USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 17 THR OG1 : rot -103:sc= 0.331! USER MOD Set 1.2: A 20 SER OG : rot -170:sc= 1.04 USER MOD Single : A 12 CYS SG : rot 60:sc= -2.17 USER MOD Single : A 13 HIS :FLIP no HE2:sc= 0.269 F(o=-1,f=0.27) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.51 X(o=-0.51,f=-0.16) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 41:sc= 1.07 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 150:sc= -0.65 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.2 F(o=-1.4,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.993) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 62:sc= -0.377 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.0897 X(o=0.09,f=-0.38) USER MOD Single : A 65 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.022) USER MOD Single : A 67 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.565 USER MOD Single : A 84 TYR OH : rot 30:sc= -1.09 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0378 X(o=-0.038,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -4.556 -15.799 -2.628 1.00 0.00 N ATOM 97 CA ILE A 10 -3.503 -14.810 -2.784 1.00 0.00 C ATOM 98 C ILE A 10 -3.754 -13.648 -1.821 1.00 0.00 C ATOM 99 O ILE A 10 -4.887 -13.416 -1.405 1.00 0.00 O ATOM 100 CB ILE A 10 -3.384 -14.382 -4.248 1.00 0.00 C ATOM 101 CG1 ILE A 10 -1.969 -13.890 -4.562 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.445 -13.338 -4.602 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.687 -13.955 -6.064 1.00 0.00 C ATOM 0 HA ILE A 10 -2.535 -15.238 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.569 -15.254 -4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.850 -12.865 -4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.241 -14.498 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.338 -13.051 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.438 -13.759 -4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.316 -12.459 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.675 -13.600 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.783 -14.985 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.401 -13.327 -6.596 1.00 0.00 H new ATOM 115 N PHE A 11 -2.676 -12.949 -1.496 1.00 0.00 N ATOM 116 CA PHE A 11 -2.765 -11.816 -0.590 1.00 0.00 C ATOM 117 C PHE A 11 -2.100 -10.577 -1.194 1.00 0.00 C ATOM 118 O PHE A 11 -1.328 -10.685 -2.145 1.00 0.00 O ATOM 119 CB PHE A 11 -2.022 -12.207 0.689 1.00 0.00 C ATOM 120 CG PHE A 11 -2.935 -12.705 1.811 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.262 -14.023 1.887 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.420 -11.830 2.733 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.109 -14.486 2.929 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.267 -12.293 3.774 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.594 -13.611 3.850 1.00 0.00 C ATOM 0 H PHE A 11 -1.737 -13.145 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.810 -11.576 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.297 -12.985 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.459 -11.345 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.878 -14.718 1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.161 -10.783 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.368 -15.533 2.990 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.652 -11.598 4.506 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.239 -13.963 4.642 1.00 0.00 H new ATOM 135 N CYS A 12 -2.425 -9.430 -0.616 1.00 0.00 N ATOM 136 CA CYS A 12 -1.868 -8.172 -1.085 1.00 0.00 C ATOM 137 C CYS A 12 -1.228 -7.456 0.106 1.00 0.00 C ATOM 138 O CYS A 12 -1.930 -6.922 0.964 1.00 0.00 O ATOM 139 CB CYS A 12 -2.927 -7.306 -1.770 1.00 0.00 C ATOM 140 SG CYS A 12 -2.178 -5.736 -2.340 1.00 0.00 S ATOM 0 H CYS A 12 -3.067 -9.345 0.172 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.108 -8.367 -1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.356 -7.843 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.743 -7.099 -1.078 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.222 -5.992 -3.183 1.00 0.00 H new ATOM 146 N HIS A 13 0.097 -7.468 0.121 1.00 0.00 N ATOM 147 CA HIS A 13 0.839 -6.827 1.192 1.00 0.00 C ATOM 148 C HIS A 13 0.996 -5.336 0.887 1.00 0.00 C ATOM 149 O HIS A 13 1.612 -4.964 -0.111 1.00 0.00 O ATOM 150 CB HIS A 13 2.179 -7.529 1.421 1.00 0.00 C ATOM 151 CG HIS A 13 2.052 -8.933 1.963 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.699 -9.381 3.202 1.00 0.00 N flip ATOM 153 CD2 HIS A 13 2.303 -10.058 1.197 1.00 0.00 C flip ATOM 154 CE1 HIS A 13 1.731 -10.708 3.193 1.00 0.00 C flip ATOM 155 NE2 HIS A 13 2.106 -11.129 1.951 1.00 0.00 N flip ATOM 0 H HIS A 13 0.676 -7.912 -0.592 1.00 0.00 H new ATOM 0 HA HIS A 13 0.284 -6.915 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.726 -7.562 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.775 -6.935 2.114 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.452 -8.796 4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.608 -10.062 0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.498 -11.349 4.031 1.00 0.00 H new ATOM 163 N VAL A 14 0.428 -4.522 1.764 1.00 0.00 N ATOM 164 CA VAL A 14 0.497 -3.080 1.601 1.00 0.00 C ATOM 165 C VAL A 14 1.271 -2.474 2.774 1.00 0.00 C ATOM 166 O VAL A 14 0.718 -2.286 3.856 1.00 0.00 O ATOM 167 CB VAL A 14 -0.912 -2.502 1.453 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.887 -0.973 1.510 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.573 -2.991 0.163 1.00 0.00 C ATOM 0 H VAL A 14 -0.082 -4.834 2.590 1.00 0.00 H new ATOM 0 HA VAL A 14 1.037 -2.825 0.689 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.509 -2.859 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.901 -0.588 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.477 -0.651 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.265 -0.589 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.573 -2.565 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.976 -2.678 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.642 -4.079 0.179 1.00 0.00 H new ATOM 179 N TYR A 15 2.538 -2.186 2.518 1.00 0.00 N ATOM 180 CA TYR A 15 3.394 -1.605 3.539 1.00 0.00 C ATOM 181 C TYR A 15 3.088 -0.119 3.731 1.00 0.00 C ATOM 182 O TYR A 15 2.976 0.626 2.759 1.00 0.00 O ATOM 183 CB TYR A 15 4.827 -1.757 3.025 1.00 0.00 C ATOM 184 CG TYR A 15 5.433 -3.140 3.269 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.684 -4.274 3.026 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.728 -3.255 3.731 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.254 -5.576 3.256 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.298 -4.557 3.960 1.00 0.00 C ATOM 189 CZ TYR A 15 6.533 -5.654 3.711 1.00 0.00 C ATOM 190 OH TYR A 15 7.071 -6.884 3.928 1.00 0.00 O ATOM 0 H TYR A 15 2.993 -2.344 1.619 1.00 0.00 H new ATOM 0 HA TYR A 15 3.239 -2.101 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.842 -1.549 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.455 -1.007 3.505 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.671 -4.184 2.663 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.314 -2.368 3.921 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.678 -6.471 3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.310 -4.661 4.321 1.00 0.00 H new ATOM 0 HH TYR A 15 7.991 -6.786 4.251 1.00 0.00 H new ATOM 200 N ILE A 16 2.962 0.269 4.992 1.00 0.00 N ATOM 201 CA ILE A 16 2.672 1.654 5.324 1.00 0.00 C ATOM 202 C ILE A 16 3.984 2.400 5.572 1.00 0.00 C ATOM 203 O ILE A 16 4.313 3.341 4.850 1.00 0.00 O ATOM 204 CB ILE A 16 1.690 1.729 6.495 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.308 1.215 6.086 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.628 3.147 7.067 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.416 0.199 4.947 1.00 0.00 C ATOM 0 H ILE A 16 3.055 -0.352 5.796 1.00 0.00 H new ATOM 0 HA ILE A 16 2.176 2.151 4.490 1.00 0.00 H new ATOM 0 HB ILE A 16 2.054 1.076 7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.181 0.754 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.317 2.051 5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.923 3.174 7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.617 3.440 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.300 3.838 6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.580 -0.150 4.676 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.883 0.670 4.082 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.022 -0.647 5.271 1.00 0.00 H new ATOM 219 N THR A 17 4.698 1.953 6.594 1.00 0.00 N ATOM 220 CA THR A 17 5.967 2.567 6.947 1.00 0.00 C ATOM 221 C THR A 17 7.130 1.677 6.507 1.00 0.00 C ATOM 222 O THR A 17 7.140 1.170 5.387 1.00 0.00 O ATOM 223 CB THR A 17 5.953 2.852 8.450 1.00 0.00 C ATOM 224 OG1 THR A 17 6.227 1.587 9.045 1.00 0.00 O ATOM 225 CG2 THR A 17 4.558 3.212 8.965 1.00 0.00 C ATOM 0 H THR A 17 4.422 1.172 7.190 1.00 0.00 H new ATOM 0 HA THR A 17 6.108 3.513 6.425 1.00 0.00 H new ATOM 0 HB THR A 17 6.643 3.667 8.672 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.397 1.207 9.401 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.604 3.405 10.037 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.199 4.104 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.875 2.384 8.774 1.00 0.00 H new ATOM 233 N GLU A 18 8.083 1.513 7.413 1.00 0.00 N ATOM 234 CA GLU A 18 9.249 0.692 7.134 1.00 0.00 C ATOM 235 C GLU A 18 9.072 -0.704 7.735 1.00 0.00 C ATOM 236 O GLU A 18 9.682 -1.666 7.270 1.00 0.00 O ATOM 237 CB GLU A 18 10.525 1.356 7.655 1.00 0.00 C ATOM 238 CG GLU A 18 11.769 0.708 7.044 1.00 0.00 C ATOM 239 CD GLU A 18 12.403 1.622 5.994 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.910 1.595 4.846 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.367 2.328 6.363 1.00 0.00 O ATOM 0 H GLU A 18 8.071 1.935 8.341 1.00 0.00 H new ATOM 0 HA GLU A 18 9.347 0.591 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.510 2.419 7.416 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.564 1.274 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.494 0.492 7.829 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.500 -0.245 6.588 1.00 0.00 H new ATOM 248 N HIS A 19 8.235 -0.770 8.759 1.00 0.00 N ATOM 249 CA HIS A 19 7.970 -2.032 9.429 1.00 0.00 C ATOM 250 C HIS A 19 6.469 -2.168 9.692 1.00 0.00 C ATOM 251 O HIS A 19 6.061 -2.654 10.746 1.00 0.00 O ATOM 252 CB HIS A 19 8.809 -2.159 10.702 1.00 0.00 C ATOM 253 CG HIS A 19 10.255 -1.759 10.527 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.241 -2.657 10.159 1.00 0.00 N ATOM 255 CD2 HIS A 19 10.869 -0.550 10.671 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.394 -2.007 10.090 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.161 -0.701 10.408 1.00 0.00 N ATOM 0 H HIS A 19 7.731 0.030 9.142 1.00 0.00 H new ATOM 0 HA HIS A 19 8.267 -2.859 8.784 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.364 -1.541 11.482 1.00 0.00 H new ATOM 0 HB3 HIS A 19 8.768 -3.191 11.051 1.00 0.00 H new ATOM 0 HD2 HIS A 19 10.386 0.374 10.952 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.350 -2.436 9.828 1.00 0.00 H new ATOM 0 HE2 HIS A 19 12.864 0.038 10.439 1.00 0.00 H new ATOM 265 N SER A 20 5.687 -1.731 8.716 1.00 0.00 N ATOM 266 CA SER A 20 4.240 -1.797 8.829 1.00 0.00 C ATOM 267 C SER A 20 3.629 -2.211 7.489 1.00 0.00 C ATOM 268 O SER A 20 4.036 -1.717 6.439 1.00 0.00 O ATOM 269 CB SER A 20 3.661 -0.457 9.286 1.00 0.00 C ATOM 270 OG SER A 20 4.563 0.256 10.128 1.00 0.00 O ATOM 0 H SER A 20 6.028 -1.330 7.843 1.00 0.00 H new ATOM 0 HA SER A 20 3.990 -2.545 9.581 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.422 0.151 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.726 -0.629 9.820 1.00 0.00 H new ATOM 0 HG SER A 20 4.102 1.025 10.524 1.00 0.00 H new ATOM 276 N TYR A 21 2.662 -3.112 7.569 1.00 0.00 N ATOM 277 CA TYR A 21 1.990 -3.597 6.375 1.00 0.00 C ATOM 278 C TYR A 21 0.638 -4.224 6.722 1.00 0.00 C ATOM 279 O TYR A 21 0.304 -4.376 7.896 1.00 0.00 O ATOM 280 CB TYR A 21 2.903 -4.676 5.787 1.00 0.00 C ATOM 281 CG TYR A 21 2.718 -6.058 6.416 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.418 -6.396 7.556 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.852 -6.967 5.843 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.244 -7.697 8.149 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.678 -8.268 6.435 1.00 0.00 C ATOM 286 CZ TYR A 21 2.383 -8.569 7.559 1.00 0.00 C ATOM 287 OH TYR A 21 2.218 -9.798 8.118 1.00 0.00 O ATOM 0 H TYR A 21 2.327 -3.519 8.442 1.00 0.00 H new ATOM 0 HA TYR A 21 1.806 -2.779 5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.719 -4.748 4.715 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.941 -4.367 5.912 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.096 -5.685 8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.305 -6.702 4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 21 3.785 -7.974 9.042 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.003 -8.988 5.997 1.00 0.00 H new ATOM 0 HH TYR A 21 1.573 -10.313 7.590 1.00 0.00 H new ATOM 297 N VAL A 22 -0.102 -4.571 5.680 1.00 0.00 N ATOM 298 CA VAL A 22 -1.410 -5.177 5.860 1.00 0.00 C ATOM 299 C VAL A 22 -1.535 -6.392 4.939 1.00 0.00 C ATOM 300 O VAL A 22 -1.102 -6.351 3.789 1.00 0.00 O ATOM 301 CB VAL A 22 -2.507 -4.136 5.628 1.00 0.00 C ATOM 302 CG1 VAL A 22 -3.854 -4.630 6.158 1.00 0.00 C ATOM 303 CG2 VAL A 22 -2.130 -2.793 6.257 1.00 0.00 C ATOM 0 H VAL A 22 0.179 -4.444 4.708 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.529 -5.531 6.884 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.605 -3.987 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.616 -3.871 5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.132 -5.550 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.776 -4.822 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.927 -2.071 6.078 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.991 -2.920 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.204 -2.430 5.811 1.00 0.00 H new ATOM 313 N SER A 23 -2.131 -7.446 5.479 1.00 0.00 N ATOM 314 CA SER A 23 -2.318 -8.670 4.720 1.00 0.00 C ATOM 315 C SER A 23 -3.759 -8.756 4.212 1.00 0.00 C ATOM 316 O SER A 23 -4.619 -9.341 4.869 1.00 0.00 O ATOM 317 CB SER A 23 -1.980 -9.900 5.565 1.00 0.00 C ATOM 318 OG SER A 23 -3.002 -10.193 6.514 1.00 0.00 O ATOM 0 H SER A 23 -2.490 -7.477 6.433 1.00 0.00 H new ATOM 0 HA SER A 23 -1.639 -8.650 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.835 -10.760 4.911 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.038 -9.734 6.087 1.00 0.00 H new ATOM 0 HG SER A 23 -3.880 -10.068 6.098 1.00 0.00 H new ATOM 324 N VAL A 24 -3.978 -8.164 3.047 1.00 0.00 N ATOM 325 CA VAL A 24 -5.300 -8.166 2.444 1.00 0.00 C ATOM 326 C VAL A 24 -5.419 -9.358 1.492 1.00 0.00 C ATOM 327 O VAL A 24 -4.468 -9.691 0.786 1.00 0.00 O ATOM 328 CB VAL A 24 -5.564 -6.824 1.758 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.946 -6.806 1.101 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.411 -5.664 2.744 1.00 0.00 C ATOM 0 H VAL A 24 -3.262 -7.680 2.505 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.069 -8.282 3.208 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.818 -6.697 0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.108 -5.841 0.621 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.004 -7.597 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.712 -6.967 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.604 -4.722 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.123 -5.784 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.397 -5.658 3.144 1.00 0.00 H new ATOM 340 N LYS A 25 -6.596 -9.967 1.502 1.00 0.00 N ATOM 341 CA LYS A 25 -6.852 -11.114 0.649 1.00 0.00 C ATOM 342 C LYS A 25 -7.526 -10.644 -0.642 1.00 0.00 C ATOM 343 O LYS A 25 -8.736 -10.422 -0.670 1.00 0.00 O ATOM 344 CB LYS A 25 -7.649 -12.178 1.406 1.00 0.00 C ATOM 345 CG LYS A 25 -7.236 -13.586 0.970 1.00 0.00 C ATOM 346 CD LYS A 25 -7.890 -14.648 1.857 1.00 0.00 C ATOM 347 CE LYS A 25 -7.052 -15.928 1.887 1.00 0.00 C ATOM 348 NZ LYS A 25 -7.135 -16.570 3.217 1.00 0.00 N ATOM 0 H LYS A 25 -7.383 -9.687 2.088 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.915 -11.593 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.488 -12.064 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.715 -12.036 1.226 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.523 -13.748 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.151 -13.683 1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.006 -14.261 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.890 -14.872 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.404 -16.618 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.013 -15.695 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.561 -17.437 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.777 -15.915 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.125 -16.810 3.426 1.00 0.00 H new ATOM 362 N ALA A 26 -6.714 -10.505 -1.680 1.00 0.00 N ATOM 363 CA ALA A 26 -7.217 -10.065 -2.970 1.00 0.00 C ATOM 364 C ALA A 26 -7.329 -11.270 -3.906 1.00 0.00 C ATOM 365 O ALA A 26 -6.723 -12.312 -3.659 1.00 0.00 O ATOM 366 CB ALA A 26 -6.301 -8.975 -3.530 1.00 0.00 C ATOM 0 H ALA A 26 -5.711 -10.689 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.213 -9.633 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.678 -8.645 -4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.278 -8.130 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.293 -9.373 -3.650 1.00 0.00 H new ATOM 372 N LYS A 27 -8.107 -11.088 -4.963 1.00 0.00 N ATOM 373 CA LYS A 27 -8.306 -12.146 -5.938 1.00 0.00 C ATOM 374 C LYS A 27 -7.076 -12.237 -6.843 1.00 0.00 C ATOM 375 O LYS A 27 -6.152 -11.436 -6.723 1.00 0.00 O ATOM 376 CB LYS A 27 -9.616 -11.935 -6.699 1.00 0.00 C ATOM 377 CG LYS A 27 -10.769 -11.644 -5.736 1.00 0.00 C ATOM 378 CD LYS A 27 -12.108 -12.081 -6.335 1.00 0.00 C ATOM 379 CE LYS A 27 -13.250 -11.867 -5.341 1.00 0.00 C ATOM 380 NZ LYS A 27 -14.261 -10.944 -5.904 1.00 0.00 N ATOM 0 H LYS A 27 -8.607 -10.222 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.407 -13.110 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.505 -11.107 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.845 -12.823 -7.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.601 -12.165 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.798 -10.578 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.304 -11.516 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.058 -13.133 -6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.715 -12.823 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.857 -11.461 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.029 -10.810 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.817 -10.027 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.648 -11.346 -6.781 1.00 0.00 H new ATOM 394 N VAL A 28 -7.106 -13.221 -7.730 1.00 0.00 N ATOM 395 CA VAL A 28 -6.005 -13.428 -8.656 1.00 0.00 C ATOM 396 C VAL A 28 -5.996 -12.300 -9.690 1.00 0.00 C ATOM 397 O VAL A 28 -5.040 -12.160 -10.452 1.00 0.00 O ATOM 398 CB VAL A 28 -6.107 -14.817 -9.289 1.00 0.00 C ATOM 399 CG1 VAL A 28 -7.322 -14.911 -10.213 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.820 -15.174 -10.036 1.00 0.00 C ATOM 0 H VAL A 28 -7.875 -13.884 -7.827 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.052 -13.395 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.241 -15.542 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.371 -15.909 -10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.230 -14.721 -9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.233 -14.171 -11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.918 -16.166 -10.477 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.642 -14.443 -10.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.981 -15.168 -9.340 1.00 0.00 H new ATOM 410 N SER A 29 -7.070 -11.524 -9.682 1.00 0.00 N ATOM 411 CA SER A 29 -7.197 -10.412 -10.609 1.00 0.00 C ATOM 412 C SER A 29 -7.921 -9.247 -9.933 1.00 0.00 C ATOM 413 O SER A 29 -8.773 -8.602 -10.544 1.00 0.00 O ATOM 414 CB SER A 29 -7.941 -10.836 -11.877 1.00 0.00 C ATOM 415 OG SER A 29 -7.362 -11.993 -12.474 1.00 0.00 O ATOM 0 H SER A 29 -7.860 -11.643 -9.048 1.00 0.00 H new ATOM 0 HA SER A 29 -6.196 -10.090 -10.897 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.985 -11.037 -11.635 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.932 -10.015 -12.594 1.00 0.00 H new ATOM 0 HG SER A 29 -7.866 -12.233 -13.280 1.00 0.00 H new ATOM 421 N SER A 30 -7.557 -9.012 -8.681 1.00 0.00 N ATOM 422 CA SER A 30 -8.162 -7.935 -7.915 1.00 0.00 C ATOM 423 C SER A 30 -7.393 -6.633 -8.146 1.00 0.00 C ATOM 424 O SER A 30 -6.188 -6.655 -8.395 1.00 0.00 O ATOM 425 CB SER A 30 -8.198 -8.273 -6.423 1.00 0.00 C ATOM 426 OG SER A 30 -7.928 -7.133 -5.611 1.00 0.00 O ATOM 0 H SER A 30 -6.851 -9.549 -8.178 1.00 0.00 H new ATOM 0 HA SER A 30 -9.190 -7.808 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.177 -8.677 -6.166 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.466 -9.052 -6.210 1.00 0.00 H new ATOM 0 HG SER A 30 -8.400 -7.221 -4.757 1.00 0.00 H new ATOM 432 N ILE A 31 -8.120 -5.529 -8.056 1.00 0.00 N ATOM 433 CA ILE A 31 -7.521 -4.220 -8.252 1.00 0.00 C ATOM 434 C ILE A 31 -6.995 -3.699 -6.913 1.00 0.00 C ATOM 435 O ILE A 31 -7.361 -4.211 -5.856 1.00 0.00 O ATOM 436 CB ILE A 31 -8.513 -3.274 -8.932 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.849 -3.251 -8.187 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.686 -3.631 -10.410 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.654 -1.999 -8.542 1.00 0.00 C ATOM 0 H ILE A 31 -9.119 -5.514 -7.850 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.667 -4.289 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.105 -2.264 -8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.425 -4.141 -8.439 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.670 -3.280 -7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.396 -2.944 -10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.725 -3.553 -10.918 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.061 -4.651 -10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.599 -2.008 -7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.085 -1.111 -8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.852 -1.985 -9.614 1.00 0.00 H new ATOM 451 N ALA A 32 -6.143 -2.688 -7.002 1.00 0.00 N ATOM 452 CA ALA A 32 -5.562 -2.093 -5.810 1.00 0.00 C ATOM 453 C ALA A 32 -6.669 -1.439 -4.980 1.00 0.00 C ATOM 454 O ALA A 32 -6.665 -1.530 -3.754 1.00 0.00 O ATOM 455 CB ALA A 32 -4.473 -1.097 -6.216 1.00 0.00 C ATOM 0 H ALA A 32 -5.841 -2.266 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.092 -2.856 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.037 -0.650 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.697 -1.616 -6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.909 -0.314 -6.837 1.00 0.00 H new ATOM 461 N GLN A 33 -7.589 -0.795 -5.682 1.00 0.00 N ATOM 462 CA GLN A 33 -8.700 -0.127 -5.026 1.00 0.00 C ATOM 463 C GLN A 33 -9.354 -1.062 -4.007 1.00 0.00 C ATOM 464 O GLN A 33 -9.669 -0.649 -2.892 1.00 0.00 O ATOM 465 CB GLN A 33 -9.723 0.371 -6.049 1.00 0.00 C ATOM 466 CG GLN A 33 -11.002 0.846 -5.358 1.00 0.00 C ATOM 467 CD GLN A 33 -10.940 2.345 -5.060 1.00 0.00 C ATOM 468 OE1 GLN A 33 -10.085 2.670 -4.094 1.00 0.00 O flip ATOM 469 NE2 GLN A 33 -11.624 3.154 -5.665 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.588 -0.721 -6.699 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.313 0.743 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.294 1.188 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.960 -0.429 -6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.863 0.633 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.145 0.293 -4.430 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.261 2.838 -6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.559 4.147 -5.440 1.00 0.00 H new ATOM 478 N GLU A 34 -9.541 -2.305 -4.426 1.00 0.00 N ATOM 479 CA GLU A 34 -10.152 -3.302 -3.564 1.00 0.00 C ATOM 480 C GLU A 34 -9.363 -3.432 -2.260 1.00 0.00 C ATOM 481 O GLU A 34 -9.944 -3.655 -1.199 1.00 0.00 O ATOM 482 CB GLU A 34 -10.259 -4.652 -4.277 1.00 0.00 C ATOM 483 CG GLU A 34 -11.421 -4.656 -5.272 1.00 0.00 C ATOM 484 CD GLU A 34 -11.524 -6.004 -5.989 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.849 -6.992 -5.297 1.00 0.00 O ATOM 486 OE2 GLU A 34 -11.275 -6.015 -7.214 1.00 0.00 O ATOM 0 H GLU A 34 -9.280 -2.644 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.163 -2.974 -3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.327 -4.866 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.402 -5.445 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.354 -4.446 -4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.281 -3.861 -6.004 1.00 0.00 H new ATOM 493 N ILE A 35 -8.052 -3.287 -2.382 1.00 0.00 N ATOM 494 CA ILE A 35 -7.177 -3.385 -1.226 1.00 0.00 C ATOM 495 C ILE A 35 -7.099 -2.023 -0.534 1.00 0.00 C ATOM 496 O ILE A 35 -7.081 -1.946 0.694 1.00 0.00 O ATOM 497 CB ILE A 35 -5.814 -3.948 -1.631 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.967 -5.069 -2.661 1.00 0.00 C ATOM 499 CG2 ILE A 35 -5.020 -4.401 -0.404 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.819 -6.212 -2.104 1.00 0.00 C ATOM 0 H ILE A 35 -7.574 -3.102 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.583 -4.089 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.243 -3.150 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.428 -4.675 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.984 -5.447 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.055 -4.797 -0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.863 -3.552 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.575 -5.177 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.912 -6.996 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.343 -6.619 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.809 -5.836 -1.847 1.00 0.00 H new ATOM 512 N LEU A 36 -7.056 -0.981 -1.351 1.00 0.00 N ATOM 513 CA LEU A 36 -6.980 0.374 -0.833 1.00 0.00 C ATOM 514 C LEU A 36 -8.166 0.626 0.101 1.00 0.00 C ATOM 515 O LEU A 36 -7.994 1.148 1.201 1.00 0.00 O ATOM 516 CB LEU A 36 -6.877 1.382 -1.980 1.00 0.00 C ATOM 517 CG LEU A 36 -6.454 2.800 -1.591 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.981 2.840 -1.182 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.765 3.791 -2.714 1.00 0.00 C ATOM 0 H LEU A 36 -7.072 -1.048 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.074 0.505 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.165 0.999 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.845 1.437 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.037 3.105 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.706 3.859 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.823 2.182 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.363 2.508 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.455 4.792 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.226 3.500 -3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.836 3.788 -2.915 1.00 0.00 H new ATOM 531 N LYS A 37 -9.342 0.241 -0.372 1.00 0.00 N ATOM 532 CA LYS A 37 -10.556 0.418 0.407 1.00 0.00 C ATOM 533 C LYS A 37 -10.408 -0.309 1.745 1.00 0.00 C ATOM 534 O LYS A 37 -10.967 0.119 2.754 1.00 0.00 O ATOM 535 CB LYS A 37 -11.779 -0.021 -0.400 1.00 0.00 C ATOM 536 CG LYS A 37 -11.718 -1.516 -0.720 1.00 0.00 C ATOM 537 CD LYS A 37 -13.023 -2.214 -0.332 1.00 0.00 C ATOM 538 CE LYS A 37 -12.909 -3.729 -0.512 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.289 -4.117 -1.888 1.00 0.00 N ATOM 0 H LYS A 37 -9.480 -0.193 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.714 1.473 0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.687 0.197 0.162 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.832 0.551 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.529 -1.656 -1.784 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.885 -1.972 -0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.268 -1.985 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.840 -1.832 -0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.888 -4.050 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.553 -4.236 0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.169 -4.671 -1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.435 -3.262 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.531 -4.691 -2.309 1.00 0.00 H new ATOM 553 N VAL A 38 -9.653 -1.397 1.711 1.00 0.00 N ATOM 554 CA VAL A 38 -9.425 -2.188 2.908 1.00 0.00 C ATOM 555 C VAL A 38 -8.339 -1.522 3.755 1.00 0.00 C ATOM 556 O VAL A 38 -8.606 -1.068 4.867 1.00 0.00 O ATOM 557 CB VAL A 38 -9.084 -3.630 2.526 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.027 -4.527 3.764 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.080 -4.175 1.500 1.00 0.00 C ATOM 0 H VAL A 38 -9.191 -1.750 0.873 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.330 -2.232 3.514 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.095 -3.630 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.783 -5.546 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.262 -4.157 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.995 -4.518 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.815 -5.201 1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.085 -4.153 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.050 -3.559 0.601 1.00 0.00 H new ATOM 569 N VAL A 39 -7.138 -1.485 3.198 1.00 0.00 N ATOM 570 CA VAL A 39 -6.011 -0.881 3.888 1.00 0.00 C ATOM 571 C VAL A 39 -6.451 0.443 4.515 1.00 0.00 C ATOM 572 O VAL A 39 -6.257 0.664 5.709 1.00 0.00 O ATOM 573 CB VAL A 39 -4.831 -0.724 2.926 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.639 -0.067 3.624 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.436 -2.072 2.318 1.00 0.00 C ATOM 0 H VAL A 39 -6.920 -1.864 2.276 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.670 -1.526 4.698 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.146 -0.069 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.814 0.033 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.928 0.920 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.324 -0.685 4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.595 -1.932 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.149 -2.760 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.282 -2.485 1.769 1.00 0.00 H new ATOM 585 N ALA A 40 -7.037 1.289 3.681 1.00 0.00 N ATOM 586 CA ALA A 40 -7.507 2.586 4.139 1.00 0.00 C ATOM 587 C ALA A 40 -8.146 2.434 5.521 1.00 0.00 C ATOM 588 O ALA A 40 -7.897 3.240 6.416 1.00 0.00 O ATOM 589 CB ALA A 40 -8.477 3.170 3.109 1.00 0.00 C ATOM 0 H ALA A 40 -7.197 1.102 2.691 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.675 3.283 4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.830 4.143 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.966 3.286 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.327 2.498 2.988 1.00 0.00 H new ATOM 595 N GLU A 41 -8.957 1.394 5.651 1.00 0.00 N ATOM 596 CA GLU A 41 -9.633 1.125 6.909 1.00 0.00 C ATOM 597 C GLU A 41 -8.634 0.614 7.950 1.00 0.00 C ATOM 598 O GLU A 41 -8.647 1.056 9.097 1.00 0.00 O ATOM 599 CB GLU A 41 -10.779 0.131 6.714 1.00 0.00 C ATOM 600 CG GLU A 41 -11.587 0.466 5.459 1.00 0.00 C ATOM 601 CD GLU A 41 -13.031 0.827 5.816 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.196 1.686 6.709 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.936 0.237 5.188 1.00 0.00 O ATOM 0 H GLU A 41 -9.161 0.728 4.906 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.063 2.057 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.379 -0.880 6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.432 0.147 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.120 1.298 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.579 -0.386 4.779 1.00 0.00 H new ATOM 610 N LYS A 42 -7.793 -0.311 7.511 1.00 0.00 N ATOM 611 CA LYS A 42 -6.790 -0.887 8.391 1.00 0.00 C ATOM 612 C LYS A 42 -5.973 0.237 9.031 1.00 0.00 C ATOM 613 O LYS A 42 -5.457 0.081 10.137 1.00 0.00 O ATOM 614 CB LYS A 42 -5.940 -1.911 7.635 1.00 0.00 C ATOM 615 CG LYS A 42 -6.220 -3.330 8.134 1.00 0.00 C ATOM 616 CD LYS A 42 -7.695 -3.694 7.951 1.00 0.00 C ATOM 617 CE LYS A 42 -7.896 -4.561 6.707 1.00 0.00 C ATOM 618 NZ LYS A 42 -7.822 -5.997 7.058 1.00 0.00 N ATOM 0 H LYS A 42 -7.785 -0.676 6.558 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.266 -1.438 9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.152 -1.848 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.883 -1.678 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.596 -4.040 7.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.950 -3.409 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.054 -4.227 8.832 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.290 -2.785 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.863 -4.340 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.135 -4.323 5.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.961 -6.571 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.890 -6.206 7.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.564 -6.224 7.751 1.00 0.00 H new ATOM 632 N ILE A 43 -5.883 1.345 8.310 1.00 0.00 N ATOM 633 CA ILE A 43 -5.138 2.494 8.794 1.00 0.00 C ATOM 634 C ILE A 43 -6.118 3.567 9.272 1.00 0.00 C ATOM 635 O ILE A 43 -5.744 4.463 10.028 1.00 0.00 O ATOM 636 CB ILE A 43 -4.159 2.987 7.727 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.818 4.027 6.817 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.579 1.816 6.932 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.782 4.704 5.918 1.00 0.00 C ATOM 0 H ILE A 43 -6.314 1.471 7.394 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.525 2.216 9.651 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.326 3.479 8.229 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.580 3.547 6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.324 4.778 7.424 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.886 2.194 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.050 1.144 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.387 1.274 6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.277 5.438 5.282 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.035 5.203 6.535 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.295 3.954 5.295 1.00 0.00 H new ATOM 651 N GLN A 44 -7.354 3.442 8.812 1.00 0.00 N ATOM 652 CA GLN A 44 -8.391 4.389 9.183 1.00 0.00 C ATOM 653 C GLN A 44 -8.211 5.701 8.415 1.00 0.00 C ATOM 654 O GLN A 44 -8.052 6.761 9.019 1.00 0.00 O ATOM 655 CB GLN A 44 -8.395 4.634 10.693 1.00 0.00 C ATOM 656 CG GLN A 44 -8.325 3.314 11.463 1.00 0.00 C ATOM 657 CD GLN A 44 -8.665 3.521 12.940 1.00 0.00 C ATOM 658 OE1 GLN A 44 -7.841 3.927 13.742 1.00 0.00 O ATOM 659 NE2 GLN A 44 -9.922 3.220 13.253 1.00 0.00 N ATOM 0 H GLN A 44 -7.661 2.698 8.185 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.358 3.963 8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.548 5.263 10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.298 5.176 10.975 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.018 2.596 11.024 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.325 2.889 11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.561 2.885 12.532 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.247 3.324 14.214 1.00 0.00 H new ATOM 668 N TYR A 45 -8.242 5.586 7.096 1.00 0.00 N ATOM 669 CA TYR A 45 -8.084 6.750 6.240 1.00 0.00 C ATOM 670 C TYR A 45 -9.098 6.730 5.094 1.00 0.00 C ATOM 671 O TYR A 45 -10.111 6.035 5.170 1.00 0.00 O ATOM 672 CB TYR A 45 -6.672 6.656 5.657 1.00 0.00 C ATOM 673 CG TYR A 45 -5.754 7.811 6.060 1.00 0.00 C ATOM 674 CD1 TYR A 45 -4.998 7.722 7.211 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.683 8.943 5.273 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.133 8.809 7.591 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.818 10.030 5.653 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.086 9.909 6.793 1.00 0.00 C ATOM 679 OH TYR A 45 -3.270 10.937 7.152 1.00 0.00 O ATOM 0 H TYR A 45 -8.374 4.705 6.599 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.243 7.667 6.807 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.220 5.717 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.741 6.622 4.570 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.055 6.837 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.276 9.013 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.536 8.752 8.489 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.752 10.921 5.046 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.337 11.655 6.489 1.00 0.00 H new ATOM 689 N ALA A 46 -8.791 7.500 4.061 1.00 0.00 N ATOM 690 CA ALA A 46 -9.663 7.579 2.902 1.00 0.00 C ATOM 691 C ALA A 46 -8.950 6.977 1.690 1.00 0.00 C ATOM 692 O ALA A 46 -8.063 7.605 1.112 1.00 0.00 O ATOM 693 CB ALA A 46 -10.077 9.034 2.672 1.00 0.00 C ATOM 0 H ALA A 46 -7.950 8.075 4.002 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.574 7.003 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.731 9.093 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.606 9.405 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.189 9.642 2.500 1.00 0.00 H new ATOM 699 N GLU A 47 -9.362 5.768 1.340 1.00 0.00 N ATOM 700 CA GLU A 47 -8.773 5.074 0.207 1.00 0.00 C ATOM 701 C GLU A 47 -8.634 6.025 -0.983 1.00 0.00 C ATOM 702 O GLU A 47 -7.617 6.015 -1.675 1.00 0.00 O ATOM 703 CB GLU A 47 -9.597 3.841 -0.170 1.00 0.00 C ATOM 704 CG GLU A 47 -11.075 4.199 -0.338 1.00 0.00 C ATOM 705 CD GLU A 47 -11.881 2.990 -0.817 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.741 2.652 -2.012 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.619 2.432 0.024 1.00 0.00 O ATOM 0 H GLU A 47 -10.097 5.250 1.821 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.778 4.732 0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.215 3.414 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.489 3.078 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.477 4.556 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.176 5.015 -1.054 1.00 0.00 H new ATOM 714 N GLU A 48 -9.671 6.825 -1.186 1.00 0.00 N ATOM 715 CA GLU A 48 -9.678 7.780 -2.281 1.00 0.00 C ATOM 716 C GLU A 48 -8.503 8.751 -2.144 1.00 0.00 C ATOM 717 O GLU A 48 -7.944 9.198 -3.144 1.00 0.00 O ATOM 718 CB GLU A 48 -11.008 8.534 -2.343 1.00 0.00 C ATOM 719 CG GLU A 48 -11.208 9.397 -1.096 1.00 0.00 C ATOM 720 CD GLU A 48 -12.680 9.774 -0.921 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.230 10.370 -1.873 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.223 9.459 0.160 1.00 0.00 O ATOM 0 H GLU A 48 -10.513 6.831 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.565 7.232 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.032 9.163 -3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.829 7.823 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.860 8.857 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.604 10.301 -1.174 1.00 0.00 H new ATOM 729 N ASP A 49 -8.164 9.049 -0.899 1.00 0.00 N ATOM 730 CA ASP A 49 -7.066 9.959 -0.619 1.00 0.00 C ATOM 731 C ASP A 49 -5.757 9.169 -0.562 1.00 0.00 C ATOM 732 O ASP A 49 -4.684 9.750 -0.404 1.00 0.00 O ATOM 733 CB ASP A 49 -7.258 10.654 0.731 1.00 0.00 C ATOM 734 CG ASP A 49 -8.413 11.655 0.784 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.558 11.214 0.545 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.126 12.839 1.063 1.00 0.00 O ATOM 0 H ASP A 49 -8.630 8.676 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.038 10.708 -1.410 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.421 9.893 1.494 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.335 11.173 0.990 1.00 0.00 H new ATOM 741 N LEU A 50 -5.888 7.857 -0.695 1.00 0.00 N ATOM 742 CA LEU A 50 -4.729 6.982 -0.661 1.00 0.00 C ATOM 743 C LEU A 50 -4.447 6.461 -2.072 1.00 0.00 C ATOM 744 O LEU A 50 -5.159 6.800 -3.016 1.00 0.00 O ATOM 745 CB LEU A 50 -4.923 5.875 0.376 1.00 0.00 C ATOM 746 CG LEU A 50 -5.066 6.335 1.829 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.178 5.137 2.774 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.922 7.271 2.223 1.00 0.00 C ATOM 0 H LEU A 50 -6.779 7.379 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.845 7.534 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.812 5.304 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.075 5.193 0.313 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.992 6.903 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.279 5.491 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.053 4.544 2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.283 4.521 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.048 7.583 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.971 6.749 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.931 8.149 1.576 1.00 0.00 H new ATOM 760 N ALA A 51 -3.409 5.644 -2.170 1.00 0.00 N ATOM 761 CA ALA A 51 -3.025 5.072 -3.449 1.00 0.00 C ATOM 762 C ALA A 51 -1.900 4.058 -3.233 1.00 0.00 C ATOM 763 O ALA A 51 -1.008 4.280 -2.415 1.00 0.00 O ATOM 764 CB ALA A 51 -2.622 6.193 -4.410 1.00 0.00 C ATOM 0 H ALA A 51 -2.822 5.364 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.865 4.542 -3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.334 5.764 -5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.464 6.870 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.780 6.745 -3.992 1.00 0.00 H new ATOM 770 N LEU A 52 -1.979 2.966 -3.980 1.00 0.00 N ATOM 771 CA LEU A 52 -0.979 1.917 -3.879 1.00 0.00 C ATOM 772 C LEU A 52 0.224 2.280 -4.753 1.00 0.00 C ATOM 773 O LEU A 52 0.100 2.389 -5.972 1.00 0.00 O ATOM 774 CB LEU A 52 -1.594 0.556 -4.214 1.00 0.00 C ATOM 775 CG LEU A 52 -2.780 0.126 -3.349 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.554 0.499 -1.883 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.091 0.701 -3.891 1.00 0.00 C ATOM 0 H LEU A 52 -2.720 2.785 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.616 1.834 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.916 0.571 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.816 -0.203 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.860 -0.960 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.412 0.182 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.656 0.003 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.433 1.579 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.918 0.380 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.037 1.790 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.252 0.343 -4.908 1.00 0.00 H new ATOM 789 N VAL A 53 1.361 2.456 -4.096 1.00 0.00 N ATOM 790 CA VAL A 53 2.584 2.804 -4.797 1.00 0.00 C ATOM 791 C VAL A 53 3.586 1.655 -4.668 1.00 0.00 C ATOM 792 O VAL A 53 3.869 1.195 -3.562 1.00 0.00 O ATOM 793 CB VAL A 53 3.129 4.134 -4.272 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.005 4.997 -3.695 1.00 0.00 C ATOM 795 CG2 VAL A 53 4.231 3.904 -3.236 1.00 0.00 C ATOM 0 H VAL A 53 1.460 2.364 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 53 2.387 2.946 -5.860 1.00 0.00 H new ATOM 0 HB VAL A 53 3.567 4.672 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.419 5.936 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.269 5.203 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.525 4.467 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.601 4.865 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.829 3.336 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.049 3.347 -3.693 1.00 0.00 H new ATOM 805 N ALA A 54 4.096 1.224 -5.812 1.00 0.00 N ATOM 806 CA ALA A 54 5.060 0.138 -5.840 1.00 0.00 C ATOM 807 C ALA A 54 6.474 0.718 -5.917 1.00 0.00 C ATOM 808 O ALA A 54 6.666 1.832 -6.401 1.00 0.00 O ATOM 809 CB ALA A 54 4.747 -0.792 -7.014 1.00 0.00 C ATOM 0 H ALA A 54 3.859 1.608 -6.727 1.00 0.00 H new ATOM 0 HA ALA A 54 4.996 -0.455 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.470 -1.607 -7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.743 -1.201 -6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.804 -0.232 -7.947 1.00 0.00 H new ATOM 815 N ILE A 55 7.427 -0.064 -5.433 1.00 0.00 N ATOM 816 CA ILE A 55 8.817 0.358 -5.441 1.00 0.00 C ATOM 817 C ILE A 55 9.689 -0.782 -5.972 1.00 0.00 C ATOM 818 O ILE A 55 9.317 -1.950 -5.873 1.00 0.00 O ATOM 819 CB ILE A 55 9.234 0.856 -4.055 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.189 1.815 -3.481 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.628 1.485 -4.095 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.808 2.730 -2.422 1.00 0.00 C ATOM 0 H ILE A 55 7.264 -0.988 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 55 8.954 1.205 -6.114 1.00 0.00 H new ATOM 0 HB ILE A 55 9.287 -0.002 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.763 2.417 -4.283 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.370 1.246 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.900 1.831 -3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.352 0.743 -4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.626 2.330 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.044 3.402 -2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.211 2.125 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.610 3.316 -2.871 1.00 0.00 H new ATOM 834 N THR A 56 10.832 -0.402 -6.524 1.00 0.00 N ATOM 835 CA THR A 56 11.759 -1.377 -7.071 1.00 0.00 C ATOM 836 C THR A 56 12.900 -1.639 -6.086 1.00 0.00 C ATOM 837 O THR A 56 13.022 -0.951 -5.075 1.00 0.00 O ATOM 838 CB THR A 56 12.236 -0.865 -8.432 1.00 0.00 C ATOM 839 OG1 THR A 56 13.182 -1.842 -8.858 1.00 0.00 O ATOM 840 CG2 THR A 56 13.055 0.422 -8.318 1.00 0.00 C ATOM 0 H THR A 56 11.137 0.568 -6.604 1.00 0.00 H new ATOM 0 HA THR A 56 11.275 -2.342 -7.223 1.00 0.00 H new ATOM 0 HB THR A 56 11.375 -0.691 -9.077 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.736 -2.709 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.369 0.743 -9.311 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.446 1.202 -7.861 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.935 0.240 -7.701 1.00 0.00 H new ATOM 848 N PHE A 57 13.708 -2.637 -6.417 1.00 0.00 N ATOM 849 CA PHE A 57 14.835 -2.998 -5.574 1.00 0.00 C ATOM 850 C PHE A 57 15.727 -1.785 -5.302 1.00 0.00 C ATOM 851 O PHE A 57 15.915 -1.394 -4.151 1.00 0.00 O ATOM 852 CB PHE A 57 15.643 -4.050 -6.336 1.00 0.00 C ATOM 853 CG PHE A 57 16.710 -4.748 -5.489 1.00 0.00 C ATOM 854 CD1 PHE A 57 17.852 -4.088 -5.156 1.00 0.00 C ATOM 855 CD2 PHE A 57 16.517 -6.027 -5.070 1.00 0.00 C ATOM 856 CE1 PHE A 57 18.842 -4.735 -4.370 1.00 0.00 C ATOM 857 CE2 PHE A 57 17.507 -6.674 -4.285 1.00 0.00 C ATOM 858 CZ PHE A 57 18.649 -6.014 -3.951 1.00 0.00 C ATOM 0 H PHE A 57 13.604 -3.206 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 57 14.478 -3.374 -4.615 1.00 0.00 H new ATOM 0 HB2 PHE A 57 14.960 -4.801 -6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.125 -3.575 -7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.006 -3.072 -5.489 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.610 -6.551 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.748 -4.211 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.354 -7.690 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 57 19.402 -6.506 -3.353 1.00 0.00 H new ATOM 868 N SER A 58 16.253 -1.224 -6.381 1.00 0.00 N ATOM 869 CA SER A 58 17.121 -0.064 -6.273 1.00 0.00 C ATOM 870 C SER A 58 16.595 0.885 -5.194 1.00 0.00 C ATOM 871 O SER A 58 17.273 1.137 -4.200 1.00 0.00 O ATOM 872 CB SER A 58 17.234 0.666 -7.613 1.00 0.00 C ATOM 873 OG SER A 58 18.590 0.927 -7.966 1.00 0.00 O ATOM 0 H SER A 58 16.095 -1.551 -7.334 1.00 0.00 H new ATOM 0 HA SER A 58 18.117 -0.407 -5.992 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.765 0.066 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.685 1.606 -7.561 1.00 0.00 H new ATOM 0 HG SER A 58 18.620 1.392 -8.828 1.00 0.00 H new ATOM 879 N GLY A 59 15.390 1.385 -5.428 1.00 0.00 N ATOM 880 CA GLY A 59 14.765 2.301 -4.489 1.00 0.00 C ATOM 881 C GLY A 59 14.109 3.474 -5.220 1.00 0.00 C ATOM 882 O GLY A 59 14.607 4.597 -5.172 1.00 0.00 O ATOM 0 H GLY A 59 14.830 1.173 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.016 1.770 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.512 2.676 -3.790 1.00 0.00 H new ATOM 886 N GLU A 60 13.001 3.172 -5.881 1.00 0.00 N ATOM 887 CA GLU A 60 12.271 4.187 -6.621 1.00 0.00 C ATOM 888 C GLU A 60 10.764 3.978 -6.465 1.00 0.00 C ATOM 889 O GLU A 60 10.252 2.894 -6.742 1.00 0.00 O ATOM 890 CB GLU A 60 12.675 4.185 -8.097 1.00 0.00 C ATOM 891 CG GLU A 60 14.045 4.837 -8.292 1.00 0.00 C ATOM 892 CD GLU A 60 14.432 4.869 -9.772 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.854 5.713 -10.491 1.00 0.00 O ATOM 894 OE2 GLU A 60 15.296 4.050 -10.151 1.00 0.00 O ATOM 0 H GLU A 60 12.591 2.239 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 60 12.526 5.163 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.699 3.161 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.927 4.720 -8.683 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.028 5.852 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.797 4.286 -7.728 1.00 0.00 H new ATOM 901 N LYS A 61 10.095 5.032 -6.021 1.00 0.00 N ATOM 902 CA LYS A 61 8.657 4.977 -5.825 1.00 0.00 C ATOM 903 C LYS A 61 7.960 4.953 -7.187 1.00 0.00 C ATOM 904 O LYS A 61 8.461 5.525 -8.154 1.00 0.00 O ATOM 905 CB LYS A 61 8.196 6.121 -4.919 1.00 0.00 C ATOM 906 CG LYS A 61 8.500 5.814 -3.451 1.00 0.00 C ATOM 907 CD LYS A 61 8.300 7.055 -2.579 1.00 0.00 C ATOM 908 CE LYS A 61 9.494 7.267 -1.646 1.00 0.00 C ATOM 909 NZ LYS A 61 9.329 8.515 -0.868 1.00 0.00 N ATOM 0 H LYS A 61 10.523 5.929 -5.791 1.00 0.00 H new ATOM 0 HA LYS A 61 8.379 4.059 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.694 7.045 -5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.126 6.282 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.851 5.011 -3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.526 5.459 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.169 7.932 -3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.389 6.948 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.588 6.419 -0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.414 7.314 -2.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.148 8.643 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.261 9.323 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.461 8.456 -0.298 1.00 0.00 H new ATOM 923 N HIS A 62 6.816 4.285 -7.219 1.00 0.00 N ATOM 924 CA HIS A 62 6.046 4.179 -8.447 1.00 0.00 C ATOM 925 C HIS A 62 4.561 4.039 -8.110 1.00 0.00 C ATOM 926 O HIS A 62 4.148 3.051 -7.506 1.00 0.00 O ATOM 927 CB HIS A 62 6.568 3.034 -9.318 1.00 0.00 C ATOM 928 CG HIS A 62 6.988 3.460 -10.704 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.065 4.298 -10.937 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.467 3.154 -11.927 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.177 4.482 -12.244 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.186 3.773 -12.856 1.00 0.00 N ATOM 0 H HIS A 62 6.404 3.812 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 62 6.165 5.089 -9.036 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.418 2.569 -8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.793 2.272 -9.402 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.670 4.705 -10.223 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.614 2.516 -12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.922 5.087 -12.738 1.00 0.00 H new ATOM 940 N GLU A 63 3.797 5.043 -8.517 1.00 0.00 N ATOM 941 CA GLU A 63 2.366 5.044 -8.266 1.00 0.00 C ATOM 942 C GLU A 63 1.622 4.399 -9.436 1.00 0.00 C ATOM 943 O GLU A 63 2.116 4.391 -10.563 1.00 0.00 O ATOM 944 CB GLU A 63 1.856 6.463 -8.007 1.00 0.00 C ATOM 945 CG GLU A 63 1.644 6.706 -6.511 1.00 0.00 C ATOM 946 CD GLU A 63 2.777 7.551 -5.927 1.00 0.00 C ATOM 947 OE1 GLU A 63 2.744 8.780 -6.154 1.00 0.00 O ATOM 948 OE2 GLU A 63 3.652 6.950 -5.266 1.00 0.00 O ATOM 0 H GLU A 63 4.143 5.861 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 63 2.173 4.455 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.570 7.187 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.919 6.619 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.691 7.210 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.591 5.751 -5.988 1.00 0.00 H new ATOM 955 N LEU A 64 0.445 3.873 -9.130 1.00 0.00 N ATOM 956 CA LEU A 64 -0.373 3.227 -10.142 1.00 0.00 C ATOM 957 C LEU A 64 -1.800 3.772 -10.063 1.00 0.00 C ATOM 958 O LEU A 64 -2.019 4.881 -9.578 1.00 0.00 O ATOM 959 CB LEU A 64 -0.288 1.705 -10.009 1.00 0.00 C ATOM 960 CG LEU A 64 1.022 1.154 -9.442 1.00 0.00 C ATOM 961 CD1 LEU A 64 0.884 0.832 -7.953 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.502 -0.056 -10.248 1.00 0.00 C ATOM 0 H LEU A 64 0.038 3.881 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 64 0.002 3.458 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.106 1.369 -9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.449 1.264 -10.993 1.00 0.00 H new ATOM 0 HG LEU A 64 1.785 1.927 -9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.829 0.442 -7.576 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.622 1.739 -7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.102 0.085 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.435 -0.429 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.747 -0.841 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.667 0.239 -11.284 1.00 0.00 H new ATOM 974 N GLN A 65 -2.735 2.968 -10.548 1.00 0.00 N ATOM 975 CA GLN A 65 -4.135 3.356 -10.538 1.00 0.00 C ATOM 976 C GLN A 65 -4.925 2.469 -9.574 1.00 0.00 C ATOM 977 O GLN A 65 -4.455 1.403 -9.179 1.00 0.00 O ATOM 978 CB GLN A 65 -4.729 3.299 -11.947 1.00 0.00 C ATOM 979 CG GLN A 65 -4.453 4.595 -12.711 1.00 0.00 C ATOM 980 CD GLN A 65 -5.748 5.191 -13.266 1.00 0.00 C ATOM 981 OE1 GLN A 65 -6.130 4.964 -14.402 1.00 0.00 O ATOM 982 NE2 GLN A 65 -6.401 5.965 -12.403 1.00 0.00 N ATOM 0 H GLN A 65 -2.550 2.049 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.204 4.387 -10.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.305 2.455 -12.491 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.804 3.131 -11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.971 5.315 -12.050 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.759 4.399 -13.528 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.026 6.114 -11.466 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.277 6.410 -12.678 1.00 0.00 H new ATOM 991 N PRO A 66 -6.143 2.955 -9.213 1.00 0.00 N ATOM 992 CA PRO A 66 -7.002 2.218 -8.302 1.00 0.00 C ATOM 993 C PRO A 66 -7.649 1.023 -9.004 1.00 0.00 C ATOM 994 O PRO A 66 -8.361 0.240 -8.377 1.00 0.00 O ATOM 995 CB PRO A 66 -8.017 3.237 -7.808 1.00 0.00 C ATOM 996 CG PRO A 66 -7.977 4.382 -8.806 1.00 0.00 C ATOM 997 CD PRO A 66 -6.731 4.214 -9.660 1.00 0.00 C ATOM 0 HA PRO A 66 -6.454 1.783 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.014 2.800 -7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.766 3.584 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.871 4.376 -9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.957 5.340 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.979 4.181 -10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.040 5.045 -9.520 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.378 0.919 -10.297 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.925 -0.168 -11.092 1.00 0.00 C ATOM 1007 C ASN A 67 -6.798 -1.129 -11.477 1.00 0.00 C ATOM 1008 O ASN A 67 -7.041 -2.149 -12.120 1.00 0.00 O ATOM 1009 CB ASN A 67 -8.559 0.358 -12.381 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.865 1.637 -12.852 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -6.733 1.628 -13.307 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -8.604 2.735 -12.719 1.00 0.00 N ATOM 0 H ASN A 67 -6.787 1.570 -10.814 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.685 -0.673 -10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.494 -0.403 -13.159 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.618 0.555 -12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.230 3.639 -13.006 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.545 2.672 -12.330 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.591 -0.769 -11.067 1.00 0.00 N ATOM 1020 CA ASP A 68 -4.426 -1.587 -11.361 1.00 0.00 C ATOM 1021 C ASP A 68 -4.491 -2.874 -10.537 1.00 0.00 C ATOM 1022 O ASP A 68 -5.118 -2.906 -9.479 1.00 0.00 O ATOM 1023 CB ASP A 68 -3.133 -0.855 -10.996 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.874 -1.384 -11.687 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -1.291 -2.347 -11.144 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -1.523 -0.813 -12.742 1.00 0.00 O ATOM 0 H ASP A 68 -5.394 0.078 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.427 -1.805 -12.429 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.249 0.200 -11.243 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.990 -0.916 -9.917 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.834 -3.903 -11.052 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.809 -5.189 -10.376 1.00 0.00 C ATOM 1033 C LEU A 69 -2.795 -5.139 -9.232 1.00 0.00 C ATOM 1034 O LEU A 69 -1.728 -4.542 -9.368 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.550 -6.316 -11.378 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.748 -6.746 -12.227 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.023 -6.814 -11.383 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.914 -5.834 -13.444 1.00 0.00 C ATOM 0 H LEU A 69 -3.315 -3.872 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.781 -5.405 -9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.749 -6.003 -12.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.187 -7.186 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.557 -7.751 -12.602 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.859 -7.122 -12.011 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.888 -7.536 -10.578 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.231 -5.832 -10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.773 -6.162 -14.030 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.072 -4.808 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.015 -5.881 -14.059 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.164 -5.774 -8.129 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.300 -5.809 -6.961 1.00 0.00 C ATOM 1052 C VAL A 70 -1.739 -7.222 -6.790 1.00 0.00 C ATOM 1053 O VAL A 70 -1.573 -7.696 -5.667 1.00 0.00 O ATOM 1054 CB VAL A 70 -3.063 -5.315 -5.730 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.669 -3.878 -5.382 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.574 -5.435 -5.937 1.00 0.00 C ATOM 0 H VAL A 70 -4.050 -6.268 -8.020 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.453 -5.136 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.789 -5.951 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.225 -3.551 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.600 -3.835 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.900 -3.224 -6.222 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.093 -5.077 -5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.872 -4.835 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.835 -6.478 -6.114 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.464 -7.856 -7.920 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.925 -9.206 -7.909 1.00 0.00 C ATOM 1068 C ILE A 71 0.144 -9.333 -8.996 1.00 0.00 C ATOM 1069 O ILE A 71 1.237 -9.837 -8.741 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.052 -10.233 -8.032 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -2.981 -9.892 -9.200 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.816 -10.370 -6.714 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.665 -10.755 -10.422 1.00 0.00 C ATOM 0 H ILE A 71 -1.604 -7.460 -8.850 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.437 -9.414 -6.957 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.606 -11.204 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.018 -10.045 -8.901 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.875 -8.838 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.611 -11.106 -6.829 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.133 -10.694 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.249 -9.407 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.339 -10.492 -11.237 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.635 -10.582 -10.733 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.795 -11.807 -10.168 1.00 0.00 H new ATOM 1191 N ARG A 80 7.650 -4.856 -3.466 1.00 0.00 N ATOM 1192 CA ARG A 80 7.295 -4.107 -2.272 1.00 0.00 C ATOM 1193 C ARG A 80 6.354 -2.954 -2.630 1.00 0.00 C ATOM 1194 O ARG A 80 6.765 -1.991 -3.275 1.00 0.00 O ATOM 1195 CB ARG A 80 8.540 -3.546 -1.583 1.00 0.00 C ATOM 1196 CG ARG A 80 9.475 -2.882 -2.596 1.00 0.00 C ATOM 1197 CD ARG A 80 10.918 -3.350 -2.399 1.00 0.00 C ATOM 1198 NE ARG A 80 11.390 -4.060 -3.609 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.196 -5.366 -3.837 1.00 0.00 C ATOM 1200 NH1 ARG A 80 10.540 -6.113 -2.939 1.00 0.00 N ATOM 1201 NH2 ARG A 80 11.660 -5.926 -4.963 1.00 0.00 N ATOM 0 HA ARG A 80 6.793 -4.791 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.245 -2.820 -0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.067 -4.349 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.147 -3.119 -3.608 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.422 -1.799 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 80 11.562 -2.494 -2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.980 -4.009 -1.533 1.00 0.00 H new ATOM 0 HE ARG A 80 11.894 -3.521 -4.313 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.188 -5.688 -2.081 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.392 -7.107 -3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.161 -5.358 -5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.512 -6.920 -5.137 1.00 0.00 H new ATOM 1215 N ILE A 81 5.111 -3.091 -2.194 1.00 0.00 N ATOM 1216 CA ILE A 81 4.109 -2.073 -2.460 1.00 0.00 C ATOM 1217 C ILE A 81 3.806 -1.312 -1.168 1.00 0.00 C ATOM 1218 O ILE A 81 4.044 -1.820 -0.073 1.00 0.00 O ATOM 1219 CB ILE A 81 2.872 -2.695 -3.111 1.00 0.00 C ATOM 1220 CG1 ILE A 81 3.213 -3.286 -4.481 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.727 -1.683 -3.193 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.859 -4.666 -4.337 1.00 0.00 C ATOM 0 H ILE A 81 4.775 -3.891 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 81 4.487 -1.346 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 81 2.531 -3.516 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.307 -3.365 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.890 -2.617 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.860 -2.151 -3.660 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.463 -1.350 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.041 -0.826 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.091 -5.064 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.777 -4.579 -3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.169 -5.339 -3.828 1.00 0.00 H new ATOM 1234 N TYR A 82 3.285 -0.105 -1.337 1.00 0.00 N ATOM 1235 CA TYR A 82 2.946 0.731 -0.198 1.00 0.00 C ATOM 1236 C TYR A 82 1.744 1.623 -0.511 1.00 0.00 C ATOM 1237 O TYR A 82 1.242 1.623 -1.633 1.00 0.00 O ATOM 1238 CB TYR A 82 4.170 1.614 0.055 1.00 0.00 C ATOM 1239 CG TYR A 82 5.475 0.834 0.228 1.00 0.00 C ATOM 1240 CD1 TYR A 82 6.153 0.369 -0.880 1.00 0.00 C ATOM 1241 CD2 TYR A 82 5.974 0.596 1.493 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.382 -0.365 -0.717 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.202 -0.138 1.656 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.845 -0.582 0.543 1.00 0.00 C ATOM 1245 OH TYR A 82 9.005 -1.275 0.698 1.00 0.00 O ATOM 0 H TYR A 82 3.089 0.314 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 82 2.687 0.118 0.665 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.282 2.309 -0.777 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.995 2.212 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.762 0.555 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.443 0.960 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.923 -0.734 -1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.603 -0.332 2.640 1.00 0.00 H new ATOM 0 HH TYR A 82 9.215 -1.353 1.652 1.00 0.00 H new ATOM 1255 N VAL A 83 1.317 2.363 0.502 1.00 0.00 N ATOM 1256 CA VAL A 83 0.183 3.259 0.350 1.00 0.00 C ATOM 1257 C VAL A 83 0.543 4.632 0.919 1.00 0.00 C ATOM 1258 O VAL A 83 1.042 4.733 2.039 1.00 0.00 O ATOM 1259 CB VAL A 83 -1.058 2.647 1.004 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.725 2.073 2.382 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.190 3.673 1.096 1.00 0.00 C ATOM 0 H VAL A 83 1.736 2.360 1.432 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.056 3.397 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.399 1.826 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.624 1.644 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.034 1.297 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.347 2.868 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.060 3.213 1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.863 4.523 1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.454 4.014 0.095 1.00 0.00 H new ATOM 1271 N TYR A 84 0.277 5.656 0.121 1.00 0.00 N ATOM 1272 CA TYR A 84 0.567 7.020 0.531 1.00 0.00 C ATOM 1273 C TYR A 84 -0.712 7.857 0.594 1.00 0.00 C ATOM 1274 O TYR A 84 -1.688 7.558 -0.092 1.00 0.00 O ATOM 1275 CB TYR A 84 1.488 7.597 -0.546 1.00 0.00 C ATOM 1276 CG TYR A 84 2.933 7.102 -0.460 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.200 5.748 -0.463 1.00 0.00 C ATOM 1278 CD2 TYR A 84 3.970 8.009 -0.380 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.560 5.282 -0.382 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.330 7.543 -0.299 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.558 6.203 -0.304 1.00 0.00 C ATOM 1282 OH TYR A 84 6.842 5.762 -0.228 1.00 0.00 O ATOM 0 H TYR A 84 -0.136 5.569 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 84 1.022 7.035 1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.086 7.344 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.482 8.684 -0.470 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.389 5.038 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.761 9.069 -0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.783 4.225 -0.383 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.150 8.242 -0.236 1.00 0.00 H new ATOM 0 HH TYR A 84 6.922 4.906 -0.698 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.665 8.889 1.423 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.807 9.772 1.585 1.00 0.00 C ATOM 1294 C ARG A 85 -1.672 10.989 0.667 1.00 0.00 C ATOM 1295 O ARG A 85 -0.610 11.605 0.600 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.937 10.246 3.034 1.00 0.00 C ATOM 1297 CG ARG A 85 -0.598 10.767 3.561 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.784 12.075 4.332 1.00 0.00 C ATOM 1299 NE ARG A 85 0.429 12.913 4.208 1.00 0.00 N ATOM 1300 CZ ARG A 85 1.538 12.742 4.940 1.00 0.00 C ATOM 1301 NH1 ARG A 85 1.594 11.764 5.853 1.00 0.00 N ATOM 1302 NH2 ARG A 85 2.592 13.550 4.759 1.00 0.00 N ATOM 0 H ARG A 85 0.147 9.134 1.990 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.701 9.209 1.318 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.688 11.033 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.284 9.424 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -0.143 10.019 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.088 10.926 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.649 12.614 3.946 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.983 11.862 5.382 1.00 0.00 H new ATOM 0 HE ARG A 85 0.420 13.668 3.522 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.792 11.149 5.991 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.439 11.634 6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.550 14.295 4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.436 13.420 5.316 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.764 11.298 -0.017 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.780 12.430 -0.928 1.00 0.00 C ATOM 1318 C LYS A 86 -2.805 13.729 -0.120 1.00 0.00 C ATOM 1319 O LYS A 86 -3.204 13.733 1.044 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.937 12.302 -1.921 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.769 11.063 -2.802 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.933 11.415 -4.282 1.00 0.00 C ATOM 1323 CE LYS A 86 -2.578 11.712 -4.928 1.00 0.00 C ATOM 1324 NZ LYS A 86 -2.032 10.495 -5.569 1.00 0.00 N ATOM 0 H LYS A 86 -3.643 10.785 0.041 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.872 12.446 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.881 12.242 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.984 13.194 -2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.785 10.625 -2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.505 10.310 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.416 10.589 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.586 12.282 -4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.688 12.503 -5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.881 12.077 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.112 10.714 -6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.909 9.751 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.691 10.164 -6.303 1.00 0.00 H new ATOM 1424 N ASN A 93 3.538 11.263 0.310 1.00 0.00 N ATOM 1425 CA ASN A 93 4.619 11.272 1.281 1.00 0.00 C ATOM 1426 C ASN A 93 4.611 9.955 2.059 1.00 0.00 C ATOM 1427 O ASN A 93 3.558 9.345 2.242 1.00 0.00 O ATOM 1428 CB ASN A 93 4.449 12.415 2.284 1.00 0.00 C ATOM 1429 CG ASN A 93 4.777 13.763 1.639 1.00 0.00 C ATOM 1430 OD1 ASN A 93 5.836 14.335 1.840 1.00 0.00 O ATOM 1431 ND2 ASN A 93 3.812 14.238 0.857 1.00 0.00 N ATOM 0 HA ASN A 93 5.557 11.403 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.425 12.426 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.100 12.250 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.934 15.132 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.950 13.708 0.732 1.00 0.00 H new ATOM 1438 N PRO A 94 5.827 9.544 2.507 1.00 0.00 N ATOM 1439 CA PRO A 94 5.969 8.310 3.261 1.00 0.00 C ATOM 1440 C PRO A 94 5.460 8.482 4.694 1.00 0.00 C ATOM 1441 O PRO A 94 6.060 9.205 5.487 1.00 0.00 O ATOM 1442 CB PRO A 94 7.450 7.976 3.193 1.00 0.00 C ATOM 1443 CG PRO A 94 8.152 9.267 2.804 1.00 0.00 C ATOM 1444 CD PRO A 94 7.095 10.241 2.309 1.00 0.00 C ATOM 0 HA PRO A 94 5.371 7.495 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.812 7.609 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.640 7.192 2.460 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.685 9.684 3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.893 9.080 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.125 11.176 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.249 10.493 1.260 1.00 0.00 H new ATOM 1452 N PHE A 95 4.359 7.804 4.982 1.00 0.00 N ATOM 1453 CA PHE A 95 3.763 7.872 6.305 1.00 0.00 C ATOM 1454 C PHE A 95 4.831 7.759 7.394 1.00 0.00 C ATOM 1455 O PHE A 95 5.972 7.393 7.115 1.00 0.00 O ATOM 1456 CB PHE A 95 2.803 6.687 6.425 1.00 0.00 C ATOM 1457 CG PHE A 95 1.367 7.004 6.002 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.672 7.986 6.636 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.785 6.304 4.991 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.660 8.280 6.244 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.547 6.598 4.598 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.242 7.580 5.233 1.00 0.00 C ATOM 0 H PHE A 95 3.864 7.205 4.322 1.00 0.00 H new ATOM 0 HA PHE A 95 3.251 8.826 6.433 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.178 5.866 5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.798 6.340 7.458 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.134 8.542 7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.337 5.524 4.487 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.212 9.060 6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.008 6.042 3.795 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.256 7.804 4.935 1.00 0.00 H new