N ATOM 746 CA ASP A 49 -11.583 1.952 -7.477 1.00 0.00 C ATOM 747 C ASP A 49 -11.922 3.289 -6.813 1.00 0.00 C ATOM 748 O ASP A 49 -11.857 4.335 -7.433 1.00 0.00 O ATOM 749 CB ASP A 49 -12.861 1.327 -8.049 1.00 0.00 C ATOM 750 CG ASP A 49 -12.553 0.668 -9.397 1.00 0.00 C ATOM 751 OD1 ASP A 49 -11.633 -0.132 -9.446 1.00 0.00 O ATOM 752 OD2 ASP A 49 -13.242 0.974 -10.356 1.00 0.00 O ATOM 0 H ASP A 49 -11.509 0.155 -6.326 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.865 2.117 -8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.259 0.588 -7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.627 2.092 -8.174 1.00 0.00 H new ATOM 757 N LEU A 50 -12.276 3.255 -5.555 1.00 0.00 N ATOM 758 CA LEU A 50 -12.615 4.514 -4.834 1.00 0.00 C ATOM 759 C LEU A 50 -11.329 5.147 -4.299 1.00 0.00 C ATOM 760 O LEU A 50 -11.230 6.351 -4.177 1.00 0.00 O ATOM 761 CB LEU A 50 -13.563 4.200 -3.677 1.00 0.00 C ATOM 762 CG LEU A 50 -14.810 3.500 -4.220 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.450 2.661 -3.114 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.811 4.551 -4.708 1.00 0.00 C ATOM 0 H LEU A 50 -12.345 2.405 -4.995 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.105 5.210 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.064 3.564 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.843 5.119 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.529 2.851 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.338 2.163 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.738 1.913 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.731 3.308 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.700 4.054 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.090 5.200 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.356 5.148 -5.498 1.00 0.00 H new ATOM 776 N LEU A 51 -10.337 4.345 -3.994 1.00 0.00 N ATOM 777 CA LEU A 51 -9.043 4.897 -3.482 1.00 0.00 C ATOM 778 C LEU A 51 -8.446 5.829 -4.536 1.00 0.00 C ATOM 779 O LEU A 51 -7.791 6.800 -4.216 1.00 0.00 O ATOM 780 CB LEU A 51 -8.074 3.739 -3.208 1.00 0.00 C ATOM 781 CG LEU A 51 -7.258 4.027 -1.946 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.183 4.061 -0.723 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.207 2.929 -1.763 1.00 0.00 C ATOM 0 H LEU A 51 -10.368 3.329 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.214 5.452 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.630 2.809 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.407 3.603 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.765 4.994 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.596 4.266 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.931 4.843 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.681 3.097 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.623 3.130 -0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.703 1.963 -1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.546 2.911 -2.629 1.00 0.00 H new ATOM 795 N ARG A 52 -8.679 5.540 -5.791 1.00 0.00 N ATOM 796 CA ARG A 52 -8.138 6.406 -6.881 1.00 0.00 C ATOM 797 C ARG A 52 -8.784 7.796 -6.811 1.00 0.00 C ATOM 798 O ARG A 52 -8.246 8.759 -7.325 1.00 0.00 O ATOM 799 CB ARG A 52 -8.451 5.768 -8.237 1.00 0.00 C ATOM 800 CG ARG A 52 -7.293 4.860 -8.657 1.00 0.00 C ATOM 801 CD ARG A 52 -7.601 3.410 -8.272 1.00 0.00 C ATOM 802 NE ARG A 52 -7.368 2.522 -9.453 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.199 2.511 -10.479 1.00 0.00 C ATOM 804 NH1 ARG A 52 -9.264 3.279 -10.510 1.00 0.00 N ATOM 805 NH2 ARG A 52 -7.955 1.720 -11.487 1.00 0.00 N ATOM 0 H ARG A 52 -9.223 4.738 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.059 6.505 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.374 5.192 -8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.609 6.543 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.133 4.934 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.371 5.185 -8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.968 3.101 -7.440 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.634 3.323 -7.936 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.550 1.912 -9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.465 3.903 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.890 3.251 -11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.130 1.120 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.589 1.702 -12.286 1.00 0.00 H new ATOM 819 N MET A 53 -9.936 7.907 -6.192 1.00 0.00 N ATOM 820 CA MET A 53 -10.621 9.235 -6.101 1.00 0.00 C ATOM 821 C MET A 53 -10.665 9.710 -4.643 1.00 0.00 C ATOM 822 O MET A 53 -10.771 10.892 -4.375 1.00 0.00 O ATOM 823 CB MET A 53 -12.059 9.114 -6.627 1.00 0.00 C ATOM 824 CG MET A 53 -12.736 7.874 -6.032 1.00 0.00 C ATOM 825 SD MET A 53 -14.484 7.856 -6.500 1.00 0.00 S ATOM 826 CE MET A 53 -14.294 6.957 -8.058 1.00 0.00 C ATOM 0 H MET A 53 -10.431 7.135 -5.746 1.00 0.00 H new ATOM 0 HA MET A 53 -10.064 9.955 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.626 10.008 -6.366 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.052 9.047 -7.715 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.243 6.970 -6.391 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.639 7.880 -4.946 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.270 6.831 -8.527 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.641 7.519 -8.725 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.856 5.978 -7.862 1.00 0.00 H new ATOM 836 N LYS A 54 -10.604 8.799 -3.704 1.00 0.00 N ATOM 837 CA LYS A 54 -10.664 9.190 -2.265 1.00 0.00 C ATOM 838 C LYS A 54 -9.272 9.564 -1.754 1.00 0.00 C ATOM 839 O LYS A 54 -9.134 10.356 -0.841 1.00 0.00 O ATOM 840 CB LYS A 54 -11.199 8.017 -1.448 1.00 0.00 C ATOM 841 CG LYS A 54 -12.723 8.119 -1.353 1.00 0.00 C ATOM 842 CD LYS A 54 -13.105 8.981 -0.149 1.00 0.00 C ATOM 843 CE LYS A 54 -14.611 8.878 0.097 1.00 0.00 C ATOM 844 NZ LYS A 54 -15.056 10.017 0.947 1.00 0.00 N ATOM 0 H LYS A 54 -10.515 7.797 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.322 10.052 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.915 7.074 -1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.760 8.024 -0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.126 8.554 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.159 7.125 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.558 8.652 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.826 10.019 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.147 8.888 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.846 7.932 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.080 9.946 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.554 9.988 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.845 10.914 0.464 1.00 0.00 H new ATOM 858 N VAL A 55 -8.243 8.997 -2.328 1.00 0.00 N ATOM 859 CA VAL A 55 -6.857 9.305 -1.875 1.00 0.00 C ATOM 860 C VAL A 55 -6.597 10.819 -1.971 1.00 0.00 C ATOM 861 O VAL A 55 -7.100 11.486 -2.856 1.00 0.00 O ATOM 862 CB VAL A 55 -5.873 8.532 -2.755 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.955 9.025 -4.205 1.00 0.00 C ATOM 864 CG2 VAL A 55 -4.460 8.734 -2.224 1.00 0.00 C ATOM 0 H VAL A 55 -8.306 8.329 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.727 9.005 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.128 7.473 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.249 8.466 -4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.966 8.874 -4.584 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.708 10.086 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.755 8.185 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.212 9.795 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.400 8.367 -1.200 1.00 0.00 H new ATOM 874 N GLU A 56 -5.823 11.357 -1.062 1.00 0.00 N ATOM 875 CA GLU A 56 -5.535 12.822 -1.091 1.00 0.00 C ATOM 876 C GLU A 56 -4.054 13.053 -1.407 1.00 0.00 C ATOM 877 O GLU A 56 -3.242 12.152 -1.315 1.00 0.00 O ATOM 878 CB GLU A 56 -5.868 13.430 0.275 1.00 0.00 C ATOM 879 CG GLU A 56 -6.460 14.830 0.084 1.00 0.00 C ATOM 880 CD GLU A 56 -7.540 15.077 1.139 1.00 0.00 C ATOM 881 OE1 GLU A 56 -7.183 15.358 2.271 1.00 0.00 O ATOM 882 OE2 GLU A 56 -8.708 14.982 0.796 1.00 0.00 O ATOM 0 H GLU A 56 -5.378 10.844 -0.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.143 13.296 -1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.577 12.794 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.969 13.485 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.676 15.582 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.885 14.923 -0.915 1.00 0.00 H new ATOM 889 N GLU A 57 -3.702 14.259 -1.776 1.00 0.00 N ATOM 890 CA GLU A 57 -2.277 14.562 -2.099 1.00 0.00 C ATOM 891 C GLU A 57 -1.425 14.407 -0.839 1.00 0.00 C ATOM 892 O GLU A 57 -1.620 15.100 0.141 1.00 0.00 O ATOM 893 CB GLU A 57 -2.166 15.998 -2.617 1.00 0.00 C ATOM 894 CG GLU A 57 -0.743 16.249 -3.121 1.00 0.00 C ATOM 895 CD GLU A 57 -0.676 17.618 -3.800 1.00 0.00 C ATOM 896 OE1 GLU A 57 -1.270 17.763 -4.856 1.00 0.00 O ATOM 897 OE2 GLU A 57 -0.034 18.499 -3.252 1.00 0.00 O ATOM 0 H GLU A 57 -4.343 15.048 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.923 13.871 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.883 16.162 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.412 16.703 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.039 16.209 -2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.452 15.468 -3.824 1.00 0.00 H new ATOM 904 N GLY A 58 -0.482 13.499 -0.858 1.00 0.00 N ATOM 905 CA GLY A 58 0.388 13.288 0.336 1.00 0.00 C ATOM 906 C GLY A 58 -0.280 12.303 1.299 1.00 0.00 C ATOM 907 O GLY A 58 -0.012 12.313 2.485 1.00 0.00 O ATOM 0 H GLY A 58 -0.278 12.893 -1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.360 12.904 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.566 14.238 0.839 1.00 0.00 H new ATOM 911 N ASP A 59 -1.147 11.456 0.801 1.00 0.00 N ATOM 912 CA ASP A 59 -1.834 10.471 1.688 1.00 0.00 C ATOM 913 C ASP A 59 -0.999 9.190 1.770 1.00 0.00 C ATOM 914 O ASP A 59 -0.084 8.985 0.995 1.00 0.00 O ATOM 915 CB ASP A 59 -3.218 10.148 1.111 1.00 0.00 C ATOM 916 CG ASP A 59 -4.288 10.966 1.843 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.971 12.053 2.297 1.00 0.00 O ATOM 918 OD2 ASP A 59 -5.407 10.489 1.932 1.00 0.00 O ATOM 0 H ASP A 59 -1.408 11.405 -0.184 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.946 10.893 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.240 10.374 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.426 9.083 1.215 1.00 0.00 H new ATOM 923 N VAL A 60 -1.316 8.326 2.701 1.00 0.00 N ATOM 924 CA VAL A 60 -0.552 7.048 2.837 1.00 0.00 C ATOM 925 C VAL A 60 -1.515 5.870 2.687 1.00 0.00 C ATOM 926 O VAL A 60 -2.435 5.705 3.468 1.00 0.00 O ATOM 927 CB VAL A 60 0.145 6.961 4.206 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.484 7.696 4.146 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.731 7.583 5.300 1.00 0.00 C ATOM 0 H VAL A 60 -2.072 8.451 3.374 1.00 0.00 H new ATOM 0 HA VAL A 60 0.211 7.017 2.059 1.00 0.00 H new ATOM 0 HB VAL A 60 0.310 5.911 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.977 7.634 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.117 7.237 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.314 8.742 3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.220 7.511 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.917 8.631 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.680 7.049 5.353 1.00 0.00 H new ATOM 939 N ILE A 61 -1.308 5.054 1.689 1.00 0.00 N ATOM 940 CA ILE A 61 -2.199 3.880 1.471 1.00 0.00 C ATOM 941 C ILE A 61 -1.579 2.648 2.140 1.00 0.00 C ATOM 942 O ILE A 61 -0.683 2.025 1.601 1.00 0.00 O ATOM 943 CB ILE A 61 -2.358 3.647 -0.036 1.00 0.00 C ATOM 944 CG1 ILE A 61 -3.003 4.885 -0.666 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.247 2.426 -0.294 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.511 5.046 -2.105 1.00 0.00 C ATOM 0 H ILE A 61 -0.553 5.152 1.010 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.181 4.063 1.908 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.377 3.468 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.089 4.789 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.754 5.773 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.351 2.272 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.793 1.543 0.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.230 2.592 0.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.972 5.928 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.427 5.162 -2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.783 4.163 -2.683 1.00 0.00 H new ATOM 958 N LEU A 62 -2.051 2.301 3.309 1.00 0.00 N ATOM 959 CA LEU A 62 -1.499 1.117 4.026 1.00 0.00 C ATOM 960 C LEU A 62 -2.180 -0.154 3.503 1.00 0.00 C ATOM 961 O LEU A 62 -3.369 -0.345 3.679 1.00 0.00 O ATOM 962 CB LEU A 62 -1.764 1.269 5.534 1.00 0.00 C ATOM 963 CG LEU A 62 -0.438 1.351 6.293 1.00 0.00 C ATOM 964 CD1 LEU A 62 -0.684 1.917 7.692 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.170 -0.049 6.411 1.00 0.00 C ATOM 0 H LEU A 62 -2.799 2.791 3.799 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.425 1.047 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.354 2.166 5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.348 0.423 5.896 1.00 0.00 H new ATOM 0 HG LEU A 62 0.249 2.002 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.261 1.975 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.117 2.914 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.371 1.266 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.115 0.009 6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.518 -0.700 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.346 -0.454 5.415 1.00 0.00 H new ATOM 977 N VAL A 63 -1.437 -1.022 2.864 1.00 0.00 N ATOM 978 CA VAL A 63 -2.037 -2.283 2.333 1.00 0.00 C ATOM 979 C VAL A 63 -1.654 -3.448 3.249 1.00 0.00 C ATOM 980 O VAL A 63 -0.523 -3.557 3.685 1.00 0.00 O ATOM 981 CB VAL A 63 -1.514 -2.544 0.914 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.280 -3.714 0.292 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.719 -1.294 0.052 1.00 0.00 C ATOM 0 H VAL A 63 -0.439 -0.911 2.687 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.122 -2.188 2.301 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.452 -2.785 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.907 -3.898 -0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.137 -4.607 0.901 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.342 -3.471 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.347 -1.482 -0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.781 -1.053 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.175 -0.457 0.490 1.00 0.00 H new ATOM 993 N LYS A 64 -2.592 -4.311 3.556 1.00 0.00 N ATOM 994 CA LYS A 64 -2.292 -5.467 4.457 1.00 0.00 C ATOM 995 C LYS A 64 -1.906 -6.695 3.629 1.00 0.00 C ATOM 996 O LYS A 64 -1.802 -6.633 2.418 1.00 0.00 O ATOM 997 CB LYS A 64 -3.529 -5.790 5.300 1.00 0.00 C ATOM 998 CG LYS A 64 -4.734 -6.005 4.383 1.00 0.00 C ATOM 999 CD LYS A 64 -5.786 -6.845 5.110 1.00 0.00 C ATOM 1000 CE LYS A 64 -5.349 -8.311 5.126 1.00 0.00 C ATOM 1001 NZ LYS A 64 -5.810 -8.952 6.390 1.00 0.00 N ATOM 0 H LYS A 64 -3.554 -4.264 3.221 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.460 -5.202 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.351 -6.684 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.730 -4.976 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.158 -5.044 4.092 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.422 -6.507 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.915 -6.482 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.751 -6.748 4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.766 -8.836 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.264 -8.379 5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.027 -9.493 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.122 -8.218 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.603 -9.593 6.185 1.00 0.00 H new ATOM 1015 N LYS A 65 -1.691 -7.812 4.281 1.00 0.00 N ATOM 1016 CA LYS A 65 -1.307 -9.055 3.548 1.00 0.00 C ATOM 1017 C LYS A 65 -2.211 -10.211 3.990 1.00 0.00 C ATOM 1018 O LYS A 65 -2.327 -10.507 5.162 1.00 0.00 O ATOM 1019 CB LYS A 65 0.152 -9.401 3.857 1.00 0.00 C ATOM 1020 CG LYS A 65 0.356 -9.464 5.373 1.00 0.00 C ATOM 1021 CD LYS A 65 1.847 -9.620 5.682 1.00 0.00 C ATOM 1022 CE LYS A 65 2.022 -10.494 6.927 1.00 0.00 C ATOM 1023 NZ LYS A 65 2.199 -11.915 6.516 1.00 0.00 N ATOM 0 H LYS A 65 -1.766 -7.915 5.293 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.423 -8.893 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.413 -10.358 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.814 -8.652 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.030 -8.558 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.202 -10.301 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.360 -10.071 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.300 -8.642 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.887 -10.160 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.152 -10.398 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.318 -12.509 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.361 -12.230 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.042 -11.999 5.912 1.00 0.00 H new ATOM 1037 N LEU A 66 -2.846 -10.863 3.050 1.00 0.00 N ATOM 1038 CA LEU A 66 -3.750 -12.004 3.379 1.00 0.00 C ATOM 1039 C LEU A 66 -4.340 -12.506 2.067 1.00 0.00 C ATOM 1040 O LEU A 66 -4.217 -13.663 1.713 1.00 0.00 O ATOM 1041 CB LEU A 66 -4.878 -11.529 4.309 1.00 0.00 C ATOM 1042 CG LEU A 66 -5.832 -12.695 4.624 1.00 0.00 C ATOM 1043 CD1 LEU A 66 -5.620 -13.166 6.066 1.00 0.00 C ATOM 1044 CD2 LEU A 66 -7.282 -12.234 4.449 1.00 0.00 C ATOM 0 H LEU A 66 -2.775 -10.649 2.055 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.201 -12.797 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.456 -11.135 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.429 -10.715 3.838 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.625 -13.519 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.298 -13.991 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.590 -13.500 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.821 -12.342 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.956 -13.061 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.485 -11.406 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.438 -11.906 3.421 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.956 -11.618 1.335 1.00 0.00 N ATOM 1057 CA ASP A 67 -5.540 -11.994 0.024 1.00 0.00 C ATOM 1058 C ASP A 67 -4.579 -11.532 -1.069 1.00 0.00 C ATOM 1059 O ASP A 67 -4.249 -10.367 -1.159 1.00 0.00 O ATOM 1060 CB ASP A 67 -6.895 -11.304 -0.155 1.00 0.00 C ATOM 1061 CG ASP A 67 -6.739 -9.799 0.071 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -6.454 -9.103 -0.888 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -6.910 -9.370 1.200 1.00 0.00 O ATOM 0 H ASP A 67 -5.079 -10.639 1.595 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.688 -13.073 -0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.281 -11.493 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.619 -11.714 0.549 1.00 0.00 H new ATOM 1068 N ARG A 68 -4.115 -12.448 -1.883 1.00 0.00 N ATOM 1069 CA ARG A 68 -3.148 -12.108 -2.983 1.00 0.00 C ATOM 1070 C ARG A 68 -3.559 -10.818 -3.710 1.00 0.00 C ATOM 1071 O ARG A 68 -4.658 -10.698 -4.217 1.00 0.00 O ATOM 1072 CB ARG A 68 -3.108 -13.258 -3.991 1.00 0.00 C ATOM 1073 CG ARG A 68 -1.711 -13.349 -4.607 1.00 0.00 C ATOM 1074 CD ARG A 68 -1.537 -14.709 -5.282 1.00 0.00 C ATOM 1075 NE ARG A 68 -1.830 -15.796 -4.296 1.00 0.00 N ATOM 1076 CZ ARG A 68 -1.994 -17.046 -4.679 1.00 0.00 C ATOM 1077 NH1 ARG A 68 -1.911 -17.396 -5.942 1.00 0.00 N ATOM 1078 NH2 ARG A 68 -2.246 -17.959 -3.782 1.00 0.00 N ATOM 0 H ARG A 68 -4.368 -13.435 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.165 -11.954 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.361 -14.197 -3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.851 -13.097 -4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.570 -12.550 -5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.953 -13.215 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.206 -14.790 -6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.520 -14.811 -5.661 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.904 -15.564 -3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.715 -16.693 -6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.042 -18.371 -6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.314 -17.702 -2.797 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.375 -18.930 -4.065 1.00 0.00 H new ATOM 1092 N LEU A 69 -2.677 -9.852 -3.746 1.00 0.00 N ATOM 1093 CA LEU A 69 -2.982 -8.552 -4.418 1.00 0.00 C ATOM 1094 C LEU A 69 -3.420 -8.792 -5.870 1.00 0.00 C ATOM 1095 O LEU A 69 -4.362 -8.184 -6.346 1.00 0.00 O ATOM 1096 CB LEU A 69 -1.723 -7.679 -4.398 1.00 0.00 C ATOM 1097 CG LEU A 69 -1.803 -6.675 -3.242 1.00 0.00 C ATOM 1098 CD1 LEU A 69 -0.471 -5.928 -3.113 1.00 0.00 C ATOM 1099 CD2 LEU A 69 -2.931 -5.670 -3.510 1.00 0.00 C ATOM 0 H LEU A 69 -1.746 -9.909 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.793 -8.052 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.838 -8.305 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.622 -7.149 -5.345 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.007 -7.210 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.532 -5.215 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.329 -6.642 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.262 -5.395 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.986 -4.957 -2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.730 -5.137 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.879 -6.201 -3.594 1.00 0.00 H new ATOM 1111 N GLY A 70 -2.748 -9.671 -6.571 1.00 0.00 N ATOM 1112 CA GLY A 70 -3.126 -9.948 -7.989 1.00 0.00 C ATOM 1113 C GLY A 70 -2.060 -10.826 -8.649 1.00 0.00 C ATOM 1114 O GLY A 70 -1.134 -11.284 -8.004 1.00 0.00 O ATOM 0 H GLY A 70 -1.954 -10.208 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.094 -10.447 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.229 -9.011 -8.537 1.00 0.00 H new ATOM 1118 N ARG A 71 -2.188 -11.063 -9.931 1.00 0.00 N ATOM 1119 CA ARG A 71 -1.191 -11.910 -10.648 1.00 0.00 C ATOM 1120 C ARG A 71 -1.414 -11.787 -12.159 1.00 0.00 C ATOM 1121 O ARG A 71 -1.494 -12.772 -12.871 1.00 0.00 O ATOM 1122 CB ARG A 71 -1.363 -13.371 -10.216 1.00 0.00 C ATOM 1123 CG ARG A 71 -0.070 -14.143 -10.490 1.00 0.00 C ATOM 1124 CD ARG A 71 -0.408 -15.589 -10.864 1.00 0.00 C ATOM 1125 NE ARG A 71 0.727 -16.484 -10.479 1.00 0.00 N ATOM 1126 CZ ARG A 71 0.842 -17.700 -10.975 1.00 0.00 C ATOM 1127 NH1 ARG A 71 -0.037 -18.184 -11.824 1.00 0.00 N ATOM 1128 NH2 ARG A 71 1.852 -18.444 -10.612 1.00 0.00 N ATOM 0 H ARG A 71 -2.945 -10.703 -10.513 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.182 -11.578 -10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.610 -13.421 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.192 -13.826 -10.758 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.486 -13.668 -11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.571 -14.124 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.320 -15.903 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.597 -15.664 -11.935 1.00 0.00 H new ATOM 0 HE ARG A 71 1.427 -16.146 -9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.832 -17.615 -12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.076 -19.128 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.540 -18.082 -9.952 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.952 -19.387 -10.989 1.00 0.00 H new ATOM 1142 N ASP A 72 -1.515 -10.578 -12.654 1.00 0.00 N ATOM 1143 CA ASP A 72 -1.737 -10.374 -14.117 1.00 0.00 C ATOM 1144 C ASP A 72 -0.643 -9.448 -14.670 1.00 0.00 C ATOM 1145 O ASP A 72 0.413 -9.311 -14.082 1.00 0.00 O ATOM 1146 CB ASP A 72 -3.120 -9.751 -14.335 1.00 0.00 C ATOM 1147 CG ASP A 72 -4.190 -10.643 -13.696 1.00 0.00 C ATOM 1148 OD1 ASP A 72 -4.075 -10.921 -12.514 1.00 0.00 O ATOM 1149 OD2 ASP A 72 -5.105 -11.031 -14.402 1.00 0.00 O ATOM 0 H ASP A 72 -1.453 -9.721 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.691 -11.330 -14.639 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.154 -8.753 -13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.315 -9.638 -15.401 1.00 0.00 H new ATOM 1154 N THR A 73 -0.881 -8.814 -15.798 1.00 0.00 N ATOM 1155 CA THR A 73 0.147 -7.902 -16.394 1.00 0.00 C ATOM 1156 C THR A 73 0.600 -6.861 -15.360 1.00 0.00 C ATOM 1157 O THR A 73 1.774 -6.577 -15.228 1.00 0.00 O ATOM 1158 CB THR A 73 -0.451 -7.185 -17.613 1.00 0.00 C ATOM 1159 OG1 THR A 73 0.517 -6.298 -18.156 1.00 0.00 O ATOM 1160 CG2 THR A 73 -1.693 -6.391 -17.197 1.00 0.00 C ATOM 0 H THR A 73 -1.747 -8.891 -16.331 1.00 0.00 H new ATOM 0 HA THR A 73 1.009 -8.494 -16.700 1.00 0.00 H new ATOM 0 HB THR A 73 -0.736 -7.925 -18.361 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.140 -5.839 -18.935 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.110 -5.886 -18.068 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.437 -7.071 -16.781 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.417 -5.651 -16.446 1.00 0.00 H new ATOM 1168 N ALA A 74 -0.328 -6.300 -14.626 1.00 0.00 N ATOM 1169 CA ALA A 74 0.032 -5.280 -13.598 1.00 0.00 C ATOM 1170 C ALA A 74 -1.244 -4.789 -12.907 1.00 0.00 C ATOM 1171 O ALA A 74 -1.652 -3.653 -13.065 1.00 0.00 O ATOM 1172 CB ALA A 74 0.748 -4.099 -14.264 1.00 0.00 C ATOM 0 H ALA A 74 -1.324 -6.507 -14.696 1.00 0.00 H new ATOM 0 HA ALA A 74 0.698 -5.727 -12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.008 -3.358 -13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.656 -4.453 -14.753 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.090 -3.646 -15.005 1.00 0.00 H new ATOM 1178 N ASP A 75 -1.874 -5.638 -12.138 1.00 0.00 N ATOM 1179 CA ASP A 75 -3.122 -5.229 -11.432 1.00 0.00 C ATOM 1180 C ASP A 75 -2.757 -4.324 -10.260 1.00 0.00 C ATOM 1181 O ASP A 75 -3.505 -3.435 -9.896 1.00 0.00 O ATOM 1182 CB ASP A 75 -3.853 -6.466 -10.907 1.00 0.00 C ATOM 1183 CG ASP A 75 -4.375 -7.290 -12.084 1.00 0.00 C ATOM 1184 OD1 ASP A 75 -4.787 -6.690 -13.063 1.00 0.00 O ATOM 1185 OD2 ASP A 75 -4.355 -8.504 -11.986 1.00 0.00 O ATOM 0 H ASP A 75 -1.577 -6.599 -11.969 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.773 -4.697 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.179 -7.069 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.681 -6.166 -10.264 1.00 0.00 H new ATOM 1190 N MET A 76 -1.612 -4.545 -9.672 1.00 0.00 N ATOM 1191 CA MET A 76 -1.190 -3.704 -8.523 1.00 0.00 C ATOM 1192 C MET A 76 -0.174 -2.669 -9.001 1.00 0.00 C ATOM 1193 O MET A 76 -0.208 -1.528 -8.598 1.00 0.00 O ATOM 1194 CB MET A 76 -0.578 -4.593 -7.433 1.00 0.00 C ATOM 1195 CG MET A 76 -1.526 -4.664 -6.229 1.00 0.00 C ATOM 1196 SD MET A 76 -3.099 -5.425 -6.721 1.00 0.00 S ATOM 1197 CE MET A 76 -4.177 -4.054 -6.243 1.00 0.00 C ATOM 0 H MET A 76 -0.952 -5.274 -9.941 1.00 0.00 H new ATOM 0 HA MET A 76 -2.054 -3.186 -8.107 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.398 -5.594 -7.825 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.388 -4.193 -7.124 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.067 -5.244 -5.428 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.704 -3.663 -5.836 1.00 0.00 H new ATOM 0 HE1 MET A 76 -5.051 -4.443 -5.721 1.00 0.00 H new ATOM 0 HE2 MET A 76 -3.633 -3.376 -5.585 1.00 0.00 H new ATOM 0 HE3 MET A 76 -4.497 -3.515 -7.135 1.00 0.00 H new ATOM 1207 N ILE A 77 0.718 -3.044 -9.879 1.00 0.00 N ATOM 1208 CA ILE A 77 1.721 -2.057 -10.388 1.00 0.00 C ATOM 1209 C ILE A 77 0.983 -0.842 -10.993 1.00 0.00 C ATOM 1210 O ILE A 77 1.535 0.240 -11.088 1.00 0.00 O ATOM 1211 CB ILE A 77 2.617 -2.740 -11.435 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.434 -3.850 -10.748 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.581 -1.719 -12.055 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.828 -5.217 -11.071 1.00 0.00 C ATOM 0 H ILE A 77 0.797 -3.985 -10.265 1.00 0.00 H new ATOM 0 HA ILE A 77 2.351 -1.703 -9.572 1.00 0.00 H new ATOM 0 HB ILE A 77 1.991 -3.162 -12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.470 -3.813 -11.085 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.444 -3.692 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.210 -2.215 -12.795 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.010 -0.926 -12.538 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.209 -1.290 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.410 -5.998 -10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.799 -5.253 -10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.842 -5.375 -12.149 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.260 -1.012 -11.384 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.028 0.127 -11.964 1.00 0.00 C ATOM 1228 C GLN A 78 -1.344 1.153 -10.866 1.00 0.00 C ATOM 1229 O GLN A 78 -0.669 2.160 -10.752 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.328 -0.401 -12.587 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.298 -0.210 -14.110 1.00 0.00 C ATOM 1232 CD GLN A 78 -1.204 -1.089 -14.722 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -1.451 -2.223 -15.083 1.00 0.00 O ATOM 1234 NE2 GLN A 78 0.001 -0.609 -14.865 1.00 0.00 N ATOM 0 H GLN A 78 -0.772 -1.892 -11.324 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.433 0.614 -12.737 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.453 -1.457 -12.347 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.183 0.125 -12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.267 -0.469 -14.537 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.113 0.837 -14.351 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.210 0.342 -14.563 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.734 -1.185 -15.279 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.371 0.928 -10.065 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.711 1.931 -8.996 1.00 0.00 C ATOM 1245 C LEU A 79 -1.489 2.205 -8.112 1.00 0.00 C ATOM 1246 O LEU A 79 -1.386 3.254 -7.502 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.948 1.497 -8.149 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.705 0.288 -7.209 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -3.172 -0.908 -7.985 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -2.735 0.644 -6.073 1.00 0.00 C ATOM 0 H LEU A 79 -2.977 0.108 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.991 2.860 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.274 2.346 -7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.766 1.253 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.667 0.025 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.010 -1.742 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.895 -1.198 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.229 -0.641 -8.462 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.588 -0.227 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.778 0.951 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.150 1.461 -5.483 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.548 1.290 -8.053 1.00 0.00 N ATOM 1263 CA ILE A 80 0.671 1.526 -7.225 1.00 0.00 C ATOM 1264 C ILE A 80 1.446 2.686 -7.870 1.00 0.00 C ATOM 1265 O ILE A 80 2.012 3.515 -7.186 1.00 0.00 O ATOM 1266 CB ILE A 80 1.516 0.228 -7.168 1.00 0.00 C ATOM 1267 CG1 ILE A 80 0.843 -0.778 -6.208 1.00 0.00 C ATOM 1268 CG2 ILE A 80 2.957 0.510 -6.691 1.00 0.00 C ATOM 1269 CD1 ILE A 80 0.829 -0.245 -4.770 1.00 0.00 C ATOM 0 H ILE A 80 -0.575 0.395 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 80 0.416 1.790 -6.199 1.00 0.00 H new ATOM 0 HB ILE A 80 1.569 -0.187 -8.174 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.178 -0.972 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.375 -1.729 -6.241 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.520 -0.423 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.439 1.204 -7.379 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.931 0.948 -5.693 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.349 -0.974 -4.117 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.852 -0.075 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.275 0.693 -4.735 1.00 0.00 H new ATOM 1281 N LYS A 81 1.456 2.753 -9.182 1.00 0.00 N ATOM 1282 CA LYS A 81 2.175 3.869 -9.869 1.00 0.00 C ATOM 1283 C LYS A 81 1.279 5.112 -9.878 1.00 0.00 C ATOM 1284 O LYS A 81 1.754 6.232 -9.832 1.00 0.00 O ATOM 1285 CB LYS A 81 2.497 3.460 -11.313 1.00 0.00 C ATOM 1286 CG LYS A 81 4.016 3.361 -11.500 1.00 0.00 C ATOM 1287 CD LYS A 81 4.442 1.895 -11.439 1.00 0.00 C ATOM 1288 CE LYS A 81 4.144 1.219 -12.781 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.266 0.303 -13.134 1.00 0.00 N ATOM 0 H LYS A 81 0.999 2.085 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 81 3.103 4.088 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.030 2.502 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.083 4.190 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.304 3.795 -12.457 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.527 3.932 -10.724 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.506 1.824 -11.212 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.910 1.384 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.210 0.661 -12.720 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.016 1.971 -13.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.922 -0.434 -13.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.024 0.845 -13.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.636 -0.142 -12.270 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.015 4.919 -9.943 1.00 0.00 N ATOM 1304 CA GLU A 82 -0.956 6.079 -9.966 1.00 0.00 C ATOM 1305 C GLU A 82 -0.799 6.901 -8.684 1.00 0.00 C ATOM 1306 O GLU A 82 -0.495 8.077 -8.726 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.393 5.564 -10.069 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.240 6.572 -10.849 1.00 0.00 C ATOM 1309 CD GLU A 82 -4.313 5.830 -11.647 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.954 5.151 -12.596 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -5.474 5.951 -11.296 1.00 0.00 O ATOM 0 H GLU A 82 -0.461 4.003 -9.981 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.730 6.710 -10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.409 4.595 -10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.810 5.416 -9.073 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.706 7.279 -10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.607 7.151 -11.522 1.00 0.00 H new ATOM 1318 N PHE A 83 -1.004 6.287 -7.544 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.870 7.027 -6.254 1.00 0.00 C ATOM 1320 C PHE A 83 0.566 7.542 -6.108 1.00 0.00 C ATOM 1321 O PHE A 83 0.801 8.590 -5.538 1.00 0.00 O ATOM 1322 CB PHE A 83 -1.192 6.089 -5.089 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.610 5.583 -5.214 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.678 6.486 -5.184 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.856 4.212 -5.355 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.993 6.017 -5.294 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.172 3.744 -5.466 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.239 4.648 -5.436 1.00 0.00 C ATOM 0 H PHE A 83 -1.259 5.304 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.563 7.868 -6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.496 5.250 -5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.066 6.614 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.489 7.544 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.031 3.515 -5.378 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.818 6.714 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.362 2.686 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.254 4.288 -5.523 1.00 0.00 H new ATOM 1338 N ASP A 84 1.523 6.814 -6.628 1.00 0.00 N ATOM 1339 CA ASP A 84 2.945 7.257 -6.531 1.00 0.00 C ATOM 1340 C ASP A 84 3.112 8.570 -7.297 1.00 0.00 C ATOM 1341 O ASP A 84 3.873 9.436 -6.906 1.00 0.00 O ATOM 1342 CB ASP A 84 3.855 6.191 -7.145 1.00 0.00 C ATOM 1343 CG ASP A 84 5.241 6.272 -6.500 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.309 6.238 -5.284 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.210 6.365 -7.236 1.00 0.00 O ATOM 0 H ASP A 84 1.379 5.930 -7.116 1.00 0.00 H new ATOM 0 HA ASP A 84 3.214 7.403 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.428 5.200 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.934 6.341 -8.222 1.00 0.00 H new ATOM 1350 N ALA A 85 2.401 8.718 -8.384 1.00 0.00 N ATOM 1351 CA ALA A 85 2.502 9.969 -9.191 1.00 0.00 C ATOM 1352 C ALA A 85 1.697 11.091 -8.521 1.00 0.00 C ATOM 1353 O ALA A 85 1.930 12.259 -8.776 1.00 0.00 O ATOM 1354 CB ALA A 85 1.949 9.714 -10.594 1.00 0.00 C ATOM 0 H ALA A 85 1.751 8.022 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 85 3.548 10.270 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.022 10.627 -11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.526 8.924 -11.074 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.905 9.410 -10.524 1.00 0.00 H new ATOM 1360 N GLN A 86 0.751 10.752 -7.675 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.066 11.802 -7.001 1.00 0.00 C ATOM 1362 C GLN A 86 0.610 12.254 -5.693 1.00 0.00 C ATOM 1363 O GLN A 86 -0.006 12.911 -4.874 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.456 11.228 -6.691 1.00 0.00 C ATOM 1365 CG GLN A 86 -2.497 11.860 -7.618 1.00 0.00 C ATOM 1366 CD GLN A 86 -2.567 11.067 -8.925 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -1.647 11.099 -9.718 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -3.627 10.351 -9.185 1.00 0.00 N ATOM 0 H GLN A 86 0.513 9.792 -7.425 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.156 12.665 -7.660 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.450 10.146 -6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.716 11.423 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.473 11.869 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -2.234 12.898 -7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.400 10.324 -8.520 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.683 9.819 -10.053 1.00 0.00 H new ATOM 1377 N GLY A 87 1.863 11.914 -5.487 1.00 0.00 N ATOM 1378 CA GLY A 87 2.557 12.332 -4.234 1.00 0.00 C ATOM 1379 C GLY A 87 2.003 11.531 -3.055 1.00 0.00 C ATOM 1380 O GLY A 87 1.961 12.006 -1.936 1.00 0.00 O ATOM 0 H GLY A 87 2.430 11.366 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.630 12.167 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.412 13.399 -4.063 1.00 0.00 H new ATOM 1384 N VAL A 88 1.578 10.320 -3.303 1.00 0.00 N ATOM 1385 CA VAL A 88 1.021 9.474 -2.208 1.00 0.00 C ATOM 1386 C VAL A 88 2.044 8.403 -1.824 1.00 0.00 C ATOM 1387 O VAL A 88 2.834 7.969 -2.640 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.267 8.810 -2.697 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -0.917 8.028 -1.554 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.237 9.887 -3.189 1.00 0.00 C ATOM 0 H VAL A 88 1.593 9.879 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 88 0.804 10.090 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.031 8.125 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.834 7.558 -1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.229 7.260 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.152 8.708 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.156 9.417 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.467 10.570 -2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.780 10.442 -4.008 1.00 0.00 H new ATOM 1400 N SER A 89 2.039 7.986 -0.582 1.00 0.00 N ATOM 1401 CA SER A 89 3.016 6.951 -0.135 1.00 0.00 C ATOM 1402 C SER A 89 2.282 5.657 0.223 1.00 0.00 C ATOM 1403 O SER A 89 1.704 5.537 1.287 1.00 0.00 O ATOM 1404 CB SER A 89 3.771 7.463 1.091 1.00 0.00 C ATOM 1405 OG SER A 89 4.919 8.187 0.668 1.00 0.00 O ATOM 0 H SER A 89 1.400 8.319 0.140 1.00 0.00 H new ATOM 0 HA SER A 89 3.719 6.750 -0.943 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.123 8.103 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.067 6.627 1.725 1.00 0.00 H new ATOM 0 HG SER A 89 5.404 8.518 1.452 1.00 0.00 H new ATOM 1411 N ILE A 90 2.312 4.684 -0.653 1.00 0.00 N ATOM 1412 CA ILE A 90 1.628 3.389 -0.366 1.00 0.00 C ATOM 1413 C ILE A 90 2.512 2.562 0.568 1.00 0.00 C ATOM 1414 O ILE A 90 3.509 1.998 0.159 1.00 0.00 O ATOM 1415 CB ILE A 90 1.393 2.629 -1.674 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.566 3.509 -2.624 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.640 1.322 -1.382 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.291 2.755 -3.929 1.00 0.00 C ATOM 0 H ILE A 90 2.782 4.732 -1.557 1.00 0.00 H new ATOM 0 HA ILE A 90 0.665 3.574 0.109 1.00 0.00 H new ATOM 0 HB ILE A 90 2.349 2.390 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.375 3.787 -2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.102 4.435 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.473 0.782 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.231 0.705 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.320 1.551 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.296 3.386 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.236 2.500 -4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.264 1.842 -3.712 1.00 0.00 H new ATOM 1430 N ARG A 91 2.153 2.499 1.819 1.00 0.00 N ATOM 1431 CA ARG A 91 2.963 1.724 2.804 1.00 0.00 C ATOM 1432 C ARG A 91 2.472 0.275 2.854 1.00 0.00 C ATOM 1433 O ARG A 91 1.286 0.015 2.895 1.00 0.00 O ATOM 1434 CB ARG A 91 2.816 2.350 4.198 1.00 0.00 C ATOM 1435 CG ARG A 91 3.009 3.868 4.117 1.00 0.00 C ATOM 1436 CD ARG A 91 3.804 4.353 5.331 1.00 0.00 C ATOM 1437 NE ARG A 91 4.525 5.617 4.984 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.022 6.404 5.918 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.906 6.116 7.195 1.00 0.00 N ATOM 1440 NH2 ARG A 91 5.644 7.496 5.567 1.00 0.00 N ATOM 0 H ARG A 91 1.327 2.954 2.206 1.00 0.00 H new ATOM 0 HA ARG A 91 4.009 1.745 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.831 2.122 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.550 1.918 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.535 4.129 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.040 4.366 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.134 4.524 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.517 3.589 5.641 1.00 0.00 H new ATOM 0 HE ARG A 91 4.635 5.876 4.003 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.422 5.266 7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.300 6.742 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.741 7.733 4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.033 8.113 6.280 1.00 0.00 H new ATOM 1454 N PHE A 92 3.381 -0.669 2.869 1.00 0.00 N ATOM 1455 CA PHE A 92 2.974 -2.102 2.939 1.00 0.00 C ATOM 1456 C PHE A 92 3.026 -2.548 4.403 1.00 0.00 C ATOM 1457 O PHE A 92 3.953 -2.232 5.127 1.00 0.00 O ATOM 1458 CB PHE A 92 3.921 -2.954 2.086 1.00 0.00 C ATOM 1459 CG PHE A 92 3.269 -3.265 0.757 1.00 0.00 C ATOM 1460 CD1 PHE A 92 2.924 -2.223 -0.117 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.007 -4.592 0.397 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.320 -2.511 -1.346 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.403 -4.879 -0.834 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.060 -3.839 -1.705 1.00 0.00 C ATOM 0 H PHE A 92 4.387 -0.506 2.836 1.00 0.00 H new ATOM 0 HA PHE A 92 1.962 -2.227 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.859 -2.423 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.163 -3.879 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.125 -1.198 0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.271 -5.395 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.054 -1.708 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.202 -5.903 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.595 -4.061 -2.654 1.00 0.00 H new ATOM 1474 N ILE A 93 2.019 -3.251 4.853 1.00 0.00 N ATOM 1475 CA ILE A 93 1.962 -3.697 6.283 1.00 0.00 C ATOM 1476 C ILE A 93 3.280 -4.352 6.737 1.00 0.00 C ATOM 1477 O ILE A 93 3.765 -4.071 7.818 1.00 0.00 O ATOM 1478 CB ILE A 93 0.804 -4.692 6.457 1.00 0.00 C ATOM 1479 CG1 ILE A 93 0.728 -5.145 7.928 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.028 -5.906 5.544 1.00 0.00 C ATOM 1481 CD1 ILE A 93 -0.395 -6.166 8.113 1.00 0.00 C ATOM 0 H ILE A 93 1.222 -3.540 4.285 1.00 0.00 H new ATOM 0 HA ILE A 93 1.803 -2.815 6.904 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.135 -4.209 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.680 -5.582 8.230 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.555 -4.283 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.206 -6.611 5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.070 -5.577 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.967 -6.392 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.436 -6.476 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.347 -5.715 7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.204 -7.035 7.483 1.00 0.00 H new ATOM 1493 N ASP A 94 3.838 -5.241 5.951 1.00 0.00 N ATOM 1494 CA ASP A 94 5.092 -5.925 6.387 1.00 0.00 C ATOM 1495 C ASP A 94 6.240 -5.635 5.412 1.00 0.00 C ATOM 1496 O ASP A 94 7.009 -6.519 5.078 1.00 0.00 O ATOM 1497 CB ASP A 94 4.841 -7.434 6.445 1.00 0.00 C ATOM 1498 CG ASP A 94 4.298 -7.809 7.825 1.00 0.00 C ATOM 1499 OD1 ASP A 94 3.089 -7.782 7.991 1.00 0.00 O ATOM 1500 OD2 ASP A 94 5.099 -8.114 8.694 1.00 0.00 O ATOM 0 H ASP A 94 3.483 -5.519 5.036 1.00 0.00 H new ATOM 0 HA ASP A 94 5.374 -5.550 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.130 -7.725 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.766 -7.975 6.247 1.00 0.00 H new ATOM 1505 N ASP A 95 6.374 -4.411 4.962 1.00 0.00 N ATOM 1506 CA ASP A 95 7.487 -4.087 4.016 1.00 0.00 C ATOM 1507 C ASP A 95 7.673 -2.573 3.910 1.00 0.00 C ATOM 1508 O ASP A 95 8.781 -2.071 3.970 1.00 0.00 O ATOM 1509 CB ASP A 95 7.155 -4.645 2.629 1.00 0.00 C ATOM 1510 CG ASP A 95 7.745 -6.050 2.485 1.00 0.00 C ATOM 1511 OD1 ASP A 95 8.955 -6.152 2.366 1.00 0.00 O ATOM 1512 OD2 ASP A 95 6.977 -6.998 2.495 1.00 0.00 O ATOM 0 H ASP A 95 5.767 -3.629 5.206 1.00 0.00 H new ATOM 0 HA ASP A 95 8.407 -4.536 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.075 -4.677 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.558 -3.990 1.857 1.00 0.00 H new ATOM 1517 N GLY A 96 6.602 -1.845 3.729 1.00 0.00 N ATOM 1518 CA GLY A 96 6.709 -0.362 3.587 1.00 0.00 C ATOM 1519 C GLY A 96 6.670 -0.009 2.097 1.00 0.00 C ATOM 1520 O GLY A 96 6.123 1.001 1.699 1.00 0.00 O ATOM 0 H GLY A 96 5.653 -2.216 3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.890 0.128 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.636 -0.005 4.036 1.00 0.00 H new ATOM 1524 N ILE A 97 7.244 -0.849 1.273 1.00 0.00 N ATOM 1525 CA ILE A 97 7.251 -0.603 -0.196 1.00 0.00 C ATOM 1526 C ILE A 97 7.427 -1.944 -0.911 1.00 0.00 C ATOM 1527 O ILE A 97 7.455 -2.985 -0.282 1.00 0.00 O ATOM 1528 CB ILE A 97 8.411 0.328 -0.565 1.00 0.00 C ATOM 1529 CG1 ILE A 97 9.718 -0.211 0.039 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.132 1.732 -0.022 1.00 0.00 C ATOM 1531 CD1 ILE A 97 10.837 -0.140 -1.002 1.00 0.00 C ATOM 0 H ILE A 97 7.714 -1.706 1.563 1.00 0.00 H new ATOM 0 HA ILE A 97 6.314 -0.134 -0.496 1.00 0.00 H new ATOM 0 HB ILE A 97 8.509 0.373 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 97 9.990 0.371 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 97 9.580 -1.241 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.957 2.394 -0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.208 2.113 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.032 1.689 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 97 11.761 -0.523 -0.569 1.00 0.00 H new ATOM 0 HD12 ILE A 97 10.566 -0.742 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 97 10.982 0.895 -1.310 1.00 0.00 H new ATOM 1543 N SER A 98 7.548 -1.930 -2.214 1.00 0.00 N ATOM 1544 CA SER A 98 7.726 -3.210 -2.963 1.00 0.00 C ATOM 1545 C SER A 98 7.928 -2.914 -4.453 1.00 0.00 C ATOM 1546 O SER A 98 9.039 -2.917 -4.946 1.00 0.00 O ATOM 1547 CB SER A 98 6.490 -4.092 -2.771 1.00 0.00 C ATOM 1548 OG SER A 98 6.716 -4.989 -1.691 1.00 0.00 O ATOM 0 H SER A 98 7.531 -1.089 -2.791 1.00 0.00 H new ATOM 0 HA SER A 98 8.603 -3.733 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.616 -3.474 -2.568 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.281 -4.649 -3.684 1.00 0.00 H new ATOM 0 HG SER A 98 6.933 -4.479 -0.882 1.00 0.00 H new ATOM 1554 N THR A 99 6.861 -2.661 -5.173 1.00 0.00 N ATOM 1555 CA THR A 99 6.989 -2.364 -6.626 1.00 0.00 C ATOM 1556 C THR A 99 7.234 -0.864 -6.816 1.00 0.00 C ATOM 1557 O THR A 99 6.496 -0.186 -7.508 1.00 0.00 O ATOM 1558 CB THR A 99 5.702 -2.782 -7.349 1.00 0.00 C ATOM 1559 OG1 THR A 99 5.803 -2.445 -8.724 1.00 0.00 O ATOM 1560 CG2 THR A 99 4.503 -2.060 -6.732 1.00 0.00 C ATOM 0 H THR A 99 5.907 -2.649 -4.812 1.00 0.00 H new ATOM 0 HA THR A 99 7.828 -2.920 -7.044 1.00 0.00 H new ATOM 0 HB THR A 99 5.564 -3.858 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.850 -1.471 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.592 -2.360 -7.249 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.424 -2.322 -5.677 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.637 -0.983 -6.830 1.00 0.00 H new ATOM 1568 N ASP A 100 8.266 -0.345 -6.202 1.00 0.00 N ATOM 1569 CA ASP A 100 8.573 1.108 -6.336 1.00 0.00 C ATOM 1570 C ASP A 100 9.098 1.378 -7.748 1.00 0.00 C ATOM 1571 O ASP A 100 10.260 1.686 -7.945 1.00 0.00 O ATOM 1572 CB ASP A 100 9.630 1.501 -5.301 1.00 0.00 C ATOM 1573 CG ASP A 100 9.796 3.022 -5.288 1.00 0.00 C ATOM 1574 OD1 ASP A 100 10.176 3.565 -6.311 1.00 0.00 O ATOM 1575 OD2 ASP A 100 9.539 3.617 -4.255 1.00 0.00 O ATOM 0 H ASP A 100 8.911 -0.869 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 100 7.672 1.697 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.334 1.149 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.581 1.023 -5.538 1.00 0.00 H new ATOM 1580 N GLY A 101 8.246 1.255 -8.734 1.00 0.00 N ATOM 1581 CA GLY A 101 8.678 1.492 -10.141 1.00 0.00 C ATOM 1582 C GLY A 101 9.691 0.418 -10.544 1.00 0.00 C ATOM 1583 O GLY A 101 10.773 0.717 -11.013 1.00 0.00 O ATOM 0 H GLY A 101 7.265 0.999 -8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.816 1.465 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.123 2.482 -10.235 1.00 0.00 H new ATOM 1587 N GLU A 102 9.344 -0.830 -10.359 1.00 0.00 N ATOM 1588 CA GLU A 102 10.278 -1.938 -10.723 1.00 0.00 C ATOM 1589 C GLU A 102 10.563 -1.903 -12.225 1.00 0.00 C ATOM 1590 O GLU A 102 9.683 -2.113 -13.039 1.00 0.00 O ATOM 1591 CB GLU A 102 9.648 -3.286 -10.352 1.00 0.00 C ATOM 1592 CG GLU A 102 8.214 -3.368 -10.900 1.00 0.00 C ATOM 1593 CD GLU A 102 8.008 -4.705 -11.619 1.00 0.00 C ATOM 1594 OE1 GLU A 102 7.795 -5.694 -10.939 1.00 0.00 O ATOM 1595 OE2 GLU A 102 8.070 -4.714 -12.839 1.00 0.00 O ATOM 0 H GLU A 102 8.450 -1.130 -9.970 1.00 0.00 H new ATOM 0 HA GLU A 102 11.213 -1.812 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.248 -4.101 -10.758 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.639 -3.406 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.497 -3.269 -10.085 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.030 -2.543 -11.588 1.00 0.00 H new ATOM 1602 N MET A 103 11.791 -1.639 -12.597 1.00 0.00 N ATOM 1603 CA MET A 103 12.149 -1.591 -14.046 1.00 0.00 C ATOM 1604 C MET A 103 13.671 -1.659 -14.197 1.00 0.00 C ATOM 1605 O MET A 103 14.234 -1.111 -15.125 1.00 0.00 O ATOM 1606 CB MET A 103 11.637 -0.282 -14.654 1.00 0.00 C ATOM 1607 CG MET A 103 10.208 -0.481 -15.165 1.00 0.00 C ATOM 1608 SD MET A 103 9.907 0.625 -16.567 1.00 0.00 S ATOM 1609 CE MET A 103 8.400 1.396 -15.926 1.00 0.00 C ATOM 0 H MET A 103 12.563 -1.454 -11.956 1.00 0.00 H new ATOM 0 HA MET A 103 11.693 -2.436 -14.561 1.00 0.00 H new ATOM 0 HB2 MET A 103 11.660 0.512 -13.907 1.00 0.00 H new ATOM 0 HB3 MET A 103 12.287 0.030 -15.472 1.00 0.00 H new ATOM 0 HG2 MET A 103 10.060 -1.518 -15.468 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.494 -0.277 -14.367 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.032 2.129 -16.644 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.640 0.631 -15.766 1.00 0.00 H new ATOM 0 HE3 MET A 103 8.619 1.893 -14.981 1.00 0.00 H new ATOM 1619 N GLY A 104 14.337 -2.331 -13.291 1.00 0.00 N ATOM 1620 CA GLY A 104 15.825 -2.439 -13.373 1.00 0.00 C ATOM 1621 C GLY A 104 16.307 -3.557 -12.448 1.00 0.00 C ATOM 1622 O GLY A 104 16.987 -4.472 -12.871 1.00 0.00 O ATOM 0 H GLY A 104 13.913 -2.810 -12.497 1.00 0.00 H new ATOM 0 HA2 GLY A 104 16.129 -2.645 -14.399 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.285 -1.493 -13.088 1.00 0.00 H new ATOM 1626 N LYS A 105 15.958 -3.488 -11.188 1.00 0.00 N ATOM 1627 CA LYS A 105 16.391 -4.542 -10.226 1.00 0.00 C ATOM 1628 C LYS A 105 15.683 -4.332 -8.885 1.00 0.00 C ATOM 1629 O LYS A 105 14.505 -4.643 -8.804 1.00 0.00 O ATOM 1630 CB LYS A 105 17.906 -4.458 -10.022 1.00 0.00 C ATOM 1631 CG LYS A 105 18.287 -3.035 -9.609 1.00 0.00 C ATOM 1632 CD LYS A 105 19.704 -3.034 -9.029 1.00 0.00 C ATOM 1633 CE LYS A 105 20.707 -2.677 -10.129 1.00 0.00 C ATOM 1634 NZ LYS A 105 21.212 -3.926 -10.764 1.00 0.00 N ATOM 0 H LYS A 105 15.390 -2.743 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 105 16.133 -5.523 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 105 18.220 -5.167 -9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 105 18.423 -4.732 -10.941 1.00 0.00 H new ATOM 0 HG2 LYS A 105 18.235 -2.369 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 105 17.580 -2.658 -8.870 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.773 -2.316 -8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 105 19.938 -4.014 -8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.232 -2.042 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.537 -2.109 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 22.192 -4.097 -10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 20.616 -4.728 -10.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 21.181 -3.827 -11.799 1.00 0.00 H new TER 1648 LYS A 105