USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 778 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0162) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0967 USER MOD Single : A 10 TYR OH : rot -130:sc= -1.39 USER MOD Single : A 13 SER OG : rot 150:sc= 0.0158 USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0585) USER MOD Single : A 16 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 17 GLN : amide:sc= -0.107 X(o=-0.11,f=0.042) USER MOD Single : A 18 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.05! C(o=-2.1!,f=-3.8!) USER MOD Single : A 20 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.13) USER MOD Single : A 22 MET CE :methyl -132:sc= -0.558 (180deg=-4.67!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= -0.0165 (180deg=-0.138) USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= -0.675 (180deg=-3.71!) USER MOD Single : A 47 SER OG : rot -56:sc= 0.586 USER MOD Single : A 49 SER OG : rot -34:sc= 0.38 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0268) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.2) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.423 5.758 1.727 1.00 4.24 N ATOM 2 CA MET A 1 -12.979 5.885 1.427 1.00 33.33 C ATOM 3 C MET A 1 -12.373 4.504 1.143 1.00 61.12 C ATOM 4 O MET A 1 -12.023 3.782 2.070 1.00 73.24 O ATOM 5 CB MET A 1 -12.216 6.573 2.596 1.00 43.12 C ATOM 6 CG MET A 1 -12.627 8.021 2.881 1.00 13.40 C ATOM 7 SD MET A 1 -12.251 9.134 1.511 1.00 33.40 S ATOM 8 CE MET A 1 -12.795 10.707 2.177 1.00 42.54 C ATOM 0 H1 MET A 1 -14.840 6.705 1.834 1.00 4.24 H new ATOM 0 H2 MET A 1 -14.897 5.257 0.948 1.00 4.24 H new ATOM 0 H3 MET A 1 -14.548 5.223 2.610 1.00 4.24 H new ATOM 0 HA MET A 1 -12.875 6.511 0.541 1.00 33.33 H new ATOM 0 HB2 MET A 1 -12.365 5.985 3.502 1.00 43.12 H new ATOM 0 HB3 MET A 1 -11.149 6.552 2.374 1.00 43.12 H new ATOM 0 HG2 MET A 1 -13.696 8.057 3.090 1.00 13.40 H new ATOM 0 HG3 MET A 1 -12.115 8.370 3.778 1.00 13.40 H new ATOM 0 HE1 MET A 1 -12.625 11.492 1.441 1.00 42.54 H new ATOM 0 HE2 MET A 1 -13.858 10.654 2.412 1.00 42.54 H new ATOM 0 HE3 MET A 1 -12.233 10.932 3.084 1.00 42.54 H new ATOM 20 N ARG A 2 -12.334 4.119 -0.142 1.00 34.33 N ATOM 21 CA ARG A 2 -11.490 3.014 -0.639 1.00 63.12 C ATOM 22 C ARG A 2 -10.687 3.554 -1.825 1.00 35.14 C ATOM 23 O ARG A 2 -11.264 3.975 -2.837 1.00 22.32 O ATOM 24 CB ARG A 2 -12.330 1.770 -1.060 1.00 2.21 C ATOM 25 CG ARG A 2 -12.947 0.983 0.116 1.00 3.12 C ATOM 26 CD ARG A 2 -13.693 -0.288 -0.334 1.00 31.34 C ATOM 27 NE ARG A 2 -14.058 -1.145 0.810 1.00 1.34 N ATOM 28 CZ ARG A 2 -14.084 -2.493 0.795 1.00 51.31 C ATOM 29 NH1 ARG A 2 -13.762 -3.173 -0.301 1.00 4.43 N ATOM 30 NH2 ARG A 2 -14.428 -3.155 1.887 1.00 51.45 N ATOM 0 H ARG A 2 -12.889 4.566 -0.872 1.00 34.33 H new ATOM 0 HA ARG A 2 -10.830 2.673 0.159 1.00 63.12 H new ATOM 0 HB2 ARG A 2 -13.132 2.097 -1.722 1.00 2.21 H new ATOM 0 HB3 ARG A 2 -11.695 1.097 -1.637 1.00 2.21 H new ATOM 0 HG2 ARG A 2 -12.157 0.706 0.814 1.00 3.12 H new ATOM 0 HG3 ARG A 2 -13.637 1.630 0.656 1.00 3.12 H new ATOM 0 HD2 ARG A 2 -14.594 -0.006 -0.879 1.00 31.34 H new ATOM 0 HD3 ARG A 2 -13.066 -0.852 -1.025 1.00 31.34 H new ATOM 0 HE ARG A 2 -14.311 -0.681 1.682 1.00 1.34 H new ATOM 0 HH11 ARG A 2 -13.490 -2.675 -1.149 1.00 4.43 H new ATOM 0 HH12 ARG A 2 -13.787 -4.193 -0.294 1.00 4.43 H new ATOM 0 HH21 ARG A 2 -14.672 -2.646 2.736 1.00 51.45 H new ATOM 0 HH22 ARG A 2 -14.449 -4.175 1.880 1.00 51.45 H new ATOM 44 N ILE A 3 -9.363 3.544 -1.680 1.00 11.21 N ATOM 45 CA ILE A 3 -8.429 4.122 -2.655 1.00 3.41 C ATOM 46 C ILE A 3 -7.691 2.967 -3.351 1.00 51.52 C ATOM 47 O ILE A 3 -7.125 2.105 -2.679 1.00 13.34 O ATOM 48 CB ILE A 3 -7.426 5.108 -1.931 1.00 51.51 C ATOM 49 CG1 ILE A 3 -8.237 6.194 -1.138 1.00 34.12 C ATOM 50 CG2 ILE A 3 -6.430 5.750 -2.933 1.00 20.24 C ATOM 51 CD1 ILE A 3 -7.404 7.151 -0.308 1.00 54.53 C ATOM 0 H ILE A 3 -8.899 3.129 -0.872 1.00 11.21 H new ATOM 0 HA ILE A 3 -8.964 4.706 -3.404 1.00 3.41 H new ATOM 0 HB ILE A 3 -6.824 4.538 -1.223 1.00 51.51 H new ATOM 0 HG12 ILE A 3 -8.826 6.774 -1.849 1.00 34.12 H new ATOM 0 HG13 ILE A 3 -8.942 5.687 -0.479 1.00 34.12 H new ATOM 0 HG21 ILE A 3 -5.758 6.421 -2.398 1.00 20.24 H new ATOM 0 HG22 ILE A 3 -5.849 4.967 -3.421 1.00 20.24 H new ATOM 0 HG23 ILE A 3 -6.983 6.314 -3.685 1.00 20.24 H new ATOM 0 HD11 ILE A 3 -8.060 7.859 0.198 1.00 54.53 H new ATOM 0 HD12 ILE A 3 -6.835 6.590 0.433 1.00 54.53 H new ATOM 0 HD13 ILE A 3 -6.717 7.693 -0.958 1.00 54.53 H new ATOM 63 N LYS A 4 -7.677 2.969 -4.694 1.00 3.04 N ATOM 64 CA LYS A 4 -7.184 1.823 -5.479 1.00 4.35 C ATOM 65 C LYS A 4 -5.668 1.954 -5.662 1.00 61.40 C ATOM 66 O LYS A 4 -5.192 2.960 -6.187 1.00 33.15 O ATOM 67 CB LYS A 4 -7.883 1.768 -6.866 1.00 40.40 C ATOM 68 CG LYS A 4 -7.434 0.600 -7.767 1.00 15.41 C ATOM 69 CD LYS A 4 -8.162 0.605 -9.132 1.00 60.23 C ATOM 70 CE LYS A 4 -7.697 -0.528 -10.053 1.00 61.40 C ATOM 71 NZ LYS A 4 -8.423 -0.548 -11.354 1.00 70.21 N ATOM 0 H LYS A 4 -8.002 3.753 -5.261 1.00 3.04 H new ATOM 0 HA LYS A 4 -7.412 0.901 -4.945 1.00 4.35 H new ATOM 0 HB2 LYS A 4 -8.960 1.698 -6.713 1.00 40.40 H new ATOM 0 HB3 LYS A 4 -7.696 2.706 -7.389 1.00 40.40 H new ATOM 0 HG2 LYS A 4 -6.358 0.662 -7.930 1.00 15.41 H new ATOM 0 HG3 LYS A 4 -7.626 -0.345 -7.258 1.00 15.41 H new ATOM 0 HD2 LYS A 4 -9.236 0.516 -8.967 1.00 60.23 H new ATOM 0 HD3 LYS A 4 -7.993 1.562 -9.626 1.00 60.23 H new ATOM 0 HE2 LYS A 4 -6.628 -0.423 -10.240 1.00 61.40 H new ATOM 0 HE3 LYS A 4 -7.840 -1.483 -9.547 1.00 61.40 H new ATOM 0 HZ1 LYS A 4 -8.069 -1.333 -11.937 1.00 70.21 H new ATOM 0 HZ2 LYS A 4 -9.441 -0.676 -11.182 1.00 70.21 H new ATOM 0 HZ3 LYS A 4 -8.267 0.351 -11.853 1.00 70.21 H new ATOM 85 N GLY A 5 -4.934 0.935 -5.191 1.00 74.31 N ATOM 86 CA GLY A 5 -3.479 0.885 -5.278 1.00 10.25 C ATOM 87 C GLY A 5 -3.001 -0.406 -5.907 1.00 11.11 C ATOM 88 O GLY A 5 -3.789 -1.333 -6.100 1.00 34.42 O ATOM 0 H GLY A 5 -5.343 0.119 -4.736 1.00 74.31 H new ATOM 0 HA2 GLY A 5 -3.120 1.731 -5.865 1.00 10.25 H new ATOM 0 HA3 GLY A 5 -3.051 0.984 -4.281 1.00 10.25 H new ATOM 92 N VAL A 6 -1.701 -0.458 -6.228 1.00 45.35 N ATOM 93 CA VAL A 6 -1.050 -1.615 -6.873 1.00 22.34 C ATOM 94 C VAL A 6 0.260 -1.933 -6.135 1.00 43.43 C ATOM 95 O VAL A 6 1.043 -1.021 -5.846 1.00 53.31 O ATOM 96 CB VAL A 6 -0.739 -1.326 -8.393 1.00 25.32 C ATOM 97 CG1 VAL A 6 0.021 -2.494 -9.056 1.00 30.11 C ATOM 98 CG2 VAL A 6 -2.029 -1.005 -9.174 1.00 15.41 C ATOM 0 H VAL A 6 -1.059 0.313 -6.045 1.00 45.35 H new ATOM 0 HA VAL A 6 -1.730 -2.465 -6.822 1.00 22.34 H new ATOM 0 HB VAL A 6 -0.091 -0.450 -8.425 1.00 25.32 H new ATOM 0 HG11 VAL A 6 0.215 -2.255 -10.102 1.00 30.11 H new ATOM 0 HG12 VAL A 6 0.967 -2.653 -8.538 1.00 30.11 H new ATOM 0 HG13 VAL A 6 -0.582 -3.400 -8.997 1.00 30.11 H new ATOM 0 HG21 VAL A 6 -1.783 -0.810 -10.218 1.00 15.41 H new ATOM 0 HG22 VAL A 6 -2.711 -1.853 -9.114 1.00 15.41 H new ATOM 0 HG23 VAL A 6 -2.506 -0.124 -8.743 1.00 15.41 H new ATOM 108 N VAL A 7 0.484 -3.228 -5.838 1.00 63.11 N ATOM 109 CA VAL A 7 1.729 -3.718 -5.232 1.00 13.52 C ATOM 110 C VAL A 7 2.880 -3.623 -6.252 1.00 31.53 C ATOM 111 O VAL A 7 2.956 -4.425 -7.194 1.00 72.44 O ATOM 112 CB VAL A 7 1.579 -5.200 -4.716 1.00 43.41 C ATOM 113 CG1 VAL A 7 2.884 -5.717 -4.053 1.00 1.45 C ATOM 114 CG2 VAL A 7 0.373 -5.312 -3.758 1.00 22.15 C ATOM 0 H VAL A 7 -0.200 -3.964 -6.014 1.00 63.11 H new ATOM 0 HA VAL A 7 1.955 -3.090 -4.370 1.00 13.52 H new ATOM 0 HB VAL A 7 1.394 -5.840 -5.578 1.00 43.41 H new ATOM 0 HG11 VAL A 7 2.737 -6.742 -3.711 1.00 1.45 H new ATOM 0 HG12 VAL A 7 3.697 -5.689 -4.779 1.00 1.45 H new ATOM 0 HG13 VAL A 7 3.136 -5.084 -3.202 1.00 1.45 H new ATOM 0 HG21 VAL A 7 0.280 -6.340 -3.409 1.00 22.15 H new ATOM 0 HG22 VAL A 7 0.524 -4.651 -2.905 1.00 22.15 H new ATOM 0 HG23 VAL A 7 -0.537 -5.024 -4.284 1.00 22.15 H new ATOM 124 N LEU A 8 3.722 -2.593 -6.084 1.00 63.14 N ATOM 125 CA LEU A 8 4.937 -2.409 -6.888 1.00 31.51 C ATOM 126 C LEU A 8 5.975 -3.474 -6.499 1.00 44.43 C ATOM 127 O LEU A 8 6.465 -4.226 -7.351 1.00 1.51 O ATOM 128 CB LEU A 8 5.532 -0.986 -6.683 1.00 64.14 C ATOM 129 CG LEU A 8 4.617 0.225 -7.051 1.00 73.51 C ATOM 130 CD1 LEU A 8 5.344 1.564 -6.779 1.00 24.43 C ATOM 131 CD2 LEU A 8 4.111 0.134 -8.512 1.00 73.11 C ATOM 0 H LEU A 8 3.579 -1.864 -5.386 1.00 63.14 H new ATOM 0 HA LEU A 8 4.677 -2.518 -7.941 1.00 31.51 H new ATOM 0 HB2 LEU A 8 5.820 -0.887 -5.637 1.00 64.14 H new ATOM 0 HB3 LEU A 8 6.445 -0.912 -7.274 1.00 64.14 H new ATOM 0 HG LEU A 8 3.737 0.188 -6.409 1.00 73.51 H new ATOM 0 HD11 LEU A 8 4.688 2.394 -7.042 1.00 24.43 H new ATOM 0 HD12 LEU A 8 5.605 1.628 -5.723 1.00 24.43 H new ATOM 0 HD13 LEU A 8 6.252 1.614 -7.380 1.00 24.43 H new ATOM 0 HD21 LEU A 8 3.478 0.993 -8.732 1.00 73.11 H new ATOM 0 HD22 LEU A 8 4.963 0.127 -9.192 1.00 73.11 H new ATOM 0 HD23 LEU A 8 3.536 -0.783 -8.642 1.00 73.11 H new ATOM 143 N SER A 9 6.274 -3.548 -5.190 1.00 55.11 N ATOM 144 CA SER A 9 7.299 -4.458 -4.656 1.00 41.51 C ATOM 145 C SER A 9 7.075 -4.727 -3.158 1.00 40.33 C ATOM 146 O SER A 9 6.249 -4.078 -2.508 1.00 71.34 O ATOM 147 CB SER A 9 8.712 -3.876 -4.902 1.00 54.11 C ATOM 148 OG SER A 9 9.732 -4.789 -4.525 1.00 2.12 O ATOM 0 H SER A 9 5.814 -2.982 -4.477 1.00 55.11 H new ATOM 0 HA SER A 9 7.217 -5.410 -5.181 1.00 41.51 H new ATOM 0 HB2 SER A 9 8.822 -3.623 -5.957 1.00 54.11 H new ATOM 0 HB3 SER A 9 8.827 -2.950 -4.339 1.00 54.11 H new ATOM 0 HG SER A 9 10.610 -4.388 -4.696 1.00 2.12 H new ATOM 154 N TYR A 10 7.812 -5.722 -2.634 1.00 73.00 N ATOM 155 CA TYR A 10 7.872 -6.041 -1.203 1.00 71.32 C ATOM 156 C TYR A 10 9.242 -5.610 -0.658 1.00 63.11 C ATOM 157 O TYR A 10 10.254 -5.732 -1.357 1.00 52.14 O ATOM 158 CB TYR A 10 7.699 -7.565 -0.964 1.00 14.44 C ATOM 159 CG TYR A 10 6.465 -8.190 -1.630 1.00 61.03 C ATOM 160 CD1 TYR A 10 5.182 -7.972 -1.126 1.00 34.24 C ATOM 161 CD2 TYR A 10 6.586 -9.002 -2.764 1.00 31.33 C ATOM 162 CE1 TYR A 10 4.075 -8.539 -1.726 1.00 62.21 C ATOM 163 CE2 TYR A 10 5.477 -9.569 -3.364 1.00 52.23 C ATOM 164 CZ TYR A 10 4.228 -9.334 -2.843 1.00 64.53 C ATOM 165 OH TYR A 10 3.127 -9.895 -3.440 1.00 31.32 O ATOM 0 H TYR A 10 8.392 -6.336 -3.206 1.00 73.00 H new ATOM 0 HA TYR A 10 7.065 -5.513 -0.694 1.00 71.32 H new ATOM 0 HB2 TYR A 10 8.589 -8.078 -1.328 1.00 14.44 H new ATOM 0 HB3 TYR A 10 7.644 -7.745 0.110 1.00 14.44 H new ATOM 0 HD1 TYR A 10 5.053 -7.350 -0.253 1.00 34.24 H new ATOM 0 HD2 TYR A 10 7.566 -9.189 -3.179 1.00 31.33 H new ATOM 0 HE1 TYR A 10 3.090 -8.360 -1.321 1.00 62.21 H new ATOM 0 HE2 TYR A 10 5.592 -10.193 -4.238 1.00 52.23 H new ATOM 0 HH TYR A 10 3.281 -10.853 -3.575 1.00 31.32 H new ATOM 175 N ARG A 11 9.258 -5.105 0.572 1.00 35.42 N ATOM 176 CA ARG A 11 10.487 -4.848 1.330 1.00 4.13 C ATOM 177 C ARG A 11 10.282 -5.423 2.733 1.00 23.23 C ATOM 178 O ARG A 11 9.243 -5.204 3.333 1.00 31.51 O ATOM 179 CB ARG A 11 10.800 -3.323 1.391 1.00 71.11 C ATOM 180 CG ARG A 11 11.949 -2.950 2.358 1.00 63.25 C ATOM 181 CD ARG A 11 12.211 -1.441 2.459 1.00 52.33 C ATOM 182 NE ARG A 11 13.125 -1.130 3.580 1.00 3.15 N ATOM 183 CZ ARG A 11 14.118 -0.222 3.561 1.00 73.13 C ATOM 184 NH1 ARG A 11 14.363 0.509 2.476 1.00 51.40 N ATOM 185 NH2 ARG A 11 14.856 -0.033 4.648 1.00 62.33 N ATOM 0 H ARG A 11 8.409 -4.858 1.080 1.00 35.42 H new ATOM 0 HA ARG A 11 11.340 -5.321 0.844 1.00 4.13 H new ATOM 0 HB2 ARG A 11 11.055 -2.976 0.390 1.00 71.11 H new ATOM 0 HB3 ARG A 11 9.898 -2.790 1.693 1.00 71.11 H new ATOM 0 HG2 ARG A 11 11.715 -3.336 3.350 1.00 63.25 H new ATOM 0 HG3 ARG A 11 12.862 -3.446 2.030 1.00 63.25 H new ATOM 0 HD2 ARG A 11 12.642 -1.081 1.525 1.00 52.33 H new ATOM 0 HD3 ARG A 11 11.267 -0.914 2.599 1.00 52.33 H new ATOM 0 HE ARG A 11 12.990 -1.651 4.446 1.00 3.15 H new ATOM 0 HH11 ARG A 11 13.793 0.386 1.639 1.00 51.40 H new ATOM 0 HH12 ARG A 11 15.120 1.192 2.482 1.00 51.40 H new ATOM 0 HH21 ARG A 11 14.669 -0.575 5.492 1.00 62.33 H new ATOM 0 HH22 ARG A 11 15.610 0.654 4.639 1.00 62.33 H new ATOM 199 N ARG A 12 11.266 -6.168 3.244 1.00 23.15 N ATOM 200 CA ARG A 12 11.217 -6.718 4.610 1.00 21.42 C ATOM 201 C ARG A 12 11.464 -5.575 5.613 1.00 22.21 C ATOM 202 O ARG A 12 12.101 -4.568 5.258 1.00 3.13 O ATOM 203 CB ARG A 12 12.281 -7.849 4.775 1.00 31.33 C ATOM 204 CG ARG A 12 13.755 -7.378 4.795 1.00 53.45 C ATOM 205 CD ARG A 12 14.753 -8.549 4.873 1.00 13.51 C ATOM 206 NE ARG A 12 14.791 -9.324 3.618 1.00 62.34 N ATOM 207 CZ ARG A 12 14.847 -10.663 3.519 1.00 34.54 C ATOM 208 NH1 ARG A 12 14.861 -11.443 4.603 1.00 74.22 N ATOM 209 NH2 ARG A 12 14.895 -11.216 2.316 1.00 72.33 N ATOM 0 H ARG A 12 12.114 -6.408 2.731 1.00 23.15 H new ATOM 0 HA ARG A 12 10.237 -7.156 4.801 1.00 21.42 H new ATOM 0 HB2 ARG A 12 12.076 -8.384 5.702 1.00 31.33 H new ATOM 0 HB3 ARG A 12 12.157 -8.563 3.961 1.00 31.33 H new ATOM 0 HG2 ARG A 12 13.957 -6.793 3.898 1.00 53.45 H new ATOM 0 HG3 ARG A 12 13.909 -6.717 5.648 1.00 53.45 H new ATOM 0 HD2 ARG A 12 15.749 -8.163 5.092 1.00 13.51 H new ATOM 0 HD3 ARG A 12 14.477 -9.207 5.698 1.00 13.51 H new ATOM 0 HE ARG A 12 14.773 -8.795 2.746 1.00 62.34 H new ATOM 0 HH11 ARG A 12 14.829 -11.025 5.533 1.00 74.22 H new ATOM 0 HH12 ARG A 12 14.904 -12.457 4.501 1.00 74.22 H new ATOM 0 HH21 ARG A 12 14.889 -10.627 1.483 1.00 72.33 H new ATOM 0 HH22 ARG A 12 14.938 -12.231 2.223 1.00 72.33 H new ATOM 223 N SER A 13 10.940 -5.705 6.851 1.00 53.14 N ATOM 224 CA SER A 13 11.243 -4.735 7.915 1.00 31.43 C ATOM 225 C SER A 13 12.739 -4.830 8.235 1.00 60.24 C ATOM 226 O SER A 13 13.509 -3.997 7.735 1.00 70.15 O ATOM 227 CB SER A 13 10.375 -4.951 9.176 1.00 32.04 C ATOM 228 OG SER A 13 10.653 -3.984 10.196 1.00 1.15 O ATOM 0 H SER A 13 10.315 -6.461 7.131 1.00 53.14 H new ATOM 0 HA SER A 13 11.000 -3.732 7.564 1.00 31.43 H new ATOM 0 HB2 SER A 13 9.321 -4.896 8.903 1.00 32.04 H new ATOM 0 HB3 SER A 13 10.551 -5.952 9.569 1.00 32.04 H new ATOM 0 HG SER A 13 9.844 -3.825 10.725 1.00 1.15 H new ATOM 234 N LYS A 14 13.153 -5.885 8.998 1.00 11.23 N ATOM 235 CA LYS A 14 14.559 -6.062 9.430 1.00 75.44 C ATOM 236 C LYS A 14 15.032 -4.734 10.088 1.00 45.21 C ATOM 237 O LYS A 14 16.049 -4.139 9.717 1.00 25.12 O ATOM 238 CB LYS A 14 15.431 -6.515 8.207 1.00 75.54 C ATOM 239 CG LYS A 14 16.919 -6.831 8.496 1.00 75.04 C ATOM 240 CD LYS A 14 17.666 -7.286 7.214 1.00 61.31 C ATOM 241 CE LYS A 14 19.188 -7.368 7.393 1.00 33.20 C ATOM 242 NZ LYS A 14 19.801 -6.023 7.583 1.00 33.52 N ATOM 0 H LYS A 14 12.526 -6.622 9.322 1.00 11.23 H new ATOM 0 HA LYS A 14 14.662 -6.850 10.176 1.00 75.44 H new ATOM 0 HB2 LYS A 14 14.972 -7.403 7.772 1.00 75.54 H new ATOM 0 HB3 LYS A 14 15.390 -5.732 7.450 1.00 75.54 H new ATOM 0 HG2 LYS A 14 17.406 -5.947 8.907 1.00 75.04 H new ATOM 0 HG3 LYS A 14 16.985 -7.612 9.253 1.00 75.04 H new ATOM 0 HD2 LYS A 14 17.290 -8.263 6.911 1.00 61.31 H new ATOM 0 HD3 LYS A 14 17.440 -6.592 6.405 1.00 61.31 H new ATOM 0 HE2 LYS A 14 19.419 -7.996 8.253 1.00 33.20 H new ATOM 0 HE3 LYS A 14 19.630 -7.848 6.520 1.00 33.20 H new ATOM 0 HZ1 LYS A 14 20.837 -6.108 7.564 1.00 33.52 H new ATOM 0 HZ2 LYS A 14 19.492 -5.389 6.818 1.00 33.52 H new ATOM 0 HZ3 LYS A 14 19.502 -5.632 8.499 1.00 33.52 H new ATOM 256 N GLU A 15 14.220 -4.279 11.059 1.00 42.24 N ATOM 257 CA GLU A 15 14.228 -2.892 11.554 1.00 42.33 C ATOM 258 C GLU A 15 13.512 -2.830 12.912 1.00 51.23 C ATOM 259 O GLU A 15 14.100 -2.434 13.921 1.00 23.31 O ATOM 260 CB GLU A 15 13.527 -1.980 10.493 1.00 60.21 C ATOM 261 CG GLU A 15 13.155 -0.552 10.942 1.00 74.40 C ATOM 262 CD GLU A 15 12.501 0.284 9.825 1.00 52.23 C ATOM 263 OE1 GLU A 15 11.528 -0.201 9.193 1.00 21.11 O ATOM 264 OE2 GLU A 15 12.965 1.410 9.545 1.00 41.21 O ATOM 0 H GLU A 15 13.533 -4.871 11.526 1.00 42.24 H new ATOM 0 HA GLU A 15 15.249 -2.538 11.699 1.00 42.33 H new ATOM 0 HB2 GLU A 15 14.182 -1.904 9.625 1.00 60.21 H new ATOM 0 HB3 GLU A 15 12.617 -2.480 10.163 1.00 60.21 H new ATOM 0 HG2 GLU A 15 12.473 -0.611 11.790 1.00 74.40 H new ATOM 0 HG3 GLU A 15 14.053 -0.042 11.290 1.00 74.40 H new ATOM 271 N ASN A 16 12.237 -3.245 12.915 1.00 20.52 N ATOM 272 CA ASN A 16 11.368 -3.220 14.105 1.00 10.44 C ATOM 273 C ASN A 16 10.841 -4.645 14.373 1.00 33.22 C ATOM 274 O ASN A 16 11.155 -5.252 15.406 1.00 23.20 O ATOM 275 CB ASN A 16 10.212 -2.199 13.891 1.00 2.24 C ATOM 276 CG ASN A 16 9.270 -2.079 15.101 1.00 51.55 C ATOM 277 OD1 ASN A 16 8.246 -2.744 15.174 1.00 23.12 O ATOM 278 ND2 ASN A 16 9.621 -1.248 16.068 1.00 62.24 N ATOM 0 H ASN A 16 11.773 -3.612 12.084 1.00 20.52 H new ATOM 0 HA ASN A 16 11.930 -2.896 14.981 1.00 10.44 H new ATOM 0 HB2 ASN A 16 10.638 -1.220 13.673 1.00 2.24 H new ATOM 0 HB3 ASN A 16 9.632 -2.496 13.017 1.00 2.24 H new ATOM 0 HD21 ASN A 16 9.033 -1.152 16.896 1.00 62.24 H new ATOM 0 HD22 ASN A 16 10.479 -0.703 15.986 1.00 62.24 H new ATOM 285 N GLN A 17 10.087 -5.188 13.399 1.00 24.52 N ATOM 286 CA GLN A 17 9.451 -6.524 13.480 1.00 13.45 C ATOM 287 C GLN A 17 9.820 -7.375 12.251 1.00 31.21 C ATOM 288 O GLN A 17 10.757 -7.054 11.515 1.00 4.04 O ATOM 289 CB GLN A 17 7.900 -6.368 13.636 1.00 72.21 C ATOM 290 CG GLN A 17 7.438 -5.882 15.025 1.00 51.32 C ATOM 291 CD GLN A 17 7.789 -6.860 16.152 1.00 13.15 C ATOM 292 OE1 GLN A 17 8.858 -6.780 16.754 1.00 0.22 O ATOM 293 NE2 GLN A 17 6.899 -7.803 16.439 1.00 1.44 N ATOM 0 H GLN A 17 9.897 -4.707 12.520 1.00 24.52 H new ATOM 0 HA GLN A 17 9.826 -7.048 14.359 1.00 13.45 H new ATOM 0 HB2 GLN A 17 7.541 -5.666 12.883 1.00 72.21 H new ATOM 0 HB3 GLN A 17 7.429 -7.328 13.427 1.00 72.21 H new ATOM 0 HG2 GLN A 17 7.895 -4.915 15.236 1.00 51.32 H new ATOM 0 HG3 GLN A 17 6.359 -5.728 15.009 1.00 51.32 H new ATOM 0 HE21 GLN A 17 6.019 -7.848 15.925 1.00 1.44 H new ATOM 0 HE22 GLN A 17 7.095 -8.483 17.174 1.00 1.44 H new ATOM 302 N HIS A 18 9.105 -8.502 12.081 1.00 73.42 N ATOM 303 CA HIS A 18 9.247 -9.407 10.919 1.00 21.43 C ATOM 304 C HIS A 18 8.154 -9.103 9.869 1.00 43.12 C ATOM 305 O HIS A 18 8.002 -9.845 8.895 1.00 10.02 O ATOM 306 CB HIS A 18 9.178 -10.898 11.380 1.00 64.22 C ATOM 307 CG HIS A 18 10.325 -11.356 12.253 1.00 60.44 C ATOM 308 ND1 HIS A 18 10.814 -12.640 12.223 1.00 22.20 N ATOM 309 CD2 HIS A 18 11.055 -10.712 13.202 1.00 41.10 C ATOM 310 CE1 HIS A 18 11.787 -12.761 13.099 1.00 33.22 C ATOM 311 NE2 HIS A 18 11.953 -11.609 13.710 1.00 21.20 N ATOM 0 H HIS A 18 8.404 -8.816 12.752 1.00 73.42 H new ATOM 0 HA HIS A 18 10.220 -9.239 10.458 1.00 21.43 H new ATOM 0 HB2 HIS A 18 8.245 -11.051 11.923 1.00 64.22 H new ATOM 0 HB3 HIS A 18 9.139 -11.534 10.495 1.00 64.22 H new ATOM 0 HD2 HIS A 18 10.945 -9.680 13.500 1.00 41.10 H new ATOM 0 HE1 HIS A 18 12.356 -13.659 13.286 1.00 33.22 H new ATOM 0 HE2 HIS A 18 12.638 -11.416 14.441 1.00 21.20 H new ATOM 320 N ASN A 19 7.416 -7.989 10.078 1.00 71.44 N ATOM 321 CA ASN A 19 6.380 -7.486 9.151 1.00 0.14 C ATOM 322 C ASN A 19 7.015 -7.025 7.823 1.00 24.42 C ATOM 323 O ASN A 19 8.199 -6.673 7.786 1.00 44.21 O ATOM 324 CB ASN A 19 5.611 -6.295 9.804 1.00 1.34 C ATOM 325 CG ASN A 19 4.879 -6.660 11.104 1.00 14.35 C ATOM 326 OD1 ASN A 19 5.316 -7.517 11.870 1.00 3.51 O ATOM 327 ND2 ASN A 19 3.764 -6.008 11.361 1.00 42.24 N ATOM 0 H ASN A 19 7.526 -7.407 10.908 1.00 71.44 H new ATOM 0 HA ASN A 19 5.683 -8.298 8.944 1.00 0.14 H new ATOM 0 HB2 ASN A 19 6.317 -5.490 10.010 1.00 1.34 H new ATOM 0 HB3 ASN A 19 4.886 -5.908 9.088 1.00 1.34 H new ATOM 0 HD21 ASN A 19 3.240 -6.209 12.213 1.00 42.24 H new ATOM 0 HD22 ASN A 19 3.424 -5.302 10.708 1.00 42.24 H new ATOM 334 N ASN A 20 6.235 -7.031 6.733 1.00 22.11 N ATOM 335 CA ASN A 20 6.711 -6.559 5.417 1.00 71.13 C ATOM 336 C ASN A 20 6.231 -5.116 5.191 1.00 21.20 C ATOM 337 O ASN A 20 5.037 -4.824 5.334 1.00 52.25 O ATOM 338 CB ASN A 20 6.208 -7.489 4.286 1.00 34.14 C ATOM 339 CG ASN A 20 6.825 -7.183 2.916 1.00 24.42 C ATOM 340 OD1 ASN A 20 6.312 -6.370 2.146 1.00 52.30 O ATOM 341 ND2 ASN A 20 7.936 -7.839 2.601 1.00 51.53 N ATOM 0 H ASN A 20 5.269 -7.358 6.733 1.00 22.11 H new ATOM 0 HA ASN A 20 7.801 -6.580 5.402 1.00 71.13 H new ATOM 0 HB2 ASN A 20 6.430 -8.523 4.552 1.00 34.14 H new ATOM 0 HB3 ASN A 20 5.124 -7.404 4.213 1.00 34.14 H new ATOM 0 HD21 ASN A 20 8.387 -7.675 1.701 1.00 51.53 H new ATOM 0 HD22 ASN A 20 8.338 -8.507 3.259 1.00 51.53 H new ATOM 348 N VAL A 21 7.185 -4.229 4.862 1.00 72.23 N ATOM 349 CA VAL A 21 6.910 -2.848 4.443 1.00 2.12 C ATOM 350 C VAL A 21 6.735 -2.883 2.911 1.00 42.14 C ATOM 351 O VAL A 21 7.709 -3.012 2.164 1.00 74.34 O ATOM 352 CB VAL A 21 8.099 -1.872 4.827 1.00 42.14 C ATOM 353 CG1 VAL A 21 7.715 -0.397 4.551 1.00 30.14 C ATOM 354 CG2 VAL A 21 8.545 -2.072 6.298 1.00 63.42 C ATOM 0 H VAL A 21 8.179 -4.455 4.880 1.00 72.23 H new ATOM 0 HA VAL A 21 6.019 -2.473 4.947 1.00 2.12 H new ATOM 0 HB VAL A 21 8.950 -2.121 4.193 1.00 42.14 H new ATOM 0 HG11 VAL A 21 8.547 0.253 4.823 1.00 30.14 H new ATOM 0 HG12 VAL A 21 7.488 -0.272 3.492 1.00 30.14 H new ATOM 0 HG13 VAL A 21 6.839 -0.132 5.144 1.00 30.14 H new ATOM 0 HG21 VAL A 21 9.361 -1.387 6.527 1.00 63.42 H new ATOM 0 HG22 VAL A 21 7.705 -1.871 6.963 1.00 63.42 H new ATOM 0 HG23 VAL A 21 8.882 -3.099 6.440 1.00 63.42 H new ATOM 364 N MET A 22 5.488 -2.783 2.450 1.00 42.15 N ATOM 365 CA MET A 22 5.146 -2.989 1.036 1.00 71.12 C ATOM 366 C MET A 22 5.146 -1.658 0.278 1.00 73.51 C ATOM 367 O MET A 22 4.541 -0.675 0.732 1.00 63.54 O ATOM 368 CB MET A 22 3.768 -3.675 0.931 1.00 52.33 C ATOM 369 CG MET A 22 3.295 -3.952 -0.501 1.00 50.30 C ATOM 370 SD MET A 22 1.708 -4.795 -0.557 1.00 44.51 S ATOM 371 CE MET A 22 2.082 -6.289 0.355 1.00 14.15 C ATOM 0 H MET A 22 4.687 -2.558 3.040 1.00 42.15 H new ATOM 0 HA MET A 22 5.899 -3.633 0.581 1.00 71.12 H new ATOM 0 HB2 MET A 22 3.805 -4.619 1.475 1.00 52.33 H new ATOM 0 HB3 MET A 22 3.027 -3.049 1.429 1.00 52.33 H new ATOM 0 HG2 MET A 22 3.220 -3.009 -1.043 1.00 50.30 H new ATOM 0 HG3 MET A 22 4.042 -4.557 -1.015 1.00 50.30 H new ATOM 0 HE1 MET A 22 1.718 -7.154 -0.199 1.00 14.15 H new ATOM 0 HE2 MET A 22 3.160 -6.372 0.490 1.00 14.15 H new ATOM 0 HE3 MET A 22 1.596 -6.252 1.330 1.00 14.15 H new ATOM 381 N ILE A 23 5.849 -1.642 -0.868 1.00 43.23 N ATOM 382 CA ILE A 23 5.867 -0.505 -1.792 1.00 61.12 C ATOM 383 C ILE A 23 4.597 -0.566 -2.666 1.00 44.34 C ATOM 384 O ILE A 23 4.494 -1.396 -3.575 1.00 71.40 O ATOM 385 CB ILE A 23 7.160 -0.510 -2.699 1.00 4.42 C ATOM 386 CG1 ILE A 23 8.458 -0.690 -1.840 1.00 5.34 C ATOM 387 CG2 ILE A 23 7.240 0.775 -3.560 1.00 61.32 C ATOM 388 CD1 ILE A 23 8.679 0.375 -0.779 1.00 62.33 C ATOM 0 H ILE A 23 6.424 -2.426 -1.177 1.00 43.23 H new ATOM 0 HA ILE A 23 5.886 0.420 -1.216 1.00 61.12 H new ATOM 0 HB ILE A 23 7.087 -1.364 -3.373 1.00 4.42 H new ATOM 0 HG12 ILE A 23 8.421 -1.664 -1.353 1.00 5.34 H new ATOM 0 HG13 ILE A 23 9.319 -0.700 -2.508 1.00 5.34 H new ATOM 0 HG21 ILE A 23 8.140 0.746 -4.175 1.00 61.32 H new ATOM 0 HG22 ILE A 23 6.362 0.837 -4.204 1.00 61.32 H new ATOM 0 HG23 ILE A 23 7.274 1.648 -2.908 1.00 61.32 H new ATOM 0 HD11 ILE A 23 9.601 0.164 -0.238 1.00 62.33 H new ATOM 0 HD12 ILE A 23 8.753 1.353 -1.255 1.00 62.33 H new ATOM 0 HD13 ILE A 23 7.841 0.373 -0.082 1.00 62.33 H new ATOM 400 N ILE A 24 3.614 0.274 -2.326 1.00 10.11 N ATOM 401 CA ILE A 24 2.331 0.385 -3.044 1.00 62.25 C ATOM 402 C ILE A 24 2.295 1.719 -3.799 1.00 31.22 C ATOM 403 O ILE A 24 2.890 2.690 -3.350 1.00 55.30 O ATOM 404 CB ILE A 24 1.121 0.300 -2.032 1.00 5.01 C ATOM 405 CG1 ILE A 24 1.156 -1.051 -1.255 1.00 45.12 C ATOM 406 CG2 ILE A 24 -0.247 0.503 -2.735 1.00 1.34 C ATOM 407 CD1 ILE A 24 0.125 -1.175 -0.149 1.00 40.10 C ATOM 0 H ILE A 24 3.685 0.909 -1.531 1.00 10.11 H new ATOM 0 HA ILE A 24 2.241 -0.440 -3.751 1.00 62.25 H new ATOM 0 HB ILE A 24 1.233 1.117 -1.319 1.00 5.01 H new ATOM 0 HG12 ILE A 24 1.008 -1.866 -1.964 1.00 45.12 H new ATOM 0 HG13 ILE A 24 2.149 -1.180 -0.824 1.00 45.12 H new ATOM 0 HG21 ILE A 24 -1.048 0.436 -1.999 1.00 1.34 H new ATOM 0 HG22 ILE A 24 -0.271 1.484 -3.209 1.00 1.34 H new ATOM 0 HG23 ILE A 24 -0.385 -0.269 -3.492 1.00 1.34 H new ATOM 0 HD11 ILE A 24 0.225 -2.147 0.335 1.00 40.10 H new ATOM 0 HD12 ILE A 24 0.283 -0.386 0.586 1.00 40.10 H new ATOM 0 HD13 ILE A 24 -0.875 -1.082 -0.572 1.00 40.10 H new ATOM 419 N LYS A 25 1.631 1.749 -4.961 1.00 40.15 N ATOM 420 CA LYS A 25 1.291 2.993 -5.664 1.00 65.30 C ATOM 421 C LYS A 25 -0.236 3.098 -5.763 1.00 31.41 C ATOM 422 O LYS A 25 -0.838 2.375 -6.567 1.00 1.13 O ATOM 423 CB LYS A 25 1.916 3.041 -7.077 1.00 42.23 C ATOM 424 CG LYS A 25 1.608 4.337 -7.871 1.00 4.01 C ATOM 425 CD LYS A 25 2.254 4.337 -9.272 1.00 30.13 C ATOM 426 CE LYS A 25 3.791 4.254 -9.222 1.00 44.15 C ATOM 427 NZ LYS A 25 4.389 4.163 -10.581 1.00 32.22 N ATOM 0 H LYS A 25 1.313 0.908 -5.442 1.00 40.15 H new ATOM 0 HA LYS A 25 1.696 3.834 -5.101 1.00 65.30 H new ATOM 0 HB2 LYS A 25 2.997 2.933 -6.987 1.00 42.23 H new ATOM 0 HB3 LYS A 25 1.557 2.185 -7.649 1.00 42.23 H new ATOM 0 HG2 LYS A 25 0.529 4.450 -7.972 1.00 4.01 H new ATOM 0 HG3 LYS A 25 1.968 5.199 -7.308 1.00 4.01 H new ATOM 0 HD2 LYS A 25 1.868 3.494 -9.845 1.00 30.13 H new ATOM 0 HD3 LYS A 25 1.961 5.243 -9.802 1.00 30.13 H new ATOM 0 HE2 LYS A 25 4.185 5.132 -8.711 1.00 44.15 H new ATOM 0 HE3 LYS A 25 4.088 3.384 -8.636 1.00 44.15 H new ATOM 0 HZ1 LYS A 25 5.425 4.109 -10.502 1.00 32.22 H new ATOM 0 HZ2 LYS A 25 4.034 3.311 -11.060 1.00 32.22 H new ATOM 0 HZ3 LYS A 25 4.127 5.005 -11.132 1.00 32.22 H new ATOM 441 N PRO A 26 -0.894 3.937 -4.907 1.00 71.34 N ATOM 442 CA PRO A 26 -2.305 4.291 -5.111 1.00 75.54 C ATOM 443 C PRO A 26 -2.456 5.032 -6.461 1.00 24.42 C ATOM 444 O PRO A 26 -1.918 6.121 -6.627 1.00 4.43 O ATOM 445 CB PRO A 26 -2.664 5.169 -3.877 1.00 31.43 C ATOM 446 CG PRO A 26 -1.347 5.631 -3.316 1.00 10.02 C ATOM 447 CD PRO A 26 -0.327 4.572 -3.684 1.00 42.31 C ATOM 0 HA PRO A 26 -2.979 3.436 -5.174 1.00 75.54 H new ATOM 0 HB2 PRO A 26 -3.286 6.016 -4.166 1.00 31.43 H new ATOM 0 HB3 PRO A 26 -3.226 4.597 -3.139 1.00 31.43 H new ATOM 0 HG2 PRO A 26 -1.067 6.600 -3.730 1.00 10.02 H new ATOM 0 HG3 PRO A 26 -1.407 5.752 -2.234 1.00 10.02 H new ATOM 0 HD2 PRO A 26 0.652 5.011 -3.879 1.00 42.31 H new ATOM 0 HD3 PRO A 26 -0.197 3.847 -2.881 1.00 42.31 H new ATOM 455 N LEU A 27 -3.117 4.373 -7.434 1.00 30.51 N ATOM 456 CA LEU A 27 -3.314 4.895 -8.813 1.00 42.15 C ATOM 457 C LEU A 27 -3.988 6.284 -8.822 1.00 53.52 C ATOM 458 O LEU A 27 -3.725 7.109 -9.709 1.00 54.11 O ATOM 459 CB LEU A 27 -4.160 3.891 -9.643 1.00 32.32 C ATOM 460 CG LEU A 27 -3.534 2.481 -9.858 1.00 31.42 C ATOM 461 CD1 LEU A 27 -4.476 1.570 -10.668 1.00 0.43 C ATOM 462 CD2 LEU A 27 -2.134 2.577 -10.512 1.00 54.33 C ATOM 0 H LEU A 27 -3.535 3.454 -7.289 1.00 30.51 H new ATOM 0 HA LEU A 27 -2.328 5.008 -9.263 1.00 42.15 H new ATOM 0 HB2 LEU A 27 -5.125 3.767 -9.151 1.00 32.32 H new ATOM 0 HB3 LEU A 27 -4.355 4.332 -10.620 1.00 32.32 H new ATOM 0 HG LEU A 27 -3.402 2.026 -8.877 1.00 31.42 H new ATOM 0 HD11 LEU A 27 -4.011 0.593 -10.802 1.00 0.43 H new ATOM 0 HD12 LEU A 27 -5.418 1.453 -10.133 1.00 0.43 H new ATOM 0 HD13 LEU A 27 -4.666 2.018 -11.643 1.00 0.43 H new ATOM 0 HD21 LEU A 27 -1.726 1.575 -10.648 1.00 54.33 H new ATOM 0 HD22 LEU A 27 -2.218 3.069 -11.481 1.00 54.33 H new ATOM 0 HD23 LEU A 27 -1.471 3.155 -9.868 1.00 54.33 H new ATOM 474 N ASP A 28 -4.855 6.512 -7.824 1.00 61.32 N ATOM 475 CA ASP A 28 -5.589 7.783 -7.636 1.00 11.44 C ATOM 476 C ASP A 28 -4.643 8.934 -7.215 1.00 51.43 C ATOM 477 O ASP A 28 -4.856 10.099 -7.577 1.00 23.13 O ATOM 478 CB ASP A 28 -6.683 7.551 -6.551 1.00 22.11 C ATOM 479 CG ASP A 28 -7.528 8.796 -6.227 1.00 22.33 C ATOM 480 OD1 ASP A 28 -8.459 9.106 -6.998 1.00 24.30 O ATOM 481 OD2 ASP A 28 -7.278 9.465 -5.202 1.00 42.55 O ATOM 0 H ASP A 28 -5.072 5.813 -7.113 1.00 61.32 H new ATOM 0 HA ASP A 28 -6.044 8.080 -8.581 1.00 11.44 H new ATOM 0 HB2 ASP A 28 -7.346 6.753 -6.885 1.00 22.11 H new ATOM 0 HB3 ASP A 28 -6.203 7.204 -5.636 1.00 22.11 H new ATOM 486 N VAL A 29 -3.567 8.578 -6.505 1.00 74.42 N ATOM 487 CA VAL A 29 -2.625 9.531 -5.897 1.00 21.32 C ATOM 488 C VAL A 29 -1.297 9.538 -6.681 1.00 13.53 C ATOM 489 O VAL A 29 -0.611 8.513 -6.760 1.00 43.33 O ATOM 490 CB VAL A 29 -2.376 9.152 -4.394 1.00 62.41 C ATOM 491 CG1 VAL A 29 -1.360 10.095 -3.730 1.00 62.04 C ATOM 492 CG2 VAL A 29 -3.705 9.102 -3.595 1.00 52.40 C ATOM 0 H VAL A 29 -3.320 7.604 -6.332 1.00 74.42 H new ATOM 0 HA VAL A 29 -3.055 10.532 -5.938 1.00 21.32 H new ATOM 0 HB VAL A 29 -1.945 8.151 -4.381 1.00 62.41 H new ATOM 0 HG11 VAL A 29 -1.215 9.800 -2.691 1.00 62.04 H new ATOM 0 HG12 VAL A 29 -0.409 10.037 -4.260 1.00 62.04 H new ATOM 0 HG13 VAL A 29 -1.734 11.118 -3.768 1.00 62.04 H new ATOM 0 HG21 VAL A 29 -3.497 8.837 -2.558 1.00 52.40 H new ATOM 0 HG22 VAL A 29 -4.187 10.079 -3.630 1.00 52.40 H new ATOM 0 HG23 VAL A 29 -4.366 8.355 -4.035 1.00 52.40 H new ATOM 502 N ASN A 30 -0.942 10.693 -7.264 1.00 13.41 N ATOM 503 CA ASN A 30 0.261 10.839 -8.119 1.00 54.11 C ATOM 504 C ASN A 30 1.223 11.904 -7.563 1.00 22.31 C ATOM 505 O ASN A 30 2.255 12.200 -8.179 1.00 14.34 O ATOM 506 CB ASN A 30 -0.159 11.190 -9.573 1.00 32.53 C ATOM 507 CG ASN A 30 -1.162 10.207 -10.202 1.00 41.44 C ATOM 508 OD1 ASN A 30 -2.018 10.608 -10.996 1.00 3.24 O ATOM 509 ND2 ASN A 30 -1.058 8.918 -9.887 1.00 32.15 N ATOM 0 H ASN A 30 -1.476 11.556 -7.160 1.00 13.41 H new ATOM 0 HA ASN A 30 0.791 9.887 -8.121 1.00 54.11 H new ATOM 0 HB2 ASN A 30 -0.595 12.189 -9.581 1.00 32.53 H new ATOM 0 HB3 ASN A 30 0.734 11.227 -10.197 1.00 32.53 H new ATOM 0 HD21 ASN A 30 -1.694 8.238 -10.304 1.00 32.15 H new ATOM 0 HD22 ASN A 30 -0.343 8.610 -9.228 1.00 32.15 H new ATOM 516 N SER A 31 0.903 12.455 -6.385 1.00 44.42 N ATOM 517 CA SER A 31 1.707 13.506 -5.740 1.00 61.32 C ATOM 518 C SER A 31 1.979 13.125 -4.277 1.00 65.34 C ATOM 519 O SER A 31 1.123 12.505 -3.629 1.00 3.43 O ATOM 520 CB SER A 31 0.963 14.857 -5.827 1.00 70.21 C ATOM 521 OG SER A 31 0.461 15.079 -7.130 1.00 3.22 O ATOM 0 H SER A 31 0.078 12.185 -5.850 1.00 44.42 H new ATOM 0 HA SER A 31 2.663 13.604 -6.255 1.00 61.32 H new ATOM 0 HB2 SER A 31 0.142 14.870 -5.110 1.00 70.21 H new ATOM 0 HB3 SER A 31 1.639 15.666 -5.552 1.00 70.21 H new ATOM 0 HG SER A 31 -0.007 15.940 -7.158 1.00 3.22 H new ATOM 527 N ARG A 32 3.178 13.499 -3.778 1.00 41.23 N ATOM 528 CA ARG A 32 3.611 13.230 -2.388 1.00 64.52 C ATOM 529 C ARG A 32 2.651 13.865 -1.372 1.00 55.53 C ATOM 530 O ARG A 32 2.268 13.204 -0.424 1.00 64.05 O ATOM 531 CB ARG A 32 5.052 13.762 -2.110 1.00 41.42 C ATOM 532 CG ARG A 32 5.577 13.512 -0.672 1.00 44.15 C ATOM 533 CD ARG A 32 6.982 14.088 -0.423 1.00 41.43 C ATOM 534 NE ARG A 32 7.365 13.931 0.985 1.00 14.45 N ATOM 535 CZ ARG A 32 8.365 14.575 1.606 1.00 44.12 C ATOM 536 NH1 ARG A 32 9.135 15.455 0.970 1.00 63.20 N ATOM 537 NH2 ARG A 32 8.564 14.353 2.897 1.00 50.14 N ATOM 0 H ARG A 32 3.876 13.998 -4.330 1.00 41.23 H new ATOM 0 HA ARG A 32 3.605 12.146 -2.273 1.00 64.52 H new ATOM 0 HB2 ARG A 32 5.738 13.296 -2.817 1.00 41.42 H new ATOM 0 HB3 ARG A 32 5.072 14.834 -2.307 1.00 41.42 H new ATOM 0 HG2 ARG A 32 4.881 13.952 0.042 1.00 44.15 H new ATOM 0 HG3 ARG A 32 5.594 12.439 -0.481 1.00 44.15 H new ATOM 0 HD2 ARG A 32 7.706 13.581 -1.061 1.00 41.43 H new ATOM 0 HD3 ARG A 32 7.001 15.143 -0.695 1.00 41.43 H new ATOM 0 HE ARG A 32 6.821 13.272 1.542 1.00 14.45 H new ATOM 0 HH11 ARG A 32 8.972 15.656 -0.017 1.00 63.20 H new ATOM 0 HH12 ARG A 32 9.888 15.929 1.469 1.00 63.20 H new ATOM 0 HH21 ARG A 32 7.962 13.702 3.401 1.00 50.14 H new ATOM 0 HH22 ARG A 32 9.319 14.833 3.387 1.00 50.14 H new ATOM 551 N GLU A 33 2.283 15.156 -1.596 1.00 23.11 N ATOM 552 CA GLU A 33 1.458 15.954 -0.648 1.00 0.31 C ATOM 553 C GLU A 33 0.088 15.298 -0.393 1.00 24.53 C ATOM 554 O GLU A 33 -0.385 15.253 0.755 1.00 51.13 O ATOM 555 CB GLU A 33 1.278 17.413 -1.155 1.00 53.55 C ATOM 556 CG GLU A 33 2.596 18.204 -1.280 1.00 63.43 C ATOM 557 CD GLU A 33 2.356 19.683 -1.619 1.00 73.21 C ATOM 558 OE1 GLU A 33 2.089 19.991 -2.796 1.00 0.21 O ATOM 559 OE2 GLU A 33 2.399 20.535 -0.710 1.00 60.00 O ATOM 0 H GLU A 33 2.549 15.671 -2.436 1.00 23.11 H new ATOM 0 HA GLU A 33 1.995 15.982 0.300 1.00 0.31 H new ATOM 0 HB2 GLU A 33 0.787 17.390 -2.128 1.00 53.55 H new ATOM 0 HB3 GLU A 33 0.612 17.943 -0.474 1.00 53.55 H new ATOM 0 HG2 GLU A 33 3.150 18.133 -0.344 1.00 63.43 H new ATOM 0 HG3 GLU A 33 3.217 17.752 -2.053 1.00 63.43 H new ATOM 566 N GLU A 34 -0.502 14.755 -1.477 1.00 41.15 N ATOM 567 CA GLU A 34 -1.779 14.014 -1.426 1.00 51.12 C ATOM 568 C GLU A 34 -1.633 12.795 -0.499 1.00 53.23 C ATOM 569 O GLU A 34 -2.421 12.600 0.418 1.00 12.31 O ATOM 570 CB GLU A 34 -2.187 13.543 -2.846 1.00 64.44 C ATOM 571 CG GLU A 34 -2.238 14.644 -3.907 1.00 53.44 C ATOM 572 CD GLU A 34 -2.645 14.111 -5.292 1.00 12.31 C ATOM 573 OE1 GLU A 34 -1.973 13.193 -5.809 1.00 2.51 O ATOM 574 OE2 GLU A 34 -3.642 14.597 -5.861 1.00 33.02 O ATOM 0 H GLU A 34 -0.106 14.818 -2.415 1.00 41.15 H new ATOM 0 HA GLU A 34 -2.554 14.676 -1.039 1.00 51.12 H new ATOM 0 HB2 GLU A 34 -1.484 12.777 -3.173 1.00 64.44 H new ATOM 0 HB3 GLU A 34 -3.168 13.071 -2.787 1.00 64.44 H new ATOM 0 HG2 GLU A 34 -2.946 15.412 -3.595 1.00 53.44 H new ATOM 0 HG3 GLU A 34 -1.260 15.121 -3.978 1.00 53.44 H new ATOM 581 N ALA A 35 -0.560 12.021 -0.737 1.00 62.21 N ATOM 582 CA ALA A 35 -0.231 10.809 0.028 1.00 74.33 C ATOM 583 C ALA A 35 0.262 11.143 1.458 1.00 21.44 C ATOM 584 O ALA A 35 0.124 10.323 2.371 1.00 11.32 O ATOM 585 CB ALA A 35 0.825 10.001 -0.742 1.00 33.01 C ATOM 0 H ALA A 35 0.112 12.224 -1.477 1.00 62.21 H new ATOM 0 HA ALA A 35 -1.137 10.214 0.142 1.00 74.33 H new ATOM 0 HB1 ALA A 35 1.074 9.100 -0.181 1.00 33.01 H new ATOM 0 HB2 ALA A 35 0.429 9.722 -1.719 1.00 33.01 H new ATOM 0 HB3 ALA A 35 1.722 10.606 -0.874 1.00 33.01 H new ATOM 591 N SER A 36 0.791 12.368 1.642 1.00 45.31 N ATOM 592 CA SER A 36 1.425 12.807 2.901 1.00 71.25 C ATOM 593 C SER A 36 0.368 13.055 3.981 1.00 13.23 C ATOM 594 O SER A 36 0.576 12.734 5.150 1.00 12.15 O ATOM 595 CB SER A 36 2.264 14.086 2.671 1.00 30.22 C ATOM 596 OG SER A 36 2.955 14.474 3.844 1.00 0.33 O ATOM 0 H SER A 36 0.791 13.085 0.917 1.00 45.31 H new ATOM 0 HA SER A 36 2.089 12.012 3.242 1.00 71.25 H new ATOM 0 HB2 SER A 36 2.979 13.913 1.867 1.00 30.22 H new ATOM 0 HB3 SER A 36 1.611 14.897 2.348 1.00 30.22 H new ATOM 0 HG SER A 36 3.476 15.284 3.664 1.00 0.33 H new ATOM 602 N LYS A 37 -0.772 13.636 3.578 1.00 11.45 N ATOM 603 CA LYS A 37 -1.935 13.796 4.474 1.00 52.22 C ATOM 604 C LYS A 37 -2.709 12.463 4.621 1.00 64.35 C ATOM 605 O LYS A 37 -3.576 12.333 5.484 1.00 61.21 O ATOM 606 CB LYS A 37 -2.861 14.931 3.961 1.00 70.51 C ATOM 607 CG LYS A 37 -3.372 14.746 2.514 1.00 71.11 C ATOM 608 CD LYS A 37 -4.253 15.914 2.019 1.00 21.44 C ATOM 609 CE LYS A 37 -5.547 16.070 2.837 1.00 15.22 C ATOM 610 NZ LYS A 37 -6.370 14.832 2.817 1.00 2.23 N ATOM 0 H LYS A 37 -0.917 14.004 2.638 1.00 11.45 H new ATOM 0 HA LYS A 37 -1.572 14.075 5.463 1.00 52.22 H new ATOM 0 HB2 LYS A 37 -3.720 15.009 4.628 1.00 70.51 H new ATOM 0 HB3 LYS A 37 -2.322 15.876 4.023 1.00 70.51 H new ATOM 0 HG2 LYS A 37 -2.517 14.637 1.846 1.00 71.11 H new ATOM 0 HG3 LYS A 37 -3.943 13.820 2.454 1.00 71.11 H new ATOM 0 HD2 LYS A 37 -3.682 16.841 2.070 1.00 21.44 H new ATOM 0 HD3 LYS A 37 -4.507 15.753 0.971 1.00 21.44 H new ATOM 0 HE2 LYS A 37 -5.297 16.322 3.867 1.00 15.22 H new ATOM 0 HE3 LYS A 37 -6.130 16.900 2.438 1.00 15.22 H new ATOM 0 HZ1 LYS A 37 -7.297 15.024 3.247 1.00 2.23 H new ATOM 0 HZ2 LYS A 37 -6.503 14.519 1.834 1.00 2.23 H new ATOM 0 HZ3 LYS A 37 -5.887 14.085 3.356 1.00 2.23 H new ATOM 624 N LEU A 38 -2.355 11.477 3.779 1.00 42.12 N ATOM 625 CA LEU A 38 -2.967 10.135 3.760 1.00 2.14 C ATOM 626 C LEU A 38 -2.116 9.108 4.549 1.00 73.40 C ATOM 627 O LEU A 38 -2.134 7.914 4.239 1.00 44.02 O ATOM 628 CB LEU A 38 -3.164 9.666 2.287 1.00 4.23 C ATOM 629 CG LEU A 38 -4.308 10.332 1.471 1.00 4.13 C ATOM 630 CD1 LEU A 38 -4.328 9.788 0.024 1.00 63.00 C ATOM 631 CD2 LEU A 38 -5.674 10.157 2.170 1.00 5.50 C ATOM 0 H LEU A 38 -1.622 11.591 3.079 1.00 42.12 H new ATOM 0 HA LEU A 38 -3.938 10.198 4.251 1.00 2.14 H new ATOM 0 HB2 LEU A 38 -2.229 9.832 1.753 1.00 4.23 H new ATOM 0 HB3 LEU A 38 -3.339 8.590 2.297 1.00 4.23 H new ATOM 0 HG LEU A 38 -4.114 11.403 1.421 1.00 4.13 H new ATOM 0 HD11 LEU A 38 -5.135 10.265 -0.533 1.00 63.00 H new ATOM 0 HD12 LEU A 38 -3.376 10.005 -0.460 1.00 63.00 H new ATOM 0 HD13 LEU A 38 -4.488 8.710 0.043 1.00 63.00 H new ATOM 0 HD21 LEU A 38 -6.452 10.634 1.574 1.00 5.50 H new ATOM 0 HD22 LEU A 38 -5.896 9.095 2.274 1.00 5.50 H new ATOM 0 HD23 LEU A 38 -5.639 10.618 3.157 1.00 5.50 H new ATOM 643 N ILE A 39 -1.341 9.566 5.538 1.00 42.45 N ATOM 644 CA ILE A 39 -0.627 8.653 6.457 1.00 33.34 C ATOM 645 C ILE A 39 -1.567 8.261 7.613 1.00 71.32 C ATOM 646 O ILE A 39 -2.281 9.117 8.145 1.00 1.41 O ATOM 647 CB ILE A 39 0.692 9.298 7.023 1.00 11.31 C ATOM 648 CG1 ILE A 39 1.601 9.801 5.857 1.00 10.53 C ATOM 649 CG2 ILE A 39 1.460 8.306 7.935 1.00 5.14 C ATOM 650 CD1 ILE A 39 2.011 8.738 4.854 1.00 14.44 C ATOM 0 H ILE A 39 -1.188 10.557 5.728 1.00 42.45 H new ATOM 0 HA ILE A 39 -0.335 7.766 5.896 1.00 33.34 H new ATOM 0 HB ILE A 39 0.410 10.156 7.634 1.00 11.31 H new ATOM 0 HG12 ILE A 39 1.077 10.596 5.326 1.00 10.53 H new ATOM 0 HG13 ILE A 39 2.502 10.242 6.284 1.00 10.53 H new ATOM 0 HG21 ILE A 39 2.366 8.783 8.309 1.00 5.14 H new ATOM 0 HG22 ILE A 39 0.827 8.019 8.775 1.00 5.14 H new ATOM 0 HG23 ILE A 39 1.727 7.418 7.363 1.00 5.14 H new ATOM 0 HD11 ILE A 39 2.640 9.187 4.085 1.00 14.44 H new ATOM 0 HD12 ILE A 39 2.567 7.952 5.364 1.00 14.44 H new ATOM 0 HD13 ILE A 39 1.121 8.311 4.392 1.00 14.44 H new ATOM 662 N GLY A 40 -1.585 6.963 7.973 1.00 1.31 N ATOM 663 CA GLY A 40 -2.425 6.467 9.076 1.00 41.42 C ATOM 664 C GLY A 40 -3.635 5.668 8.607 1.00 75.31 C ATOM 665 O GLY A 40 -4.345 5.088 9.440 1.00 5.01 O ATOM 0 H GLY A 40 -1.028 6.241 7.516 1.00 1.31 H new ATOM 0 HA2 GLY A 40 -1.818 5.842 9.731 1.00 41.42 H new ATOM 0 HA3 GLY A 40 -2.767 7.314 9.671 1.00 41.42 H new ATOM 669 N ARG A 41 -3.878 5.637 7.278 1.00 72.21 N ATOM 670 CA ARG A 41 -5.007 4.880 6.687 1.00 33.23 C ATOM 671 C ARG A 41 -4.646 3.390 6.563 1.00 61.30 C ATOM 672 O ARG A 41 -3.462 3.027 6.464 1.00 44.03 O ATOM 673 CB ARG A 41 -5.430 5.479 5.308 1.00 23.00 C ATOM 674 CG ARG A 41 -4.278 5.666 4.313 1.00 21.12 C ATOM 675 CD ARG A 41 -4.700 6.312 2.976 1.00 62.02 C ATOM 676 NE ARG A 41 -3.525 6.507 2.090 1.00 2.12 N ATOM 677 CZ ARG A 41 -3.476 6.312 0.758 1.00 43.23 C ATOM 678 NH1 ARG A 41 -4.541 5.898 0.088 1.00 23.34 N ATOM 679 NH2 ARG A 41 -2.346 6.562 0.099 1.00 45.55 N ATOM 0 H ARG A 41 -3.306 6.129 6.591 1.00 72.21 H new ATOM 0 HA ARG A 41 -5.864 4.968 7.354 1.00 33.23 H new ATOM 0 HB2 ARG A 41 -6.179 4.828 4.858 1.00 23.00 H new ATOM 0 HB3 ARG A 41 -5.907 6.444 5.477 1.00 23.00 H new ATOM 0 HG2 ARG A 41 -3.509 6.284 4.776 1.00 21.12 H new ATOM 0 HG3 ARG A 41 -3.827 4.695 4.109 1.00 21.12 H new ATOM 0 HD2 ARG A 41 -5.436 5.680 2.478 1.00 62.02 H new ATOM 0 HD3 ARG A 41 -5.181 7.272 3.166 1.00 62.02 H new ATOM 0 HE ARG A 41 -2.664 6.822 2.537 1.00 2.12 H new ATOM 0 HH11 ARG A 41 -5.417 5.722 0.581 1.00 23.34 H new ATOM 0 HH12 ARG A 41 -4.486 5.756 -0.921 1.00 23.34 H new ATOM 0 HH21 ARG A 41 -1.526 6.899 0.603 1.00 45.55 H new ATOM 0 HH22 ARG A 41 -2.301 6.417 -0.910 1.00 45.55 H new ATOM 693 N LEU A 42 -5.689 2.550 6.569 1.00 31.44 N ATOM 694 CA LEU A 42 -5.569 1.090 6.531 1.00 34.14 C ATOM 695 C LEU A 42 -5.587 0.615 5.073 1.00 42.54 C ATOM 696 O LEU A 42 -6.247 1.215 4.235 1.00 42.42 O ATOM 697 CB LEU A 42 -6.744 0.447 7.317 1.00 21.11 C ATOM 698 CG LEU A 42 -6.747 -1.113 7.401 1.00 52.13 C ATOM 699 CD1 LEU A 42 -5.497 -1.638 8.132 1.00 14.01 C ATOM 700 CD2 LEU A 42 -8.051 -1.628 8.042 1.00 75.12 C ATOM 0 H LEU A 42 -6.656 2.873 6.601 1.00 31.44 H new ATOM 0 HA LEU A 42 -4.629 0.789 6.994 1.00 34.14 H new ATOM 0 HB2 LEU A 42 -6.735 0.845 8.332 1.00 21.11 H new ATOM 0 HB3 LEU A 42 -7.679 0.767 6.857 1.00 21.11 H new ATOM 0 HG LEU A 42 -6.708 -1.506 6.385 1.00 52.13 H new ATOM 0 HD11 LEU A 42 -5.530 -2.727 8.173 1.00 14.01 H new ATOM 0 HD12 LEU A 42 -4.602 -1.322 7.596 1.00 14.01 H new ATOM 0 HD13 LEU A 42 -5.473 -1.237 9.145 1.00 14.01 H new ATOM 0 HD21 LEU A 42 -8.028 -2.717 8.089 1.00 75.12 H new ATOM 0 HD22 LEU A 42 -8.146 -1.223 9.050 1.00 75.12 H new ATOM 0 HD23 LEU A 42 -8.903 -1.309 7.441 1.00 75.12 H new ATOM 712 N VAL A 43 -4.847 -0.462 4.785 1.00 52.02 N ATOM 713 CA VAL A 43 -4.757 -1.060 3.443 1.00 45.51 C ATOM 714 C VAL A 43 -5.198 -2.529 3.512 1.00 41.11 C ATOM 715 O VAL A 43 -4.663 -3.295 4.318 1.00 54.00 O ATOM 716 CB VAL A 43 -3.295 -0.986 2.871 1.00 14.43 C ATOM 717 CG1 VAL A 43 -3.234 -1.545 1.440 1.00 4.30 C ATOM 718 CG2 VAL A 43 -2.729 0.449 2.931 1.00 71.52 C ATOM 0 H VAL A 43 -4.287 -0.950 5.484 1.00 52.02 H new ATOM 0 HA VAL A 43 -5.410 -0.495 2.778 1.00 45.51 H new ATOM 0 HB VAL A 43 -2.665 -1.610 3.506 1.00 14.43 H new ATOM 0 HG11 VAL A 43 -2.211 -1.482 1.068 1.00 4.30 H new ATOM 0 HG12 VAL A 43 -3.556 -2.586 1.442 1.00 4.30 H new ATOM 0 HG13 VAL A 43 -3.892 -0.963 0.794 1.00 4.30 H new ATOM 0 HG21 VAL A 43 -1.717 0.458 2.527 1.00 71.52 H new ATOM 0 HG22 VAL A 43 -3.361 1.114 2.343 1.00 71.52 H new ATOM 0 HG23 VAL A 43 -2.709 0.789 3.966 1.00 71.52 H new ATOM 728 N LEU A 44 -6.173 -2.911 2.671 1.00 74.52 N ATOM 729 CA LEU A 44 -6.642 -4.300 2.559 1.00 40.24 C ATOM 730 C LEU A 44 -6.067 -4.916 1.275 1.00 73.35 C ATOM 731 O LEU A 44 -6.545 -4.643 0.169 1.00 34.34 O ATOM 732 CB LEU A 44 -8.199 -4.339 2.561 1.00 64.04 C ATOM 733 CG LEU A 44 -8.888 -3.762 3.838 1.00 53.52 C ATOM 734 CD1 LEU A 44 -10.425 -3.878 3.752 1.00 71.20 C ATOM 735 CD2 LEU A 44 -8.340 -4.428 5.121 1.00 52.33 C ATOM 0 H LEU A 44 -6.658 -2.264 2.049 1.00 74.52 H new ATOM 0 HA LEU A 44 -6.297 -4.884 3.413 1.00 40.24 H new ATOM 0 HB2 LEU A 44 -8.559 -3.785 1.694 1.00 64.04 H new ATOM 0 HB3 LEU A 44 -8.519 -5.373 2.434 1.00 64.04 H new ATOM 0 HG LEU A 44 -8.646 -2.701 3.891 1.00 53.52 H new ATOM 0 HD11 LEU A 44 -10.872 -3.467 4.657 1.00 71.20 H new ATOM 0 HD12 LEU A 44 -10.784 -3.323 2.886 1.00 71.20 H new ATOM 0 HD13 LEU A 44 -10.706 -4.927 3.652 1.00 71.20 H new ATOM 0 HD21 LEU A 44 -8.840 -4.005 5.992 1.00 52.33 H new ATOM 0 HD22 LEU A 44 -8.526 -5.501 5.082 1.00 52.33 H new ATOM 0 HD23 LEU A 44 -7.267 -4.248 5.195 1.00 52.33 H new ATOM 747 N TRP A 45 -4.997 -5.704 1.440 1.00 24.33 N ATOM 748 CA TRP A 45 -4.347 -6.446 0.348 1.00 10.31 C ATOM 749 C TRP A 45 -4.720 -7.923 0.445 1.00 54.33 C ATOM 750 O TRP A 45 -4.892 -8.445 1.541 1.00 32.20 O ATOM 751 CB TRP A 45 -2.818 -6.287 0.452 1.00 71.01 C ATOM 752 CG TRP A 45 -2.018 -7.103 -0.538 1.00 11.53 C ATOM 753 CD1 TRP A 45 -2.080 -7.038 -1.896 1.00 71.51 C ATOM 754 CD2 TRP A 45 -1.039 -8.112 -0.237 1.00 75.42 C ATOM 755 NE1 TRP A 45 -1.200 -7.926 -2.452 1.00 3.35 N ATOM 756 CE2 TRP A 45 -0.545 -8.587 -1.463 1.00 32.40 C ATOM 757 CE3 TRP A 45 -0.527 -8.643 0.943 1.00 70.34 C ATOM 758 CZ2 TRP A 45 0.429 -9.562 -1.546 1.00 22.30 C ATOM 759 CZ3 TRP A 45 0.449 -9.622 0.859 1.00 73.31 C ATOM 760 CH2 TRP A 45 0.919 -10.068 -0.381 1.00 61.24 C ATOM 0 H TRP A 45 -4.551 -5.847 2.346 1.00 24.33 H new ATOM 0 HA TRP A 45 -4.683 -6.051 -0.610 1.00 10.31 H new ATOM 0 HB2 TRP A 45 -2.568 -5.235 0.317 1.00 71.01 H new ATOM 0 HB3 TRP A 45 -2.508 -6.562 1.460 1.00 71.01 H new ATOM 0 HD1 TRP A 45 -2.730 -6.380 -2.454 1.00 71.51 H new ATOM 0 HE1 TRP A 45 -1.058 -8.069 -3.452 1.00 3.35 H new ATOM 0 HE3 TRP A 45 -0.883 -8.299 1.903 1.00 70.34 H new ATOM 0 HZ2 TRP A 45 0.790 -9.911 -2.502 1.00 22.30 H new ATOM 0 HZ3 TRP A 45 0.854 -10.048 1.765 1.00 73.31 H new ATOM 0 HH2 TRP A 45 1.685 -10.828 -0.415 1.00 61.24 H new ATOM 771 N LYS A 46 -4.809 -8.594 -0.702 1.00 71.22 N ATOM 772 CA LYS A 46 -5.068 -10.027 -0.773 1.00 34.43 C ATOM 773 C LYS A 46 -3.732 -10.749 -0.999 1.00 32.04 C ATOM 774 O LYS A 46 -3.127 -10.620 -2.069 1.00 51.25 O ATOM 775 CB LYS A 46 -6.069 -10.321 -1.909 1.00 41.32 C ATOM 776 CG LYS A 46 -6.477 -11.809 -2.037 1.00 34.20 C ATOM 777 CD LYS A 46 -7.443 -12.092 -3.214 1.00 13.14 C ATOM 778 CE LYS A 46 -6.772 -12.028 -4.603 1.00 74.10 C ATOM 779 NZ LYS A 46 -6.327 -10.663 -4.993 1.00 24.11 N ATOM 0 H LYS A 46 -4.702 -8.152 -1.615 1.00 71.22 H new ATOM 0 HA LYS A 46 -5.512 -10.385 0.156 1.00 34.43 H new ATOM 0 HB2 LYS A 46 -6.967 -9.724 -1.749 1.00 41.32 H new ATOM 0 HB3 LYS A 46 -5.633 -9.994 -2.853 1.00 41.32 H new ATOM 0 HG2 LYS A 46 -5.579 -12.413 -2.163 1.00 34.20 H new ATOM 0 HG3 LYS A 46 -6.948 -12.128 -1.107 1.00 34.20 H new ATOM 0 HD2 LYS A 46 -7.884 -13.080 -3.080 1.00 13.14 H new ATOM 0 HD3 LYS A 46 -8.260 -11.371 -3.182 1.00 13.14 H new ATOM 0 HE2 LYS A 46 -5.911 -12.697 -4.611 1.00 74.10 H new ATOM 0 HE3 LYS A 46 -7.472 -12.400 -5.352 1.00 74.10 H new ATOM 0 HZ1 LYS A 46 -6.618 -10.470 -5.973 1.00 24.11 H new ATOM 0 HZ2 LYS A 46 -6.761 -9.962 -4.359 1.00 24.11 H new ATOM 0 HZ3 LYS A 46 -5.291 -10.602 -4.921 1.00 24.11 H new ATOM 793 N SER A 47 -3.251 -11.458 0.035 1.00 73.42 N ATOM 794 CA SER A 47 -2.012 -12.246 -0.020 1.00 2.03 C ATOM 795 C SER A 47 -2.176 -13.476 -0.946 1.00 71.12 C ATOM 796 O SER A 47 -3.300 -13.950 -1.133 1.00 72.22 O ATOM 797 CB SER A 47 -1.616 -12.699 1.409 1.00 35.12 C ATOM 798 OG SER A 47 -2.591 -13.552 1.998 1.00 20.20 O ATOM 0 H SER A 47 -3.717 -11.500 0.941 1.00 73.42 H new ATOM 0 HA SER A 47 -1.221 -11.619 -0.431 1.00 2.03 H new ATOM 0 HB2 SER A 47 -0.659 -13.219 1.370 1.00 35.12 H new ATOM 0 HB3 SER A 47 -1.477 -11.821 2.040 1.00 35.12 H new ATOM 0 HG SER A 47 -3.460 -13.098 2.008 1.00 20.20 H new ATOM 804 N PRO A 48 -1.056 -14.010 -1.548 1.00 64.43 N ATOM 805 CA PRO A 48 -1.068 -15.294 -2.321 1.00 62.41 C ATOM 806 C PRO A 48 -1.512 -16.519 -1.479 1.00 41.13 C ATOM 807 O PRO A 48 -1.787 -17.591 -2.027 1.00 53.31 O ATOM 808 CB PRO A 48 0.408 -15.441 -2.787 1.00 61.33 C ATOM 809 CG PRO A 48 0.957 -14.050 -2.754 1.00 23.14 C ATOM 810 CD PRO A 48 0.297 -13.391 -1.571 1.00 74.35 C ATOM 0 HA PRO A 48 -1.790 -15.264 -3.137 1.00 62.41 H new ATOM 0 HB2 PRO A 48 0.968 -16.103 -2.127 1.00 61.33 H new ATOM 0 HB3 PRO A 48 0.466 -15.866 -3.789 1.00 61.33 H new ATOM 0 HG2 PRO A 48 2.042 -14.058 -2.646 1.00 23.14 H new ATOM 0 HG3 PRO A 48 0.733 -13.516 -3.678 1.00 23.14 H new ATOM 0 HD2 PRO A 48 0.843 -13.582 -0.647 1.00 74.35 H new ATOM 0 HD3 PRO A 48 0.243 -12.309 -1.691 1.00 74.35 H new ATOM 818 N SER A 49 -1.556 -16.345 -0.142 1.00 34.41 N ATOM 819 CA SER A 49 -2.040 -17.368 0.802 1.00 31.21 C ATOM 820 C SER A 49 -3.588 -17.376 0.891 1.00 71.44 C ATOM 821 O SER A 49 -4.156 -18.231 1.573 1.00 71.42 O ATOM 822 CB SER A 49 -1.409 -17.127 2.197 1.00 61.43 C ATOM 823 OG SER A 49 -1.768 -18.136 3.134 1.00 42.11 O ATOM 0 H SER A 49 -1.254 -15.484 0.314 1.00 34.41 H new ATOM 0 HA SER A 49 -1.735 -18.348 0.434 1.00 31.21 H new ATOM 0 HB2 SER A 49 -0.324 -17.093 2.101 1.00 61.43 H new ATOM 0 HB3 SER A 49 -1.727 -16.155 2.574 1.00 61.43 H new ATOM 0 HG SER A 49 -2.678 -18.447 2.947 1.00 42.11 H new ATOM 829 N GLY A 50 -4.256 -16.419 0.208 1.00 15.44 N ATOM 830 CA GLY A 50 -5.726 -16.352 0.165 1.00 51.43 C ATOM 831 C GLY A 50 -6.321 -15.433 1.222 1.00 44.35 C ATOM 832 O GLY A 50 -7.516 -15.132 1.175 1.00 10.34 O ATOM 0 H GLY A 50 -3.793 -15.681 -0.322 1.00 15.44 H new ATOM 0 HA2 GLY A 50 -6.038 -16.009 -0.821 1.00 51.43 H new ATOM 0 HA3 GLY A 50 -6.132 -17.355 0.296 1.00 51.43 H new ATOM 836 N LYS A 51 -5.480 -14.993 2.168 1.00 62.31 N ATOM 837 CA LYS A 51 -5.891 -14.131 3.288 1.00 42.05 C ATOM 838 C LYS A 51 -5.940 -12.665 2.843 1.00 30.43 C ATOM 839 O LYS A 51 -5.242 -12.278 1.909 1.00 15.44 O ATOM 840 CB LYS A 51 -4.884 -14.290 4.457 1.00 52.23 C ATOM 841 CG LYS A 51 -4.754 -15.726 5.006 1.00 0.24 C ATOM 842 CD LYS A 51 -6.063 -16.252 5.653 1.00 32.22 C ATOM 843 CE LYS A 51 -5.923 -17.680 6.223 1.00 34.40 C ATOM 844 NZ LYS A 51 -4.928 -17.760 7.332 1.00 11.15 N ATOM 0 H LYS A 51 -4.487 -15.226 2.179 1.00 62.31 H new ATOM 0 HA LYS A 51 -6.886 -14.429 3.618 1.00 42.05 H new ATOM 0 HB2 LYS A 51 -3.903 -13.954 4.122 1.00 52.23 H new ATOM 0 HB3 LYS A 51 -5.186 -13.631 5.271 1.00 52.23 H new ATOM 0 HG2 LYS A 51 -4.463 -16.394 4.195 1.00 0.24 H new ATOM 0 HG3 LYS A 51 -3.953 -15.755 5.745 1.00 0.24 H new ATOM 0 HD2 LYS A 51 -6.364 -15.575 6.453 1.00 32.22 H new ATOM 0 HD3 LYS A 51 -6.860 -16.240 4.909 1.00 32.22 H new ATOM 0 HE2 LYS A 51 -6.893 -18.019 6.585 1.00 34.40 H new ATOM 0 HE3 LYS A 51 -5.626 -18.359 5.424 1.00 34.40 H new ATOM 0 HZ1 LYS A 51 -4.934 -18.719 7.735 1.00 11.15 H new ATOM 0 HZ2 LYS A 51 -3.980 -17.545 6.964 1.00 11.15 H new ATOM 0 HZ3 LYS A 51 -5.176 -17.072 8.072 1.00 11.15 H new ATOM 858 N ILE A 52 -6.759 -11.854 3.520 1.00 54.43 N ATOM 859 CA ILE A 52 -6.785 -10.392 3.326 1.00 12.34 C ATOM 860 C ILE A 52 -6.029 -9.736 4.489 1.00 23.12 C ATOM 861 O ILE A 52 -6.526 -9.675 5.622 1.00 70.01 O ATOM 862 CB ILE A 52 -8.251 -9.825 3.196 1.00 14.11 C ATOM 863 CG1 ILE A 52 -8.947 -10.451 1.944 1.00 71.24 C ATOM 864 CG2 ILE A 52 -8.265 -8.268 3.137 1.00 14.03 C ATOM 865 CD1 ILE A 52 -10.387 -10.022 1.720 1.00 54.43 C ATOM 0 H ILE A 52 -7.424 -12.187 4.218 1.00 54.43 H new ATOM 0 HA ILE A 52 -6.295 -10.153 2.382 1.00 12.34 H new ATOM 0 HB ILE A 52 -8.811 -10.107 4.087 1.00 14.11 H new ATOM 0 HG12 ILE A 52 -8.366 -10.192 1.059 1.00 71.24 H new ATOM 0 HG13 ILE A 52 -8.919 -11.537 2.038 1.00 71.24 H new ATOM 0 HG21 ILE A 52 -9.293 -7.917 3.048 1.00 14.03 H new ATOM 0 HG22 ILE A 52 -7.822 -7.865 4.048 1.00 14.03 H new ATOM 0 HG23 ILE A 52 -7.690 -7.931 2.274 1.00 14.03 H new ATOM 0 HD11 ILE A 52 -10.778 -10.511 0.828 1.00 54.43 H new ATOM 0 HD12 ILE A 52 -10.990 -10.306 2.583 1.00 54.43 H new ATOM 0 HD13 ILE A 52 -10.428 -8.941 1.588 1.00 54.43 H new ATOM 877 N LEU A 53 -4.798 -9.297 4.198 1.00 54.02 N ATOM 878 CA LEU A 53 -3.904 -8.690 5.178 1.00 21.11 C ATOM 879 C LEU A 53 -4.230 -7.205 5.369 1.00 3.44 C ATOM 880 O LEU A 53 -4.735 -6.536 4.464 1.00 63.12 O ATOM 881 CB LEU A 53 -2.434 -8.875 4.748 1.00 22.15 C ATOM 882 CG LEU A 53 -1.950 -10.344 4.572 1.00 73.42 C ATOM 883 CD1 LEU A 53 -0.451 -10.378 4.289 1.00 73.30 C ATOM 884 CD2 LEU A 53 -2.301 -11.245 5.781 1.00 5.44 C ATOM 0 H LEU A 53 -4.395 -9.356 3.263 1.00 54.02 H new ATOM 0 HA LEU A 53 -4.051 -9.192 6.134 1.00 21.11 H new ATOM 0 HB2 LEU A 53 -2.284 -8.349 3.805 1.00 22.15 H new ATOM 0 HB3 LEU A 53 -1.797 -8.390 5.488 1.00 22.15 H new ATOM 0 HG LEU A 53 -2.487 -10.754 3.717 1.00 73.42 H new ATOM 0 HD11 LEU A 53 -0.127 -11.412 4.168 1.00 73.30 H new ATOM 0 HD12 LEU A 53 -0.241 -9.823 3.375 1.00 73.30 H new ATOM 0 HD13 LEU A 53 0.087 -9.924 5.121 1.00 73.30 H new ATOM 0 HD21 LEU A 53 -1.938 -12.256 5.599 1.00 5.44 H new ATOM 0 HD22 LEU A 53 -1.831 -10.847 6.680 1.00 5.44 H new ATOM 0 HD23 LEU A 53 -3.382 -11.267 5.917 1.00 5.44 H new ATOM 896 N LYS A 54 -3.897 -6.715 6.561 1.00 4.22 N ATOM 897 CA LYS A 54 -4.168 -5.349 7.005 1.00 34.25 C ATOM 898 C LYS A 54 -2.824 -4.656 7.254 1.00 2.11 C ATOM 899 O LYS A 54 -2.035 -5.106 8.097 1.00 33.14 O ATOM 900 CB LYS A 54 -5.041 -5.380 8.291 1.00 13.31 C ATOM 901 CG LYS A 54 -6.428 -6.034 8.093 1.00 10.43 C ATOM 902 CD LYS A 54 -7.229 -6.163 9.407 1.00 22.25 C ATOM 903 CE LYS A 54 -7.509 -4.815 10.084 1.00 22.11 C ATOM 904 NZ LYS A 54 -8.324 -4.976 11.322 1.00 14.45 N ATOM 0 H LYS A 54 -3.417 -7.274 7.266 1.00 4.22 H new ATOM 0 HA LYS A 54 -4.721 -4.794 6.247 1.00 34.25 H new ATOM 0 HB2 LYS A 54 -4.503 -5.921 9.070 1.00 13.31 H new ATOM 0 HB3 LYS A 54 -5.179 -4.360 8.649 1.00 13.31 H new ATOM 0 HG2 LYS A 54 -7.003 -5.443 7.380 1.00 10.43 H new ATOM 0 HG3 LYS A 54 -6.297 -7.024 7.655 1.00 10.43 H new ATOM 0 HD2 LYS A 54 -8.176 -6.661 9.199 1.00 22.25 H new ATOM 0 HD3 LYS A 54 -6.679 -6.801 10.098 1.00 22.25 H new ATOM 0 HE2 LYS A 54 -6.565 -4.329 10.331 1.00 22.11 H new ATOM 0 HE3 LYS A 54 -8.032 -4.160 9.387 1.00 22.11 H new ATOM 0 HZ1 LYS A 54 -8.492 -4.043 11.751 1.00 14.45 H new ATOM 0 HZ2 LYS A 54 -9.235 -5.417 11.083 1.00 14.45 H new ATOM 0 HZ3 LYS A 54 -7.814 -5.580 11.997 1.00 14.45 H new ATOM 918 N GLY A 55 -2.553 -3.601 6.479 1.00 61.45 N ATOM 919 CA GLY A 55 -1.300 -2.853 6.567 1.00 73.02 C ATOM 920 C GLY A 55 -1.547 -1.378 6.719 1.00 32.33 C ATOM 921 O GLY A 55 -2.356 -0.820 5.990 1.00 45.12 O ATOM 0 H GLY A 55 -3.198 -3.244 5.774 1.00 61.45 H new ATOM 0 HA2 GLY A 55 -0.718 -3.215 7.415 1.00 73.02 H new ATOM 0 HA3 GLY A 55 -0.704 -3.033 5.672 1.00 73.02 H new ATOM 925 N LYS A 56 -0.861 -0.734 7.665 1.00 55.54 N ATOM 926 CA LYS A 56 -1.017 0.706 7.892 1.00 74.45 C ATOM 927 C LYS A 56 0.149 1.457 7.267 1.00 52.21 C ATOM 928 O LYS A 56 1.316 1.121 7.510 1.00 31.31 O ATOM 929 CB LYS A 56 -1.141 1.037 9.393 1.00 51.22 C ATOM 930 CG LYS A 56 -1.323 2.555 9.682 1.00 45.34 C ATOM 931 CD LYS A 56 -1.786 2.859 11.118 1.00 45.11 C ATOM 932 CE LYS A 56 -3.176 2.278 11.418 1.00 10.41 C ATOM 933 NZ LYS A 56 -3.618 2.575 12.805 1.00 3.14 N ATOM 0 H LYS A 56 -0.191 -1.186 8.287 1.00 55.54 H new ATOM 0 HA LYS A 56 -1.943 1.026 7.415 1.00 74.45 H new ATOM 0 HB2 LYS A 56 -1.989 0.492 9.808 1.00 51.22 H new ATOM 0 HB3 LYS A 56 -0.250 0.681 9.910 1.00 51.22 H new ATOM 0 HG2 LYS A 56 -0.378 3.067 9.498 1.00 45.34 H new ATOM 0 HG3 LYS A 56 -2.050 2.965 8.981 1.00 45.34 H new ATOM 0 HD2 LYS A 56 -1.064 2.450 11.824 1.00 45.11 H new ATOM 0 HD3 LYS A 56 -1.805 3.938 11.270 1.00 45.11 H new ATOM 0 HE2 LYS A 56 -3.899 2.686 10.712 1.00 10.41 H new ATOM 0 HE3 LYS A 56 -3.158 1.199 11.267 1.00 10.41 H new ATOM 0 HZ1 LYS A 56 -4.560 2.165 12.964 1.00 3.14 H new ATOM 0 HZ2 LYS A 56 -2.942 2.164 13.480 1.00 3.14 H new ATOM 0 HZ3 LYS A 56 -3.661 3.605 12.943 1.00 3.14 H new ATOM 947 N ILE A 57 -0.191 2.465 6.450 1.00 54.01 N ATOM 948 CA ILE A 57 0.779 3.339 5.800 1.00 20.32 C ATOM 949 C ILE A 57 1.494 4.183 6.861 1.00 64.03 C ATOM 950 O ILE A 57 0.888 5.067 7.477 1.00 71.31 O ATOM 951 CB ILE A 57 0.093 4.254 4.727 1.00 33.32 C ATOM 952 CG1 ILE A 57 -0.590 3.365 3.652 1.00 11.33 C ATOM 953 CG2 ILE A 57 1.107 5.241 4.087 1.00 70.20 C ATOM 954 CD1 ILE A 57 -1.394 4.114 2.624 1.00 1.11 C ATOM 0 H ILE A 57 -1.159 2.693 6.224 1.00 54.01 H new ATOM 0 HA ILE A 57 1.511 2.723 5.278 1.00 20.32 H new ATOM 0 HB ILE A 57 -0.667 4.862 5.218 1.00 33.32 H new ATOM 0 HG12 ILE A 57 0.178 2.786 3.139 1.00 11.33 H new ATOM 0 HG13 ILE A 57 -1.244 2.652 4.154 1.00 11.33 H new ATOM 0 HG21 ILE A 57 0.597 5.859 3.348 1.00 70.20 H new ATOM 0 HG22 ILE A 57 1.533 5.879 4.862 1.00 70.20 H new ATOM 0 HG23 ILE A 57 1.905 4.679 3.601 1.00 70.20 H new ATOM 0 HD11 ILE A 57 -1.831 3.407 1.918 1.00 1.11 H new ATOM 0 HD12 ILE A 57 -2.189 4.671 3.119 1.00 1.11 H new ATOM 0 HD13 ILE A 57 -0.745 4.807 2.089 1.00 1.11 H new ATOM 966 N VAL A 58 2.763 3.833 7.111 1.00 53.43 N ATOM 967 CA VAL A 58 3.619 4.493 8.115 1.00 41.01 C ATOM 968 C VAL A 58 4.286 5.756 7.534 1.00 71.22 C ATOM 969 O VAL A 58 4.539 6.723 8.268 1.00 0.04 O ATOM 970 CB VAL A 58 4.706 3.491 8.677 1.00 53.24 C ATOM 971 CG1 VAL A 58 4.027 2.316 9.419 1.00 30.04 C ATOM 972 CG2 VAL A 58 5.643 2.970 7.553 1.00 60.22 C ATOM 0 H VAL A 58 3.233 3.074 6.617 1.00 53.43 H new ATOM 0 HA VAL A 58 2.982 4.802 8.944 1.00 41.01 H new ATOM 0 HB VAL A 58 5.326 4.038 9.387 1.00 53.24 H new ATOM 0 HG11 VAL A 58 4.790 1.636 9.799 1.00 30.04 H new ATOM 0 HG12 VAL A 58 3.438 2.703 10.251 1.00 30.04 H new ATOM 0 HG13 VAL A 58 3.374 1.780 8.731 1.00 30.04 H new ATOM 0 HG21 VAL A 58 6.376 2.285 7.979 1.00 60.22 H new ATOM 0 HG22 VAL A 58 5.053 2.448 6.800 1.00 60.22 H new ATOM 0 HG23 VAL A 58 6.159 3.811 7.090 1.00 60.22 H new ATOM 982 N ARG A 59 4.544 5.738 6.209 1.00 61.25 N ATOM 983 CA ARG A 59 5.198 6.852 5.501 1.00 55.45 C ATOM 984 C ARG A 59 5.087 6.652 3.974 1.00 21.45 C ATOM 985 O ARG A 59 4.714 5.573 3.507 1.00 75.12 O ATOM 986 CB ARG A 59 6.678 6.988 5.972 1.00 50.43 C ATOM 987 CG ARG A 59 7.408 8.272 5.506 1.00 0.34 C ATOM 988 CD ARG A 59 8.608 8.640 6.385 1.00 71.54 C ATOM 989 NE ARG A 59 8.189 8.925 7.775 1.00 4.21 N ATOM 990 CZ ARG A 59 8.245 10.136 8.368 1.00 71.15 C ATOM 991 NH1 ARG A 59 8.704 11.204 7.709 1.00 22.33 N ATOM 992 NH2 ARG A 59 7.827 10.274 9.618 1.00 61.40 N ATOM 0 H ARG A 59 4.305 4.952 5.604 1.00 61.25 H new ATOM 0 HA ARG A 59 4.691 7.786 5.742 1.00 55.45 H new ATOM 0 HB2 ARG A 59 6.700 6.953 7.061 1.00 50.43 H new ATOM 0 HB3 ARG A 59 7.236 6.123 5.614 1.00 50.43 H new ATOM 0 HG2 ARG A 59 7.747 8.136 4.479 1.00 0.34 H new ATOM 0 HG3 ARG A 59 6.701 9.102 5.502 1.00 0.34 H new ATOM 0 HD2 ARG A 59 9.329 7.822 6.381 1.00 71.54 H new ATOM 0 HD3 ARG A 59 9.112 9.512 5.969 1.00 71.54 H new ATOM 0 HE ARG A 59 7.830 8.146 8.328 1.00 4.21 H new ATOM 0 HH11 ARG A 59 9.019 11.111 6.743 1.00 22.33 H new ATOM 0 HH12 ARG A 59 8.740 12.112 8.172 1.00 22.33 H new ATOM 0 HH21 ARG A 59 7.465 9.467 10.127 1.00 61.40 H new ATOM 0 HH22 ARG A 59 7.867 11.187 10.071 1.00 61.40 H new ATOM 1006 N VAL A 60 5.403 7.714 3.217 1.00 14.53 N ATOM 1007 CA VAL A 60 5.388 7.718 1.740 1.00 3.24 C ATOM 1008 C VAL A 60 6.766 7.333 1.165 1.00 22.11 C ATOM 1009 O VAL A 60 7.763 7.239 1.895 1.00 43.33 O ATOM 1010 CB VAL A 60 4.962 9.135 1.189 1.00 50.24 C ATOM 1011 CG1 VAL A 60 3.502 9.441 1.543 1.00 15.45 C ATOM 1012 CG2 VAL A 60 5.894 10.252 1.712 1.00 23.03 C ATOM 0 H VAL A 60 5.681 8.610 3.617 1.00 14.53 H new ATOM 0 HA VAL A 60 4.658 6.975 1.420 1.00 3.24 H new ATOM 0 HB VAL A 60 5.056 9.106 0.103 1.00 50.24 H new ATOM 0 HG11 VAL A 60 3.231 10.422 1.153 1.00 15.45 H new ATOM 0 HG12 VAL A 60 2.854 8.684 1.102 1.00 15.45 H new ATOM 0 HG13 VAL A 60 3.381 9.435 2.626 1.00 15.45 H new ATOM 0 HG21 VAL A 60 5.570 11.213 1.312 1.00 23.03 H new ATOM 0 HG22 VAL A 60 5.853 10.280 2.801 1.00 23.03 H new ATOM 0 HG23 VAL A 60 6.917 10.052 1.392 1.00 23.03 H new ATOM 1022 N HIS A 61 6.786 7.108 -0.152 1.00 70.24 N ATOM 1023 CA HIS A 61 7.973 6.702 -0.916 1.00 22.31 C ATOM 1024 C HIS A 61 7.951 7.425 -2.278 1.00 1.10 C ATOM 1025 O HIS A 61 7.148 7.085 -3.148 1.00 30.30 O ATOM 1026 CB HIS A 61 7.986 5.153 -1.089 1.00 24.22 C ATOM 1027 CG HIS A 61 9.068 4.639 -2.011 1.00 51.50 C ATOM 1028 ND1 HIS A 61 10.401 4.598 -1.665 1.00 52.22 N ATOM 1029 CD2 HIS A 61 9.001 4.160 -3.277 1.00 32.24 C ATOM 1030 CE1 HIS A 61 11.103 4.134 -2.680 1.00 1.44 C ATOM 1031 NE2 HIS A 61 10.276 3.861 -3.663 1.00 43.14 N ATOM 0 H HIS A 61 5.954 7.206 -0.734 1.00 70.24 H new ATOM 0 HA HIS A 61 8.884 6.980 -0.386 1.00 22.31 H new ATOM 0 HB2 HIS A 61 8.110 4.691 -0.110 1.00 24.22 H new ATOM 0 HB3 HIS A 61 7.017 4.834 -1.472 1.00 24.22 H new ATOM 0 HD2 HIS A 61 8.106 4.038 -3.870 1.00 32.24 H new ATOM 0 HE1 HIS A 61 12.175 4.001 -2.700 1.00 1.44 H new ATOM 0 HE2 HIS A 61 10.544 3.485 -4.572 1.00 43.14 H new ATOM 1040 N GLY A 62 8.815 8.445 -2.436 1.00 51.40 N ATOM 1041 CA GLY A 62 8.887 9.233 -3.674 1.00 2.52 C ATOM 1042 C GLY A 62 7.838 10.345 -3.726 1.00 55.10 C ATOM 1043 O GLY A 62 6.975 10.443 -2.844 1.00 64.34 O ATOM 0 H GLY A 62 9.474 8.741 -1.716 1.00 51.40 H new ATOM 0 HA2 GLY A 62 9.881 9.672 -3.764 1.00 2.52 H new ATOM 0 HA3 GLY A 62 8.752 8.571 -4.530 1.00 2.52 H new ATOM 1047 N THR A 63 7.930 11.190 -4.764 1.00 34.14 N ATOM 1048 CA THR A 63 6.963 12.274 -5.026 1.00 31.15 C ATOM 1049 C THR A 63 5.847 11.812 -5.985 1.00 74.32 C ATOM 1050 O THR A 63 5.001 12.611 -6.395 1.00 23.04 O ATOM 1051 CB THR A 63 7.684 13.530 -5.614 1.00 13.43 C ATOM 1052 OG1 THR A 63 8.394 13.170 -6.810 1.00 15.30 O ATOM 1053 CG2 THR A 63 8.663 14.156 -4.602 1.00 61.54 C ATOM 0 H THR A 63 8.682 11.142 -5.452 1.00 34.14 H new ATOM 0 HA THR A 63 6.507 12.542 -4.073 1.00 31.15 H new ATOM 0 HB THR A 63 6.919 14.272 -5.844 1.00 13.43 H new ATOM 0 HG1 THR A 63 8.842 13.961 -7.175 1.00 15.30 H new ATOM 0 HG21 THR A 63 9.143 15.026 -5.050 1.00 61.54 H new ATOM 0 HG22 THR A 63 8.117 14.462 -3.710 1.00 61.54 H new ATOM 0 HG23 THR A 63 9.422 13.423 -4.329 1.00 61.54 H new ATOM 1061 N LYS A 64 5.844 10.503 -6.302 1.00 31.42 N ATOM 1062 CA LYS A 64 4.952 9.897 -7.302 1.00 64.01 C ATOM 1063 C LYS A 64 3.669 9.335 -6.661 1.00 74.12 C ATOM 1064 O LYS A 64 2.938 8.568 -7.301 1.00 35.05 O ATOM 1065 CB LYS A 64 5.745 8.800 -8.075 1.00 52.03 C ATOM 1066 CG LYS A 64 7.011 9.333 -8.797 1.00 41.14 C ATOM 1067 CD LYS A 64 6.674 10.453 -9.808 1.00 61.31 C ATOM 1068 CE LYS A 64 7.905 11.057 -10.500 1.00 75.14 C ATOM 1069 NZ LYS A 64 7.511 12.142 -11.446 1.00 2.04 N ATOM 0 H LYS A 64 6.471 9.829 -5.863 1.00 31.42 H new ATOM 0 HA LYS A 64 4.622 10.664 -8.003 1.00 64.01 H new ATOM 0 HB2 LYS A 64 6.039 8.017 -7.376 1.00 52.03 H new ATOM 0 HB3 LYS A 64 5.086 8.339 -8.811 1.00 52.03 H new ATOM 0 HG2 LYS A 64 7.717 9.712 -8.058 1.00 41.14 H new ATOM 0 HG3 LYS A 64 7.504 8.512 -9.317 1.00 41.14 H new ATOM 0 HD2 LYS A 64 6.002 10.053 -10.567 1.00 61.31 H new ATOM 0 HD3 LYS A 64 6.135 11.246 -9.290 1.00 61.31 H new ATOM 0 HE2 LYS A 64 8.589 11.455 -9.750 1.00 75.14 H new ATOM 0 HE3 LYS A 64 8.442 10.277 -11.040 1.00 75.14 H new ATOM 0 HZ1 LYS A 64 8.361 12.533 -11.900 1.00 2.04 H new ATOM 0 HZ2 LYS A 64 6.877 11.755 -12.174 1.00 2.04 H new ATOM 0 HZ3 LYS A 64 7.020 12.896 -10.924 1.00 2.04 H new ATOM 1083 N GLY A 65 3.397 9.737 -5.400 1.00 2.03 N ATOM 1084 CA GLY A 65 2.178 9.343 -4.695 1.00 42.32 C ATOM 1085 C GLY A 65 2.244 7.955 -4.075 1.00 65.20 C ATOM 1086 O GLY A 65 1.310 7.553 -3.370 1.00 51.02 O ATOM 0 H GLY A 65 4.016 10.338 -4.855 1.00 2.03 H new ATOM 0 HA2 GLY A 65 1.973 10.071 -3.910 1.00 42.32 H new ATOM 0 HA3 GLY A 65 1.340 9.380 -5.391 1.00 42.32 H new ATOM 1090 N ALA A 66 3.356 7.227 -4.326 1.00 0.34 N ATOM 1091 CA ALA A 66 3.578 5.879 -3.787 1.00 70.13 C ATOM 1092 C ALA A 66 3.769 5.938 -2.262 1.00 25.34 C ATOM 1093 O ALA A 66 4.359 6.886 -1.743 1.00 53.01 O ATOM 1094 CB ALA A 66 4.786 5.213 -4.476 1.00 1.21 C ATOM 0 H ALA A 66 4.122 7.564 -4.910 1.00 0.34 H new ATOM 0 HA ALA A 66 2.698 5.269 -3.994 1.00 70.13 H new ATOM 0 HB1 ALA A 66 4.935 4.215 -4.064 1.00 1.21 H new ATOM 0 HB2 ALA A 66 4.599 5.139 -5.547 1.00 1.21 H new ATOM 0 HB3 ALA A 66 5.679 5.814 -4.305 1.00 1.21 H new ATOM 1100 N VAL A 67 3.256 4.918 -1.566 1.00 21.50 N ATOM 1101 CA VAL A 67 3.239 4.831 -0.093 1.00 4.22 C ATOM 1102 C VAL A 67 3.868 3.510 0.389 1.00 63.24 C ATOM 1103 O VAL A 67 4.144 2.607 -0.411 1.00 23.30 O ATOM 1104 CB VAL A 67 1.769 4.976 0.464 1.00 61.24 C ATOM 1105 CG1 VAL A 67 1.244 6.422 0.308 1.00 72.12 C ATOM 1106 CG2 VAL A 67 0.807 3.972 -0.216 1.00 72.34 C ATOM 0 H VAL A 67 2.830 4.109 -2.017 1.00 21.50 H new ATOM 0 HA VAL A 67 3.836 5.656 0.295 1.00 4.22 H new ATOM 0 HB VAL A 67 1.805 4.744 1.528 1.00 61.24 H new ATOM 0 HG11 VAL A 67 0.230 6.485 0.702 1.00 72.12 H new ATOM 0 HG12 VAL A 67 1.890 7.105 0.859 1.00 72.12 H new ATOM 0 HG13 VAL A 67 1.241 6.696 -0.747 1.00 72.12 H new ATOM 0 HG21 VAL A 67 -0.197 4.098 0.190 1.00 72.34 H new ATOM 0 HG22 VAL A 67 0.790 4.155 -1.290 1.00 72.34 H new ATOM 0 HG23 VAL A 67 1.150 2.955 -0.027 1.00 72.34 H new ATOM 1116 N ARG A 68 4.095 3.420 1.710 1.00 5.20 N ATOM 1117 CA ARG A 68 4.712 2.255 2.367 1.00 32.43 C ATOM 1118 C ARG A 68 3.824 1.799 3.529 1.00 52.23 C ATOM 1119 O ARG A 68 3.737 2.479 4.560 1.00 55.24 O ATOM 1120 CB ARG A 68 6.144 2.608 2.857 1.00 72.24 C ATOM 1121 CG ARG A 68 7.179 2.775 1.724 1.00 24.32 C ATOM 1122 CD ARG A 68 8.588 3.123 2.235 1.00 3.22 C ATOM 1123 NE ARG A 68 8.682 4.514 2.727 1.00 2.42 N ATOM 1124 CZ ARG A 68 9.429 4.923 3.767 1.00 3.10 C ATOM 1125 NH1 ARG A 68 10.161 4.067 4.473 1.00 31.12 N ATOM 1126 NH2 ARG A 68 9.489 6.209 4.058 1.00 74.25 N ATOM 0 H ARG A 68 3.851 4.166 2.362 1.00 5.20 H new ATOM 0 HA ARG A 68 4.800 1.436 1.653 1.00 32.43 H new ATOM 0 HB2 ARG A 68 6.101 3.532 3.433 1.00 72.24 H new ATOM 0 HB3 ARG A 68 6.487 1.826 3.534 1.00 72.24 H new ATOM 0 HG2 ARG A 68 7.227 1.852 1.146 1.00 24.32 H new ATOM 0 HG3 ARG A 68 6.842 3.559 1.046 1.00 24.32 H new ATOM 0 HD2 ARG A 68 8.860 2.438 3.038 1.00 3.22 H new ATOM 0 HD3 ARG A 68 9.310 2.975 1.432 1.00 3.22 H new ATOM 0 HE ARG A 68 8.135 5.222 2.237 1.00 2.42 H new ATOM 0 HH11 ARG A 68 10.164 3.076 4.230 1.00 31.12 H new ATOM 0 HH12 ARG A 68 10.720 4.401 5.258 1.00 31.12 H new ATOM 0 HH21 ARG A 68 8.971 6.884 3.495 1.00 74.25 H new ATOM 0 HH22 ARG A 68 10.053 6.528 4.845 1.00 74.25 H new ATOM 1140 N ALA A 69 3.153 0.654 3.336 1.00 30.05 N ATOM 1141 CA ALA A 69 2.225 0.074 4.319 1.00 5.22 C ATOM 1142 C ALA A 69 2.861 -1.154 4.986 1.00 44.41 C ATOM 1143 O ALA A 69 3.302 -2.074 4.300 1.00 13.13 O ATOM 1144 CB ALA A 69 0.896 -0.302 3.639 1.00 11.20 C ATOM 0 H ALA A 69 3.240 0.099 2.485 1.00 30.05 H new ATOM 0 HA ALA A 69 2.017 0.816 5.090 1.00 5.22 H new ATOM 0 HB1 ALA A 69 0.218 -0.730 4.377 1.00 11.20 H new ATOM 0 HB2 ALA A 69 0.444 0.590 3.205 1.00 11.20 H new ATOM 0 HB3 ALA A 69 1.084 -1.033 2.852 1.00 11.20 H new ATOM 1150 N ARG A 70 2.907 -1.153 6.329 1.00 11.42 N ATOM 1151 CA ARG A 70 3.418 -2.289 7.110 1.00 14.31 C ATOM 1152 C ARG A 70 2.264 -3.262 7.404 1.00 12.22 C ATOM 1153 O ARG A 70 1.382 -2.965 8.224 1.00 12.20 O ATOM 1154 CB ARG A 70 4.071 -1.805 8.434 1.00 62.15 C ATOM 1155 CG ARG A 70 5.431 -1.095 8.277 1.00 22.32 C ATOM 1156 CD ARG A 70 6.077 -0.800 9.641 1.00 23.42 C ATOM 1157 NE ARG A 70 7.413 -0.179 9.528 1.00 70.30 N ATOM 1158 CZ ARG A 70 7.961 0.632 10.456 1.00 42.12 C ATOM 1159 NH1 ARG A 70 7.296 0.954 11.565 1.00 21.20 N ATOM 1160 NH2 ARG A 70 9.194 1.085 10.294 1.00 5.40 N ATOM 0 H ARG A 70 2.592 -0.368 6.900 1.00 11.42 H new ATOM 0 HA ARG A 70 4.186 -2.801 6.530 1.00 14.31 H new ATOM 0 HB2 ARG A 70 3.380 -1.125 8.933 1.00 62.15 H new ATOM 0 HB3 ARG A 70 4.202 -2.665 9.091 1.00 62.15 H new ATOM 0 HG2 ARG A 70 6.101 -1.718 7.684 1.00 22.32 H new ATOM 0 HG3 ARG A 70 5.294 -0.163 7.729 1.00 22.32 H new ATOM 0 HD2 ARG A 70 5.423 -0.140 10.211 1.00 23.42 H new ATOM 0 HD3 ARG A 70 6.161 -1.729 10.205 1.00 23.42 H new ATOM 0 HE ARG A 70 7.959 -0.378 8.690 1.00 70.30 H new ATOM 0 HH11 ARG A 70 6.358 0.586 11.722 1.00 21.20 H new ATOM 0 HH12 ARG A 70 7.725 1.569 12.257 1.00 21.20 H new ATOM 0 HH21 ARG A 70 9.730 0.821 9.467 1.00 5.40 H new ATOM 0 HH22 ARG A 70 9.608 1.698 10.996 1.00 5.40 H new ATOM 1174 N PHE A 71 2.257 -4.386 6.671 1.00 62.45 N ATOM 1175 CA PHE A 71 1.302 -5.487 6.863 1.00 2.35 C ATOM 1176 C PHE A 71 1.793 -6.385 7.997 1.00 73.52 C ATOM 1177 O PHE A 71 2.982 -6.725 8.042 1.00 65.05 O ATOM 1178 CB PHE A 71 1.145 -6.282 5.538 1.00 73.54 C ATOM 1179 CG PHE A 71 0.456 -5.483 4.435 1.00 72.14 C ATOM 1180 CD1 PHE A 71 1.171 -4.619 3.600 1.00 20.24 C ATOM 1181 CD2 PHE A 71 -0.923 -5.565 4.265 1.00 33.23 C ATOM 1182 CE1 PHE A 71 0.523 -3.876 2.639 1.00 21.05 C ATOM 1183 CE2 PHE A 71 -1.562 -4.826 3.300 1.00 32.42 C ATOM 1184 CZ PHE A 71 -0.838 -3.978 2.489 1.00 65.33 C ATOM 0 H PHE A 71 2.924 -4.557 5.918 1.00 62.45 H new ATOM 0 HA PHE A 71 0.323 -5.092 7.135 1.00 2.35 H new ATOM 0 HB2 PHE A 71 2.130 -6.594 5.190 1.00 73.54 H new ATOM 0 HB3 PHE A 71 0.573 -7.189 5.732 1.00 73.54 H new ATOM 0 HD1 PHE A 71 2.242 -4.534 3.710 1.00 20.24 H new ATOM 0 HD2 PHE A 71 -1.499 -6.220 4.902 1.00 33.23 H new ATOM 0 HE1 PHE A 71 1.087 -3.211 2.001 1.00 21.05 H new ATOM 0 HE2 PHE A 71 -2.632 -4.909 3.176 1.00 32.42 H new ATOM 0 HZ PHE A 71 -1.342 -3.393 1.734 1.00 65.33 H new ATOM 1194 N GLU A 72 0.857 -6.766 8.891 1.00 1.02 N ATOM 1195 CA GLU A 72 1.141 -7.538 10.122 1.00 25.12 C ATOM 1196 C GLU A 72 1.874 -8.867 9.819 1.00 40.14 C ATOM 1197 O GLU A 72 2.646 -9.373 10.644 1.00 2.34 O ATOM 1198 CB GLU A 72 -0.170 -7.818 10.920 1.00 64.11 C ATOM 1199 CG GLU A 72 -1.144 -8.851 10.304 1.00 44.14 C ATOM 1200 CD GLU A 72 -1.867 -8.372 9.042 1.00 34.03 C ATOM 1201 OE1 GLU A 72 -1.310 -8.497 7.922 1.00 64.23 O ATOM 1202 OE2 GLU A 72 -2.995 -7.866 9.168 1.00 0.13 O ATOM 0 H GLU A 72 -0.132 -6.544 8.778 1.00 1.02 H new ATOM 0 HA GLU A 72 1.803 -6.925 10.734 1.00 25.12 H new ATOM 0 HB2 GLU A 72 0.104 -8.160 11.918 1.00 64.11 H new ATOM 0 HB3 GLU A 72 -0.704 -6.875 11.041 1.00 64.11 H new ATOM 0 HG2 GLU A 72 -0.588 -9.758 10.066 1.00 44.14 H new ATOM 0 HG3 GLU A 72 -1.888 -9.121 11.053 1.00 44.14 H new ATOM 1209 N LYS A 73 1.579 -9.429 8.640 1.00 72.41 N ATOM 1210 CA LYS A 73 2.256 -10.610 8.102 1.00 61.34 C ATOM 1211 C LYS A 73 3.168 -10.189 6.941 1.00 71.11 C ATOM 1212 O LYS A 73 4.399 -10.300 7.025 1.00 62.02 O ATOM 1213 CB LYS A 73 1.207 -11.655 7.622 1.00 61.34 C ATOM 1214 CG LYS A 73 0.271 -12.249 8.718 1.00 72.20 C ATOM 1215 CD LYS A 73 0.825 -13.528 9.410 1.00 55.21 C ATOM 1216 CE LYS A 73 2.114 -13.308 10.218 1.00 14.33 C ATOM 1217 NZ LYS A 73 2.543 -14.548 10.920 1.00 20.42 N ATOM 0 H LYS A 73 0.850 -9.068 8.025 1.00 72.41 H new ATOM 0 HA LYS A 73 2.863 -11.069 8.882 1.00 61.34 H new ATOM 0 HB2 LYS A 73 0.585 -11.189 6.857 1.00 61.34 H new ATOM 0 HB3 LYS A 73 1.738 -12.478 7.143 1.00 61.34 H new ATOM 0 HG2 LYS A 73 0.092 -11.488 9.478 1.00 72.20 H new ATOM 0 HG3 LYS A 73 -0.694 -12.483 8.267 1.00 72.20 H new ATOM 0 HD2 LYS A 73 0.059 -13.927 10.074 1.00 55.21 H new ATOM 0 HD3 LYS A 73 1.013 -14.285 8.649 1.00 55.21 H new ATOM 0 HE2 LYS A 73 2.909 -12.974 9.551 1.00 14.33 H new ATOM 0 HE3 LYS A 73 1.955 -12.514 10.947 1.00 14.33 H new ATOM 0 HZ1 LYS A 73 3.415 -14.360 11.454 1.00 20.42 H new ATOM 0 HZ2 LYS A 73 1.795 -14.853 11.575 1.00 20.42 H new ATOM 0 HZ3 LYS A 73 2.719 -15.299 10.222 1.00 20.42 H new ATOM 1231 N GLY A 74 2.535 -9.659 5.878 1.00 0.35 N ATOM 1232 CA GLY A 74 3.225 -9.376 4.626 1.00 20.35 C ATOM 1233 C GLY A 74 3.664 -10.659 3.930 1.00 23.13 C ATOM 1234 O GLY A 74 4.850 -10.854 3.645 1.00 2.34 O ATOM 0 H GLY A 74 1.543 -9.421 5.871 1.00 0.35 H new ATOM 0 HA2 GLY A 74 2.568 -8.809 3.967 1.00 20.35 H new ATOM 0 HA3 GLY A 74 4.096 -8.751 4.822 1.00 20.35 H new ATOM 1238 N LEU A 75 2.672 -11.531 3.667 1.00 62.21 N ATOM 1239 CA LEU A 75 2.883 -12.902 3.181 1.00 32.32 C ATOM 1240 C LEU A 75 3.437 -12.906 1.738 1.00 11.01 C ATOM 1241 O LEU A 75 2.908 -12.203 0.875 1.00 54.30 O ATOM 1242 CB LEU A 75 1.552 -13.709 3.278 1.00 72.11 C ATOM 1243 CG LEU A 75 1.056 -13.980 4.731 1.00 61.44 C ATOM 1244 CD1 LEU A 75 -0.331 -14.647 4.762 1.00 53.02 C ATOM 1245 CD2 LEU A 75 2.092 -14.805 5.520 1.00 34.31 C ATOM 0 H LEU A 75 1.687 -11.296 3.789 1.00 62.21 H new ATOM 0 HA LEU A 75 3.629 -13.384 3.813 1.00 32.32 H new ATOM 0 HB2 LEU A 75 0.775 -13.167 2.739 1.00 72.11 H new ATOM 0 HB3 LEU A 75 1.685 -14.664 2.770 1.00 72.11 H new ATOM 0 HG LEU A 75 0.947 -13.011 5.219 1.00 61.44 H new ATOM 0 HD11 LEU A 75 -0.631 -14.815 5.796 1.00 53.02 H new ATOM 0 HD12 LEU A 75 -1.058 -13.998 4.274 1.00 53.02 H new ATOM 0 HD13 LEU A 75 -0.287 -15.602 4.238 1.00 53.02 H new ATOM 0 HD21 LEU A 75 1.723 -14.981 6.531 1.00 34.31 H new ATOM 0 HD22 LEU A 75 2.253 -15.760 5.021 1.00 34.31 H new ATOM 0 HD23 LEU A 75 3.033 -14.257 5.567 1.00 34.31 H new ATOM 1257 N PRO A 76 4.509 -13.716 1.466 1.00 63.34 N ATOM 1258 CA PRO A 76 5.263 -13.665 0.189 1.00 74.04 C ATOM 1259 C PRO A 76 4.517 -14.348 -0.980 1.00 74.41 C ATOM 1260 O PRO A 76 3.445 -14.935 -0.795 1.00 61.30 O ATOM 1261 CB PRO A 76 6.594 -14.408 0.536 1.00 34.40 C ATOM 1262 CG PRO A 76 6.529 -14.717 2.014 1.00 53.03 C ATOM 1263 CD PRO A 76 5.066 -14.767 2.356 1.00 64.13 C ATOM 0 HA PRO A 76 5.413 -12.644 -0.161 1.00 74.04 H new ATOM 0 HB2 PRO A 76 6.694 -15.322 -0.049 1.00 34.40 H new ATOM 0 HB3 PRO A 76 7.459 -13.786 0.306 1.00 34.40 H new ATOM 0 HG2 PRO A 76 7.016 -15.666 2.237 1.00 53.03 H new ATOM 0 HG3 PRO A 76 7.041 -13.951 2.597 1.00 53.03 H new ATOM 0 HD2 PRO A 76 4.632 -15.746 2.153 1.00 64.13 H new ATOM 0 HD3 PRO A 76 4.885 -14.550 3.409 1.00 64.13 H new ATOM 1271 N GLY A 77 5.114 -14.268 -2.179 1.00 53.14 N ATOM 1272 CA GLY A 77 4.568 -14.886 -3.390 1.00 72.43 C ATOM 1273 C GLY A 77 4.536 -13.911 -4.547 1.00 0.13 C ATOM 1274 O GLY A 77 4.894 -12.738 -4.387 1.00 35.32 O ATOM 0 H GLY A 77 5.991 -13.771 -2.333 1.00 53.14 H new ATOM 0 HA2 GLY A 77 5.171 -15.753 -3.660 1.00 72.43 H new ATOM 0 HA3 GLY A 77 3.560 -15.249 -3.191 1.00 72.43 H new ATOM 1278 N GLN A 78 4.096 -14.396 -5.718 1.00 22.25 N ATOM 1279 CA GLN A 78 4.008 -13.586 -6.943 1.00 74.55 C ATOM 1280 C GLN A 78 2.629 -12.893 -7.007 1.00 34.14 C ATOM 1281 O GLN A 78 1.697 -13.352 -7.680 1.00 73.33 O ATOM 1282 CB GLN A 78 4.294 -14.471 -8.201 1.00 73.10 C ATOM 1283 CG GLN A 78 4.309 -13.730 -9.563 1.00 74.31 C ATOM 1284 CD GLN A 78 5.317 -12.573 -9.624 1.00 2.44 C ATOM 1285 OE1 GLN A 78 4.984 -11.428 -9.318 1.00 2.12 O ATOM 1286 NE2 GLN A 78 6.555 -12.863 -10.005 1.00 11.44 N ATOM 0 H GLN A 78 3.791 -15.361 -5.843 1.00 22.25 H new ATOM 0 HA GLN A 78 4.768 -12.805 -6.928 1.00 74.55 H new ATOM 0 HB2 GLN A 78 5.259 -14.960 -8.065 1.00 73.10 H new ATOM 0 HB3 GLN A 78 3.541 -15.258 -8.246 1.00 73.10 H new ATOM 0 HG2 GLN A 78 4.541 -14.444 -10.353 1.00 74.31 H new ATOM 0 HG3 GLN A 78 3.311 -13.342 -9.767 1.00 74.31 H new ATOM 0 HE21 GLN A 78 6.801 -13.821 -10.253 1.00 11.44 H new ATOM 0 HE22 GLN A 78 7.260 -12.127 -10.050 1.00 11.44 H new ATOM 1295 N ALA A 79 2.491 -11.830 -6.200 1.00 41.53 N ATOM 1296 CA ALA A 79 1.319 -10.928 -6.214 1.00 41.40 C ATOM 1297 C ALA A 79 1.759 -9.488 -6.550 1.00 11.30 C ATOM 1298 O ALA A 79 1.121 -8.513 -6.133 1.00 70.32 O ATOM 1299 CB ALA A 79 0.560 -11.015 -4.879 1.00 73.25 C ATOM 0 H ALA A 79 3.195 -11.566 -5.511 1.00 41.53 H new ATOM 0 HA ALA A 79 0.627 -11.244 -6.995 1.00 41.40 H new ATOM 0 HB1 ALA A 79 -0.300 -10.345 -4.905 1.00 73.25 H new ATOM 0 HB2 ALA A 79 0.219 -12.038 -4.721 1.00 73.25 H new ATOM 0 HB3 ALA A 79 1.223 -10.723 -4.064 1.00 73.25 H new ATOM 1305 N LEU A 80 2.866 -9.364 -7.307 1.00 63.34 N ATOM 1306 CA LEU A 80 3.327 -8.071 -7.846 1.00 31.13 C ATOM 1307 C LEU A 80 2.368 -7.612 -8.962 1.00 11.10 C ATOM 1308 O LEU A 80 2.322 -8.214 -10.038 1.00 12.11 O ATOM 1309 CB LEU A 80 4.781 -8.205 -8.374 1.00 3.22 C ATOM 1310 CG LEU A 80 5.854 -8.543 -7.292 1.00 70.43 C ATOM 1311 CD1 LEU A 80 7.248 -8.759 -7.914 1.00 71.14 C ATOM 1312 CD2 LEU A 80 5.888 -7.455 -6.201 1.00 73.12 C ATOM 0 H LEU A 80 3.462 -10.152 -7.561 1.00 63.34 H new ATOM 0 HA LEU A 80 3.325 -7.319 -7.057 1.00 31.13 H new ATOM 0 HB2 LEU A 80 4.802 -8.982 -9.139 1.00 3.22 H new ATOM 0 HB3 LEU A 80 5.061 -7.271 -8.861 1.00 3.22 H new ATOM 0 HG LEU A 80 5.567 -9.485 -6.824 1.00 70.43 H new ATOM 0 HD11 LEU A 80 7.965 -8.992 -7.127 1.00 71.14 H new ATOM 0 HD12 LEU A 80 7.206 -9.586 -8.623 1.00 71.14 H new ATOM 0 HD13 LEU A 80 7.560 -7.852 -8.432 1.00 71.14 H new ATOM 0 HD21 LEU A 80 6.642 -7.710 -5.457 1.00 73.12 H new ATOM 0 HD22 LEU A 80 6.134 -6.494 -6.653 1.00 73.12 H new ATOM 0 HD23 LEU A 80 4.912 -7.391 -5.721 1.00 73.12 H new ATOM 1324 N GLY A 81 1.584 -6.564 -8.672 1.00 72.42 N ATOM 1325 CA GLY A 81 0.524 -6.091 -9.570 1.00 32.12 C ATOM 1326 C GLY A 81 -0.863 -6.252 -8.963 1.00 5.33 C ATOM 1327 O GLY A 81 -1.852 -5.815 -9.569 1.00 63.14 O ATOM 0 H GLY A 81 1.667 -6.023 -7.811 1.00 72.42 H new ATOM 0 HA2 GLY A 81 0.694 -5.041 -9.808 1.00 32.12 H new ATOM 0 HA3 GLY A 81 0.573 -6.643 -10.509 1.00 32.12 H new ATOM 1331 N ASP A 82 -0.938 -6.902 -7.774 1.00 71.53 N ATOM 1332 CA ASP A 82 -2.207 -7.132 -7.047 1.00 54.12 C ATOM 1333 C ASP A 82 -2.784 -5.793 -6.555 1.00 41.04 C ATOM 1334 O ASP A 82 -2.032 -4.891 -6.158 1.00 71.03 O ATOM 1335 CB ASP A 82 -1.995 -8.106 -5.849 1.00 21.34 C ATOM 1336 CG ASP A 82 -3.315 -8.655 -5.247 1.00 10.44 C ATOM 1337 OD1 ASP A 82 -3.911 -8.014 -4.359 1.00 54.03 O ATOM 1338 OD2 ASP A 82 -3.772 -9.729 -5.690 1.00 23.13 O ATOM 0 H ASP A 82 -0.120 -7.280 -7.295 1.00 71.53 H new ATOM 0 HA ASP A 82 -2.918 -7.592 -7.734 1.00 54.12 H new ATOM 0 HB2 ASP A 82 -1.381 -8.944 -6.179 1.00 21.34 H new ATOM 0 HB3 ASP A 82 -1.437 -7.590 -5.068 1.00 21.34 H new ATOM 1343 N TYR A 83 -4.116 -5.676 -6.587 1.00 22.55 N ATOM 1344 CA TYR A 83 -4.829 -4.437 -6.280 1.00 73.43 C ATOM 1345 C TYR A 83 -5.241 -4.396 -4.808 1.00 20.14 C ATOM 1346 O TYR A 83 -5.931 -5.295 -4.317 1.00 55.22 O ATOM 1347 CB TYR A 83 -6.062 -4.311 -7.198 1.00 31.03 C ATOM 1348 CG TYR A 83 -5.694 -4.225 -8.685 1.00 23.30 C ATOM 1349 CD1 TYR A 83 -5.333 -3.008 -9.258 1.00 3.52 C ATOM 1350 CD2 TYR A 83 -5.693 -5.356 -9.510 1.00 71.14 C ATOM 1351 CE1 TYR A 83 -4.996 -2.915 -10.593 1.00 74.30 C ATOM 1352 CE2 TYR A 83 -5.354 -5.266 -10.846 1.00 51.32 C ATOM 1353 CZ TYR A 83 -5.006 -4.048 -11.382 1.00 32.30 C ATOM 1354 OH TYR A 83 -4.671 -3.964 -12.721 1.00 34.12 O ATOM 0 H TYR A 83 -4.734 -6.450 -6.830 1.00 22.55 H new ATOM 0 HA TYR A 83 -4.164 -3.592 -6.460 1.00 73.43 H new ATOM 0 HB2 TYR A 83 -6.715 -5.169 -7.040 1.00 31.03 H new ATOM 0 HB3 TYR A 83 -6.628 -3.423 -6.917 1.00 31.03 H new ATOM 0 HD1 TYR A 83 -5.316 -2.119 -8.645 1.00 3.52 H new ATOM 0 HD2 TYR A 83 -5.962 -6.316 -9.095 1.00 71.14 H new ATOM 0 HE1 TYR A 83 -4.726 -1.960 -11.019 1.00 74.30 H new ATOM 0 HE2 TYR A 83 -5.362 -6.149 -11.468 1.00 51.32 H new ATOM 0 HH TYR A 83 -4.728 -4.853 -13.129 1.00 34.12 H new ATOM 1364 N VAL A 84 -4.813 -3.338 -4.123 1.00 51.54 N ATOM 1365 CA VAL A 84 -5.141 -3.095 -2.720 1.00 33.52 C ATOM 1366 C VAL A 84 -6.275 -2.053 -2.641 1.00 43.24 C ATOM 1367 O VAL A 84 -6.357 -1.143 -3.483 1.00 3.23 O ATOM 1368 CB VAL A 84 -3.879 -2.598 -1.912 1.00 3.10 C ATOM 1369 CG1 VAL A 84 -2.677 -3.550 -2.086 1.00 41.24 C ATOM 1370 CG2 VAL A 84 -3.472 -1.158 -2.273 1.00 72.44 C ATOM 0 H VAL A 84 -4.221 -2.616 -4.532 1.00 51.54 H new ATOM 0 HA VAL A 84 -5.469 -4.032 -2.269 1.00 33.52 H new ATOM 0 HB VAL A 84 -4.177 -2.603 -0.863 1.00 3.10 H new ATOM 0 HG11 VAL A 84 -1.829 -3.173 -1.515 1.00 41.24 H new ATOM 0 HG12 VAL A 84 -2.945 -4.543 -1.726 1.00 41.24 H new ATOM 0 HG13 VAL A 84 -2.408 -3.607 -3.141 1.00 41.24 H new ATOM 0 HG21 VAL A 84 -2.599 -0.869 -1.688 1.00 72.44 H new ATOM 0 HG22 VAL A 84 -3.231 -1.103 -3.335 1.00 72.44 H new ATOM 0 HG23 VAL A 84 -4.297 -0.481 -2.053 1.00 72.44 H new ATOM 1380 N GLU A 85 -7.177 -2.218 -1.666 1.00 43.42 N ATOM 1381 CA GLU A 85 -8.191 -1.200 -1.340 1.00 74.42 C ATOM 1382 C GLU A 85 -7.816 -0.555 -0.013 1.00 0.14 C ATOM 1383 O GLU A 85 -7.939 -1.163 1.055 1.00 71.04 O ATOM 1384 CB GLU A 85 -9.600 -1.836 -1.284 1.00 4.23 C ATOM 1385 CG GLU A 85 -10.065 -2.397 -2.638 1.00 20.11 C ATOM 1386 CD GLU A 85 -11.467 -3.005 -2.584 1.00 43.22 C ATOM 1387 OE1 GLU A 85 -12.455 -2.279 -2.812 1.00 72.22 O ATOM 1388 OE2 GLU A 85 -11.588 -4.218 -2.316 1.00 22.23 O ATOM 0 H GLU A 85 -7.227 -3.053 -1.083 1.00 43.42 H new ATOM 0 HA GLU A 85 -8.218 -0.434 -2.115 1.00 74.42 H new ATOM 0 HB2 GLU A 85 -9.600 -2.638 -0.546 1.00 4.23 H new ATOM 0 HB3 GLU A 85 -10.316 -1.088 -0.943 1.00 4.23 H new ATOM 0 HG2 GLU A 85 -10.050 -1.599 -3.380 1.00 20.11 H new ATOM 0 HG3 GLU A 85 -9.358 -3.157 -2.972 1.00 20.11 H new ATOM 1395 N ILE A 86 -7.363 0.697 -0.101 1.00 50.03 N ATOM 1396 CA ILE A 86 -6.866 1.454 1.037 1.00 73.10 C ATOM 1397 C ILE A 86 -8.041 2.196 1.691 1.00 2.33 C ATOM 1398 O ILE A 86 -8.479 3.244 1.199 1.00 70.44 O ATOM 1399 CB ILE A 86 -5.727 2.453 0.609 1.00 55.41 C ATOM 1400 CG1 ILE A 86 -4.639 1.727 -0.238 1.00 4.34 C ATOM 1401 CG2 ILE A 86 -5.097 3.097 1.850 1.00 55.23 C ATOM 1402 CD1 ILE A 86 -3.564 2.629 -0.834 1.00 54.24 C ATOM 0 H ILE A 86 -7.333 1.216 -0.979 1.00 50.03 H new ATOM 0 HA ILE A 86 -6.425 0.767 1.760 1.00 73.10 H new ATOM 0 HB ILE A 86 -6.170 3.235 -0.008 1.00 55.41 H new ATOM 0 HG12 ILE A 86 -4.155 0.978 0.389 1.00 4.34 H new ATOM 0 HG13 ILE A 86 -5.132 1.192 -1.050 1.00 4.34 H new ATOM 0 HG21 ILE A 86 -4.310 3.786 1.543 1.00 55.23 H new ATOM 0 HG22 ILE A 86 -5.861 3.642 2.404 1.00 55.23 H new ATOM 0 HG23 ILE A 86 -4.671 2.321 2.486 1.00 55.23 H new ATOM 0 HD11 ILE A 86 -2.857 2.025 -1.404 1.00 54.24 H new ATOM 0 HD12 ILE A 86 -4.029 3.362 -1.493 1.00 54.24 H new ATOM 0 HD13 ILE A 86 -3.036 3.145 -0.032 1.00 54.24 H new ATOM 1414 N VAL A 87 -8.579 1.600 2.765 1.00 34.24 N ATOM 1415 CA VAL A 87 -9.758 2.111 3.461 1.00 32.35 C ATOM 1416 C VAL A 87 -9.338 3.090 4.580 1.00 32.30 C ATOM 1417 O VAL A 87 -8.426 2.800 5.356 1.00 74.42 O ATOM 1418 CB VAL A 87 -10.641 0.945 4.059 1.00 12.12 C ATOM 1419 CG1 VAL A 87 -12.015 1.476 4.543 1.00 14.52 C ATOM 1420 CG2 VAL A 87 -10.816 -0.220 3.050 1.00 4.32 C ATOM 0 H VAL A 87 -8.202 0.745 3.174 1.00 34.24 H new ATOM 0 HA VAL A 87 -10.366 2.642 2.728 1.00 32.35 H new ATOM 0 HB VAL A 87 -10.110 0.548 4.924 1.00 12.12 H new ATOM 0 HG11 VAL A 87 -12.601 0.652 4.949 1.00 14.52 H new ATOM 0 HG12 VAL A 87 -11.862 2.229 5.317 1.00 14.52 H new ATOM 0 HG13 VAL A 87 -12.549 1.922 3.704 1.00 14.52 H new ATOM 0 HG21 VAL A 87 -11.429 -1.001 3.499 1.00 4.32 H new ATOM 0 HG22 VAL A 87 -11.303 0.150 2.148 1.00 4.32 H new ATOM 0 HG23 VAL A 87 -9.839 -0.628 2.793 1.00 4.32 H new ATOM 1430 N LEU A 88 -9.981 4.262 4.624 1.00 24.32 N ATOM 1431 CA LEU A 88 -9.822 5.238 5.706 1.00 4.55 C ATOM 1432 C LEU A 88 -11.187 5.370 6.388 1.00 21.12 C ATOM 1433 O LEU A 88 -12.187 5.683 5.737 1.00 61.32 O ATOM 1434 CB LEU A 88 -9.289 6.592 5.139 1.00 44.43 C ATOM 1435 CG LEU A 88 -8.961 7.756 6.156 1.00 72.45 C ATOM 1436 CD1 LEU A 88 -10.217 8.549 6.593 1.00 14.14 C ATOM 1437 CD2 LEU A 88 -8.177 7.232 7.391 1.00 32.34 C ATOM 0 H LEU A 88 -10.634 4.562 3.900 1.00 24.32 H new ATOM 0 HA LEU A 88 -9.084 4.916 6.441 1.00 4.55 H new ATOM 0 HB2 LEU A 88 -8.382 6.381 4.573 1.00 44.43 H new ATOM 0 HB3 LEU A 88 -10.027 6.968 4.430 1.00 44.43 H new ATOM 0 HG LEU A 88 -8.321 8.455 5.617 1.00 72.45 H new ATOM 0 HD11 LEU A 88 -9.927 9.334 7.291 1.00 14.14 H new ATOM 0 HD12 LEU A 88 -10.687 8.997 5.718 1.00 14.14 H new ATOM 0 HD13 LEU A 88 -10.922 7.875 7.078 1.00 14.14 H new ATOM 0 HD21 LEU A 88 -7.969 8.060 8.068 1.00 32.34 H new ATOM 0 HD22 LEU A 88 -8.774 6.481 7.909 1.00 32.34 H new ATOM 0 HD23 LEU A 88 -7.238 6.787 7.063 1.00 32.34 H new ATOM 1449 N GLU A 89 -11.223 5.093 7.690 1.00 15.51 N ATOM 1450 CA GLU A 89 -12.436 5.166 8.507 1.00 53.35 C ATOM 1451 C GLU A 89 -12.560 6.577 9.113 1.00 72.43 C ATOM 1452 O GLU A 89 -11.539 7.220 9.395 1.00 24.33 O ATOM 1453 CB GLU A 89 -12.387 4.099 9.636 1.00 63.21 C ATOM 1454 CG GLU A 89 -12.347 2.621 9.160 1.00 62.12 C ATOM 1455 CD GLU A 89 -11.022 2.155 8.495 1.00 62.33 C ATOM 1456 OE1 GLU A 89 -9.944 2.733 8.785 1.00 54.24 O ATOM 1457 OE2 GLU A 89 -11.055 1.171 7.723 1.00 20.55 O ATOM 0 H GLU A 89 -10.398 4.807 8.217 1.00 15.51 H new ATOM 0 HA GLU A 89 -13.305 4.966 7.880 1.00 53.35 H new ATOM 0 HB2 GLU A 89 -11.508 4.288 10.252 1.00 63.21 H new ATOM 0 HB3 GLU A 89 -13.259 4.233 10.276 1.00 63.21 H new ATOM 0 HG2 GLU A 89 -12.545 1.978 10.018 1.00 62.12 H new ATOM 0 HG3 GLU A 89 -13.160 2.466 8.451 1.00 62.12 H new ATOM 1464 N HIS A 90 -13.801 7.064 9.310 1.00 55.24 N ATOM 1465 CA HIS A 90 -14.063 8.361 9.979 1.00 34.24 C ATOM 1466 C HIS A 90 -14.752 8.115 11.343 1.00 53.55 C ATOM 1467 O HIS A 90 -15.626 7.242 11.456 1.00 72.31 O ATOM 1468 CB HIS A 90 -14.903 9.306 9.061 1.00 2.42 C ATOM 1469 CG HIS A 90 -16.318 8.860 8.769 1.00 1.45 C ATOM 1470 ND1 HIS A 90 -16.640 7.991 7.750 1.00 15.30 N ATOM 1471 CD2 HIS A 90 -17.497 9.200 9.348 1.00 34.32 C ATOM 1472 CE1 HIS A 90 -17.944 7.820 7.714 1.00 51.02 C ATOM 1473 NE2 HIS A 90 -18.485 8.542 8.674 1.00 5.23 N ATOM 0 H HIS A 90 -14.646 6.576 9.014 1.00 55.24 H new ATOM 0 HA HIS A 90 -13.115 8.866 10.164 1.00 34.24 H new ATOM 0 HB2 HIS A 90 -14.942 10.291 9.526 1.00 2.42 H new ATOM 0 HB3 HIS A 90 -14.377 9.422 8.114 1.00 2.42 H new ATOM 0 HD2 HIS A 90 -17.629 9.867 10.187 1.00 34.32 H new ATOM 0 HE1 HIS A 90 -18.480 7.194 7.016 1.00 51.02 H new ATOM 0 HE2 HIS A 90 -19.482 8.600 8.881 1.00 5.23 H new ATOM 1482 N HIS A 91 -14.323 8.864 12.373 1.00 63.24 N ATOM 1483 CA HIS A 91 -14.877 8.792 13.737 1.00 72.53 C ATOM 1484 C HIS A 91 -14.703 10.181 14.401 1.00 15.44 C ATOM 1485 O HIS A 91 -13.571 10.529 14.783 1.00 54.51 O ATOM 1486 CB HIS A 91 -14.178 7.657 14.553 1.00 23.03 C ATOM 1487 CG HIS A 91 -14.663 7.511 15.982 1.00 72.35 C ATOM 1488 ND1 HIS A 91 -15.811 6.824 16.316 1.00 14.34 N ATOM 1489 CD2 HIS A 91 -14.143 7.947 17.162 1.00 33.32 C ATOM 1490 CE1 HIS A 91 -15.974 6.849 17.625 1.00 4.34 C ATOM 1491 NE2 HIS A 91 -14.979 7.520 18.158 1.00 11.50 N ATOM 0 H HIS A 91 -13.571 9.547 12.281 1.00 63.24 H new ATOM 0 HA HIS A 91 -15.938 8.543 13.708 1.00 72.53 H new ATOM 0 HB2 HIS A 91 -14.329 6.710 14.034 1.00 23.03 H new ATOM 0 HB3 HIS A 91 -13.105 7.846 14.566 1.00 23.03 H new ATOM 0 HD2 HIS A 91 -13.238 8.523 17.289 1.00 33.32 H new ATOM 0 HE1 HIS A 91 -16.789 6.394 18.167 1.00 4.34 H new ATOM 0 HE2 HIS A 91 -14.850 7.695 19.155 1.00 11.50 H new TER 1500 HIS A 91