USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 39 HIS : no HD1:sc= -9.41! C(o=-12!,f=-15!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -2.32 K(o=-12,f=-18!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-7.2!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ 161:sc=-0.00335 (180deg=0) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -6.34! C(o=-5.9!,f=-8.9!) USER MOD Set 3.2: A 20 SER OG : rot -145:sc= 0.429 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 112:sc= -1.97 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 13 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.042) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.0431 (180deg=0.031) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 40:sc= -1.58 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -82:sc= 0.193 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.64 K(o=-4.6,f=-3.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.2!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 42:sc= 0.53 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.25 K(o=-2.2,f=-3.8) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.580 12.707 -27.498 1.00 0.00 N ATOM 2 CA VAL A 4 14.185 13.568 -26.397 1.00 0.00 C ATOM 3 C VAL A 4 15.399 13.839 -25.506 1.00 0.00 C ATOM 4 O VAL A 4 16.354 13.063 -25.500 1.00 0.00 O ATOM 5 CB VAL A 4 13.014 12.942 -25.637 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.362 12.747 -24.159 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.746 13.782 -25.796 1.00 0.00 C ATOM 0 HA VAL A 4 13.835 14.530 -26.771 1.00 0.00 H new ATOM 0 HB VAL A 4 12.821 11.960 -26.068 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.513 12.301 -23.641 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.227 12.089 -24.073 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.594 13.712 -23.709 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.929 13.315 -25.246 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.922 14.784 -25.404 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.483 13.847 -26.852 1.00 0.00 H new ATOM 17 N LYS A 5 15.325 14.942 -24.776 1.00 0.00 N ATOM 18 CA LYS A 5 16.406 15.325 -23.885 1.00 0.00 C ATOM 19 C LYS A 5 16.183 14.682 -22.514 1.00 0.00 C ATOM 20 O LYS A 5 15.056 14.635 -22.023 1.00 0.00 O ATOM 21 CB LYS A 5 16.545 16.848 -23.834 1.00 0.00 C ATOM 22 CG LYS A 5 18.010 17.260 -23.679 1.00 0.00 C ATOM 23 CD LYS A 5 18.495 18.033 -24.907 1.00 0.00 C ATOM 24 CE LYS A 5 19.657 18.961 -24.546 1.00 0.00 C ATOM 25 NZ LYS A 5 19.214 20.375 -24.561 1.00 0.00 N ATOM 0 H LYS A 5 14.532 15.583 -24.784 1.00 0.00 H new ATOM 0 HA LYS A 5 17.359 14.954 -24.261 1.00 0.00 H new ATOM 0 HB2 LYS A 5 16.135 17.285 -24.745 1.00 0.00 H new ATOM 0 HB3 LYS A 5 15.963 17.242 -23.001 1.00 0.00 H new ATOM 0 HG2 LYS A 5 18.126 17.877 -22.788 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.628 16.373 -23.536 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.811 17.333 -25.681 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.673 18.617 -25.322 1.00 0.00 H new ATOM 0 HE2 LYS A 5 20.042 18.705 -23.559 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.475 18.822 -25.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.014 20.992 -24.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.868 20.620 -25.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.449 20.506 -23.869 1.00 0.00 H new ATOM 39 N TYR A 6 17.275 14.203 -21.937 1.00 0.00 N ATOM 40 CA TYR A 6 17.212 13.564 -20.633 1.00 0.00 C ATOM 41 C TYR A 6 17.456 14.578 -19.514 1.00 0.00 C ATOM 42 O TYR A 6 18.598 14.806 -19.116 1.00 0.00 O ATOM 43 CB TYR A 6 18.335 12.525 -20.618 1.00 0.00 C ATOM 44 CG TYR A 6 18.021 11.258 -21.414 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.764 10.691 -21.344 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.995 10.679 -22.203 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.468 9.499 -22.093 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.698 9.486 -22.953 1.00 0.00 C ATOM 49 CZ TYR A 6 17.450 8.954 -22.861 1.00 0.00 C ATOM 50 OH TYR A 6 17.170 7.828 -23.569 1.00 0.00 O ATOM 0 H TYR A 6 18.208 14.244 -22.348 1.00 0.00 H new ATOM 0 HA TYR A 6 16.230 13.120 -20.470 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.241 12.979 -21.020 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.547 12.249 -19.585 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.002 11.143 -20.726 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.979 11.121 -22.258 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.488 9.047 -22.047 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.450 9.024 -23.575 1.00 0.00 H new ATOM 0 HH TYR A 6 17.964 7.552 -24.072 1.00 0.00 H new ATOM 60 N TYR A 7 16.366 15.161 -19.038 1.00 0.00 N ATOM 61 CA TYR A 7 16.447 16.145 -17.972 1.00 0.00 C ATOM 62 C TYR A 7 16.148 15.508 -16.613 1.00 0.00 C ATOM 63 O TYR A 7 15.146 14.813 -16.457 1.00 0.00 O ATOM 64 CB TYR A 7 15.372 17.189 -18.280 1.00 0.00 C ATOM 65 CG TYR A 7 14.460 16.817 -19.450 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.403 15.952 -19.254 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.695 17.346 -20.703 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.544 15.602 -20.355 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.836 16.996 -21.805 1.00 0.00 C ATOM 70 CZ TYR A 7 12.803 16.141 -21.577 1.00 0.00 C ATOM 71 OH TYR A 7 11.992 15.811 -22.617 1.00 0.00 O ATOM 0 H TYR A 7 15.421 14.971 -19.371 1.00 0.00 H new ATOM 0 HA TYR A 7 17.447 16.576 -17.923 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.761 17.340 -17.390 1.00 0.00 H new ATOM 0 HB3 TYR A 7 15.856 18.141 -18.499 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.220 15.537 -18.274 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.523 18.022 -20.857 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.713 14.927 -20.214 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.008 17.403 -22.790 1.00 0.00 H new ATOM 0 HH TYR A 7 11.480 16.599 -22.895 1.00 0.00 H new ATOM 81 N THR A 8 17.037 15.768 -15.665 1.00 0.00 N ATOM 82 CA THR A 8 16.881 15.230 -14.325 1.00 0.00 C ATOM 83 C THR A 8 15.901 16.083 -13.518 1.00 0.00 C ATOM 84 O THR A 8 15.674 17.248 -13.841 1.00 0.00 O ATOM 85 CB THR A 8 18.269 15.134 -13.690 1.00 0.00 C ATOM 86 OG1 THR A 8 18.583 16.478 -13.337 1.00 0.00 O ATOM 87 CG2 THR A 8 19.351 14.751 -14.702 1.00 0.00 C ATOM 0 H THR A 8 17.868 16.344 -15.799 1.00 0.00 H new ATOM 0 HA THR A 8 16.448 14.230 -14.348 1.00 0.00 H new ATOM 0 HB THR A 8 18.250 14.400 -12.885 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.468 16.508 -12.916 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.317 14.697 -14.199 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.114 13.781 -15.138 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.394 15.502 -15.490 1.00 0.00 H new ATOM 95 N LEU A 9 15.345 15.470 -12.483 1.00 0.00 N ATOM 96 CA LEU A 9 14.394 16.159 -11.627 1.00 0.00 C ATOM 97 C LEU A 9 14.805 17.627 -11.493 1.00 0.00 C ATOM 98 O LEU A 9 13.957 18.517 -11.514 1.00 0.00 O ATOM 99 CB LEU A 9 14.257 15.434 -10.286 1.00 0.00 C ATOM 100 CG LEU A 9 13.427 14.148 -10.301 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.583 13.411 -11.631 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.776 13.258 -9.107 1.00 0.00 C ATOM 0 H LEU A 9 15.535 14.504 -12.218 1.00 0.00 H new ATOM 0 HA LEU A 9 13.400 16.145 -12.074 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.256 15.194 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.812 16.122 -9.567 1.00 0.00 H new ATOM 0 HG LEU A 9 12.375 14.418 -10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.983 12.501 -11.615 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.246 14.053 -12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.631 13.152 -11.783 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.173 12.351 -9.141 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.832 12.993 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.572 13.795 -8.181 1.00 0.00 H new ATOM 114 N GLU A 10 16.107 17.834 -11.360 1.00 0.00 N ATOM 115 CA GLU A 10 16.641 19.178 -11.223 1.00 0.00 C ATOM 116 C GLU A 10 15.818 20.163 -12.056 1.00 0.00 C ATOM 117 O GLU A 10 15.666 21.324 -11.679 1.00 0.00 O ATOM 118 CB GLU A 10 18.117 19.224 -11.619 1.00 0.00 C ATOM 119 CG GLU A 10 18.887 20.222 -10.751 1.00 0.00 C ATOM 120 CD GLU A 10 18.892 19.782 -9.286 1.00 0.00 C ATOM 121 OE1 GLU A 10 19.353 18.648 -9.034 1.00 0.00 O ATOM 122 OE2 GLU A 10 18.434 20.592 -8.449 1.00 0.00 O ATOM 0 H GLU A 10 16.808 17.093 -11.344 1.00 0.00 H new ATOM 0 HA GLU A 10 16.571 19.471 -10.176 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.556 18.232 -11.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.207 19.504 -12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 10 19.912 20.309 -11.112 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.434 21.210 -10.837 1.00 0.00 H new ATOM 129 N GLU A 11 15.309 19.663 -13.173 1.00 0.00 N ATOM 130 CA GLU A 11 14.506 20.485 -14.062 1.00 0.00 C ATOM 131 C GLU A 11 13.016 20.272 -13.781 1.00 0.00 C ATOM 132 O GLU A 11 12.276 21.233 -13.578 1.00 0.00 O ATOM 133 CB GLU A 11 14.835 20.191 -15.527 1.00 0.00 C ATOM 134 CG GLU A 11 16.343 20.043 -15.731 1.00 0.00 C ATOM 135 CD GLU A 11 17.104 21.171 -15.031 1.00 0.00 C ATOM 136 OE1 GLU A 11 16.638 22.325 -15.142 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.135 20.854 -14.399 1.00 0.00 O ATOM 0 H GLU A 11 15.437 18.699 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 11 14.746 21.531 -13.873 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.331 19.277 -15.840 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.456 20.996 -16.157 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.674 19.080 -15.342 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.572 20.051 -16.797 1.00 0.00 H new ATOM 144 N ILE A 12 12.623 19.007 -13.778 1.00 0.00 N ATOM 145 CA ILE A 12 11.236 18.656 -13.525 1.00 0.00 C ATOM 146 C ILE A 12 10.761 19.355 -12.251 1.00 0.00 C ATOM 147 O ILE A 12 9.623 19.816 -12.178 1.00 0.00 O ATOM 148 CB ILE A 12 11.065 17.135 -13.493 1.00 0.00 C ATOM 149 CG1 ILE A 12 10.517 16.617 -14.823 1.00 0.00 C ATOM 150 CG2 ILE A 12 10.196 16.706 -12.309 1.00 0.00 C ATOM 151 CD1 ILE A 12 10.825 15.127 -14.999 1.00 0.00 C ATOM 0 H ILE A 12 13.240 18.213 -13.947 1.00 0.00 H new ATOM 0 HA ILE A 12 10.600 19.008 -14.337 1.00 0.00 H new ATOM 0 HB ILE A 12 12.047 16.684 -13.352 1.00 0.00 H new ATOM 0 HG12 ILE A 12 9.440 16.777 -14.864 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.954 17.182 -15.646 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.090 15.621 -12.309 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.666 17.024 -11.378 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.212 17.166 -12.394 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.425 14.783 -15.953 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.904 14.974 -14.982 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.366 14.562 -14.188 1.00 0.00 H new ATOM 163 N GLN A 13 11.657 19.412 -11.276 1.00 0.00 N ATOM 164 CA GLN A 13 11.345 20.048 -10.008 1.00 0.00 C ATOM 165 C GLN A 13 11.403 21.571 -10.148 1.00 0.00 C ATOM 166 O GLN A 13 10.753 22.293 -9.394 1.00 0.00 O ATOM 167 CB GLN A 13 12.287 19.563 -8.904 1.00 0.00 C ATOM 168 CG GLN A 13 13.749 19.774 -9.300 1.00 0.00 C ATOM 169 CD GLN A 13 14.491 20.594 -8.242 1.00 0.00 C ATOM 170 OE1 GLN A 13 14.116 21.705 -7.905 1.00 0.00 O ATOM 171 NE2 GLN A 13 15.561 19.985 -7.738 1.00 0.00 N ATOM 0 H GLN A 13 12.600 19.028 -11.339 1.00 0.00 H new ATOM 0 HA GLN A 13 10.331 19.767 -9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.076 20.100 -7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.109 18.506 -8.707 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.238 18.808 -9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.799 20.284 -10.262 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.819 19.054 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 13 16.123 20.449 -7.025 1.00 0.00 H new ATOM 180 N LYS A 14 12.186 22.014 -11.120 1.00 0.00 N ATOM 181 CA LYS A 14 12.337 23.437 -11.369 1.00 0.00 C ATOM 182 C LYS A 14 11.081 23.965 -12.064 1.00 0.00 C ATOM 183 O LYS A 14 10.879 25.175 -12.156 1.00 0.00 O ATOM 184 CB LYS A 14 13.629 23.711 -12.143 1.00 0.00 C ATOM 185 CG LYS A 14 14.490 24.750 -11.422 1.00 0.00 C ATOM 186 CD LYS A 14 14.940 25.852 -12.383 1.00 0.00 C ATOM 187 CE LYS A 14 14.466 27.226 -11.902 1.00 0.00 C ATOM 188 NZ LYS A 14 13.161 27.566 -12.511 1.00 0.00 N ATOM 0 H LYS A 14 12.723 21.412 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 14 12.434 23.980 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.191 22.784 -12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.389 24.065 -13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.925 25.188 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.363 24.264 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.027 25.846 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.544 25.655 -13.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.378 27.227 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.204 27.984 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.774 28.414 -12.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.289 27.751 -13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.501 26.772 -12.385 1.00 0.00 H new ATOM 202 N HIS A 15 10.267 23.032 -12.535 1.00 0.00 N ATOM 203 CA HIS A 15 9.035 23.388 -13.218 1.00 0.00 C ATOM 204 C HIS A 15 7.838 22.862 -12.424 1.00 0.00 C ATOM 205 O HIS A 15 7.005 22.133 -12.961 1.00 0.00 O ATOM 206 CB HIS A 15 9.053 22.890 -14.665 1.00 0.00 C ATOM 207 CG HIS A 15 10.181 23.454 -15.496 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.987 23.992 -16.756 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.514 23.558 -15.233 1.00 0.00 C ATOM 210 CE1 HIS A 15 11.159 24.398 -17.222 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.105 24.128 -16.276 1.00 0.00 N ATOM 0 H HIS A 15 10.437 22.029 -12.457 1.00 0.00 H new ATOM 0 HA HIS A 15 8.943 24.473 -13.270 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.126 21.802 -14.663 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.105 23.145 -15.138 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.006 23.232 -14.329 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.335 24.861 -18.182 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.101 24.331 -16.357 1.00 0.00 H new ATOM 219 N LYS A 16 7.789 23.254 -11.160 1.00 0.00 N ATOM 220 CA LYS A 16 6.708 22.832 -10.286 1.00 0.00 C ATOM 221 C LYS A 16 5.796 24.026 -9.997 1.00 0.00 C ATOM 222 O LYS A 16 5.689 24.468 -8.854 1.00 0.00 O ATOM 223 CB LYS A 16 7.265 22.165 -9.027 1.00 0.00 C ATOM 224 CG LYS A 16 6.133 21.693 -8.111 1.00 0.00 C ATOM 225 CD LYS A 16 6.677 21.262 -6.747 1.00 0.00 C ATOM 226 CE LYS A 16 5.984 19.989 -6.259 1.00 0.00 C ATOM 227 NZ LYS A 16 4.655 20.307 -5.693 1.00 0.00 N ATOM 0 H LYS A 16 8.481 23.860 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 16 6.097 22.074 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.890 21.316 -9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.903 22.867 -8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.407 22.496 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.607 20.860 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.751 21.092 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.528 22.062 -6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.875 19.287 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.599 19.499 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.198 19.432 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.766 20.959 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.065 20.754 -6.423 1.00 0.00 H new ATOM 241 N ASP A 17 5.160 24.515 -11.052 1.00 0.00 N ATOM 242 CA ASP A 17 4.262 25.649 -10.926 1.00 0.00 C ATOM 243 C ASP A 17 3.273 25.643 -12.094 1.00 0.00 C ATOM 244 O ASP A 17 3.578 25.126 -13.168 1.00 0.00 O ATOM 245 CB ASP A 17 5.032 26.970 -10.966 1.00 0.00 C ATOM 246 CG ASP A 17 4.906 27.831 -9.708 1.00 0.00 C ATOM 247 OD1 ASP A 17 5.000 27.245 -8.608 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.716 29.055 -9.876 1.00 0.00 O ATOM 0 H ASP A 17 5.250 24.146 -11.998 1.00 0.00 H new ATOM 0 HA ASP A 17 3.744 25.563 -9.971 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.087 26.753 -11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.684 27.550 -11.821 1.00 0.00 H new ATOM 253 N SER A 18 2.108 26.222 -11.844 1.00 0.00 N ATOM 254 CA SER A 18 1.072 26.290 -12.861 1.00 0.00 C ATOM 255 C SER A 18 1.698 26.582 -14.226 1.00 0.00 C ATOM 256 O SER A 18 1.545 25.799 -15.163 1.00 0.00 O ATOM 257 CB SER A 18 0.031 27.356 -12.516 1.00 0.00 C ATOM 258 OG SER A 18 -1.158 27.211 -13.289 1.00 0.00 O ATOM 0 H SER A 18 1.858 26.649 -10.952 1.00 0.00 H new ATOM 0 HA SER A 18 0.566 25.325 -12.899 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.216 27.292 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.455 28.346 -12.686 1.00 0.00 H new ATOM 0 HG SER A 18 -1.798 27.909 -13.038 1.00 0.00 H new ATOM 264 N LYS A 19 2.389 27.710 -14.297 1.00 0.00 N ATOM 265 CA LYS A 19 3.039 28.114 -15.532 1.00 0.00 C ATOM 266 C LYS A 19 3.653 26.886 -16.205 1.00 0.00 C ATOM 267 O LYS A 19 3.377 26.609 -17.372 1.00 0.00 O ATOM 268 CB LYS A 19 4.043 29.238 -15.267 1.00 0.00 C ATOM 269 CG LYS A 19 4.671 29.730 -16.571 1.00 0.00 C ATOM 270 CD LYS A 19 3.786 30.783 -17.243 1.00 0.00 C ATOM 271 CE LYS A 19 2.884 30.145 -18.301 1.00 0.00 C ATOM 272 NZ LYS A 19 3.508 30.239 -19.639 1.00 0.00 N ATOM 0 H LYS A 19 2.513 28.357 -13.519 1.00 0.00 H new ATOM 0 HA LYS A 19 2.310 28.528 -16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.543 30.066 -14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.824 28.882 -14.595 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.655 30.153 -16.368 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.819 28.888 -17.248 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.174 31.283 -16.492 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.411 31.547 -17.705 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.703 29.100 -18.050 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.915 30.643 -18.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.883 29.801 -20.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.659 31.239 -19.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.422 29.743 -19.631 1.00 0.00 H new ATOM 286 N SER A 20 4.476 26.181 -15.442 1.00 0.00 N ATOM 287 CA SER A 20 5.133 24.989 -15.950 1.00 0.00 C ATOM 288 C SER A 20 5.077 23.874 -14.904 1.00 0.00 C ATOM 289 O SER A 20 5.741 23.954 -13.871 1.00 0.00 O ATOM 290 CB SER A 20 6.584 25.283 -16.337 1.00 0.00 C ATOM 291 OG SER A 20 6.978 24.574 -17.509 1.00 0.00 O ATOM 0 H SER A 20 4.703 26.413 -14.475 1.00 0.00 H new ATOM 0 HA SER A 20 4.605 24.663 -16.846 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.705 26.353 -16.503 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.242 25.012 -15.511 1.00 0.00 H new ATOM 0 HG SER A 20 7.920 24.314 -17.433 1.00 0.00 H new ATOM 297 N THR A 21 4.278 22.862 -15.206 1.00 0.00 N ATOM 298 CA THR A 21 4.128 21.733 -14.304 1.00 0.00 C ATOM 299 C THR A 21 4.045 20.425 -15.095 1.00 0.00 C ATOM 300 O THR A 21 3.176 20.267 -15.951 1.00 0.00 O ATOM 301 CB THR A 21 2.901 21.989 -13.427 1.00 0.00 C ATOM 302 OG1 THR A 21 3.386 22.846 -12.396 1.00 0.00 O ATOM 303 CG2 THR A 21 2.441 20.735 -12.682 1.00 0.00 C ATOM 0 H THR A 21 3.728 22.800 -16.063 1.00 0.00 H new ATOM 0 HA THR A 21 4.996 21.629 -13.653 1.00 0.00 H new ATOM 0 HB THR A 21 2.085 22.364 -14.045 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.011 23.497 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.568 20.972 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.182 19.958 -13.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.245 20.379 -12.038 1.00 0.00 H new ATOM 311 N TRP A 22 4.963 19.523 -14.782 1.00 0.00 N ATOM 312 CA TRP A 22 5.005 18.235 -15.453 1.00 0.00 C ATOM 313 C TRP A 22 4.838 17.144 -14.393 1.00 0.00 C ATOM 314 O TRP A 22 4.583 17.441 -13.227 1.00 0.00 O ATOM 315 CB TRP A 22 6.291 18.083 -16.268 1.00 0.00 C ATOM 316 CG TRP A 22 6.767 19.379 -16.927 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.020 20.355 -17.462 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.135 19.804 -17.099 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.804 21.373 -17.965 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.131 21.028 -17.738 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.336 19.175 -16.729 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.299 21.728 -18.060 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.496 19.888 -17.058 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.509 21.121 -17.701 1.00 0.00 C ATOM 0 H TRP A 22 5.683 19.658 -14.073 1.00 0.00 H new ATOM 0 HA TRP A 22 4.191 18.149 -16.173 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.080 17.708 -15.616 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.132 17.331 -17.041 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.941 20.346 -17.495 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.471 22.223 -18.420 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.363 18.217 -16.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.269 22.685 -18.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.447 19.449 -16.794 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.447 21.608 -17.922 1.00 0.00 H new ATOM 335 N VAL A 23 4.986 15.905 -14.838 1.00 0.00 N ATOM 336 CA VAL A 23 4.854 14.768 -13.942 1.00 0.00 C ATOM 337 C VAL A 23 5.542 13.551 -14.563 1.00 0.00 C ATOM 338 O VAL A 23 5.080 13.020 -15.572 1.00 0.00 O ATOM 339 CB VAL A 23 3.377 14.521 -13.623 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.846 15.569 -12.643 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.539 14.491 -14.902 1.00 0.00 C ATOM 0 H VAL A 23 5.196 15.663 -15.806 1.00 0.00 H new ATOM 0 HA VAL A 23 5.349 14.972 -12.992 1.00 0.00 H new ATOM 0 HB VAL A 23 3.295 13.545 -13.146 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.795 15.371 -12.433 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.417 15.522 -11.715 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.948 16.562 -13.082 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.494 14.314 -14.648 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.630 15.446 -15.419 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.895 13.691 -15.552 1.00 0.00 H new ATOM 351 N ILE A 24 6.636 13.145 -13.936 1.00 0.00 N ATOM 352 CA ILE A 24 7.392 12.001 -14.414 1.00 0.00 C ATOM 353 C ILE A 24 6.603 10.720 -14.138 1.00 0.00 C ATOM 354 O ILE A 24 6.613 10.211 -13.018 1.00 0.00 O ATOM 355 CB ILE A 24 8.800 11.999 -13.813 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.588 10.769 -14.266 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.743 12.115 -12.288 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.084 9.506 -13.564 1.00 0.00 C ATOM 0 H ILE A 24 7.017 13.589 -13.100 1.00 0.00 H new ATOM 0 HA ILE A 24 7.532 12.062 -15.493 1.00 0.00 H new ATOM 0 HB ILE A 24 9.332 12.875 -14.184 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.496 10.651 -15.346 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.647 10.911 -14.050 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.756 12.111 -11.885 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.246 13.045 -12.012 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.187 11.271 -11.879 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.661 8.646 -13.904 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.200 9.618 -12.486 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.031 9.353 -13.801 1.00 0.00 H new ATOM 370 N LEU A 25 5.938 10.237 -15.176 1.00 0.00 N ATOM 371 CA LEU A 25 5.145 9.025 -15.058 1.00 0.00 C ATOM 372 C LEU A 25 5.707 7.959 -16.000 1.00 0.00 C ATOM 373 O LEU A 25 5.990 8.240 -17.164 1.00 0.00 O ATOM 374 CB LEU A 25 3.664 9.330 -15.290 1.00 0.00 C ATOM 375 CG LEU A 25 3.289 9.813 -16.692 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.992 8.630 -17.617 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.126 10.805 -16.639 1.00 0.00 C ATOM 0 H LEU A 25 5.932 10.663 -16.103 1.00 0.00 H new ATOM 0 HA LEU A 25 5.211 8.624 -14.047 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.090 8.429 -15.072 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.353 10.088 -14.571 1.00 0.00 H new ATOM 0 HG LEU A 25 4.144 10.344 -17.110 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.728 9.000 -18.608 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.875 7.995 -17.690 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.161 8.051 -17.213 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.880 11.132 -17.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.257 10.323 -16.192 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.411 11.668 -16.038 1.00 0.00 H new ATOM 389 N HIS A 26 5.853 6.757 -15.462 1.00 0.00 N ATOM 390 CA HIS A 26 6.377 5.647 -16.240 1.00 0.00 C ATOM 391 C HIS A 26 7.725 6.038 -16.848 1.00 0.00 C ATOM 392 O HIS A 26 8.052 5.626 -17.960 1.00 0.00 O ATOM 393 CB HIS A 26 5.362 5.193 -17.292 1.00 0.00 C ATOM 394 CG HIS A 26 4.952 3.745 -17.165 1.00 0.00 C ATOM 395 ND1 HIS A 26 5.814 2.697 -17.435 1.00 0.00 N ATOM 396 CD2 HIS A 26 3.766 3.184 -16.796 1.00 0.00 C ATOM 397 CE1 HIS A 26 5.165 1.560 -17.234 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.895 1.864 -16.839 1.00 0.00 N ATOM 0 H HIS A 26 5.618 6.527 -14.496 1.00 0.00 H new ATOM 0 HA HIS A 26 6.546 4.790 -15.588 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.473 5.819 -17.219 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.785 5.355 -18.284 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.873 3.722 -16.516 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.570 0.567 -17.361 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.165 1.188 -16.614 1.00 0.00 H new ATOM 406 N HIS A 27 8.473 6.827 -16.091 1.00 0.00 N ATOM 407 CA HIS A 27 9.779 7.278 -16.541 1.00 0.00 C ATOM 408 C HIS A 27 9.609 8.287 -17.678 1.00 0.00 C ATOM 409 O HIS A 27 10.587 8.684 -18.311 1.00 0.00 O ATOM 410 CB HIS A 27 10.661 6.089 -16.930 1.00 0.00 C ATOM 411 CG HIS A 27 11.764 6.434 -17.900 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.664 7.462 -17.678 1.00 0.00 N ATOM 413 CD2 HIS A 27 12.105 5.876 -19.097 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.502 7.512 -18.701 1.00 0.00 C ATOM 415 NE2 HIS A 27 13.155 6.530 -19.580 1.00 0.00 N ATOM 0 H HIS A 27 8.199 7.166 -15.169 1.00 0.00 H new ATOM 0 HA HIS A 27 10.294 7.785 -15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.104 5.668 -16.027 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.034 5.313 -17.370 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.606 5.044 -19.571 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.318 8.209 -18.819 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.624 6.330 -20.463 1.00 0.00 H new ATOM 423 N LYS A 28 8.363 8.673 -17.903 1.00 0.00 N ATOM 424 CA LYS A 28 8.053 9.629 -18.954 1.00 0.00 C ATOM 425 C LYS A 28 7.299 10.816 -18.350 1.00 0.00 C ATOM 426 O LYS A 28 6.199 10.656 -17.826 1.00 0.00 O ATOM 427 CB LYS A 28 7.304 8.942 -20.098 1.00 0.00 C ATOM 428 CG LYS A 28 7.517 7.428 -20.062 1.00 0.00 C ATOM 429 CD LYS A 28 8.987 7.075 -20.296 1.00 0.00 C ATOM 430 CE LYS A 28 9.199 6.507 -21.700 1.00 0.00 C ATOM 431 NZ LYS A 28 10.016 5.274 -21.643 1.00 0.00 N ATOM 0 H LYS A 28 7.555 8.342 -17.376 1.00 0.00 H new ATOM 0 HA LYS A 28 8.969 10.023 -19.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.239 9.165 -20.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.649 9.339 -21.053 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.194 7.035 -19.098 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.899 6.952 -20.824 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.604 7.964 -20.163 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.312 6.347 -19.553 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.235 6.290 -22.160 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.693 7.249 -22.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.888 4.732 -22.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.019 5.527 -21.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.716 4.696 -20.832 1.00 0.00 H new ATOM 445 N VAL A 29 7.924 11.980 -18.446 1.00 0.00 N ATOM 446 CA VAL A 29 7.326 13.195 -17.915 1.00 0.00 C ATOM 447 C VAL A 29 6.445 13.835 -18.990 1.00 0.00 C ATOM 448 O VAL A 29 6.792 13.825 -20.170 1.00 0.00 O ATOM 449 CB VAL A 29 8.419 14.134 -17.401 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.461 14.409 -18.487 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.817 15.439 -16.875 1.00 0.00 C ATOM 0 H VAL A 29 8.837 12.109 -18.883 1.00 0.00 H new ATOM 0 HA VAL A 29 6.686 12.966 -17.063 1.00 0.00 H new ATOM 0 HB VAL A 29 8.923 13.639 -16.571 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.226 15.079 -18.095 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.923 13.471 -18.794 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.977 14.874 -19.346 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.615 16.089 -16.516 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.275 15.939 -17.678 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.131 15.220 -16.057 1.00 0.00 H new ATOM 461 N TYR A 30 5.321 14.376 -18.544 1.00 0.00 N ATOM 462 CA TYR A 30 4.386 15.019 -19.451 1.00 0.00 C ATOM 463 C TYR A 30 4.100 16.457 -19.016 1.00 0.00 C ATOM 464 O TYR A 30 3.836 16.714 -17.842 1.00 0.00 O ATOM 465 CB TYR A 30 3.093 14.207 -19.370 1.00 0.00 C ATOM 466 CG TYR A 30 3.228 12.768 -19.872 1.00 0.00 C ATOM 467 CD1 TYR A 30 3.928 11.840 -19.128 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.651 12.397 -21.069 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.055 10.486 -19.600 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.778 11.043 -21.541 1.00 0.00 C ATOM 471 CZ TYR A 30 3.475 10.154 -20.784 1.00 0.00 C ATOM 472 OH TYR A 30 3.595 8.875 -21.231 1.00 0.00 O ATOM 0 H TYR A 30 5.036 14.382 -17.565 1.00 0.00 H new ATOM 0 HA TYR A 30 4.795 15.054 -20.461 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.752 14.189 -18.335 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.322 14.713 -19.951 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.381 12.130 -18.191 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.104 13.123 -21.652 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.599 9.750 -19.026 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.330 10.740 -22.476 1.00 0.00 H new ATOM 0 HH TYR A 30 3.130 8.783 -22.089 1.00 0.00 H new ATOM 482 N ASP A 31 4.163 17.358 -19.985 1.00 0.00 N ATOM 483 CA ASP A 31 3.914 18.765 -19.715 1.00 0.00 C ATOM 484 C ASP A 31 2.426 19.061 -19.911 1.00 0.00 C ATOM 485 O ASP A 31 2.025 19.585 -20.949 1.00 0.00 O ATOM 486 CB ASP A 31 4.705 19.657 -20.674 1.00 0.00 C ATOM 487 CG ASP A 31 4.328 21.140 -20.637 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.742 21.805 -19.662 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.637 21.575 -21.582 1.00 0.00 O ATOM 0 H ASP A 31 4.383 17.142 -20.957 1.00 0.00 H new ATOM 0 HA ASP A 31 4.224 18.973 -18.691 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.766 19.561 -20.444 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.565 19.287 -21.690 1.00 0.00 H new ATOM 494 N LEU A 32 1.648 18.713 -18.898 1.00 0.00 N ATOM 495 CA LEU A 32 0.213 18.935 -18.945 1.00 0.00 C ATOM 496 C LEU A 32 -0.097 20.348 -18.447 1.00 0.00 C ATOM 497 O LEU A 32 -1.246 20.664 -18.140 1.00 0.00 O ATOM 498 CB LEU A 32 -0.525 17.837 -18.177 1.00 0.00 C ATOM 499 CG LEU A 32 0.175 17.308 -16.925 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.843 16.849 -15.879 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.171 16.201 -17.279 1.00 0.00 C ATOM 0 H LEU A 32 1.984 18.278 -18.039 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.148 18.872 -19.971 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.504 18.219 -17.888 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.697 17.000 -18.854 1.00 0.00 H new ATOM 0 HG LEU A 32 0.745 18.125 -16.483 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.318 16.477 -14.999 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.477 17.689 -15.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.460 16.053 -16.296 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.655 15.843 -16.370 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.643 15.377 -17.759 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.925 16.594 -17.961 1.00 0.00 H new ATOM 513 N THR A 33 0.947 21.160 -18.381 1.00 0.00 N ATOM 514 CA THR A 33 0.801 22.532 -17.926 1.00 0.00 C ATOM 515 C THR A 33 -0.091 23.321 -18.887 1.00 0.00 C ATOM 516 O THR A 33 -0.606 24.380 -18.533 1.00 0.00 O ATOM 517 CB THR A 33 2.201 23.130 -17.768 1.00 0.00 C ATOM 518 OG1 THR A 33 2.122 23.882 -16.560 1.00 0.00 O ATOM 519 CG2 THR A 33 2.515 24.175 -18.839 1.00 0.00 C ATOM 0 H THR A 33 1.898 20.894 -18.635 1.00 0.00 H new ATOM 0 HA THR A 33 0.302 22.576 -16.958 1.00 0.00 H new ATOM 0 HB THR A 33 2.944 22.333 -17.811 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.714 24.754 -16.744 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.520 24.567 -18.681 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.456 23.714 -19.825 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.793 24.989 -18.775 1.00 0.00 H new ATOM 527 N LYS A 34 -0.246 22.774 -20.083 1.00 0.00 N ATOM 528 CA LYS A 34 -1.068 23.413 -21.097 1.00 0.00 C ATOM 529 C LYS A 34 -2.508 22.912 -20.972 1.00 0.00 C ATOM 530 O LYS A 34 -3.437 23.707 -20.838 1.00 0.00 O ATOM 531 CB LYS A 34 -0.462 23.205 -22.486 1.00 0.00 C ATOM 532 CG LYS A 34 -1.103 24.143 -23.511 1.00 0.00 C ATOM 533 CD LYS A 34 -0.066 25.099 -24.104 1.00 0.00 C ATOM 534 CE LYS A 34 -0.483 25.561 -25.502 1.00 0.00 C ATOM 535 NZ LYS A 34 0.706 25.731 -26.367 1.00 0.00 N ATOM 0 H LYS A 34 0.183 21.895 -20.373 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.092 24.492 -20.943 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.613 23.382 -22.448 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.603 22.170 -22.797 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.561 23.558 -24.308 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.901 24.715 -23.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.052 25.964 -23.451 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.904 24.604 -24.155 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.161 24.832 -25.945 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.028 26.503 -25.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.406 26.045 -27.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.339 26.443 -25.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.210 24.825 -26.447 1.00 0.00 H new ATOM 549 N PHE A 35 -2.648 21.595 -21.021 1.00 0.00 N ATOM 550 CA PHE A 35 -3.959 20.978 -20.915 1.00 0.00 C ATOM 551 C PHE A 35 -4.360 20.789 -19.451 1.00 0.00 C ATOM 552 O PHE A 35 -5.326 20.089 -19.153 1.00 0.00 O ATOM 553 CB PHE A 35 -3.863 19.606 -21.587 1.00 0.00 C ATOM 554 CG PHE A 35 -4.214 18.436 -20.664 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.327 18.028 -19.717 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.412 17.804 -20.793 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.652 16.943 -18.861 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.735 16.719 -19.937 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.849 16.311 -18.989 1.00 0.00 C ATOM 0 H PHE A 35 -1.875 20.939 -21.133 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.708 21.612 -21.389 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.529 19.588 -22.450 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.850 19.467 -21.964 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.376 18.529 -19.616 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.116 18.127 -21.546 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.948 16.620 -18.108 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.686 16.217 -20.038 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.096 15.485 -18.338 1.00 0.00 H new ATOM 569 N LEU A 36 -3.596 21.425 -18.575 1.00 0.00 N ATOM 570 CA LEU A 36 -3.859 21.337 -17.149 1.00 0.00 C ATOM 571 C LEU A 36 -5.292 21.793 -16.868 1.00 0.00 C ATOM 572 O LEU A 36 -5.987 21.199 -16.045 1.00 0.00 O ATOM 573 CB LEU A 36 -2.802 22.110 -16.359 1.00 0.00 C ATOM 574 CG LEU A 36 -2.246 21.412 -15.117 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.739 21.641 -14.987 1.00 0.00 C ATOM 576 CD2 LEU A 36 -3.002 21.845 -13.860 1.00 0.00 C ATOM 0 H LEU A 36 -2.794 22.004 -18.826 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.782 20.303 -16.812 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.971 22.335 -17.027 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.232 23.064 -16.053 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.400 20.339 -15.231 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.369 21.134 -14.096 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.233 21.243 -15.867 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.539 22.709 -14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.587 21.334 -12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.903 22.923 -13.729 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.056 21.588 -13.963 1.00 0.00 H new ATOM 588 N GLU A 37 -5.692 22.844 -17.570 1.00 0.00 N ATOM 589 CA GLU A 37 -7.029 23.387 -17.407 1.00 0.00 C ATOM 590 C GLU A 37 -8.039 22.561 -18.207 1.00 0.00 C ATOM 591 O GLU A 37 -9.239 22.617 -17.945 1.00 0.00 O ATOM 592 CB GLU A 37 -7.077 24.860 -17.819 1.00 0.00 C ATOM 593 CG GLU A 37 -8.187 25.602 -17.072 1.00 0.00 C ATOM 594 CD GLU A 37 -9.190 26.218 -18.051 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.902 27.336 -18.530 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.220 25.555 -18.298 1.00 0.00 O ATOM 0 H GLU A 37 -5.113 23.333 -18.253 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.297 23.330 -16.352 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.116 25.331 -17.611 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.243 24.936 -18.894 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.703 24.914 -16.402 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.752 26.385 -16.451 1.00 0.00 H new ATOM 603 N GLU A 38 -7.515 21.814 -19.168 1.00 0.00 N ATOM 604 CA GLU A 38 -8.354 20.978 -20.008 1.00 0.00 C ATOM 605 C GLU A 38 -8.557 19.607 -19.360 1.00 0.00 C ATOM 606 O GLU A 38 -9.275 18.763 -19.894 1.00 0.00 O ATOM 607 CB GLU A 38 -7.761 20.838 -21.412 1.00 0.00 C ATOM 608 CG GLU A 38 -8.346 21.887 -22.361 1.00 0.00 C ATOM 609 CD GLU A 38 -7.264 22.855 -22.843 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.514 22.458 -23.759 1.00 0.00 O ATOM 611 OE2 GLU A 38 -7.213 23.972 -22.283 1.00 0.00 O ATOM 0 H GLU A 38 -6.519 21.771 -19.383 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.327 21.459 -20.107 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.678 20.948 -21.366 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.964 19.839 -21.799 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.804 21.392 -23.218 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.135 22.442 -21.854 1.00 0.00 H new ATOM 618 N HIS A 39 -7.910 19.428 -18.217 1.00 0.00 N ATOM 619 CA HIS A 39 -8.010 18.173 -17.490 1.00 0.00 C ATOM 620 C HIS A 39 -9.163 18.252 -16.487 1.00 0.00 C ATOM 621 O HIS A 39 -9.270 19.218 -15.734 1.00 0.00 O ATOM 622 CB HIS A 39 -6.675 17.820 -16.832 1.00 0.00 C ATOM 623 CG HIS A 39 -6.646 16.449 -16.199 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.466 16.254 -14.841 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.778 15.209 -16.752 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.488 14.951 -14.599 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.682 14.306 -15.786 1.00 0.00 N ATOM 0 H HIS A 39 -7.315 20.130 -17.777 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.233 17.362 -18.184 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.885 17.880 -17.581 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.449 18.566 -16.070 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.934 14.998 -17.800 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.373 14.482 -13.633 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.743 13.295 -15.910 1.00 0.00 H new ATOM 635 N PRO A 40 -10.018 17.195 -16.513 1.00 0.00 N ATOM 636 CA PRO A 40 -11.159 17.135 -15.615 1.00 0.00 C ATOM 637 C PRO A 40 -10.719 16.790 -14.191 1.00 0.00 C ATOM 638 O PRO A 40 -11.514 16.868 -13.256 1.00 0.00 O ATOM 639 CB PRO A 40 -12.082 16.090 -16.221 1.00 0.00 C ATOM 640 CG PRO A 40 -11.221 15.275 -17.173 1.00 0.00 C ATOM 641 CD PRO A 40 -9.923 16.034 -17.392 1.00 0.00 C ATOM 0 HA PRO A 40 -11.671 18.093 -15.521 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.516 15.457 -15.447 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.911 16.561 -16.750 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.020 14.288 -16.756 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.738 15.122 -18.120 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.058 15.419 -17.143 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.811 16.334 -18.434 1.00 0.00 H new ATOM 649 N GLY A 41 -9.455 16.414 -14.071 1.00 0.00 N ATOM 650 CA GLY A 41 -8.900 16.057 -12.777 1.00 0.00 C ATOM 651 C GLY A 41 -8.956 17.240 -11.810 1.00 0.00 C ATOM 652 O GLY A 41 -9.860 17.327 -10.981 1.00 0.00 O ATOM 0 H GLY A 41 -8.799 16.349 -14.849 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.453 15.216 -12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.867 15.731 -12.898 1.00 0.00 H new ATOM 656 N GLY A 42 -7.979 18.124 -11.949 1.00 0.00 N ATOM 657 CA GLY A 42 -7.906 19.299 -11.098 1.00 0.00 C ATOM 658 C GLY A 42 -6.778 20.231 -11.545 1.00 0.00 C ATOM 659 O GLY A 42 -6.254 20.092 -12.650 1.00 0.00 O ATOM 0 H GLY A 42 -7.231 18.050 -12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.856 19.833 -11.126 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.742 18.994 -10.064 1.00 0.00 H new ATOM 663 N GLU A 43 -6.437 21.161 -10.665 1.00 0.00 N ATOM 664 CA GLU A 43 -5.381 22.116 -10.956 1.00 0.00 C ATOM 665 C GLU A 43 -4.289 22.040 -9.887 1.00 0.00 C ATOM 666 O GLU A 43 -3.219 22.626 -10.046 1.00 0.00 O ATOM 667 CB GLU A 43 -5.941 23.536 -11.068 1.00 0.00 C ATOM 668 CG GLU A 43 -4.871 24.575 -10.727 1.00 0.00 C ATOM 669 CD GLU A 43 -5.449 25.991 -10.770 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.523 26.147 -11.391 1.00 0.00 O ATOM 671 OE2 GLU A 43 -4.803 26.885 -10.182 1.00 0.00 O ATOM 0 H GLU A 43 -6.873 21.274 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.939 21.858 -11.919 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.310 23.707 -12.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.791 23.650 -10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.466 24.373 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.043 24.495 -11.432 1.00 0.00 H new ATOM 678 N GLU A 44 -4.596 21.314 -8.823 1.00 0.00 N ATOM 679 CA GLU A 44 -3.654 21.154 -7.728 1.00 0.00 C ATOM 680 C GLU A 44 -3.326 19.674 -7.522 1.00 0.00 C ATOM 681 O GLU A 44 -2.518 19.326 -6.662 1.00 0.00 O ATOM 682 CB GLU A 44 -4.195 21.780 -6.443 1.00 0.00 C ATOM 683 CG GLU A 44 -3.680 21.034 -5.210 1.00 0.00 C ATOM 684 CD GLU A 44 -4.143 21.718 -3.921 1.00 0.00 C ATOM 685 OE1 GLU A 44 -5.250 21.367 -3.459 1.00 0.00 O ATOM 686 OE2 GLU A 44 -3.379 22.576 -3.429 1.00 0.00 O ATOM 0 H GLU A 44 -5.484 20.829 -8.695 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.734 21.677 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.896 22.827 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.285 21.760 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.037 20.004 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.591 20.994 -5.234 1.00 0.00 H new ATOM 693 N VAL A 45 -3.972 18.839 -8.324 1.00 0.00 N ATOM 694 CA VAL A 45 -3.760 17.405 -8.240 1.00 0.00 C ATOM 695 C VAL A 45 -2.795 16.970 -9.345 1.00 0.00 C ATOM 696 O VAL A 45 -2.086 15.976 -9.200 1.00 0.00 O ATOM 697 CB VAL A 45 -5.103 16.674 -8.297 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.140 17.490 -9.070 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.941 15.278 -8.903 1.00 0.00 C ATOM 0 H VAL A 45 -4.643 19.130 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.302 17.142 -7.287 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.464 16.557 -7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.085 16.947 -9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.287 18.451 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.788 17.654 -10.089 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.910 14.779 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.547 15.364 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.251 14.695 -8.293 1.00 0.00 H new ATOM 709 N LEU A 46 -2.801 17.737 -10.426 1.00 0.00 N ATOM 710 CA LEU A 46 -1.935 17.443 -11.555 1.00 0.00 C ATOM 711 C LEU A 46 -0.521 17.943 -11.252 1.00 0.00 C ATOM 712 O LEU A 46 0.461 17.334 -11.677 1.00 0.00 O ATOM 713 CB LEU A 46 -2.525 18.016 -12.846 1.00 0.00 C ATOM 714 CG LEU A 46 -4.051 18.103 -12.904 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.519 18.626 -14.264 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.691 16.757 -12.557 1.00 0.00 C ATOM 0 H LEU A 46 -3.391 18.561 -10.544 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.867 16.367 -11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.118 19.016 -12.996 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.184 17.404 -13.681 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.381 18.820 -12.152 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.608 18.678 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.106 19.620 -14.433 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.177 17.952 -15.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.776 16.847 -12.606 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.357 16.001 -13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.396 16.463 -11.550 1.00 0.00 H new ATOM 728 N ARG A 47 -0.461 19.045 -10.519 1.00 0.00 N ATOM 729 CA ARG A 47 0.817 19.633 -10.154 1.00 0.00 C ATOM 730 C ARG A 47 1.305 19.056 -8.823 1.00 0.00 C ATOM 731 O ARG A 47 2.497 19.100 -8.524 1.00 0.00 O ATOM 732 CB ARG A 47 0.709 21.154 -10.033 1.00 0.00 C ATOM 733 CG ARG A 47 -0.572 21.556 -9.298 1.00 0.00 C ATOM 734 CD ARG A 47 -0.496 23.008 -8.822 1.00 0.00 C ATOM 735 NE ARG A 47 0.312 23.095 -7.585 1.00 0.00 N ATOM 736 CZ ARG A 47 0.469 24.215 -6.867 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.126 25.350 -7.258 1.00 0.00 N ATOM 738 NH2 ARG A 47 1.222 24.201 -5.759 1.00 0.00 N ATOM 0 H ARG A 47 -1.277 19.546 -10.168 1.00 0.00 H new ATOM 0 HA ARG A 47 1.530 19.393 -10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.576 21.542 -9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.719 21.603 -11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.430 21.430 -9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.728 20.897 -8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.054 23.631 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.499 23.392 -8.638 1.00 0.00 H new ATOM 0 HE ARG A 47 0.779 22.249 -7.259 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.698 25.361 -8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.007 26.203 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.676 23.337 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.341 25.054 -5.213 1.00 0.00 H new ATOM 752 N GLU A 48 0.358 18.529 -8.059 1.00 0.00 N ATOM 753 CA GLU A 48 0.677 17.945 -6.768 1.00 0.00 C ATOM 754 C GLU A 48 1.800 16.917 -6.913 1.00 0.00 C ATOM 755 O GLU A 48 2.577 16.705 -5.983 1.00 0.00 O ATOM 756 CB GLU A 48 -0.563 17.315 -6.130 1.00 0.00 C ATOM 757 CG GLU A 48 -0.846 17.929 -4.758 1.00 0.00 C ATOM 758 CD GLU A 48 0.342 17.732 -3.814 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.719 16.558 -3.615 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.845 18.761 -3.313 1.00 0.00 O ATOM 0 H GLU A 48 -0.630 18.495 -8.310 1.00 0.00 H new ATOM 0 HA GLU A 48 1.022 18.740 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.425 17.459 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.417 16.240 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.055 18.993 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.737 17.472 -4.328 1.00 0.00 H new ATOM 767 N GLN A 49 1.853 16.306 -8.088 1.00 0.00 N ATOM 768 CA GLN A 49 2.868 15.305 -8.367 1.00 0.00 C ATOM 769 C GLN A 49 3.939 15.881 -9.295 1.00 0.00 C ATOM 770 O GLN A 49 4.720 15.136 -9.886 1.00 0.00 O ATOM 771 CB GLN A 49 2.244 14.043 -8.966 1.00 0.00 C ATOM 772 CG GLN A 49 1.259 13.402 -7.987 1.00 0.00 C ATOM 773 CD GLN A 49 1.982 12.875 -6.747 1.00 0.00 C ATOM 774 OE1 GLN A 49 2.517 13.622 -5.944 1.00 0.00 O ATOM 775 NE2 GLN A 49 1.967 11.549 -6.634 1.00 0.00 N ATOM 0 H GLN A 49 1.209 16.485 -8.858 1.00 0.00 H new ATOM 0 HA GLN A 49 3.342 15.024 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.730 14.292 -9.894 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.028 13.329 -9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.508 14.134 -7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.731 12.585 -8.479 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.501 10.982 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.422 11.100 -5.839 1.00 0.00 H new ATOM 784 N ALA A 50 3.942 17.202 -9.396 1.00 0.00 N ATOM 785 CA ALA A 50 4.905 17.887 -10.243 1.00 0.00 C ATOM 786 C ALA A 50 6.240 17.994 -9.505 1.00 0.00 C ATOM 787 O ALA A 50 6.780 19.088 -9.347 1.00 0.00 O ATOM 788 CB ALA A 50 4.349 19.254 -10.646 1.00 0.00 C ATOM 0 H ALA A 50 3.293 17.817 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 50 5.080 17.324 -11.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.071 19.768 -11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.415 19.120 -11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.164 19.849 -9.752 1.00 0.00 H new ATOM 794 N GLY A 51 6.736 16.843 -9.073 1.00 0.00 N ATOM 795 CA GLY A 51 7.998 16.794 -8.355 1.00 0.00 C ATOM 796 C GLY A 51 8.474 15.350 -8.180 1.00 0.00 C ATOM 797 O GLY A 51 9.672 15.078 -8.222 1.00 0.00 O ATOM 0 H GLY A 51 6.286 15.937 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.751 17.366 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.883 17.264 -7.378 1.00 0.00 H new ATOM 801 N GLY A 52 7.509 14.463 -7.988 1.00 0.00 N ATOM 802 CA GLY A 52 7.813 13.054 -7.805 1.00 0.00 C ATOM 803 C GLY A 52 7.175 12.208 -8.908 1.00 0.00 C ATOM 804 O GLY A 52 7.359 12.484 -10.092 1.00 0.00 O ATOM 0 H GLY A 52 6.516 14.693 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.893 12.908 -7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.450 12.723 -6.832 1.00 0.00 H new ATOM 808 N ASP A 53 6.436 11.194 -8.480 1.00 0.00 N ATOM 809 CA ASP A 53 5.769 10.306 -9.416 1.00 0.00 C ATOM 810 C ASP A 53 4.259 10.548 -9.354 1.00 0.00 C ATOM 811 O ASP A 53 3.655 10.449 -8.287 1.00 0.00 O ATOM 812 CB ASP A 53 6.028 8.840 -9.065 1.00 0.00 C ATOM 813 CG ASP A 53 5.614 8.431 -7.650 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.561 9.336 -6.790 1.00 0.00 O ATOM 815 OD2 ASP A 53 5.359 7.222 -7.460 1.00 0.00 O ATOM 0 H ASP A 53 6.285 10.968 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 53 6.159 10.512 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.496 8.212 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.091 8.634 -9.190 1.00 0.00 H new ATOM 820 N ALA A 54 3.694 10.858 -10.511 1.00 0.00 N ATOM 821 CA ALA A 54 2.266 11.114 -10.602 1.00 0.00 C ATOM 822 C ALA A 54 1.543 9.818 -10.974 1.00 0.00 C ATOM 823 O ALA A 54 0.344 9.680 -10.731 1.00 0.00 O ATOM 824 CB ALA A 54 2.011 12.235 -11.610 1.00 0.00 C ATOM 0 H ALA A 54 4.199 10.938 -11.394 1.00 0.00 H new ATOM 0 HA ALA A 54 1.873 11.446 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.940 12.427 -11.678 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.522 13.141 -11.284 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.389 11.938 -12.588 1.00 0.00 H new ATOM 830 N THR A 55 2.302 8.901 -11.556 1.00 0.00 N ATOM 831 CA THR A 55 1.747 7.621 -11.965 1.00 0.00 C ATOM 832 C THR A 55 0.953 6.993 -10.818 1.00 0.00 C ATOM 833 O THR A 55 -0.170 6.533 -11.014 1.00 0.00 O ATOM 834 CB THR A 55 2.899 6.743 -12.457 1.00 0.00 C ATOM 835 OG1 THR A 55 2.372 5.420 -12.408 1.00 0.00 O ATOM 836 CG2 THR A 55 4.073 6.713 -11.477 1.00 0.00 C ATOM 0 H THR A 55 3.296 9.018 -11.754 1.00 0.00 H new ATOM 0 HA THR A 55 1.037 7.741 -12.783 1.00 0.00 H new ATOM 0 HB THR A 55 3.244 7.106 -13.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.053 4.785 -12.713 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.863 6.076 -11.875 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.457 7.724 -11.339 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.737 6.318 -10.518 1.00 0.00 H new ATOM 844 N GLU A 56 1.569 6.995 -9.644 1.00 0.00 N ATOM 845 CA GLU A 56 0.932 6.431 -8.465 1.00 0.00 C ATOM 846 C GLU A 56 -0.506 6.938 -8.344 1.00 0.00 C ATOM 847 O GLU A 56 -1.379 6.226 -7.852 1.00 0.00 O ATOM 848 CB GLU A 56 1.735 6.752 -7.203 1.00 0.00 C ATOM 849 CG GLU A 56 2.173 8.219 -7.189 1.00 0.00 C ATOM 850 CD GLU A 56 2.069 8.809 -5.781 1.00 0.00 C ATOM 851 OE1 GLU A 56 0.935 9.164 -5.397 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.128 8.892 -5.122 1.00 0.00 O ATOM 0 H GLU A 56 2.501 7.378 -9.484 1.00 0.00 H new ATOM 0 HA GLU A 56 0.905 5.347 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.132 6.541 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.612 6.107 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.200 8.299 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.551 8.794 -7.875 1.00 0.00 H new ATOM 859 N ASN A 57 -0.708 8.165 -8.801 1.00 0.00 N ATOM 860 CA ASN A 57 -2.025 8.776 -8.750 1.00 0.00 C ATOM 861 C ASN A 57 -2.685 8.670 -10.127 1.00 0.00 C ATOM 862 O ASN A 57 -3.856 8.311 -10.231 1.00 0.00 O ATOM 863 CB ASN A 57 -1.931 10.258 -8.383 1.00 0.00 C ATOM 864 CG ASN A 57 -2.163 10.467 -6.884 1.00 0.00 C ATOM 865 OD1 ASN A 57 -2.315 9.531 -6.117 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.183 11.744 -6.513 1.00 0.00 N ATOM 0 H ASN A 57 0.019 8.753 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.610 8.254 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.950 10.644 -8.660 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.668 10.825 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.332 11.988 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.049 12.479 -7.207 1.00 0.00 H new ATOM 873 N PHE A 58 -1.903 8.990 -11.148 1.00 0.00 N ATOM 874 CA PHE A 58 -2.397 8.936 -12.513 1.00 0.00 C ATOM 875 C PHE A 58 -2.885 7.529 -12.865 1.00 0.00 C ATOM 876 O PHE A 58 -3.903 7.371 -13.536 1.00 0.00 O ATOM 877 CB PHE A 58 -1.225 9.300 -13.428 1.00 0.00 C ATOM 878 CG PHE A 58 -1.445 8.935 -14.897 1.00 0.00 C ATOM 879 CD1 PHE A 58 -1.483 7.629 -15.274 1.00 0.00 C ATOM 880 CD2 PHE A 58 -1.602 9.916 -15.826 1.00 0.00 C ATOM 881 CE1 PHE A 58 -1.687 7.289 -16.637 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.806 9.576 -17.189 1.00 0.00 C ATOM 883 CZ PHE A 58 -1.845 8.271 -17.566 1.00 0.00 C ATOM 0 H PHE A 58 -0.932 9.287 -11.057 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.235 9.623 -12.632 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.039 10.372 -13.355 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.328 8.796 -13.070 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.358 6.850 -14.536 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.571 10.953 -15.527 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.717 6.252 -16.937 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.930 10.355 -17.927 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.001 8.013 -18.603 1.00 0.00 H new ATOM 893 N GLU A 59 -2.134 6.544 -12.397 1.00 0.00 N ATOM 894 CA GLU A 59 -2.476 5.155 -12.654 1.00 0.00 C ATOM 895 C GLU A 59 -3.562 4.688 -11.683 1.00 0.00 C ATOM 896 O GLU A 59 -4.242 3.694 -11.937 1.00 0.00 O ATOM 897 CB GLU A 59 -1.239 4.259 -12.564 1.00 0.00 C ATOM 898 CG GLU A 59 -0.849 3.723 -13.943 1.00 0.00 C ATOM 899 CD GLU A 59 -0.950 2.198 -13.987 1.00 0.00 C ATOM 900 OE1 GLU A 59 -1.888 1.672 -13.350 1.00 0.00 O ATOM 901 OE2 GLU A 59 -0.087 1.591 -14.659 1.00 0.00 O ATOM 0 H GLU A 59 -1.290 6.680 -11.841 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.865 5.079 -13.669 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.408 4.822 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.437 3.426 -11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.500 4.156 -14.703 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.169 4.031 -14.182 1.00 0.00 H new ATOM 908 N ASP A 60 -3.692 5.427 -10.590 1.00 0.00 N ATOM 909 CA ASP A 60 -4.684 5.101 -9.580 1.00 0.00 C ATOM 910 C ASP A 60 -6.084 5.312 -10.159 1.00 0.00 C ATOM 911 O ASP A 60 -6.908 4.399 -10.151 1.00 0.00 O ATOM 912 CB ASP A 60 -4.538 6.004 -8.353 1.00 0.00 C ATOM 913 CG ASP A 60 -5.837 6.275 -7.592 1.00 0.00 C ATOM 914 OD1 ASP A 60 -6.471 5.280 -7.178 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.167 7.471 -7.440 1.00 0.00 O ATOM 0 H ASP A 60 -3.127 6.250 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.535 4.063 -9.283 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.822 5.549 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.115 6.957 -8.670 1.00 0.00 H new ATOM 920 N VAL A 61 -6.311 6.524 -10.647 1.00 0.00 N ATOM 921 CA VAL A 61 -7.597 6.867 -11.229 1.00 0.00 C ATOM 922 C VAL A 61 -7.879 5.941 -12.414 1.00 0.00 C ATOM 923 O VAL A 61 -9.024 5.812 -12.846 1.00 0.00 O ATOM 924 CB VAL A 61 -7.620 8.349 -11.610 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.261 8.797 -12.151 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.734 8.639 -12.617 1.00 0.00 C ATOM 0 H VAL A 61 -5.626 7.280 -10.651 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.397 6.719 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.827 8.924 -10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.305 9.854 -12.414 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.497 8.644 -11.388 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.011 8.213 -13.037 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.728 9.699 -12.871 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.572 8.049 -13.519 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.697 8.376 -12.180 1.00 0.00 H new ATOM 936 N GLY A 62 -6.817 5.320 -12.905 1.00 0.00 N ATOM 937 CA GLY A 62 -6.937 4.410 -14.031 1.00 0.00 C ATOM 938 C GLY A 62 -7.303 5.165 -15.310 1.00 0.00 C ATOM 939 O GLY A 62 -8.460 5.164 -15.727 1.00 0.00 O ATOM 0 H GLY A 62 -5.869 5.429 -12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.997 3.878 -14.175 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.698 3.660 -13.817 1.00 0.00 H new ATOM 943 N HIS A 63 -6.294 5.792 -15.898 1.00 0.00 N ATOM 944 CA HIS A 63 -6.496 6.550 -17.122 1.00 0.00 C ATOM 945 C HIS A 63 -6.646 5.589 -18.302 1.00 0.00 C ATOM 946 O HIS A 63 -5.945 4.581 -18.381 1.00 0.00 O ATOM 947 CB HIS A 63 -5.370 7.566 -17.324 1.00 0.00 C ATOM 948 CG HIS A 63 -5.462 8.772 -16.421 1.00 0.00 C ATOM 949 ND1 HIS A 63 -4.773 8.867 -15.224 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.166 9.932 -16.552 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.059 10.036 -14.668 1.00 0.00 C ATOM 952 NE2 HIS A 63 -5.923 10.694 -15.493 1.00 0.00 N ATOM 0 H HIS A 63 -5.335 5.791 -15.550 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.418 7.127 -17.049 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.413 7.071 -17.156 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.378 7.900 -18.361 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.151 8.158 -14.836 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.813 10.188 -17.378 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.675 10.403 -13.727 1.00 0.00 H new ATOM 960 N SER A 64 -7.566 5.933 -19.192 1.00 0.00 N ATOM 961 CA SER A 64 -7.818 5.113 -20.365 1.00 0.00 C ATOM 962 C SER A 64 -6.515 4.889 -21.135 1.00 0.00 C ATOM 963 O SER A 64 -5.569 5.664 -21.001 1.00 0.00 O ATOM 964 CB SER A 64 -8.867 5.758 -21.272 1.00 0.00 C ATOM 965 OG SER A 64 -9.082 5.002 -22.461 1.00 0.00 O ATOM 0 H SER A 64 -8.146 6.769 -19.124 1.00 0.00 H new ATOM 0 HA SER A 64 -8.207 4.150 -20.033 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.807 5.854 -20.728 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.547 6.766 -21.536 1.00 0.00 H new ATOM 0 HG SER A 64 -9.760 5.446 -23.013 1.00 0.00 H new ATOM 971 N THR A 65 -6.508 3.825 -21.925 1.00 0.00 N ATOM 972 CA THR A 65 -5.337 3.489 -22.716 1.00 0.00 C ATOM 973 C THR A 65 -5.259 4.379 -23.959 1.00 0.00 C ATOM 974 O THR A 65 -4.177 4.609 -24.495 1.00 0.00 O ATOM 975 CB THR A 65 -5.399 1.995 -23.043 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.967 1.359 -21.844 1.00 0.00 O ATOM 977 CG2 THR A 65 -4.357 1.578 -24.082 1.00 0.00 C ATOM 0 H THR A 65 -7.295 3.185 -22.034 1.00 0.00 H new ATOM 0 HA THR A 65 -4.418 3.678 -22.161 1.00 0.00 H new ATOM 0 HB THR A 65 -6.395 1.745 -23.408 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.978 0.387 -21.967 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.445 0.509 -24.277 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.524 2.130 -25.007 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.358 1.797 -23.704 1.00 0.00 H new ATOM 985 N ASP A 66 -6.422 4.857 -24.378 1.00 0.00 N ATOM 986 CA ASP A 66 -6.499 5.717 -25.547 1.00 0.00 C ATOM 987 C ASP A 66 -6.233 7.164 -25.128 1.00 0.00 C ATOM 988 O ASP A 66 -6.388 8.085 -25.929 1.00 0.00 O ATOM 989 CB ASP A 66 -7.889 5.657 -26.184 1.00 0.00 C ATOM 990 CG ASP A 66 -8.487 4.253 -26.301 1.00 0.00 C ATOM 991 OD1 ASP A 66 -7.689 3.311 -26.494 1.00 0.00 O ATOM 992 OD2 ASP A 66 -9.728 4.155 -26.195 1.00 0.00 O ATOM 0 H ASP A 66 -7.318 4.665 -23.929 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.757 5.374 -26.268 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.568 6.277 -25.598 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.835 6.097 -27.180 1.00 0.00 H new ATOM 997 N VAL A 67 -5.837 7.320 -23.873 1.00 0.00 N ATOM 998 CA VAL A 67 -5.547 8.640 -23.338 1.00 0.00 C ATOM 999 C VAL A 67 -4.176 9.097 -23.837 1.00 0.00 C ATOM 1000 O VAL A 67 -3.914 10.295 -23.931 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.653 8.620 -21.812 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -4.290 8.352 -21.172 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -6.259 9.924 -21.287 1.00 0.00 C ATOM 0 H VAL A 67 -5.710 6.554 -23.211 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.279 9.366 -23.691 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.320 7.805 -21.533 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.393 8.343 -20.087 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.913 7.386 -21.509 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.591 9.136 -21.463 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.323 9.884 -20.200 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.629 10.763 -21.582 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.257 10.055 -21.705 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.336 8.120 -24.144 1.00 0.00 N ATOM 1014 CA ARG A 68 -1.998 8.407 -24.631 1.00 0.00 C ATOM 1015 C ARG A 68 -2.066 9.218 -25.927 1.00 0.00 C ATOM 1016 O ARG A 68 -1.119 9.919 -26.274 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.214 7.118 -24.885 1.00 0.00 C ATOM 1018 CG ARG A 68 0.172 7.421 -25.455 1.00 0.00 C ATOM 1019 CD ARG A 68 0.170 7.326 -26.982 1.00 0.00 C ATOM 1020 NE ARG A 68 0.478 5.940 -27.403 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.276 5.469 -28.641 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -0.235 6.268 -29.587 1.00 0.00 N ATOM 1023 NH2 ARG A 68 0.585 4.198 -28.932 1.00 0.00 N ATOM 0 H ARG A 68 -3.557 7.127 -24.065 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.484 8.985 -23.863 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.114 6.560 -23.954 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.766 6.484 -25.579 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.484 8.420 -25.150 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.899 6.720 -25.044 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.803 7.626 -27.372 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.906 8.014 -27.398 1.00 0.00 H new ATOM 0 HE ARG A 68 0.868 5.304 -26.707 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.470 7.235 -29.365 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.389 5.909 -30.529 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.974 3.590 -28.211 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.431 3.839 -29.874 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.198 9.094 -26.605 1.00 0.00 N ATOM 1038 CA GLU A 69 -3.403 9.806 -27.855 1.00 0.00 C ATOM 1039 C GLU A 69 -3.592 11.300 -27.588 1.00 0.00 C ATOM 1040 O GLU A 69 -3.389 12.124 -28.480 1.00 0.00 O ATOM 1041 CB GLU A 69 -4.594 9.231 -28.625 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.916 9.765 -28.070 1.00 0.00 C ATOM 1043 CD GLU A 69 -7.068 8.807 -28.380 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.971 8.122 -29.420 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.019 8.783 -27.569 1.00 0.00 O ATOM 0 H GLU A 69 -3.982 8.511 -26.312 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.516 9.676 -28.475 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.508 9.489 -29.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.582 8.143 -28.561 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.833 9.902 -26.992 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.126 10.744 -28.501 1.00 0.00 H new ATOM 1052 N LEU A 70 -3.980 11.605 -26.359 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.200 12.987 -25.965 1.00 0.00 C ATOM 1054 C LEU A 70 -2.847 13.679 -25.777 1.00 0.00 C ATOM 1055 O LEU A 70 -2.532 14.633 -26.487 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.102 13.055 -24.732 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.563 13.428 -24.990 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.731 14.946 -25.096 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.104 12.705 -26.224 1.00 0.00 C ATOM 0 H LEU A 70 -4.148 10.919 -25.623 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.730 13.528 -26.749 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.078 12.085 -24.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.680 13.781 -24.037 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.155 13.097 -24.137 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.779 15.184 -25.280 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.410 15.413 -24.165 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.124 15.323 -25.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.144 12.988 -26.385 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.513 12.983 -27.097 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.041 11.628 -26.071 1.00 0.00 H new ATOM 1071 N SER A 71 -2.087 13.172 -24.818 1.00 0.00 N ATOM 1072 CA SER A 71 -0.778 13.731 -24.528 1.00 0.00 C ATOM 1073 C SER A 71 0.220 13.316 -25.612 1.00 0.00 C ATOM 1074 O SER A 71 0.923 12.317 -25.465 1.00 0.00 O ATOM 1075 CB SER A 71 -0.281 13.284 -23.151 1.00 0.00 C ATOM 1076 OG SER A 71 -0.243 11.864 -23.032 1.00 0.00 O ATOM 0 H SER A 71 -2.353 12.380 -24.232 1.00 0.00 H new ATOM 0 HA SER A 71 -0.865 14.818 -24.519 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.716 13.689 -22.976 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.932 13.695 -22.380 1.00 0.00 H new ATOM 0 HG SER A 71 0.116 11.476 -23.857 1.00 0.00 H new ATOM 1082 N LYS A 72 0.249 14.103 -26.677 1.00 0.00 N ATOM 1083 CA LYS A 72 1.148 13.831 -27.785 1.00 0.00 C ATOM 1084 C LYS A 72 1.960 15.089 -28.099 1.00 0.00 C ATOM 1085 O LYS A 72 3.166 15.013 -28.327 1.00 0.00 O ATOM 1086 CB LYS A 72 0.370 13.286 -28.984 1.00 0.00 C ATOM 1087 CG LYS A 72 0.567 11.774 -29.124 1.00 0.00 C ATOM 1088 CD LYS A 72 1.296 11.434 -30.426 1.00 0.00 C ATOM 1089 CE LYS A 72 1.560 9.931 -30.529 1.00 0.00 C ATOM 1090 NZ LYS A 72 2.861 9.678 -31.189 1.00 0.00 N ATOM 0 H LYS A 72 -0.336 14.930 -26.796 1.00 0.00 H new ATOM 0 HA LYS A 72 1.860 13.051 -27.515 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.690 13.509 -28.866 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.701 13.785 -29.895 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.137 11.398 -28.275 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.401 11.274 -29.104 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.699 11.761 -31.277 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.240 11.977 -30.471 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.558 9.486 -29.534 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.760 9.453 -31.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.025 8.653 -31.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.850 10.086 -32.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.623 10.118 -30.634 1.00 0.00 H new ATOM 1104 N THR A 73 1.265 16.217 -28.101 1.00 0.00 N ATOM 1105 CA THR A 73 1.906 17.490 -28.384 1.00 0.00 C ATOM 1106 C THR A 73 2.400 18.137 -27.088 1.00 0.00 C ATOM 1107 O THR A 73 3.267 19.009 -27.117 1.00 0.00 O ATOM 1108 CB THR A 73 0.913 18.359 -29.157 1.00 0.00 C ATOM 1109 OG1 THR A 73 0.915 17.806 -30.469 1.00 0.00 O ATOM 1110 CG2 THR A 73 1.416 19.791 -29.354 1.00 0.00 C ATOM 0 H THR A 73 0.265 16.276 -27.911 1.00 0.00 H new ATOM 0 HA THR A 73 2.793 17.357 -29.003 1.00 0.00 H new ATOM 0 HB THR A 73 -0.039 18.379 -28.627 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.295 18.310 -31.037 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.673 20.365 -29.908 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.582 20.255 -28.382 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.352 19.774 -29.912 1.00 0.00 H new ATOM 1118 N TYR A 74 1.827 17.685 -25.983 1.00 0.00 N ATOM 1119 CA TYR A 74 2.199 18.210 -24.679 1.00 0.00 C ATOM 1120 C TYR A 74 3.417 17.473 -24.118 1.00 0.00 C ATOM 1121 O TYR A 74 4.269 18.080 -23.471 1.00 0.00 O ATOM 1122 CB TYR A 74 0.998 17.955 -23.765 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.329 18.472 -24.322 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.379 19.692 -24.964 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.477 17.717 -24.182 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.629 20.179 -25.488 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.726 18.205 -24.706 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.741 19.411 -25.333 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.922 19.870 -25.829 1.00 0.00 O ATOM 0 H TYR A 74 1.108 16.962 -25.963 1.00 0.00 H new ATOM 0 HA TYR A 74 2.455 19.267 -24.749 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.912 16.883 -23.586 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.183 18.426 -22.799 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.519 20.282 -25.074 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.438 16.762 -23.680 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.682 21.132 -25.993 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.631 17.625 -24.603 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.629 19.217 -25.646 1.00 0.00 H new ATOM 1139 N ILE A 75 3.461 16.177 -24.387 1.00 0.00 N ATOM 1140 CA ILE A 75 4.561 15.352 -23.919 1.00 0.00 C ATOM 1141 C ILE A 75 5.869 16.136 -24.042 1.00 0.00 C ATOM 1142 O ILE A 75 6.071 16.866 -25.011 1.00 0.00 O ATOM 1143 CB ILE A 75 4.576 14.010 -24.655 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.279 14.199 -26.144 1.00 0.00 C ATOM 1145 CG2 ILE A 75 3.617 13.015 -23.999 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.432 13.678 -27.003 1.00 0.00 C ATOM 0 H ILE A 75 2.752 15.677 -24.924 1.00 0.00 H new ATOM 0 HA ILE A 75 4.433 15.109 -22.864 1.00 0.00 H new ATOM 0 HB ILE A 75 5.578 13.588 -24.578 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.360 13.674 -26.405 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.113 15.256 -26.354 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.647 12.070 -24.541 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.916 12.849 -22.964 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.604 13.416 -24.024 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.195 13.824 -28.057 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.344 14.222 -26.757 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.580 12.616 -26.808 1.00 0.00 H new ATOM 1158 N ILE A 76 6.724 15.959 -23.045 1.00 0.00 N ATOM 1159 CA ILE A 76 8.007 16.640 -23.028 1.00 0.00 C ATOM 1160 C ILE A 76 9.108 15.654 -23.424 1.00 0.00 C ATOM 1161 O ILE A 76 10.010 15.999 -24.186 1.00 0.00 O ATOM 1162 CB ILE A 76 8.240 17.311 -21.673 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.324 16.580 -20.879 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.933 17.428 -20.887 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.881 17.469 -19.765 1.00 0.00 C ATOM 0 H ILE A 76 6.553 15.353 -22.243 1.00 0.00 H new ATOM 0 HA ILE A 76 8.021 17.445 -23.762 1.00 0.00 H new ATOM 0 HB ILE A 76 8.600 18.324 -21.851 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.912 15.667 -20.449 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.131 16.281 -21.548 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.127 17.908 -19.928 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.219 18.025 -21.454 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.520 16.434 -20.718 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.650 16.925 -19.216 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.314 18.369 -20.200 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.076 17.746 -19.084 1.00 0.00 H new ATOM 1177 N GLY A 77 8.998 14.447 -22.889 1.00 0.00 N ATOM 1178 CA GLY A 77 9.973 13.409 -23.177 1.00 0.00 C ATOM 1179 C GLY A 77 10.084 12.423 -22.013 1.00 0.00 C ATOM 1180 O GLY A 77 9.123 11.728 -21.690 1.00 0.00 O ATOM 0 H GLY A 77 8.248 14.165 -22.258 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.685 12.876 -24.083 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.946 13.862 -23.369 1.00 0.00 H new ATOM 1184 N GLU A 78 11.265 12.395 -21.415 1.00 0.00 N ATOM 1185 CA GLU A 78 11.515 11.506 -20.292 1.00 0.00 C ATOM 1186 C GLU A 78 12.732 11.983 -19.498 1.00 0.00 C ATOM 1187 O GLU A 78 13.835 12.068 -20.037 1.00 0.00 O ATOM 1188 CB GLU A 78 11.700 10.063 -20.767 1.00 0.00 C ATOM 1189 CG GLU A 78 12.842 9.962 -21.780 1.00 0.00 C ATOM 1190 CD GLU A 78 12.570 8.858 -22.805 1.00 0.00 C ATOM 1191 OE1 GLU A 78 11.477 8.905 -23.412 1.00 0.00 O ATOM 1192 OE2 GLU A 78 13.459 7.993 -22.957 1.00 0.00 O ATOM 0 H GLU A 78 12.060 12.973 -21.686 1.00 0.00 H new ATOM 0 HA GLU A 78 10.646 11.529 -19.634 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.909 9.419 -19.913 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.775 9.704 -21.219 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.964 10.916 -22.292 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.778 9.757 -21.259 1.00 0.00 H new ATOM 1199 N LEU A 79 12.492 12.279 -18.229 1.00 0.00 N ATOM 1200 CA LEU A 79 13.555 12.745 -17.355 1.00 0.00 C ATOM 1201 C LEU A 79 14.710 11.741 -17.385 1.00 0.00 C ATOM 1202 O LEU A 79 14.521 10.582 -17.750 1.00 0.00 O ATOM 1203 CB LEU A 79 13.014 13.017 -15.950 1.00 0.00 C ATOM 1204 CG LEU A 79 13.085 11.849 -14.965 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.766 10.524 -15.662 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.440 11.811 -14.256 1.00 0.00 C ATOM 0 H LEU A 79 11.577 12.205 -17.785 1.00 0.00 H new ATOM 0 HA LEU A 79 13.949 13.697 -17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.565 13.857 -15.527 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.973 13.330 -16.037 1.00 0.00 H new ATOM 0 HG LEU A 79 12.325 12.002 -14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.823 9.710 -14.940 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.761 10.566 -16.082 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.486 10.351 -16.462 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.464 10.971 -13.561 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.234 11.694 -14.994 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.589 12.741 -13.707 1.00 0.00 H new ATOM 1218 N HIS A 80 15.881 12.224 -16.997 1.00 0.00 N ATOM 1219 CA HIS A 80 17.067 11.384 -16.975 1.00 0.00 C ATOM 1220 C HIS A 80 16.680 9.962 -16.564 1.00 0.00 C ATOM 1221 O HIS A 80 15.861 9.772 -15.666 1.00 0.00 O ATOM 1222 CB HIS A 80 18.145 11.989 -16.073 1.00 0.00 C ATOM 1223 CG HIS A 80 19.556 11.694 -16.520 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.376 10.790 -15.867 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.284 12.191 -17.561 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.542 10.754 -16.495 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.483 11.623 -17.545 1.00 0.00 N ATOM 0 H HIS A 80 16.034 13.186 -16.695 1.00 0.00 H new ATOM 0 HA HIS A 80 17.499 11.332 -17.974 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.006 13.069 -16.033 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.010 11.612 -15.059 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.942 12.923 -18.277 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.391 10.144 -16.223 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.236 11.806 -18.208 1.00 0.00 H new ATOM 1235 N PRO A 81 17.305 8.974 -17.259 1.00 0.00 N ATOM 1236 CA PRO A 81 17.034 7.574 -16.976 1.00 0.00 C ATOM 1237 C PRO A 81 17.713 7.136 -15.677 1.00 0.00 C ATOM 1238 O PRO A 81 17.277 6.183 -15.035 1.00 0.00 O ATOM 1239 CB PRO A 81 17.541 6.821 -18.196 1.00 0.00 C ATOM 1240 CG PRO A 81 18.492 7.771 -18.906 1.00 0.00 C ATOM 1241 CD PRO A 81 18.279 9.161 -18.330 1.00 0.00 C ATOM 0 HA PRO A 81 15.975 7.374 -16.814 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.051 5.903 -17.904 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.716 6.534 -18.848 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.525 7.453 -18.764 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.302 7.769 -19.979 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.211 9.579 -17.949 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.907 9.851 -19.088 1.00 0.00 H new ATOM 1249 N ASP A 82 18.771 7.855 -15.329 1.00 0.00 N ATOM 1250 CA ASP A 82 19.515 7.553 -14.118 1.00 0.00 C ATOM 1251 C ASP A 82 18.787 8.153 -12.914 1.00 0.00 C ATOM 1252 O ASP A 82 19.045 7.771 -11.774 1.00 0.00 O ATOM 1253 CB ASP A 82 20.920 8.154 -14.170 1.00 0.00 C ATOM 1254 CG ASP A 82 22.036 7.239 -13.664 1.00 0.00 C ATOM 1255 OD1 ASP A 82 22.128 7.087 -12.426 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.772 6.712 -14.525 1.00 0.00 O ATOM 0 H ASP A 82 19.130 8.645 -15.865 1.00 0.00 H new ATOM 0 HA ASP A 82 19.590 6.469 -14.030 1.00 0.00 H new ATOM 0 HB2 ASP A 82 21.140 8.435 -15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.928 9.071 -13.581 1.00 0.00 H new ATOM 1261 N ASP A 83 17.892 9.084 -13.208 1.00 0.00 N ATOM 1262 CA ASP A 83 17.125 9.742 -12.164 1.00 0.00 C ATOM 1263 C ASP A 83 15.841 8.951 -11.905 1.00 0.00 C ATOM 1264 O ASP A 83 15.458 8.741 -10.755 1.00 0.00 O ATOM 1265 CB ASP A 83 16.730 11.160 -12.581 1.00 0.00 C ATOM 1266 CG ASP A 83 17.696 12.259 -12.130 1.00 0.00 C ATOM 1267 OD1 ASP A 83 18.809 12.303 -12.698 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.300 13.029 -11.228 1.00 0.00 O ATOM 0 H ASP A 83 17.681 9.399 -14.155 1.00 0.00 H new ATOM 0 HA ASP A 83 17.745 9.789 -11.269 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.647 11.193 -13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.741 11.379 -12.179 1.00 0.00 H new ATOM 1273 N ARG A 84 15.211 8.534 -12.994 1.00 0.00 N ATOM 1274 CA ARG A 84 13.979 7.771 -12.900 1.00 0.00 C ATOM 1275 C ARG A 84 14.213 6.478 -12.117 1.00 0.00 C ATOM 1276 O ARG A 84 13.277 5.907 -11.559 1.00 0.00 O ATOM 1277 CB ARG A 84 13.436 7.427 -14.288 1.00 0.00 C ATOM 1278 CG ARG A 84 14.494 6.709 -15.128 1.00 0.00 C ATOM 1279 CD ARG A 84 14.444 5.198 -14.899 1.00 0.00 C ATOM 1280 NE ARG A 84 13.380 4.595 -15.733 1.00 0.00 N ATOM 1281 CZ ARG A 84 12.809 3.408 -15.481 1.00 0.00 C ATOM 1282 NH1 ARG A 84 13.199 2.690 -14.419 1.00 0.00 N ATOM 1283 NH2 ARG A 84 11.851 2.940 -16.293 1.00 0.00 N ATOM 0 H ARG A 84 15.532 8.711 -13.946 1.00 0.00 H new ATOM 0 HA ARG A 84 13.247 8.388 -12.379 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.553 6.795 -14.191 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.121 8.339 -14.795 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.333 6.926 -16.184 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.484 7.086 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.408 4.752 -15.146 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.256 4.987 -13.846 1.00 0.00 H new ATOM 0 HE ARG A 84 13.061 5.115 -16.551 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.930 3.046 -13.803 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.765 1.787 -14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.556 3.487 -17.102 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.416 2.037 -16.102 1.00 0.00 H new ATOM 1297 N SER A 85 15.468 6.055 -12.099 1.00 0.00 N ATOM 1298 CA SER A 85 15.838 4.839 -11.393 1.00 0.00 C ATOM 1299 C SER A 85 16.374 5.185 -10.003 1.00 0.00 C ATOM 1300 O SER A 85 16.591 4.297 -9.178 1.00 0.00 O ATOM 1301 CB SER A 85 16.879 4.041 -12.180 1.00 0.00 C ATOM 1302 OG SER A 85 16.384 2.764 -12.576 1.00 0.00 O ATOM 0 H SER A 85 16.242 6.532 -12.562 1.00 0.00 H new ATOM 0 HA SER A 85 14.948 4.219 -11.288 1.00 0.00 H new ATOM 0 HB2 SER A 85 17.176 4.605 -13.064 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.773 3.910 -11.570 1.00 0.00 H new ATOM 0 HG SER A 85 17.077 2.286 -13.077 1.00 0.00 H new ATOM 1308 N LYS A 86 16.574 6.476 -9.784 1.00 0.00 N ATOM 1309 CA LYS A 86 17.080 6.949 -8.507 1.00 0.00 C ATOM 1310 C LYS A 86 15.924 7.051 -7.510 1.00 0.00 C ATOM 1311 O LYS A 86 16.112 6.841 -6.313 1.00 0.00 O ATOM 1312 CB LYS A 86 17.851 8.258 -8.689 1.00 0.00 C ATOM 1313 CG LYS A 86 19.361 8.006 -8.712 1.00 0.00 C ATOM 1314 CD LYS A 86 20.113 9.232 -9.233 1.00 0.00 C ATOM 1315 CE LYS A 86 21.607 9.132 -8.920 1.00 0.00 C ATOM 1316 NZ LYS A 86 22.371 10.120 -9.715 1.00 0.00 N ATOM 0 H LYS A 86 16.395 7.209 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 86 17.795 6.238 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.545 8.739 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.605 8.945 -7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.708 7.762 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 86 19.580 7.145 -9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.968 9.321 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.702 10.135 -8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.774 9.305 -7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.964 8.126 -9.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 23.383 10.038 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.226 9.937 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 22.042 11.079 -9.486 1.00 0.00 H new ATOM 1330 N ILE A 87 14.753 7.371 -8.041 1.00 0.00 N ATOM 1331 CA ILE A 87 13.566 7.503 -7.212 1.00 0.00 C ATOM 1332 C ILE A 87 13.155 6.122 -6.696 1.00 0.00 C ATOM 1333 O ILE A 87 12.245 6.008 -5.877 1.00 0.00 O ATOM 1334 CB ILE A 87 12.458 8.229 -7.977 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.698 9.739 -7.987 1.00 0.00 C ATOM 1336 CG2 ILE A 87 11.080 7.871 -7.416 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.843 10.424 -9.056 1.00 0.00 C ATOM 0 H ILE A 87 14.600 7.543 -9.035 1.00 0.00 H new ATOM 0 HA ILE A 87 13.776 8.121 -6.339 1.00 0.00 H new ATOM 0 HB ILE A 87 12.481 7.893 -9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 87 12.463 10.155 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.752 9.942 -8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.310 8.400 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.919 6.797 -7.504 1.00 0.00 H new ATOM 0 HG23 ILE A 87 11.028 8.161 -6.367 1.00 0.00 H new ATOM 0 HD11 ILE A 87 12.033 11.497 -9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.098 10.024 -10.037 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.788 10.240 -8.852 1.00 0.00 H new ATOM 1349 N ALA A 88 13.845 5.109 -7.197 1.00 0.00 N ATOM 1350 CA ALA A 88 13.563 3.741 -6.796 1.00 0.00 C ATOM 1351 C ALA A 88 13.800 3.595 -5.292 1.00 0.00 C ATOM 1352 O ALA A 88 14.828 3.068 -4.870 1.00 0.00 O ATOM 1353 CB ALA A 88 14.425 2.780 -7.618 1.00 0.00 C ATOM 0 H ALA A 88 14.599 5.208 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 88 12.520 3.492 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.214 1.754 -7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.197 2.902 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.479 2.999 -7.446 1.00 0.00 H new