USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 605 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 11 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 1.2: A 49 GLN : amide:sc= -6.33! C(o=-6.3!,f=-7.5!) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 158:sc= 0.545 (180deg=0) USER MOD Set 2.2: A 6 SER OG : rot 34:sc= 0.819 USER MOD Single : A 1 LEU N :NH3+ 169:sc= -4.35! (180deg=-5.09!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc=-0.00884 X(o=-0.0088,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= 0.116 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -17.6! C(o=-18!,f=-22!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -167:sc= -0.688 USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.912! (180deg=-1.49!) USER MOD Single : A 46 TYR OH : rot 180:sc= -2.28! USER MOD Single : A 47 LYS NZ :NH3+ 152:sc= -1.04 (180deg=-1.44) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= -0.091 (180deg=-0.668) USER MOD Single : A 58 ASN : amide:sc= -1.84 K(o=-1.8,f=-0.53) USER MOD Single : A 61 THR OG1 : rot 81:sc= 1.1 USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0.00281 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 150:sc= -0.0326 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -27.472 -10.081 3.409 1.00 0.00 N ATOM 2 CA LEU A 1 -26.350 -11.056 3.460 1.00 0.00 C ATOM 3 C LEU A 1 -24.997 -10.350 3.418 1.00 0.00 C ATOM 4 O LEU A 1 -24.029 -10.876 2.871 1.00 0.00 O ATOM 5 CB LEU A 1 -26.481 -12.038 2.284 1.00 0.00 C ATOM 6 CG LEU A 1 -26.736 -11.412 0.903 1.00 0.00 C ATOM 7 CD1 LEU A 1 -28.166 -10.904 0.790 1.00 0.00 C ATOM 8 CD2 LEU A 1 -25.744 -10.295 0.615 1.00 0.00 C ATOM 0 H1 LEU A 1 -28.366 -10.588 3.252 1.00 0.00 H new ATOM 0 H2 LEU A 1 -27.522 -9.562 4.309 1.00 0.00 H new ATOM 0 H3 LEU A 1 -27.313 -9.410 2.631 1.00 0.00 H new ATOM 0 HA LEU A 1 -26.403 -11.602 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -25.568 -12.630 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -27.296 -12.728 2.503 1.00 0.00 H new ATOM 0 HG LEU A 1 -26.592 -12.191 0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -28.320 -10.466 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -28.859 -11.733 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -28.345 -10.148 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -25.949 -9.871 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -25.841 -9.518 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -24.730 -10.695 0.634 1.00 0.00 H new ATOM 22 N LYS A 2 -24.938 -9.157 4.004 1.00 0.00 N ATOM 23 CA LYS A 2 -23.704 -8.381 4.033 1.00 0.00 C ATOM 24 C LYS A 2 -23.840 -7.177 4.959 1.00 0.00 C ATOM 25 O LYS A 2 -24.511 -6.200 4.628 1.00 0.00 O ATOM 26 CB LYS A 2 -23.336 -7.916 2.623 1.00 0.00 C ATOM 27 CG LYS A 2 -21.852 -7.644 2.439 1.00 0.00 C ATOM 28 CD LYS A 2 -21.480 -7.555 0.969 1.00 0.00 C ATOM 29 CE LYS A 2 -20.462 -6.454 0.717 1.00 0.00 C ATOM 30 NZ LYS A 2 -19.070 -6.982 0.673 1.00 0.00 N ATOM 0 H LYS A 2 -25.730 -8.708 4.464 1.00 0.00 H new ATOM 0 HA LYS A 2 -22.910 -9.022 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -23.649 -8.675 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -23.894 -7.009 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -21.587 -6.713 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.274 -8.437 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.074 -8.510 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.375 -7.366 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.691 -5.957 -0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.540 -5.701 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.464 -6.319 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.709 -7.090 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -19.064 -7.907 0.197 1.00 0.00 H new ATOM 44 N LYS A 3 -23.199 -7.255 6.121 1.00 0.00 N ATOM 45 CA LYS A 3 -23.248 -6.170 7.096 1.00 0.00 C ATOM 46 C LYS A 3 -21.856 -5.854 7.632 1.00 0.00 C ATOM 47 O LYS A 3 -21.465 -4.691 7.724 1.00 0.00 O ATOM 48 CB LYS A 3 -24.181 -6.539 8.251 1.00 0.00 C ATOM 49 CG LYS A 3 -24.825 -5.335 8.919 1.00 0.00 C ATOM 50 CD LYS A 3 -25.748 -5.752 10.053 1.00 0.00 C ATOM 51 CE LYS A 3 -25.100 -5.528 11.410 1.00 0.00 C ATOM 52 NZ LYS A 3 -26.011 -5.898 12.529 1.00 0.00 N ATOM 0 H LYS A 3 -22.640 -8.057 6.411 1.00 0.00 H new ATOM 0 HA LYS A 3 -23.633 -5.282 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.964 -7.200 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -23.618 -7.101 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -24.049 -4.674 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -25.389 -4.767 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -26.677 -5.185 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -26.009 -6.804 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.185 -6.117 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -24.813 -4.481 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.532 -5.731 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.873 -5.319 12.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -26.265 -6.904 12.452 1.00 0.00 H new ATOM 66 N THR A 4 -21.113 -6.898 7.985 1.00 0.00 N ATOM 67 CA THR A 4 -19.763 -6.731 8.512 1.00 0.00 C ATOM 68 C THR A 4 -18.802 -7.729 7.874 1.00 0.00 C ATOM 69 O THR A 4 -17.704 -7.366 7.452 1.00 0.00 O ATOM 70 CB THR A 4 -19.760 -6.903 10.032 1.00 0.00 C ATOM 71 OG1 THR A 4 -18.435 -6.945 10.530 1.00 0.00 O ATOM 72 CG2 THR A 4 -20.464 -8.161 10.494 1.00 0.00 C ATOM 0 H THR A 4 -21.422 -7.868 7.916 1.00 0.00 H new ATOM 0 HA THR A 4 -19.427 -5.723 8.267 1.00 0.00 H new ATOM 0 HB THR A 4 -20.301 -6.040 10.421 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.455 -7.054 11.504 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.425 -8.221 11.582 1.00 0.00 H new ATOM 0 HG22 THR A 4 -21.504 -8.136 10.169 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.970 -9.033 10.065 1.00 0.00 H new ATOM 80 N SER A 5 -19.222 -8.988 7.808 1.00 0.00 N ATOM 81 CA SER A 5 -18.399 -10.040 7.221 1.00 0.00 C ATOM 82 C SER A 5 -18.075 -9.727 5.765 1.00 0.00 C ATOM 83 O SER A 5 -18.973 -9.568 4.939 1.00 0.00 O ATOM 84 CB SER A 5 -19.111 -11.388 7.321 1.00 0.00 C ATOM 85 OG SER A 5 -18.179 -12.454 7.394 1.00 0.00 O ATOM 0 H SER A 5 -20.128 -9.305 8.154 1.00 0.00 H new ATOM 0 HA SER A 5 -17.464 -10.090 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.751 -11.400 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.759 -11.526 6.455 1.00 0.00 H new ATOM 0 HG SER A 5 -18.660 -13.305 7.459 1.00 0.00 H new ATOM 91 N SER A 6 -16.784 -9.642 5.456 1.00 0.00 N ATOM 92 CA SER A 6 -16.342 -9.348 4.097 1.00 0.00 C ATOM 93 C SER A 6 -14.927 -9.867 3.862 1.00 0.00 C ATOM 94 O SER A 6 -14.126 -9.962 4.792 1.00 0.00 O ATOM 95 CB SER A 6 -16.397 -7.842 3.834 1.00 0.00 C ATOM 96 OG SER A 6 -17.648 -7.465 3.286 1.00 0.00 O ATOM 0 H SER A 6 -16.027 -9.772 6.127 1.00 0.00 H new ATOM 0 HA SER A 6 -17.015 -9.854 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.226 -7.301 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.597 -7.560 3.150 1.00 0.00 H new ATOM 0 HG SER A 6 -18.355 -8.028 3.666 1.00 0.00 H new ATOM 102 N SER A 7 -14.624 -10.198 2.611 1.00 0.00 N ATOM 103 CA SER A 7 -13.305 -10.707 2.251 1.00 0.00 C ATOM 104 C SER A 7 -12.549 -9.699 1.392 1.00 0.00 C ATOM 105 O SER A 7 -13.017 -9.304 0.324 1.00 0.00 O ATOM 106 CB SER A 7 -13.434 -12.035 1.503 1.00 0.00 C ATOM 107 OG SER A 7 -13.297 -13.135 2.386 1.00 0.00 O ATOM 0 H SER A 7 -15.274 -10.123 1.829 1.00 0.00 H new ATOM 0 HA SER A 7 -12.743 -10.869 3.171 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.403 -12.083 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.673 -12.093 0.725 1.00 0.00 H new ATOM 0 HG SER A 7 -13.385 -13.971 1.883 1.00 0.00 H new ATOM 113 N GLY A 8 -11.379 -9.283 1.867 1.00 0.00 N ATOM 114 CA GLY A 8 -10.579 -8.324 1.130 1.00 0.00 C ATOM 115 C GLY A 8 -10.064 -7.201 2.006 1.00 0.00 C ATOM 116 O GLY A 8 -10.546 -7.004 3.123 1.00 0.00 O ATOM 0 H GLY A 8 -10.971 -9.593 2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.735 -8.838 0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.176 -7.904 0.320 1.00 0.00 H new ATOM 120 N LEU A 9 -9.085 -6.457 1.501 1.00 0.00 N ATOM 121 CA LEU A 9 -8.506 -5.346 2.238 1.00 0.00 C ATOM 122 C LEU A 9 -8.155 -4.223 1.285 1.00 0.00 C ATOM 123 O LEU A 9 -7.663 -4.465 0.184 1.00 0.00 O ATOM 124 CB LEU A 9 -7.265 -5.798 3.007 1.00 0.00 C ATOM 125 CG LEU A 9 -7.523 -6.819 4.114 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.316 -7.726 4.298 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.867 -6.115 5.418 1.00 0.00 C ATOM 0 H LEU A 9 -8.676 -6.607 0.579 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.240 -4.984 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.554 -6.225 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.790 -4.921 3.447 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.373 -7.436 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.519 -8.446 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.115 -8.257 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.447 -7.125 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.048 -6.857 6.196 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.038 -5.473 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.763 -5.509 5.279 1.00 0.00 H new ATOM 139 N TYR A 10 -8.396 -2.993 1.710 1.00 0.00 N ATOM 140 CA TYR A 10 -8.092 -1.844 0.880 1.00 0.00 C ATOM 141 C TYR A 10 -6.802 -1.194 1.341 1.00 0.00 C ATOM 142 O TYR A 10 -6.757 -0.533 2.377 1.00 0.00 O ATOM 143 CB TYR A 10 -9.248 -0.848 0.913 1.00 0.00 C ATOM 144 CG TYR A 10 -10.591 -1.489 0.637 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.936 -1.889 -0.645 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.507 -1.698 1.656 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.158 -2.478 -0.908 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.733 -2.286 1.404 1.00 0.00 C ATOM 149 CZ TYR A 10 -13.054 -2.675 0.121 1.00 0.00 C ATOM 150 OH TYR A 10 -14.272 -3.261 -0.134 1.00 0.00 O ATOM 0 H TYR A 10 -8.799 -2.768 2.620 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.959 -2.175 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.276 -0.365 1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.067 -0.066 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.236 -1.737 -1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.259 -1.397 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.410 -2.782 -1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.436 -2.440 2.209 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.784 -3.328 0.699 1.00 0.00 H new ATOM 160 N LYS A 11 -5.752 -1.387 0.557 1.00 0.00 N ATOM 161 CA LYS A 11 -4.447 -0.816 0.876 1.00 0.00 C ATOM 162 C LYS A 11 -3.922 -0.005 -0.301 1.00 0.00 C ATOM 163 O LYS A 11 -4.273 -0.273 -1.450 1.00 0.00 O ATOM 164 CB LYS A 11 -3.454 -1.924 1.232 1.00 0.00 C ATOM 165 CG LYS A 11 -4.030 -2.984 2.157 1.00 0.00 C ATOM 166 CD LYS A 11 -3.087 -4.166 2.305 1.00 0.00 C ATOM 167 CE LYS A 11 -3.312 -4.900 3.616 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.058 -5.512 4.135 1.00 0.00 N ATOM 0 H LYS A 11 -5.775 -1.933 -0.304 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.560 -0.156 1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.112 -2.402 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.579 -1.478 1.705 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.224 -2.547 3.137 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.988 -3.328 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.232 -4.854 1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.055 -3.818 2.255 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.710 -4.206 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.062 -5.677 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.268 -6.059 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.655 -6.142 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.374 -4.762 4.361 1.00 0.00 H new ATOM 182 N VAL A 12 -3.077 0.987 -0.023 1.00 0.00 N ATOM 183 CA VAL A 12 -2.522 1.812 -1.090 1.00 0.00 C ATOM 184 C VAL A 12 -1.056 1.452 -1.325 1.00 0.00 C ATOM 185 O VAL A 12 -0.313 1.220 -0.380 1.00 0.00 O ATOM 186 CB VAL A 12 -2.650 3.330 -0.796 1.00 0.00 C ATOM 187 CG1 VAL A 12 -3.018 4.088 -2.055 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.681 3.625 0.284 1.00 0.00 C ATOM 0 H VAL A 12 -2.767 1.235 0.917 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.103 1.605 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.676 3.660 -0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.103 5.151 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.245 3.939 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.971 3.721 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.733 4.701 0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.657 3.260 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.392 3.126 1.209 1.00 0.00 H new ATOM 198 N GLN A 13 -0.651 1.383 -2.590 1.00 0.00 N ATOM 199 CA GLN A 13 0.726 1.029 -2.932 1.00 0.00 C ATOM 200 C GLN A 13 1.304 1.998 -3.956 1.00 0.00 C ATOM 201 O GLN A 13 0.653 2.327 -4.948 1.00 0.00 O ATOM 202 CB GLN A 13 0.787 -0.400 -3.477 1.00 0.00 C ATOM 203 CG GLN A 13 2.199 -0.881 -3.767 1.00 0.00 C ATOM 204 CD GLN A 13 2.272 -2.378 -3.984 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.581 -2.844 -5.081 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.982 -3.144 -2.937 1.00 0.00 N ATOM 0 H GLN A 13 -1.253 1.566 -3.393 1.00 0.00 H new ATOM 0 HA GLN A 13 1.324 1.093 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.323 -1.074 -2.757 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.198 -0.456 -4.392 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.578 -0.371 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.850 -0.606 -2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.731 -2.716 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.011 -4.160 -3.025 1.00 0.00 H new ATOM 215 N ILE A 14 2.524 2.466 -3.705 1.00 0.00 N ATOM 216 CA ILE A 14 3.168 3.412 -4.610 1.00 0.00 C ATOM 217 C ILE A 14 4.303 2.785 -5.420 1.00 0.00 C ATOM 218 O ILE A 14 4.860 3.441 -6.301 1.00 0.00 O ATOM 219 CB ILE A 14 3.709 4.646 -3.863 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.776 4.229 -2.843 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.571 5.410 -3.201 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.320 4.271 -1.401 1.00 0.00 C ATOM 0 H ILE A 14 3.081 2.208 -2.891 1.00 0.00 H new ATOM 0 HA ILE A 14 2.384 3.721 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 14 4.181 5.314 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.107 3.217 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.642 4.881 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.972 6.278 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.863 5.739 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.062 4.760 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.138 3.961 -0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.018 5.286 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.475 3.596 -1.267 1.00 0.00 H new ATOM 234 N GLY A 15 4.645 1.522 -5.155 1.00 0.00 N ATOM 235 CA GLY A 15 5.708 0.898 -5.929 1.00 0.00 C ATOM 236 C GLY A 15 6.305 -0.352 -5.309 1.00 0.00 C ATOM 237 O GLY A 15 6.047 -0.678 -4.150 1.00 0.00 O ATOM 0 H GLY A 15 4.218 0.935 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.318 0.646 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.504 1.627 -6.078 1.00 0.00 H new ATOM 241 N ALA A 16 7.142 -1.025 -6.100 1.00 0.00 N ATOM 242 CA ALA A 16 7.847 -2.231 -5.675 1.00 0.00 C ATOM 243 C ALA A 16 9.168 -2.330 -6.436 1.00 0.00 C ATOM 244 O ALA A 16 9.240 -1.945 -7.603 1.00 0.00 O ATOM 245 CB ALA A 16 6.995 -3.475 -5.904 1.00 0.00 C ATOM 0 H ALA A 16 7.350 -0.745 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 16 8.048 -2.169 -4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.545 -4.358 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.070 -3.393 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.760 -3.565 -6.965 1.00 0.00 H new ATOM 251 N PHE A 17 10.220 -2.830 -5.790 1.00 0.00 N ATOM 252 CA PHE A 17 11.519 -2.940 -6.453 1.00 0.00 C ATOM 253 C PHE A 17 12.354 -4.069 -5.863 1.00 0.00 C ATOM 254 O PHE A 17 12.228 -4.400 -4.687 1.00 0.00 O ATOM 255 CB PHE A 17 12.291 -1.622 -6.339 1.00 0.00 C ATOM 256 CG PHE A 17 11.427 -0.400 -6.478 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.732 0.100 -5.390 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.310 0.246 -7.699 1.00 0.00 C ATOM 259 CE1 PHE A 17 9.938 1.221 -5.514 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.517 1.370 -7.829 1.00 0.00 C ATOM 261 CZ PHE A 17 9.829 1.858 -6.736 1.00 0.00 C ATOM 0 H PHE A 17 10.201 -3.160 -4.825 1.00 0.00 H new ATOM 0 HA PHE A 17 11.331 -3.163 -7.503 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.797 -1.590 -5.374 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.065 -1.598 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.813 -0.394 -4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.844 -0.133 -8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.402 1.601 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.435 1.866 -8.785 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.207 2.735 -6.835 1.00 0.00 H new ATOM 271 N LYS A 18 13.217 -4.646 -6.691 1.00 0.00 N ATOM 272 CA LYS A 18 14.087 -5.734 -6.259 1.00 0.00 C ATOM 273 C LYS A 18 14.992 -5.306 -5.106 1.00 0.00 C ATOM 274 O LYS A 18 15.589 -6.147 -4.433 1.00 0.00 O ATOM 275 CB LYS A 18 14.938 -6.227 -7.433 1.00 0.00 C ATOM 276 CG LYS A 18 15.751 -5.129 -8.097 1.00 0.00 C ATOM 277 CD LYS A 18 15.932 -5.393 -9.582 1.00 0.00 C ATOM 278 CE LYS A 18 15.891 -4.105 -10.386 1.00 0.00 C ATOM 279 NZ LYS A 18 16.768 -4.170 -11.588 1.00 0.00 N ATOM 0 H LYS A 18 13.333 -4.378 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 18 13.451 -6.545 -5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.614 -7.005 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.286 -6.685 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.254 -4.170 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.727 -5.056 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.884 -5.897 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.149 -6.066 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.866 -3.903 -10.696 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.203 -3.273 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.711 -3.271 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.751 -4.337 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.455 -4.947 -12.204 1.00 0.00 H new ATOM 293 N VAL A 19 15.100 -3.998 -4.881 1.00 0.00 N ATOM 294 CA VAL A 19 15.942 -3.482 -3.808 1.00 0.00 C ATOM 295 C VAL A 19 15.113 -2.963 -2.637 1.00 0.00 C ATOM 296 O VAL A 19 14.204 -2.153 -2.815 1.00 0.00 O ATOM 297 CB VAL A 19 16.855 -2.348 -4.312 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.866 -1.960 -3.244 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.557 -2.758 -5.597 1.00 0.00 C ATOM 0 H VAL A 19 14.618 -3.282 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 19 16.553 -4.318 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 19 16.236 -1.477 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.502 -1.158 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.340 -1.620 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.482 -2.824 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.197 -1.944 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.164 -3.645 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.814 -2.980 -6.363 1.00 0.00 H new ATOM 309 N LYS A 20 15.443 -3.436 -1.440 1.00 0.00 N ATOM 310 CA LYS A 20 14.751 -3.031 -0.228 1.00 0.00 C ATOM 311 C LYS A 20 15.104 -1.598 0.131 1.00 0.00 C ATOM 312 O LYS A 20 14.244 -0.828 0.555 1.00 0.00 O ATOM 313 CB LYS A 20 15.109 -3.965 0.929 1.00 0.00 C ATOM 314 CG LYS A 20 14.229 -3.779 2.155 1.00 0.00 C ATOM 315 CD LYS A 20 14.889 -2.874 3.183 1.00 0.00 C ATOM 316 CE LYS A 20 13.857 -2.114 4.004 1.00 0.00 C ATOM 317 NZ LYS A 20 14.218 -2.076 5.448 1.00 0.00 N ATOM 0 H LYS A 20 16.195 -4.108 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 20 13.678 -3.093 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.031 -4.998 0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.149 -3.800 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.271 -3.353 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.020 -4.750 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.515 -3.471 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 20 15.546 -2.166 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.769 -1.096 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.881 -2.584 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.953 -1.153 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.710 -2.830 5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.243 -2.218 5.553 1.00 0.00 H new ATOM 331 N ALA A 21 16.372 -1.229 -0.057 1.00 0.00 N ATOM 332 CA ALA A 21 16.813 0.130 0.235 1.00 0.00 C ATOM 333 C ALA A 21 15.960 1.121 -0.542 1.00 0.00 C ATOM 334 O ALA A 21 15.672 2.222 -0.069 1.00 0.00 O ATOM 335 CB ALA A 21 18.284 0.298 -0.113 1.00 0.00 C ATOM 0 H ALA A 21 17.103 -1.848 -0.407 1.00 0.00 H new ATOM 0 HA ALA A 21 16.695 0.323 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.597 1.318 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.879 -0.401 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.432 0.098 -1.174 1.00 0.00 H new ATOM 341 N ASN A 22 15.531 0.700 -1.727 1.00 0.00 N ATOM 342 CA ASN A 22 14.679 1.523 -2.564 1.00 0.00 C ATOM 343 C ASN A 22 13.264 1.498 -2.013 1.00 0.00 C ATOM 344 O ASN A 22 12.533 2.487 -2.091 1.00 0.00 O ATOM 345 CB ASN A 22 14.694 1.019 -4.009 1.00 0.00 C ATOM 346 CG ASN A 22 16.022 1.275 -4.696 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.009 1.631 -4.052 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.052 1.091 -6.010 1.00 0.00 N ATOM 0 H ASN A 22 15.763 -0.210 -2.126 1.00 0.00 H new ATOM 0 HA ASN A 22 15.054 2.546 -2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.482 -0.050 -4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.897 1.508 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.918 1.245 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.209 0.795 -6.503 1.00 0.00 H new ATOM 355 N ALA A 23 12.887 0.360 -1.431 1.00 0.00 N ATOM 356 CA ALA A 23 11.561 0.213 -0.844 1.00 0.00 C ATOM 357 C ALA A 23 11.448 1.024 0.447 1.00 0.00 C ATOM 358 O ALA A 23 10.353 1.398 0.865 1.00 0.00 O ATOM 359 CB ALA A 23 11.255 -1.253 -0.582 1.00 0.00 C ATOM 0 H ALA A 23 13.479 -0.467 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 23 10.828 0.598 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.261 -1.345 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.290 -1.805 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.994 -1.662 0.107 1.00 0.00 H new ATOM 365 N ASP A 24 12.593 1.295 1.071 1.00 0.00 N ATOM 366 CA ASP A 24 12.629 2.066 2.310 1.00 0.00 C ATOM 367 C ASP A 24 12.536 3.558 2.019 1.00 0.00 C ATOM 368 O ASP A 24 11.886 4.303 2.752 1.00 0.00 O ATOM 369 CB ASP A 24 13.913 1.760 3.086 1.00 0.00 C ATOM 370 CG ASP A 24 13.667 1.627 4.577 1.00 0.00 C ATOM 371 OD1 ASP A 24 13.004 0.650 4.983 1.00 0.00 O ATOM 372 OD2 ASP A 24 14.139 2.500 5.336 1.00 0.00 O ATOM 0 H ASP A 24 13.508 0.991 0.738 1.00 0.00 H new ATOM 0 HA ASP A 24 11.771 1.779 2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.352 0.836 2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.639 2.553 2.909 1.00 0.00 H new ATOM 377 N SER A 25 13.176 3.987 0.936 1.00 0.00 N ATOM 378 CA SER A 25 13.148 5.391 0.544 1.00 0.00 C ATOM 379 C SER A 25 11.729 5.793 0.157 1.00 0.00 C ATOM 380 O SER A 25 11.269 6.890 0.470 1.00 0.00 O ATOM 381 CB SER A 25 14.103 5.642 -0.624 1.00 0.00 C ATOM 382 OG SER A 25 14.072 6.999 -1.027 1.00 0.00 O ATOM 0 H SER A 25 13.718 3.385 0.316 1.00 0.00 H new ATOM 0 HA SER A 25 13.473 5.996 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.117 5.369 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.830 5.004 -1.464 1.00 0.00 H new ATOM 0 HG SER A 25 14.692 7.133 -1.774 1.00 0.00 H new ATOM 388 N LEU A 26 11.043 4.880 -0.520 1.00 0.00 N ATOM 389 CA LEU A 26 9.670 5.104 -0.953 1.00 0.00 C ATOM 390 C LEU A 26 8.741 5.185 0.257 1.00 0.00 C ATOM 391 O LEU A 26 7.906 6.081 0.358 1.00 0.00 O ATOM 392 CB LEU A 26 9.238 3.969 -1.888 1.00 0.00 C ATOM 393 CG LEU A 26 7.945 4.203 -2.676 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.961 5.551 -3.379 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.740 3.082 -3.685 1.00 0.00 C ATOM 0 H LEU A 26 11.420 3.969 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 26 9.611 6.050 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.044 3.783 -2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.120 3.062 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 26 7.114 4.206 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.030 5.686 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.064 6.346 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.801 5.590 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.819 3.257 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.582 3.057 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.673 2.129 -3.161 1.00 0.00 H new ATOM 407 N ALA A 27 8.903 4.252 1.189 1.00 0.00 N ATOM 408 CA ALA A 27 8.088 4.241 2.396 1.00 0.00 C ATOM 409 C ALA A 27 8.300 5.523 3.197 1.00 0.00 C ATOM 410 O ALA A 27 7.423 5.957 3.946 1.00 0.00 O ATOM 411 CB ALA A 27 8.418 3.022 3.244 1.00 0.00 C ATOM 0 H ALA A 27 9.588 3.498 1.132 1.00 0.00 H new ATOM 0 HA ALA A 27 7.039 4.188 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.802 3.026 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.219 2.116 2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.471 3.049 3.526 1.00 0.00 H new ATOM 417 N SER A 28 9.474 6.125 3.027 1.00 0.00 N ATOM 418 CA SER A 28 9.815 7.358 3.726 1.00 0.00 C ATOM 419 C SER A 28 9.081 8.552 3.121 1.00 0.00 C ATOM 420 O SER A 28 8.600 9.426 3.845 1.00 0.00 O ATOM 421 CB SER A 28 11.328 7.591 3.677 1.00 0.00 C ATOM 422 OG SER A 28 11.875 7.661 4.982 1.00 0.00 O ATOM 0 H SER A 28 10.207 5.777 2.409 1.00 0.00 H new ATOM 0 HA SER A 28 9.502 7.257 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.806 6.784 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.540 8.516 3.140 1.00 0.00 H new ATOM 0 HG SER A 28 12.842 7.808 4.924 1.00 0.00 H new ATOM 428 N ASN A 29 8.996 8.587 1.794 1.00 0.00 N ATOM 429 CA ASN A 29 8.317 9.681 1.108 1.00 0.00 C ATOM 430 C ASN A 29 6.862 9.765 1.542 1.00 0.00 C ATOM 431 O ASN A 29 6.370 10.839 1.893 1.00 0.00 O ATOM 432 CB ASN A 29 8.430 9.515 -0.414 1.00 0.00 C ATOM 433 CG ASN A 29 7.474 8.492 -1.004 1.00 0.00 C ATOM 434 OD1 ASN A 29 7.894 7.426 -1.444 1.00 0.00 O ATOM 435 ND2 ASN A 29 6.187 8.817 -1.038 1.00 0.00 N ATOM 0 H ASN A 29 9.386 7.875 1.176 1.00 0.00 H new ATOM 0 HA ASN A 29 8.804 10.617 1.383 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.249 10.480 -0.887 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.451 9.226 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.508 8.171 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.877 9.713 -0.662 1.00 0.00 H new ATOM 442 N ALA A 30 6.184 8.627 1.532 1.00 0.00 N ATOM 443 CA ALA A 30 4.789 8.575 1.939 1.00 0.00 C ATOM 444 C ALA A 30 4.649 8.988 3.399 1.00 0.00 C ATOM 445 O ALA A 30 3.699 9.672 3.774 1.00 0.00 O ATOM 446 CB ALA A 30 4.221 7.184 1.724 1.00 0.00 C ATOM 0 H ALA A 30 6.576 7.730 1.247 1.00 0.00 H new ATOM 0 HA ALA A 30 4.223 9.274 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.176 7.166 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.290 6.922 0.668 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.788 6.464 2.315 1.00 0.00 H new ATOM 452 N GLU A 31 5.612 8.569 4.214 1.00 0.00 N ATOM 453 CA GLU A 31 5.605 8.900 5.638 1.00 0.00 C ATOM 454 C GLU A 31 5.513 10.411 5.828 1.00 0.00 C ATOM 455 O GLU A 31 4.848 10.895 6.744 1.00 0.00 O ATOM 456 CB GLU A 31 6.866 8.361 6.316 1.00 0.00 C ATOM 457 CG GLU A 31 6.818 8.442 7.834 1.00 0.00 C ATOM 458 CD GLU A 31 8.199 8.462 8.458 1.00 0.00 C ATOM 459 OE1 GLU A 31 9.062 9.218 7.965 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.418 7.722 9.442 1.00 0.00 O ATOM 0 H GLU A 31 6.405 8.001 3.916 1.00 0.00 H new ATOM 0 HA GLU A 31 4.734 8.434 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.013 7.322 6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.730 8.920 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.276 9.340 8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.260 7.590 8.223 1.00 0.00 H new ATOM 467 N ALA A 32 6.181 11.146 4.945 1.00 0.00 N ATOM 468 CA ALA A 32 6.176 12.604 4.991 1.00 0.00 C ATOM 469 C ALA A 32 4.751 13.129 5.001 1.00 0.00 C ATOM 470 O ALA A 32 4.385 13.945 5.847 1.00 0.00 O ATOM 471 CB ALA A 32 6.949 13.174 3.811 1.00 0.00 C ATOM 0 H ALA A 32 6.736 10.753 4.185 1.00 0.00 H new ATOM 0 HA ALA A 32 6.666 12.925 5.910 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.936 14.263 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.980 12.821 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.486 12.847 2.880 1.00 0.00 H new ATOM 477 N LYS A 33 3.939 12.636 4.070 1.00 0.00 N ATOM 478 CA LYS A 33 2.543 13.043 4.001 1.00 0.00 C ATOM 479 C LYS A 33 1.839 12.629 5.284 1.00 0.00 C ATOM 480 O LYS A 33 0.880 13.264 5.720 1.00 0.00 O ATOM 481 CB LYS A 33 1.854 12.399 2.801 1.00 0.00 C ATOM 482 CG LYS A 33 2.100 13.126 1.492 1.00 0.00 C ATOM 483 CD LYS A 33 1.476 14.512 1.496 1.00 0.00 C ATOM 484 CE LYS A 33 2.517 15.595 1.736 1.00 0.00 C ATOM 485 NZ LYS A 33 2.831 16.350 0.491 1.00 0.00 N ATOM 0 H LYS A 33 4.222 11.961 3.360 1.00 0.00 H new ATOM 0 HA LYS A 33 2.493 14.126 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.199 11.370 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.781 12.359 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.173 13.210 1.318 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.688 12.543 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.978 14.690 0.543 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.710 14.565 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.154 16.285 2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.429 15.142 2.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.544 17.078 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.202 15.696 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.966 16.804 0.133 1.00 0.00 H new ATOM 499 N GLY A 34 2.348 11.559 5.890 1.00 0.00 N ATOM 500 CA GLY A 34 1.793 11.062 7.126 1.00 0.00 C ATOM 501 C GLY A 34 1.026 9.772 6.937 1.00 0.00 C ATOM 502 O GLY A 34 0.044 9.516 7.633 1.00 0.00 O ATOM 0 H GLY A 34 3.143 11.026 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.598 10.901 7.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.131 11.816 7.553 1.00 0.00 H new ATOM 506 N PHE A 35 1.485 8.953 5.999 1.00 0.00 N ATOM 507 CA PHE A 35 0.846 7.678 5.727 1.00 0.00 C ATOM 508 C PHE A 35 1.615 6.539 6.379 1.00 0.00 C ATOM 509 O PHE A 35 2.813 6.651 6.638 1.00 0.00 O ATOM 510 CB PHE A 35 0.753 7.456 4.222 1.00 0.00 C ATOM 511 CG PHE A 35 0.200 8.634 3.476 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.745 9.465 4.059 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.632 8.913 2.195 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.250 10.552 3.373 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.132 10.000 1.502 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.809 10.819 2.091 1.00 0.00 C ATOM 0 H PHE A 35 2.298 9.152 5.415 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.159 7.696 6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.745 7.224 3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.125 6.586 4.029 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.090 9.260 5.062 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.369 8.275 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.987 11.191 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.478 10.208 0.500 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.201 11.668 1.551 1.00 0.00 H new ATOM 526 N ASP A 36 0.922 5.437 6.629 1.00 0.00 N ATOM 527 CA ASP A 36 1.543 4.271 7.236 1.00 0.00 C ATOM 528 C ASP A 36 2.221 3.430 6.164 1.00 0.00 C ATOM 529 O ASP A 36 1.577 2.609 5.511 1.00 0.00 O ATOM 530 CB ASP A 36 0.500 3.439 7.985 1.00 0.00 C ATOM 531 CG ASP A 36 0.670 3.518 9.490 1.00 0.00 C ATOM 532 OD1 ASP A 36 1.826 3.600 9.954 1.00 0.00 O ATOM 533 OD2 ASP A 36 -0.354 3.495 10.204 1.00 0.00 O ATOM 0 H ASP A 36 -0.070 5.327 6.420 1.00 0.00 H new ATOM 0 HA ASP A 36 2.294 4.604 7.952 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.498 3.785 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.573 2.399 7.668 1.00 0.00 H new ATOM 538 N SER A 37 3.517 3.655 5.964 1.00 0.00 N ATOM 539 CA SER A 37 4.260 2.927 4.946 1.00 0.00 C ATOM 540 C SER A 37 4.656 1.545 5.440 1.00 0.00 C ATOM 541 O SER A 37 4.741 1.298 6.642 1.00 0.00 O ATOM 542 CB SER A 37 5.506 3.712 4.538 1.00 0.00 C ATOM 543 OG SER A 37 6.418 3.821 5.619 1.00 0.00 O ATOM 0 H SER A 37 4.069 4.332 6.491 1.00 0.00 H new ATOM 0 HA SER A 37 3.612 2.807 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.992 3.217 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.218 4.707 4.200 1.00 0.00 H new ATOM 0 HG SER A 37 7.099 4.493 5.406 1.00 0.00 H new ATOM 549 N ILE A 38 4.866 0.641 4.494 1.00 0.00 N ATOM 550 CA ILE A 38 5.222 -0.733 4.808 1.00 0.00 C ATOM 551 C ILE A 38 5.991 -1.369 3.653 1.00 0.00 C ATOM 552 O ILE A 38 5.640 -1.188 2.489 1.00 0.00 O ATOM 553 CB ILE A 38 3.947 -1.556 5.103 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.222 -3.061 5.013 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.839 -1.151 4.137 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.452 -3.878 6.030 1.00 0.00 C ATOM 0 H ILE A 38 4.795 0.838 3.496 1.00 0.00 H new ATOM 0 HA ILE A 38 5.861 -0.729 5.691 1.00 0.00 H new ATOM 0 HB ILE A 38 3.627 -1.343 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.968 -3.409 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.289 -3.236 5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.942 -1.733 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.620 -0.090 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.162 -1.340 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.695 -4.933 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.723 -3.557 7.036 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.382 -3.733 5.879 1.00 0.00 H new ATOM 568 N VAL A 39 7.041 -2.114 3.984 1.00 0.00 N ATOM 569 CA VAL A 39 7.856 -2.769 2.971 1.00 0.00 C ATOM 570 C VAL A 39 7.811 -4.287 3.117 1.00 0.00 C ATOM 571 O VAL A 39 8.269 -4.834 4.121 1.00 0.00 O ATOM 572 CB VAL A 39 9.323 -2.301 3.044 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.118 -2.848 1.869 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.396 -0.782 3.088 1.00 0.00 C ATOM 0 H VAL A 39 7.346 -2.278 4.944 1.00 0.00 H new ATOM 0 HA VAL A 39 7.438 -2.491 2.004 1.00 0.00 H new ATOM 0 HB VAL A 39 9.765 -2.690 3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.151 -2.507 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.094 -3.938 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.680 -2.492 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.439 -0.469 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.937 -0.370 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.864 -0.417 3.967 1.00 0.00 H new ATOM 584 N LEU A 40 7.262 -4.971 2.112 1.00 0.00 N ATOM 585 CA LEU A 40 7.170 -6.425 2.144 1.00 0.00 C ATOM 586 C LEU A 40 7.927 -7.040 0.972 1.00 0.00 C ATOM 587 O LEU A 40 7.817 -6.578 -0.163 1.00 0.00 O ATOM 588 CB LEU A 40 5.700 -6.875 2.124 1.00 0.00 C ATOM 589 CG LEU A 40 5.292 -7.766 0.941 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.937 -9.143 1.054 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.780 -7.887 0.863 1.00 0.00 C ATOM 0 H LEU A 40 6.877 -4.541 1.271 1.00 0.00 H new ATOM 0 HA LEU A 40 7.627 -6.773 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.491 -7.413 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.067 -5.987 2.122 1.00 0.00 H new ATOM 0 HG LEU A 40 5.648 -7.299 0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.634 -9.757 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.022 -9.037 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.616 -9.620 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.509 -8.522 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.402 -8.328 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.342 -6.898 0.728 1.00 0.00 H new ATOM 603 N LEU A 41 8.702 -8.077 1.258 1.00 0.00 N ATOM 604 CA LEU A 41 9.486 -8.749 0.233 1.00 0.00 C ATOM 605 C LEU A 41 8.756 -9.964 -0.340 1.00 0.00 C ATOM 606 O LEU A 41 8.502 -10.940 0.365 1.00 0.00 O ATOM 607 CB LEU A 41 10.837 -9.187 0.802 1.00 0.00 C ATOM 608 CG LEU A 41 11.674 -10.074 -0.125 1.00 0.00 C ATOM 609 CD1 LEU A 41 11.748 -9.466 -1.513 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.069 -10.285 0.450 1.00 0.00 C ATOM 0 H LEU A 41 8.804 -8.471 2.193 1.00 0.00 H new ATOM 0 HA LEU A 41 9.640 -8.035 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.416 -8.297 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.664 -9.724 1.735 1.00 0.00 H new ATOM 0 HG LEU A 41 11.190 -11.048 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.346 -10.108 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.743 -9.373 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 41 12.209 -8.480 -1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.648 -10.918 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.567 -9.322 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.992 -10.767 1.425 1.00 0.00 H new ATOM 622 N LYS A 42 8.477 -9.908 -1.636 1.00 0.00 N ATOM 623 CA LYS A 42 7.835 -11.014 -2.336 1.00 0.00 C ATOM 624 C LYS A 42 8.861 -11.640 -3.270 1.00 0.00 C ATOM 625 O LYS A 42 9.789 -10.954 -3.691 1.00 0.00 O ATOM 626 CB LYS A 42 6.610 -10.541 -3.123 1.00 0.00 C ATOM 627 CG LYS A 42 6.964 -9.845 -4.421 1.00 0.00 C ATOM 628 CD LYS A 42 7.211 -10.839 -5.546 1.00 0.00 C ATOM 629 CE LYS A 42 8.525 -10.570 -6.239 1.00 0.00 C ATOM 630 NZ LYS A 42 8.456 -10.866 -7.697 1.00 0.00 N ATOM 0 H LYS A 42 8.687 -9.103 -2.227 1.00 0.00 H new ATOM 0 HA LYS A 42 7.483 -11.748 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.973 -11.398 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.028 -9.861 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.156 -9.170 -4.703 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.854 -9.233 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.210 -11.853 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.398 -10.782 -6.269 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.805 -9.527 -6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.307 -11.177 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.403 -11.116 -8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.806 -11.661 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.111 -10.027 -8.206 1.00 0.00 H new ATOM 644 N ASP A 43 8.708 -12.929 -3.576 1.00 0.00 N ATOM 645 CA ASP A 43 9.654 -13.637 -4.449 1.00 0.00 C ATOM 646 C ASP A 43 11.066 -13.046 -4.317 1.00 0.00 C ATOM 647 O ASP A 43 11.866 -13.507 -3.506 1.00 0.00 O ATOM 648 CB ASP A 43 9.186 -13.614 -5.909 1.00 0.00 C ATOM 649 CG ASP A 43 8.851 -14.999 -6.429 1.00 0.00 C ATOM 650 OD1 ASP A 43 9.433 -15.980 -5.922 1.00 0.00 O ATOM 651 OD2 ASP A 43 8.004 -15.101 -7.342 1.00 0.00 O ATOM 0 H ASP A 43 7.940 -13.506 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 43 9.690 -14.678 -4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.308 -12.974 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.965 -13.174 -6.531 1.00 0.00 H new ATOM 656 N GLY A 44 11.352 -12.006 -5.105 1.00 0.00 N ATOM 657 CA GLY A 44 12.644 -11.352 -5.045 1.00 0.00 C ATOM 658 C GLY A 44 12.525 -9.832 -5.096 1.00 0.00 C ATOM 659 O GLY A 44 13.529 -9.134 -5.238 1.00 0.00 O ATOM 0 H GLY A 44 10.705 -11.607 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.154 -11.644 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.261 -11.694 -5.876 1.00 0.00 H new ATOM 663 N LEU A 45 11.295 -9.313 -4.979 1.00 0.00 N ATOM 664 CA LEU A 45 11.065 -7.866 -5.014 1.00 0.00 C ATOM 665 C LEU A 45 10.479 -7.359 -3.700 1.00 0.00 C ATOM 666 O LEU A 45 9.911 -8.122 -2.924 1.00 0.00 O ATOM 667 CB LEU A 45 10.115 -7.483 -6.154 1.00 0.00 C ATOM 668 CG LEU A 45 10.345 -8.205 -7.480 1.00 0.00 C ATOM 669 CD1 LEU A 45 9.473 -7.605 -8.572 1.00 0.00 C ATOM 670 CD2 LEU A 45 11.812 -8.130 -7.870 1.00 0.00 C ATOM 0 H LEU A 45 10.450 -9.872 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 45 12.037 -7.401 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.092 -7.675 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.198 -6.410 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 45 10.069 -9.253 -7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.650 -8.132 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.424 -7.702 -8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.719 -6.551 -8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.964 -8.648 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.107 -7.086 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.419 -8.602 -7.097 1.00 0.00 H new ATOM 682 N TYR A 46 10.607 -6.057 -3.477 1.00 0.00 N ATOM 683 CA TYR A 46 10.077 -5.422 -2.277 1.00 0.00 C ATOM 684 C TYR A 46 8.975 -4.439 -2.649 1.00 0.00 C ATOM 685 O TYR A 46 9.108 -3.681 -3.608 1.00 0.00 O ATOM 686 CB TYR A 46 11.189 -4.694 -1.519 1.00 0.00 C ATOM 687 CG TYR A 46 12.183 -5.619 -0.853 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.049 -6.396 -1.607 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.253 -5.712 0.532 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.959 -7.242 -1.002 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.160 -6.556 1.145 1.00 0.00 C ATOM 692 CZ TYR A 46 14.009 -7.319 0.373 1.00 0.00 C ATOM 693 OH TYR A 46 14.914 -8.160 0.979 1.00 0.00 O ATOM 0 H TYR A 46 11.077 -5.416 -4.117 1.00 0.00 H new ATOM 0 HA TYR A 46 9.663 -6.196 -1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.721 -4.043 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.739 -4.053 -0.761 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.012 -6.339 -2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.588 -5.115 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.628 -7.840 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.203 -6.617 2.222 1.00 0.00 H new ATOM 0 HH TYR A 46 14.820 -8.095 1.952 1.00 0.00 H new ATOM 703 N LYS A 47 7.887 -4.457 -1.890 1.00 0.00 N ATOM 704 CA LYS A 47 6.762 -3.566 -2.147 1.00 0.00 C ATOM 705 C LYS A 47 6.672 -2.476 -1.104 1.00 0.00 C ATOM 706 O LYS A 47 7.039 -2.670 0.052 1.00 0.00 O ATOM 707 CB LYS A 47 5.452 -4.349 -2.175 1.00 0.00 C ATOM 708 CG LYS A 47 5.069 -4.811 -3.562 1.00 0.00 C ATOM 709 CD LYS A 47 5.814 -6.075 -3.937 1.00 0.00 C ATOM 710 CE LYS A 47 4.995 -7.310 -3.623 1.00 0.00 C ATOM 711 NZ LYS A 47 4.273 -7.820 -4.822 1.00 0.00 N ATOM 0 H LYS A 47 7.759 -5.079 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 47 6.930 -3.104 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.540 -5.216 -1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.654 -3.725 -1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.995 -4.991 -3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.290 -4.026 -4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.055 -6.056 -5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.760 -6.116 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.650 -8.090 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.275 -7.078 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.130 -8.846 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.350 -7.347 -4.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.834 -7.623 -5.675 1.00 0.00 H new ATOM 725 N VAL A 48 6.164 -1.331 -1.527 1.00 0.00 N ATOM 726 CA VAL A 48 6.001 -0.196 -0.646 1.00 0.00 C ATOM 727 C VAL A 48 4.544 0.247 -0.613 1.00 0.00 C ATOM 728 O VAL A 48 4.070 0.938 -1.513 1.00 0.00 O ATOM 729 CB VAL A 48 6.896 0.970 -1.088 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.801 2.124 -0.100 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.336 0.499 -1.232 1.00 0.00 C ATOM 0 H VAL A 48 5.856 -1.166 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 48 6.300 -0.500 0.357 1.00 0.00 H new ATOM 0 HB VAL A 48 6.550 1.328 -2.058 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.443 2.940 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.770 2.472 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.123 1.787 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.962 1.334 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.692 0.118 -0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.387 -0.293 -1.979 1.00 0.00 H new ATOM 741 N GLN A 49 3.837 -0.175 0.430 1.00 0.00 N ATOM 742 CA GLN A 49 2.429 0.156 0.588 1.00 0.00 C ATOM 743 C GLN A 49 2.237 1.233 1.651 1.00 0.00 C ATOM 744 O GLN A 49 2.921 1.243 2.673 1.00 0.00 O ATOM 745 CB GLN A 49 1.639 -1.107 0.956 1.00 0.00 C ATOM 746 CG GLN A 49 0.184 -0.854 1.326 1.00 0.00 C ATOM 747 CD GLN A 49 -0.255 -1.656 2.535 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.895 -1.129 3.444 1.00 0.00 O ATOM 749 NE2 GLN A 49 0.092 -2.938 2.552 1.00 0.00 N ATOM 0 H GLN A 49 4.220 -0.750 1.181 1.00 0.00 H new ATOM 0 HA GLN A 49 2.056 0.549 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.672 -1.799 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.134 -1.599 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.043 0.208 1.528 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.452 -1.104 0.477 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.623 -3.333 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.173 -3.528 3.341 1.00 0.00 H new ATOM 758 N ILE A 50 1.296 2.134 1.400 1.00 0.00 N ATOM 759 CA ILE A 50 0.999 3.209 2.328 1.00 0.00 C ATOM 760 C ILE A 50 -0.505 3.373 2.527 1.00 0.00 C ATOM 761 O ILE A 50 -1.257 3.591 1.582 1.00 0.00 O ATOM 762 CB ILE A 50 1.638 4.530 1.872 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.329 4.821 0.398 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.140 4.454 2.097 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.282 5.890 0.201 1.00 0.00 C ATOM 0 H ILE A 50 0.724 2.138 0.555 1.00 0.00 H new ATOM 0 HA ILE A 50 1.435 2.939 3.290 1.00 0.00 H new ATOM 0 HB ILE A 50 1.217 5.347 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.247 5.126 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.993 3.902 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.604 5.387 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.342 4.294 3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.553 3.627 1.520 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.115 6.043 -0.865 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.649 5.578 0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.624 6.822 0.652 1.00 0.00 H new ATOM 777 N GLY A 51 -0.915 3.264 3.782 1.00 0.00 N ATOM 778 CA GLY A 51 -2.315 3.399 4.141 1.00 0.00 C ATOM 779 C GLY A 51 -3.115 2.138 3.878 1.00 0.00 C ATOM 780 O GLY A 51 -3.442 1.830 2.733 1.00 0.00 O ATOM 0 H GLY A 51 -0.294 3.082 4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.391 3.658 5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.751 4.224 3.578 1.00 0.00 H new ATOM 784 N ALA A 52 -3.440 1.413 4.945 1.00 0.00 N ATOM 785 CA ALA A 52 -4.217 0.184 4.831 1.00 0.00 C ATOM 786 C ALA A 52 -5.424 0.233 5.761 1.00 0.00 C ATOM 787 O ALA A 52 -5.282 0.467 6.960 1.00 0.00 O ATOM 788 CB ALA A 52 -3.349 -1.025 5.146 1.00 0.00 C ATOM 0 H ALA A 52 -3.176 1.657 5.900 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.574 0.092 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.944 -1.934 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.515 -1.067 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.965 -0.942 6.163 1.00 0.00 H new ATOM 794 N PHE A 53 -6.614 0.025 5.205 1.00 0.00 N ATOM 795 CA PHE A 53 -7.836 0.064 6.001 1.00 0.00 C ATOM 796 C PHE A 53 -8.855 -0.962 5.515 1.00 0.00 C ATOM 797 O PHE A 53 -8.660 -1.618 4.488 1.00 0.00 O ATOM 798 CB PHE A 53 -8.456 1.465 5.952 1.00 0.00 C ATOM 799 CG PHE A 53 -7.442 2.576 5.902 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.693 2.795 4.758 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.244 3.398 6.999 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.763 3.815 4.708 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.314 4.420 6.955 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.573 4.629 5.807 1.00 0.00 C ATOM 0 H PHE A 53 -6.758 -0.171 4.214 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.567 -0.182 7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.102 1.536 5.077 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.089 1.603 6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.838 2.161 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.822 3.239 7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.185 3.976 3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.167 5.054 7.817 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.847 5.428 5.770 1.00 0.00 H new ATOM 814 N SER A 54 -9.947 -1.088 6.263 1.00 0.00 N ATOM 815 CA SER A 54 -11.011 -2.022 5.922 1.00 0.00 C ATOM 816 C SER A 54 -11.968 -1.414 4.899 1.00 0.00 C ATOM 817 O SER A 54 -12.740 -2.129 4.262 1.00 0.00 O ATOM 818 CB SER A 54 -11.782 -2.431 7.178 1.00 0.00 C ATOM 819 OG SER A 54 -12.490 -1.330 7.722 1.00 0.00 O ATOM 0 H SER A 54 -10.117 -0.551 7.113 1.00 0.00 H new ATOM 0 HA SER A 54 -10.552 -2.907 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.480 -3.232 6.935 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.089 -2.826 7.922 1.00 0.00 H new ATOM 0 HG SER A 54 -12.976 -1.617 8.523 1.00 0.00 H new ATOM 825 N SER A 55 -11.913 -0.093 4.745 1.00 0.00 N ATOM 826 CA SER A 55 -12.777 0.605 3.797 1.00 0.00 C ATOM 827 C SER A 55 -11.965 1.194 2.644 1.00 0.00 C ATOM 828 O SER A 55 -10.967 1.878 2.860 1.00 0.00 O ATOM 829 CB SER A 55 -13.558 1.712 4.507 1.00 0.00 C ATOM 830 OG SER A 55 -14.862 1.278 4.850 1.00 0.00 O ATOM 0 H SER A 55 -11.280 0.515 5.264 1.00 0.00 H new ATOM 0 HA SER A 55 -13.480 -0.119 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.025 2.017 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.621 2.588 3.861 1.00 0.00 H new ATOM 0 HG SER A 55 -15.339 2.004 5.304 1.00 0.00 H new ATOM 836 N LYS A 56 -12.404 0.918 1.419 1.00 0.00 N ATOM 837 CA LYS A 56 -11.723 1.413 0.228 1.00 0.00 C ATOM 838 C LYS A 56 -11.614 2.934 0.246 1.00 0.00 C ATOM 839 O LYS A 56 -10.627 3.499 -0.228 1.00 0.00 O ATOM 840 CB LYS A 56 -12.461 0.960 -1.032 1.00 0.00 C ATOM 841 CG LYS A 56 -11.580 0.941 -2.270 1.00 0.00 C ATOM 842 CD LYS A 56 -11.827 2.158 -3.147 1.00 0.00 C ATOM 843 CE LYS A 56 -11.194 1.992 -4.520 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.722 0.796 -5.234 1.00 0.00 N ATOM 0 H LYS A 56 -13.231 0.353 1.226 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.715 0.998 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.867 -0.038 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.308 1.624 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.532 0.913 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.774 0.033 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.900 2.318 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.421 3.046 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.383 2.884 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.113 1.903 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.605 0.924 -6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.199 -0.050 -4.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.731 0.677 -5.013 1.00 0.00 H new ATOM 858 N ASP A 57 -12.631 3.594 0.791 1.00 0.00 N ATOM 859 CA ASP A 57 -12.644 5.052 0.866 1.00 0.00 C ATOM 860 C ASP A 57 -11.357 5.582 1.489 1.00 0.00 C ATOM 861 O ASP A 57 -10.891 6.669 1.148 1.00 0.00 O ATOM 862 CB ASP A 57 -13.851 5.532 1.674 1.00 0.00 C ATOM 863 CG ASP A 57 -14.403 6.848 1.162 1.00 0.00 C ATOM 864 OD1 ASP A 57 -14.229 7.138 -0.040 1.00 0.00 O ATOM 865 OD2 ASP A 57 -15.013 7.589 1.964 1.00 0.00 O ATOM 0 H ASP A 57 -13.456 3.144 1.187 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.717 5.439 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.634 4.774 1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.564 5.644 2.719 1.00 0.00 H new ATOM 870 N ASN A 58 -10.787 4.805 2.404 1.00 0.00 N ATOM 871 CA ASN A 58 -9.552 5.196 3.073 1.00 0.00 C ATOM 872 C ASN A 58 -8.369 5.108 2.115 1.00 0.00 C ATOM 873 O ASN A 58 -7.583 6.047 1.993 1.00 0.00 O ATOM 874 CB ASN A 58 -9.305 4.310 4.296 1.00 0.00 C ATOM 875 CG ASN A 58 -10.418 4.413 5.319 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.671 5.483 5.872 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.091 3.297 5.575 1.00 0.00 N ATOM 0 H ASN A 58 -11.160 3.902 2.699 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.655 6.230 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.205 3.273 3.976 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.361 4.593 4.761 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.852 3.305 6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.847 2.432 5.093 1.00 0.00 H new ATOM 884 N ALA A 59 -8.251 3.974 1.434 1.00 0.00 N ATOM 885 CA ALA A 59 -7.169 3.757 0.481 1.00 0.00 C ATOM 886 C ALA A 59 -7.214 4.786 -0.643 1.00 0.00 C ATOM 887 O ALA A 59 -6.184 5.324 -1.037 1.00 0.00 O ATOM 888 CB ALA A 59 -7.242 2.349 -0.084 1.00 0.00 C ATOM 0 H ALA A 59 -8.894 3.188 1.525 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.222 3.876 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.429 2.199 -0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.153 1.626 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.197 2.209 -0.591 1.00 0.00 H new ATOM 894 N ASP A 60 -8.409 5.057 -1.157 1.00 0.00 N ATOM 895 CA ASP A 60 -8.569 6.024 -2.237 1.00 0.00 C ATOM 896 C ASP A 60 -8.066 7.400 -1.815 1.00 0.00 C ATOM 897 O ASP A 60 -7.262 8.018 -2.513 1.00 0.00 O ATOM 898 CB ASP A 60 -10.039 6.113 -2.657 1.00 0.00 C ATOM 899 CG ASP A 60 -10.410 5.069 -3.692 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.602 4.140 -3.914 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.505 5.179 -4.281 1.00 0.00 O ATOM 0 H ASP A 60 -9.278 4.623 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.975 5.684 -3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.673 5.991 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.239 7.106 -3.059 1.00 0.00 H new ATOM 906 N THR A 61 -8.541 7.874 -0.667 1.00 0.00 N ATOM 907 CA THR A 61 -8.137 9.176 -0.151 1.00 0.00 C ATOM 908 C THR A 61 -6.624 9.243 0.031 1.00 0.00 C ATOM 909 O THR A 61 -6.003 10.275 -0.218 1.00 0.00 O ATOM 910 CB THR A 61 -8.836 9.462 1.178 1.00 0.00 C ATOM 911 OG1 THR A 61 -10.243 9.390 1.030 1.00 0.00 O ATOM 912 CG2 THR A 61 -8.504 10.825 1.749 1.00 0.00 C ATOM 0 H THR A 61 -9.206 7.375 -0.077 1.00 0.00 H new ATOM 0 HA THR A 61 -8.432 9.934 -0.877 1.00 0.00 H new ATOM 0 HB THR A 61 -8.471 8.699 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.528 8.453 1.062 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.033 10.963 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.430 10.895 1.922 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.810 11.599 1.045 1.00 0.00 H new ATOM 920 N LEU A 62 -6.038 8.128 0.458 1.00 0.00 N ATOM 921 CA LEU A 62 -4.597 8.042 0.668 1.00 0.00 C ATOM 922 C LEU A 62 -3.873 8.104 -0.649 1.00 0.00 C ATOM 923 O LEU A 62 -2.919 8.864 -0.829 1.00 0.00 O ATOM 924 CB LEU A 62 -4.241 6.703 1.301 1.00 0.00 C ATOM 925 CG LEU A 62 -3.018 6.722 2.212 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.863 7.429 1.531 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.352 7.391 3.538 1.00 0.00 C ATOM 0 H LEU A 62 -6.543 7.267 0.666 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.306 8.872 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.098 6.352 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.071 5.977 0.506 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.719 5.693 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.998 7.434 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.610 6.907 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.150 8.455 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.468 7.396 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.675 8.416 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.153 6.840 4.032 1.00 0.00 H new ATOM 939 N ALA A 63 -4.318 7.252 -1.555 1.00 0.00 N ATOM 940 CA ALA A 63 -3.708 7.148 -2.851 1.00 0.00 C ATOM 941 C ALA A 63 -3.646 8.507 -3.539 1.00 0.00 C ATOM 942 O ALA A 63 -2.567 9.001 -3.867 1.00 0.00 O ATOM 943 CB ALA A 63 -4.449 6.136 -3.713 1.00 0.00 C ATOM 0 H ALA A 63 -5.106 6.621 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.685 6.797 -2.716 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.971 6.072 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.422 5.159 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.485 6.452 -3.835 1.00 0.00 H new ATOM 949 N ALA A 64 -4.814 9.111 -3.746 1.00 0.00 N ATOM 950 CA ALA A 64 -4.898 10.418 -4.386 1.00 0.00 C ATOM 951 C ALA A 64 -3.989 11.416 -3.682 1.00 0.00 C ATOM 952 O ALA A 64 -3.364 12.264 -4.319 1.00 0.00 O ATOM 953 CB ALA A 64 -6.336 10.916 -4.385 1.00 0.00 C ATOM 0 H ALA A 64 -5.715 8.714 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.566 10.319 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.383 11.893 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.965 10.212 -4.930 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.691 11.000 -3.358 1.00 0.00 H new ATOM 959 N ARG A 65 -3.903 11.293 -2.361 1.00 0.00 N ATOM 960 CA ARG A 65 -3.055 12.166 -1.566 1.00 0.00 C ATOM 961 C ARG A 65 -1.595 11.948 -1.942 1.00 0.00 C ATOM 962 O ARG A 65 -0.819 12.897 -2.045 1.00 0.00 O ATOM 963 CB ARG A 65 -3.262 11.885 -0.079 1.00 0.00 C ATOM 964 CG ARG A 65 -3.060 13.098 0.811 1.00 0.00 C ATOM 965 CD ARG A 65 -3.567 12.837 2.221 1.00 0.00 C ATOM 966 NE ARG A 65 -4.444 13.906 2.694 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.318 13.764 3.687 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.433 12.603 4.320 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.079 14.787 4.050 1.00 0.00 N ATOM 0 H ARG A 65 -4.413 10.594 -1.820 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.323 13.203 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.271 11.501 0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.573 11.100 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.001 13.355 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.583 13.955 0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.106 11.890 2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.719 12.737 2.899 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.382 14.815 2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.849 11.813 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.105 12.501 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.994 15.682 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.749 14.679 4.811 1.00 0.00 H new ATOM 983 N ALA A 66 -1.239 10.687 -2.168 1.00 0.00 N ATOM 984 CA ALA A 66 0.118 10.340 -2.557 1.00 0.00 C ATOM 985 C ALA A 66 0.426 10.942 -3.915 1.00 0.00 C ATOM 986 O ALA A 66 1.515 11.464 -4.140 1.00 0.00 O ATOM 987 CB ALA A 66 0.305 8.831 -2.568 1.00 0.00 C ATOM 0 H ALA A 66 -1.873 9.892 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 66 0.816 10.750 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.327 8.593 -2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.112 8.433 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.390 8.383 -3.278 1.00 0.00 H new ATOM 993 N LYS A 67 -0.552 10.889 -4.811 1.00 0.00 N ATOM 994 CA LYS A 67 -0.391 11.455 -6.140 1.00 0.00 C ATOM 995 C LYS A 67 -0.158 12.954 -6.031 1.00 0.00 C ATOM 996 O LYS A 67 0.764 13.500 -6.638 1.00 0.00 O ATOM 997 CB LYS A 67 -1.622 11.167 -7.002 1.00 0.00 C ATOM 998 CG LYS A 67 -1.463 9.955 -7.905 1.00 0.00 C ATOM 999 CD LYS A 67 -2.764 9.179 -8.033 1.00 0.00 C ATOM 1000 CE LYS A 67 -2.554 7.849 -8.737 1.00 0.00 C ATOM 1001 NZ LYS A 67 -2.176 8.032 -10.166 1.00 0.00 N ATOM 0 H LYS A 67 -1.462 10.461 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 67 0.472 10.993 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.483 11.014 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.838 12.041 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.132 10.277 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.687 9.302 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.184 9.005 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.490 9.774 -8.587 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.774 7.286 -8.224 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.467 7.257 -8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.857 7.532 -10.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.183 9.045 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.223 7.647 -10.325 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.988 13.608 -5.229 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.864 15.039 -5.001 1.00 0.00 C ATOM 1017 C ASN A 68 0.407 15.329 -4.208 1.00 0.00 C ATOM 1018 O ASN A 68 0.975 16.417 -4.289 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.087 15.560 -4.243 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.307 17.046 -4.452 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.123 17.453 -5.278 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.578 17.864 -3.700 1.00 0.00 N ATOM 0 H ASN A 68 -1.757 13.167 -4.724 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.806 15.547 -5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.973 15.015 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.964 15.360 -3.179 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.683 18.874 -3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.913 17.482 -3.028 1.00 0.00 H new ATOM 1029 N ALA A 69 0.840 14.333 -3.440 1.00 0.00 N ATOM 1030 CA ALA A 69 2.039 14.447 -2.621 1.00 0.00 C ATOM 1031 C ALA A 69 3.306 14.312 -3.462 1.00 0.00 C ATOM 1032 O ALA A 69 4.379 14.757 -3.058 1.00 0.00 O ATOM 1033 CB ALA A 69 2.022 13.382 -1.537 1.00 0.00 C ATOM 0 H ALA A 69 0.371 13.430 -3.369 1.00 0.00 H new ATOM 0 HA ALA A 69 2.044 15.437 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.920 13.470 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.141 13.516 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.992 12.395 -1.998 1.00 0.00 H new ATOM 1039 N GLY A 70 3.176 13.682 -4.626 1.00 0.00 N ATOM 1040 CA GLY A 70 4.318 13.486 -5.495 1.00 0.00 C ATOM 1041 C GLY A 70 4.709 12.026 -5.573 1.00 0.00 C ATOM 1042 O GLY A 70 5.854 11.693 -5.879 1.00 0.00 O ATOM 0 H GLY A 70 2.298 13.304 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.085 13.856 -6.494 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.161 14.071 -5.128 1.00 0.00 H new ATOM 1046 N PHE A 71 3.748 11.155 -5.282 1.00 0.00 N ATOM 1047 CA PHE A 71 3.970 9.721 -5.299 1.00 0.00 C ATOM 1048 C PHE A 71 2.874 9.041 -6.112 1.00 0.00 C ATOM 1049 O PHE A 71 1.743 9.514 -6.150 1.00 0.00 O ATOM 1050 CB PHE A 71 3.959 9.183 -3.867 1.00 0.00 C ATOM 1051 CG PHE A 71 4.454 10.173 -2.846 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.668 10.817 -3.016 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.693 10.467 -1.723 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.117 11.736 -2.085 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.137 11.386 -0.791 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.350 12.021 -0.971 1.00 0.00 C ATOM 0 H PHE A 71 2.798 11.426 -5.029 1.00 0.00 H new ATOM 0 HA PHE A 71 4.937 9.511 -5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.943 8.884 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.577 8.286 -3.820 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.271 10.599 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.744 9.973 -1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.066 12.231 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.535 11.607 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.699 12.739 -0.243 1.00 0.00 H new ATOM 1066 N ASP A 72 3.202 7.931 -6.756 1.00 0.00 N ATOM 1067 CA ASP A 72 2.221 7.212 -7.557 1.00 0.00 C ATOM 1068 C ASP A 72 1.533 6.130 -6.734 1.00 0.00 C ATOM 1069 O ASP A 72 1.813 4.943 -6.901 1.00 0.00 O ATOM 1070 CB ASP A 72 2.892 6.587 -8.784 1.00 0.00 C ATOM 1071 CG ASP A 72 1.894 5.936 -9.720 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.880 6.584 -10.053 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.126 4.775 -10.122 1.00 0.00 O ATOM 0 H ASP A 72 4.131 7.511 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 72 1.466 7.926 -7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.444 7.356 -9.324 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.619 5.843 -8.458 1.00 0.00 H new ATOM 1078 N ALA A 73 0.626 6.538 -5.845 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.095 5.587 -5.004 1.00 0.00 C ATOM 1080 C ALA A 73 -1.327 5.027 -5.706 1.00 0.00 C ATOM 1081 O ALA A 73 -2.048 5.747 -6.395 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.505 6.243 -3.696 1.00 0.00 C ATOM 0 H ALA A 73 0.376 7.515 -5.691 1.00 0.00 H new ATOM 0 HA ALA A 73 0.582 4.757 -4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.042 5.522 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.384 6.583 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.152 7.095 -3.904 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.563 3.736 -5.505 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.712 3.058 -6.092 1.00 0.00 C ATOM 1090 C ILE A 74 -3.417 2.218 -5.034 1.00 0.00 C ATOM 1091 O ILE A 74 -2.787 1.742 -4.096 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.299 2.151 -7.267 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.263 1.123 -6.809 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.751 2.987 -8.413 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.240 -0.130 -7.657 1.00 0.00 C ATOM 0 H ILE A 74 -0.969 3.134 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.387 3.825 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.181 1.617 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.275 1.582 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.468 0.848 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.463 2.332 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.517 3.683 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.879 3.545 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.482 -0.814 -7.275 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.217 -0.613 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.004 0.133 -8.688 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.723 2.035 -5.185 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.486 1.244 -4.226 1.00 0.00 C ATOM 1109 C VAL A 75 -5.812 -0.132 -4.788 1.00 0.00 C ATOM 1110 O VAL A 75 -6.193 -0.266 -5.952 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.791 1.956 -3.810 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.616 1.077 -2.876 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.475 3.291 -3.151 1.00 0.00 C ATOM 0 H VAL A 75 -5.272 2.419 -5.954 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.859 1.128 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.383 2.141 -4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.530 1.601 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.871 0.146 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.037 0.855 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.404 3.783 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.863 3.123 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.932 3.924 -3.853 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.658 -1.156 -3.955 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.933 -2.523 -4.371 1.00 0.00 C ATOM 1125 C ILE A 76 -6.688 -3.290 -3.292 1.00 0.00 C ATOM 1126 O ILE A 76 -6.394 -3.164 -2.098 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.633 -3.278 -4.705 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -3.612 -3.108 -3.577 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -4.057 -2.786 -6.025 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -2.759 -4.336 -3.345 1.00 0.00 C ATOM 0 H ILE A 76 -5.344 -1.063 -2.989 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.552 -2.461 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.864 -4.339 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.963 -2.263 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.139 -2.862 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.139 -3.330 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.780 -2.955 -6.823 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.839 -1.720 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.059 -4.144 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.398 -5.179 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.205 -4.571 -4.254 1.00 0.00 H new ATOM 1142 N LEU A 77 -7.662 -4.085 -3.725 1.00 0.00 N ATOM 1143 CA LEU A 77 -8.470 -4.885 -2.817 1.00 0.00 C ATOM 1144 C LEU A 77 -8.034 -6.347 -2.866 1.00 0.00 C ATOM 1145 O LEU A 77 -8.327 -7.061 -3.825 1.00 0.00 O ATOM 1146 CB LEU A 77 -9.954 -4.756 -3.187 1.00 0.00 C ATOM 1147 CG LEU A 77 -10.868 -5.850 -2.631 1.00 0.00 C ATOM 1148 CD1 LEU A 77 -10.921 -5.782 -1.113 1.00 0.00 C ATOM 1149 CD2 LEU A 77 -12.265 -5.725 -3.223 1.00 0.00 C ATOM 0 H LEU A 77 -7.910 -4.191 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.327 -4.518 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.316 -3.790 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.041 -4.752 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.459 -6.820 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.576 -6.568 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.919 -5.920 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.307 -4.810 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.903 -6.510 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.682 -4.751 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.211 -5.825 -4.307 1.00 0.00 H new ATOM 1161 N GLU A 78 -7.327 -6.787 -1.829 1.00 0.00 N ATOM 1162 CA GLU A 78 -6.847 -8.164 -1.761 1.00 0.00 C ATOM 1163 C GLU A 78 -7.297 -8.840 -0.470 1.00 0.00 C ATOM 1164 O GLU A 78 -7.430 -8.192 0.569 1.00 0.00 O ATOM 1165 CB GLU A 78 -5.322 -8.198 -1.859 1.00 0.00 C ATOM 1166 CG GLU A 78 -4.771 -7.439 -3.054 1.00 0.00 C ATOM 1167 CD GLU A 78 -3.255 -7.409 -3.080 1.00 0.00 C ATOM 1168 OE1 GLU A 78 -2.650 -7.088 -2.035 1.00 0.00 O ATOM 1169 OE2 GLU A 78 -2.672 -7.711 -4.143 1.00 0.00 O ATOM 0 H GLU A 78 -7.074 -6.211 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.274 -8.710 -2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.898 -7.779 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.993 -9.236 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.137 -7.899 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.150 -6.417 -3.037 1.00 0.00 H new ATOM 1176 N SER A 79 -7.529 -10.146 -0.543 1.00 0.00 N ATOM 1177 CA SER A 79 -7.963 -10.914 0.620 1.00 0.00 C ATOM 1178 C SER A 79 -6.766 -11.517 1.349 1.00 0.00 C ATOM 1179 O SER A 79 -6.233 -12.537 0.865 1.00 0.00 O ATOM 1180 CB SER A 79 -8.928 -12.022 0.195 1.00 0.00 C ATOM 1181 OG SER A 79 -10.269 -11.565 0.212 1.00 0.00 O ATOM 1182 OXT SER A 79 -6.374 -10.964 2.397 1.00 0.00 O ATOM 0 H SER A 79 -7.424 -10.696 -1.396 1.00 0.00 H new ATOM 0 HA SER A 79 -8.478 -10.237 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.671 -12.368 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.823 -12.876 0.864 1.00 0.00 H new ATOM 0 HG SER A 79 -10.787 -12.045 -0.467 1.00 0.00 H new TER 1188 SER A 79