USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 113 ASN : amide:sc= -0.924 K(o=-0.92,f=-3.6!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot 180:sc= -2.21 USER MOD Set 2.2: A 83 THR OG1 : rot 87:sc= 0.647 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 148:sc= -0.079 (180deg=-0.9) USER MOD Single : A 27 ASN : amide:sc= -2.91 K(o=-2.9,f=-13!) USER MOD Single : A 36 THR OG1 : rot -130:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.457 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -6.05! C(o=-6.1!,f=-7.8!) USER MOD Single : A 44 THR OG1 : rot 40:sc= 0.41 USER MOD Single : A 46 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 55 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 57 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.23) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -4.64! C(o=-4.6!,f=-6.3!) USER MOD Single : A 77 SER OG : rot 23:sc=0.000182 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 36:sc= 1.02 USER MOD Single : A 93 HIS :FLIP no HE2:sc= -3.55 F(o=-4.4!,f=-3.6) USER MOD Single : A 95 CYS SG : rot 170:sc= -0.606 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 149:sc= -0.833 (180deg=-2.66!) USER MOD Single : A 115 THR OG1 : rot -19:sc= 0.621 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.197 6.583 9.320 1.00 0.00 N ATOM 67 CA LEU A 8 -0.870 5.327 9.005 1.00 0.00 C ATOM 68 C LEU A 8 -1.913 5.528 7.910 1.00 0.00 C ATOM 69 O LEU A 8 -2.432 6.628 7.727 1.00 0.00 O ATOM 70 CB LEU A 8 -1.534 4.754 10.259 1.00 0.00 C ATOM 71 CG LEU A 8 -2.229 3.402 10.091 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.212 2.314 9.785 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.026 3.054 11.340 1.00 0.00 C ATOM 0 HA LEU A 8 -0.121 4.622 8.643 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.775 4.656 11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.268 5.475 10.619 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.920 3.471 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.725 1.359 9.669 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.685 2.558 8.863 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.496 2.244 10.604 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.514 2.089 11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.355 3.003 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.781 3.821 11.515 1.00 0.00 H new ATOM 85 N VAL A 9 -2.216 4.455 7.186 1.00 0.00 N ATOM 86 CA VAL A 9 -3.199 4.512 6.110 1.00 0.00 C ATOM 87 C VAL A 9 -4.258 3.428 6.276 1.00 0.00 C ATOM 88 O VAL A 9 -5.456 3.712 6.288 1.00 0.00 O ATOM 89 CB VAL A 9 -2.532 4.356 4.731 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.562 4.499 3.620 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.411 5.370 4.564 1.00 0.00 C ATOM 0 H VAL A 9 -1.795 3.536 7.325 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.674 5.492 6.166 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.100 3.357 4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.072 4.386 2.653 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.327 3.730 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.026 5.484 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.951 5.245 3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.817 6.378 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.661 5.214 5.339 1.00 0.00 H new ATOM 101 N ARG A 10 -3.809 2.184 6.405 1.00 0.00 N ATOM 102 CA ARG A 10 -4.718 1.056 6.569 1.00 0.00 C ATOM 103 C ARG A 10 -3.982 -0.159 7.127 1.00 0.00 C ATOM 104 O ARG A 10 -2.760 -0.260 7.022 1.00 0.00 O ATOM 105 CB ARG A 10 -5.371 0.700 5.233 1.00 0.00 C ATOM 106 CG ARG A 10 -6.572 -0.221 5.367 1.00 0.00 C ATOM 107 CD ARG A 10 -7.378 -0.278 4.079 1.00 0.00 C ATOM 108 NE ARG A 10 -8.412 0.752 4.034 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.236 0.921 3.006 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.149 0.132 1.945 1.00 0.00 N ATOM 111 NH2 ARG A 10 -10.152 1.881 3.040 1.00 0.00 N ATOM 0 H ARG A 10 -2.821 1.932 6.399 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.493 1.347 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.682 1.618 4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.629 0.224 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.235 -1.223 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.209 0.126 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.709 -0.157 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.841 -1.260 3.984 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.507 1.376 4.836 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.448 -0.608 1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.783 0.265 1.157 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.223 2.489 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.785 2.011 2.250 1.00 0.00 H new ATOM 125 N GLY A 11 -4.735 -1.079 7.723 1.00 0.00 N ATOM 126 CA GLY A 11 -4.137 -2.274 8.289 1.00 0.00 C ATOM 127 C GLY A 11 -4.913 -3.529 7.945 1.00 0.00 C ATOM 128 O GLY A 11 -5.375 -3.692 6.816 1.00 0.00 O ATOM 0 H GLY A 11 -5.748 -1.018 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.114 -2.372 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.081 -2.170 9.373 1.00 0.00 H new ATOM 132 N GLY A 12 -5.055 -4.422 8.920 1.00 0.00 N ATOM 133 CA GLY A 12 -5.780 -5.659 8.694 1.00 0.00 C ATOM 134 C GLY A 12 -4.858 -6.855 8.564 1.00 0.00 C ATOM 135 O GLY A 12 -3.636 -6.707 8.556 1.00 0.00 O ATOM 0 H GLY A 12 -4.681 -4.311 9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.473 -5.826 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.379 -5.565 7.788 1.00 0.00 H new ATOM 139 N TRP A 13 -5.443 -8.042 8.464 1.00 0.00 N ATOM 140 CA TRP A 13 -4.665 -9.270 8.336 1.00 0.00 C ATOM 141 C TRP A 13 -4.805 -9.859 6.937 1.00 0.00 C ATOM 142 O TRP A 13 -5.873 -9.789 6.327 1.00 0.00 O ATOM 143 CB TRP A 13 -5.113 -10.293 9.381 1.00 0.00 C ATOM 144 CG TRP A 13 -4.698 -9.937 10.777 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.208 -8.937 11.553 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.685 -10.578 11.559 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.573 -8.917 12.772 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.635 -9.915 12.801 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.816 -11.649 11.333 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.751 -10.289 13.809 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.939 -12.019 12.334 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.912 -11.341 13.560 1.00 0.00 C ATOM 0 H TRP A 13 -6.453 -8.181 8.469 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.616 -9.026 8.504 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.198 -10.387 9.345 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.700 -11.269 9.124 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.995 -8.261 11.253 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.768 -8.265 13.532 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.830 -12.178 10.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.728 -9.767 14.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.263 -12.845 12.169 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.215 -11.655 14.323 1.00 0.00 H new ATOM 163 N LEU A 14 -3.722 -10.440 6.433 1.00 0.00 N ATOM 164 CA LEU A 14 -3.724 -11.042 5.105 1.00 0.00 C ATOM 165 C LEU A 14 -2.864 -12.302 5.077 1.00 0.00 C ATOM 166 O LEU A 14 -1.789 -12.345 5.673 1.00 0.00 O ATOM 167 CB LEU A 14 -3.214 -10.040 4.068 1.00 0.00 C ATOM 168 CG LEU A 14 -4.144 -8.868 3.754 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.399 -7.786 2.987 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.356 -9.344 2.966 1.00 0.00 C ATOM 0 H LEU A 14 -2.831 -10.507 6.925 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.750 -11.318 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.262 -9.639 4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.013 -10.577 3.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.492 -8.443 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.077 -6.960 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.564 -7.424 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.021 -8.198 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.007 -8.496 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.027 -9.795 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.904 -10.083 3.552 1.00 0.00 H new ATOM 182 N TRP A 15 -3.346 -13.325 4.379 1.00 0.00 N ATOM 183 CA TRP A 15 -2.620 -14.585 4.271 1.00 0.00 C ATOM 184 C TRP A 15 -1.481 -14.473 3.263 1.00 0.00 C ATOM 185 O TRP A 15 -1.699 -14.120 2.104 1.00 0.00 O ATOM 186 CB TRP A 15 -3.570 -15.711 3.863 1.00 0.00 C ATOM 187 CG TRP A 15 -4.640 -15.984 4.877 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.901 -15.460 4.899 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.540 -16.843 6.018 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.591 -15.943 5.985 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.779 -16.794 6.686 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.525 -17.651 6.538 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -6.027 -17.521 7.848 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.773 -18.372 7.691 1.00 0.00 C ATOM 195 CH2 TRP A 15 -5.016 -18.303 8.335 1.00 0.00 C ATOM 0 H TRP A 15 -4.235 -13.306 3.880 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.194 -14.815 5.248 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.038 -15.455 2.912 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.993 -16.622 3.700 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.297 -14.768 4.171 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.553 -15.706 6.229 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.564 -17.711 6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.984 -17.469 8.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.996 -18.999 8.103 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.179 -18.879 9.234 1.00 0.00 H new ATOM 206 N ARG A 16 -0.268 -14.777 3.712 1.00 0.00 N ATOM 207 CA ARG A 16 0.905 -14.710 2.848 1.00 0.00 C ATOM 208 C ARG A 16 1.562 -16.080 2.715 1.00 0.00 C ATOM 209 O ARG A 16 1.653 -16.832 3.685 1.00 0.00 O ATOM 210 CB ARG A 16 1.914 -13.700 3.400 1.00 0.00 C ATOM 211 CG ARG A 16 3.276 -13.772 2.729 1.00 0.00 C ATOM 212 CD ARG A 16 4.230 -12.731 3.294 1.00 0.00 C ATOM 213 NE ARG A 16 4.924 -13.213 4.485 1.00 0.00 N ATOM 214 CZ ARG A 16 5.832 -14.183 4.465 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.155 -14.770 3.321 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.420 -14.566 5.591 1.00 0.00 N ATOM 0 H ARG A 16 -0.071 -15.072 4.668 1.00 0.00 H new ATOM 0 HA ARG A 16 0.579 -14.385 1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.512 -12.694 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.036 -13.869 4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.699 -14.767 2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.163 -13.619 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.962 -12.459 2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.675 -11.826 3.540 1.00 0.00 H new ATOM 0 HE ARG A 16 4.699 -12.781 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.706 -14.477 2.453 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.852 -15.514 3.309 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.175 -14.116 6.473 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.117 -15.311 5.575 1.00 0.00 H new ATOM 230 N GLN A 17 2.017 -16.398 1.507 1.00 0.00 N ATOM 231 CA GLN A 17 2.664 -17.679 1.247 1.00 0.00 C ATOM 232 C GLN A 17 4.059 -17.718 1.861 1.00 0.00 C ATOM 233 O GLN A 17 4.604 -16.687 2.255 1.00 0.00 O ATOM 234 CB GLN A 17 2.749 -17.935 -0.259 1.00 0.00 C ATOM 235 CG GLN A 17 2.788 -19.410 -0.623 1.00 0.00 C ATOM 236 CD GLN A 17 2.281 -19.678 -2.026 1.00 0.00 C ATOM 237 OE1 GLN A 17 3.023 -19.554 -3.001 1.00 0.00 O ATOM 238 NE2 GLN A 17 1.010 -20.048 -2.136 1.00 0.00 N ATOM 0 H GLN A 17 1.950 -15.787 0.693 1.00 0.00 H new ATOM 0 HA GLN A 17 2.062 -18.462 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.892 -17.471 -0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.642 -17.448 -0.652 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.811 -19.775 -0.535 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.186 -19.973 0.091 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.431 -20.138 -1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.613 -20.242 -3.055 1.00 0.00 H new ATOM 331 N ARG A 23 3.221 -22.944 3.048 1.00 0.00 N ATOM 332 CA ARG A 23 1.850 -22.810 3.524 1.00 0.00 C ATOM 333 C ARG A 23 1.546 -21.365 3.908 1.00 0.00 C ATOM 334 O ARG A 23 2.367 -20.692 4.530 1.00 0.00 O ATOM 335 CB ARG A 23 1.613 -23.729 4.724 1.00 0.00 C ATOM 336 CG ARG A 23 0.184 -23.697 5.242 1.00 0.00 C ATOM 337 CD ARG A 23 -0.784 -24.309 4.242 1.00 0.00 C ATOM 338 NE ARG A 23 -2.112 -24.509 4.817 1.00 0.00 N ATOM 339 CZ ARG A 23 -3.219 -24.613 4.091 1.00 0.00 C ATOM 340 NH1 ARG A 23 -3.159 -24.536 2.769 1.00 0.00 N ATOM 341 NH2 ARG A 23 -4.390 -24.794 4.688 1.00 0.00 N ATOM 0 HA ARG A 23 1.181 -23.100 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.866 -24.751 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.289 -23.443 5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.126 -24.239 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.107 -22.667 5.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.861 -23.661 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.391 -25.265 3.896 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.193 -24.572 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.261 -24.396 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.011 -24.616 2.214 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.440 -24.853 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.240 -24.874 4.130 1.00 0.00 H new ATOM 355 N TRP A 24 0.362 -20.896 3.532 1.00 0.00 N ATOM 356 CA TRP A 24 -0.050 -19.530 3.836 1.00 0.00 C ATOM 357 C TRP A 24 0.098 -19.236 5.325 1.00 0.00 C ATOM 358 O TRP A 24 0.004 -20.136 6.159 1.00 0.00 O ATOM 359 CB TRP A 24 -1.499 -19.304 3.401 1.00 0.00 C ATOM 360 CG TRP A 24 -1.703 -19.437 1.922 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.797 -20.598 1.209 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.836 -18.371 0.976 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.981 -20.317 -0.123 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.009 -18.958 -0.292 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.828 -16.977 1.077 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.170 -18.199 -1.448 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.988 -16.225 -0.071 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.158 -16.837 -1.320 1.00 0.00 C ATOM 0 H TRP A 24 -0.329 -21.441 3.017 1.00 0.00 H new ATOM 0 HA TRP A 24 0.598 -18.850 3.284 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.141 -20.020 3.915 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.814 -18.309 3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.736 -21.591 1.630 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.081 -21.009 -0.866 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.699 -16.496 2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.300 -18.669 -2.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.982 -15.147 -0.005 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.282 -16.221 -2.199 1.00 0.00 H new ATOM 379 N LYS A 25 0.331 -17.969 5.653 1.00 0.00 N ATOM 380 CA LYS A 25 0.491 -17.555 7.041 1.00 0.00 C ATOM 381 C LYS A 25 -0.221 -16.231 7.300 1.00 0.00 C ATOM 382 O LYS A 25 -0.272 -15.363 6.428 1.00 0.00 O ATOM 383 CB LYS A 25 1.976 -17.424 7.388 1.00 0.00 C ATOM 384 CG LYS A 25 2.636 -16.198 6.781 1.00 0.00 C ATOM 385 CD LYS A 25 3.958 -15.881 7.461 1.00 0.00 C ATOM 386 CE LYS A 25 3.765 -14.942 8.642 1.00 0.00 C ATOM 387 NZ LYS A 25 3.490 -15.686 9.903 1.00 0.00 N ATOM 0 H LYS A 25 0.413 -17.211 4.975 1.00 0.00 H new ATOM 0 HA LYS A 25 0.042 -18.319 7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.085 -17.386 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.501 -18.316 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.804 -16.364 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.966 -15.342 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.424 -16.805 7.802 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.639 -15.427 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.658 -14.330 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.939 -14.262 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.883 -15.160 10.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.463 -15.792 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.932 -16.626 9.855 1.00 0.00 H new ATOM 401 N ARG A 26 -0.767 -16.083 8.502 1.00 0.00 N ATOM 402 CA ARG A 26 -1.475 -14.864 8.875 1.00 0.00 C ATOM 403 C ARG A 26 -0.493 -13.757 9.247 1.00 0.00 C ATOM 404 O ARG A 26 0.315 -13.912 10.162 1.00 0.00 O ATOM 405 CB ARG A 26 -2.421 -15.136 10.046 1.00 0.00 C ATOM 406 CG ARG A 26 -3.810 -15.578 9.616 1.00 0.00 C ATOM 407 CD ARG A 26 -4.506 -16.372 10.711 1.00 0.00 C ATOM 408 NE ARG A 26 -5.057 -15.506 11.749 1.00 0.00 N ATOM 409 CZ ARG A 26 -6.245 -14.918 11.661 1.00 0.00 C ATOM 410 NH1 ARG A 26 -7.002 -15.103 10.589 1.00 0.00 N ATOM 411 NH2 ARG A 26 -6.678 -14.143 12.648 1.00 0.00 N ATOM 0 H ARG A 26 -0.733 -16.792 9.235 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.058 -14.535 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.985 -15.905 10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.507 -14.233 10.650 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.409 -14.703 9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.737 -16.186 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.307 -16.968 10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.798 -17.069 11.159 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.499 -15.344 12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.673 -15.698 9.829 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.914 -14.650 10.524 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.098 -13.999 13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.590 -13.692 12.580 1.00 0.00 H new ATOM 425 N ASN A 27 -0.570 -12.640 8.531 1.00 0.00 N ATOM 426 CA ASN A 27 0.312 -11.507 8.785 1.00 0.00 C ATOM 427 C ASN A 27 -0.481 -10.206 8.860 1.00 0.00 C ATOM 428 O ASN A 27 -1.651 -10.158 8.482 1.00 0.00 O ATOM 429 CB ASN A 27 1.376 -11.406 7.690 1.00 0.00 C ATOM 430 CG ASN A 27 2.601 -10.635 8.143 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.530 -9.434 8.405 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.732 -11.324 8.236 1.00 0.00 N ATOM 0 H ASN A 27 -1.234 -12.495 7.770 1.00 0.00 H new ATOM 0 HA ASN A 27 0.802 -11.669 9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.674 -12.409 7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.947 -10.919 6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.589 -10.859 8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.744 -12.318 8.009 1.00 0.00 H new ATOM 439 N TRP A 28 0.164 -9.154 9.350 1.00 0.00 N ATOM 440 CA TRP A 28 -0.481 -7.851 9.475 1.00 0.00 C ATOM 441 C TRP A 28 0.255 -6.799 8.652 1.00 0.00 C ATOM 442 O TRP A 28 1.331 -6.339 9.034 1.00 0.00 O ATOM 443 CB TRP A 28 -0.533 -7.423 10.942 1.00 0.00 C ATOM 444 CG TRP A 28 -1.035 -6.024 11.135 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.339 -5.621 11.184 1.00 0.00 C ATOM 446 CD2 TRP A 28 -0.241 -4.845 11.303 1.00 0.00 C ATOM 447 NE1 TRP A 28 -2.403 -4.261 11.372 1.00 0.00 N ATOM 448 CE2 TRP A 28 -1.130 -3.762 11.449 1.00 0.00 C ATOM 449 CE3 TRP A 28 1.133 -4.598 11.347 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -0.687 -2.455 11.634 1.00 0.00 C ATOM 451 CZ3 TRP A 28 1.572 -3.300 11.530 1.00 0.00 C ATOM 452 CH2 TRP A 28 0.665 -2.242 11.672 1.00 0.00 C ATOM 0 H TRP A 28 1.133 -9.177 9.667 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.498 -7.939 9.093 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.176 -8.111 11.491 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.465 -7.506 11.373 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.194 -6.274 11.089 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.260 -3.712 11.443 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.840 -5.407 11.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -1.385 -1.638 11.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.632 -3.098 11.564 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.039 -1.239 11.814 1.00 0.00 H new ATOM 463 N PHE A 29 -0.333 -6.422 7.521 1.00 0.00 N ATOM 464 CA PHE A 29 0.268 -5.424 6.643 1.00 0.00 C ATOM 465 C PHE A 29 -0.212 -4.021 7.006 1.00 0.00 C ATOM 466 O PHE A 29 -1.351 -3.835 7.434 1.00 0.00 O ATOM 467 CB PHE A 29 -0.070 -5.729 5.183 1.00 0.00 C ATOM 468 CG PHE A 29 0.693 -6.894 4.622 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.340 -8.193 4.949 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.765 -6.691 3.767 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.040 -9.268 4.434 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.469 -7.761 3.249 1.00 0.00 C ATOM 473 CZ PHE A 29 2.106 -9.052 3.584 1.00 0.00 C ATOM 0 H PHE A 29 -1.224 -6.792 7.191 1.00 0.00 H new ATOM 0 HA PHE A 29 1.349 -5.464 6.774 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.138 -5.931 5.100 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.135 -4.845 4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.492 -8.368 5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.053 -5.684 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.753 -10.276 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.302 -7.589 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.655 -9.890 3.181 1.00 0.00 H new ATOM 483 N ALA A 30 0.665 -3.039 6.832 1.00 0.00 N ATOM 484 CA ALA A 30 0.331 -1.653 7.140 1.00 0.00 C ATOM 485 C ALA A 30 1.033 -0.695 6.184 1.00 0.00 C ATOM 486 O ALA A 30 2.244 -0.783 5.977 1.00 0.00 O ATOM 487 CB ALA A 30 0.699 -1.329 8.580 1.00 0.00 C ATOM 0 H ALA A 30 1.612 -3.176 6.480 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.744 -1.527 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.444 -0.291 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.148 -1.986 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.769 -1.477 8.724 1.00 0.00 H new ATOM 493 N LEU A 31 0.266 0.220 5.602 1.00 0.00 N ATOM 494 CA LEU A 31 0.814 1.196 4.667 1.00 0.00 C ATOM 495 C LEU A 31 1.079 2.528 5.361 1.00 0.00 C ATOM 496 O LEU A 31 0.233 3.032 6.100 1.00 0.00 O ATOM 497 CB LEU A 31 -0.145 1.402 3.493 1.00 0.00 C ATOM 498 CG LEU A 31 0.281 2.437 2.451 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.403 1.889 1.582 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.906 2.851 1.594 1.00 0.00 C ATOM 0 H LEU A 31 -0.738 0.306 5.761 1.00 0.00 H new ATOM 0 HA LEU A 31 1.761 0.809 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.282 0.445 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.117 1.695 3.891 1.00 0.00 H new ATOM 0 HG LEU A 31 0.651 3.319 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.693 2.639 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.261 1.644 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.060 0.991 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.584 3.588 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.307 1.977 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.679 3.285 2.228 1.00 0.00 H new ATOM 512 N TRP A 32 2.256 3.092 5.118 1.00 0.00 N ATOM 513 CA TRP A 32 2.631 4.368 5.719 1.00 0.00 C ATOM 514 C TRP A 32 2.604 5.486 4.684 1.00 0.00 C ATOM 515 O TRP A 32 2.772 5.243 3.488 1.00 0.00 O ATOM 516 CB TRP A 32 4.022 4.269 6.347 1.00 0.00 C ATOM 517 CG TRP A 32 4.172 3.107 7.281 1.00 0.00 C ATOM 518 CD1 TRP A 32 4.913 1.979 7.074 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.563 2.959 8.569 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.802 1.139 8.156 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.980 1.717 9.086 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.709 3.756 9.336 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.570 1.255 10.334 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.302 3.296 10.574 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.733 2.056 11.064 1.00 0.00 C ATOM 0 H TRP A 32 2.967 2.687 4.510 1.00 0.00 H new ATOM 0 HA TRP A 32 1.905 4.603 6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.765 4.187 5.554 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.234 5.191 6.889 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.500 1.777 6.190 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.258 0.232 8.251 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.373 4.714 8.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.900 0.299 10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.640 3.903 11.174 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.399 1.726 12.036 1.00 0.00 H new ATOM 536 N LEU A 33 2.393 6.712 5.149 1.00 0.00 N ATOM 537 CA LEU A 33 2.345 7.870 4.262 1.00 0.00 C ATOM 538 C LEU A 33 3.660 8.031 3.505 1.00 0.00 C ATOM 539 O LEU A 33 3.677 8.475 2.358 1.00 0.00 O ATOM 540 CB LEU A 33 2.045 9.138 5.062 1.00 0.00 C ATOM 541 CG LEU A 33 0.682 9.189 5.754 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.161 10.617 5.801 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.310 8.281 5.043 1.00 0.00 C ATOM 0 H LEU A 33 2.252 6.931 6.135 1.00 0.00 H new ATOM 0 HA LEU A 33 1.547 7.709 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.819 9.257 5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.122 9.993 4.391 1.00 0.00 H new ATOM 0 HG LEU A 33 0.801 8.834 6.777 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.810 10.634 6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.862 11.242 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.057 11.000 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.274 8.329 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.425 8.607 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.058 7.255 5.061 1.00 0.00 H new ATOM 555 N ASP A 34 4.759 7.664 4.155 1.00 0.00 N ATOM 556 CA ASP A 34 6.079 7.765 3.543 1.00 0.00 C ATOM 557 C ASP A 34 6.128 6.993 2.228 1.00 0.00 C ATOM 558 O ASP A 34 7.039 7.177 1.422 1.00 0.00 O ATOM 559 CB ASP A 34 7.150 7.237 4.499 1.00 0.00 C ATOM 560 CG ASP A 34 7.158 7.976 5.823 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.696 9.136 5.859 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.626 7.394 6.824 1.00 0.00 O ATOM 0 H ASP A 34 4.762 7.294 5.105 1.00 0.00 H new ATOM 0 HA ASP A 34 6.276 8.816 3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.981 6.175 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.129 7.328 4.029 1.00 0.00 H new ATOM 567 N GLY A 35 5.142 6.126 2.020 1.00 0.00 N ATOM 568 CA GLY A 35 5.092 5.338 0.802 1.00 0.00 C ATOM 569 C GLY A 35 5.816 4.013 0.939 1.00 0.00 C ATOM 570 O GLY A 35 6.492 3.566 0.011 1.00 0.00 O ATOM 0 H GLY A 35 4.377 5.955 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.052 5.154 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.535 5.908 -0.014 1.00 0.00 H new ATOM 574 N THR A 36 5.678 3.382 2.101 1.00 0.00 N ATOM 575 CA THR A 36 6.326 2.102 2.358 1.00 0.00 C ATOM 576 C THR A 36 5.322 1.066 2.850 1.00 0.00 C ATOM 577 O THR A 36 4.331 1.406 3.498 1.00 0.00 O ATOM 578 CB THR A 36 7.454 2.242 3.397 1.00 0.00 C ATOM 579 OG1 THR A 36 6.946 2.844 4.593 1.00 0.00 O ATOM 580 CG2 THR A 36 8.596 3.083 2.847 1.00 0.00 C ATOM 0 H THR A 36 5.123 3.737 2.879 1.00 0.00 H new ATOM 0 HA THR A 36 6.753 1.769 1.412 1.00 0.00 H new ATOM 0 HB THR A 36 7.834 1.246 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.527 3.588 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.381 3.168 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.000 2.608 1.953 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.227 4.077 2.594 1.00 0.00 H new ATOM 588 N LEU A 37 5.584 -0.199 2.541 1.00 0.00 N ATOM 589 CA LEU A 37 4.703 -1.286 2.953 1.00 0.00 C ATOM 590 C LEU A 37 5.434 -2.261 3.871 1.00 0.00 C ATOM 591 O LEU A 37 6.359 -2.953 3.447 1.00 0.00 O ATOM 592 CB LEU A 37 4.166 -2.026 1.727 1.00 0.00 C ATOM 593 CG LEU A 37 2.854 -2.785 1.923 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.681 -1.819 1.975 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.657 -3.806 0.812 1.00 0.00 C ATOM 0 H LEU A 37 6.400 -0.497 2.006 1.00 0.00 H new ATOM 0 HA LEU A 37 3.867 -0.855 3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.028 -1.303 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.925 -2.733 1.393 1.00 0.00 H new ATOM 0 HG LEU A 37 2.903 -3.317 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.756 -2.378 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.816 -1.127 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.629 -1.259 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.718 -4.337 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.630 -3.295 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.482 -4.518 0.822 1.00 0.00 H new ATOM 607 N GLY A 38 5.011 -2.310 5.130 1.00 0.00 N ATOM 608 CA GLY A 38 5.635 -3.205 6.087 1.00 0.00 C ATOM 609 C GLY A 38 4.661 -4.222 6.650 1.00 0.00 C ATOM 610 O GLY A 38 3.513 -3.894 6.948 1.00 0.00 O ATOM 0 H GLY A 38 4.248 -1.746 5.504 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.463 -3.726 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.058 -2.621 6.904 1.00 0.00 H new ATOM 614 N TYR A 39 5.120 -5.460 6.794 1.00 0.00 N ATOM 615 CA TYR A 39 4.281 -6.530 7.321 1.00 0.00 C ATOM 616 C TYR A 39 4.900 -7.143 8.573 1.00 0.00 C ATOM 617 O TYR A 39 5.973 -7.744 8.518 1.00 0.00 O ATOM 618 CB TYR A 39 4.072 -7.612 6.260 1.00 0.00 C ATOM 619 CG TYR A 39 5.343 -8.017 5.549 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.825 -7.281 4.473 1.00 0.00 C ATOM 621 CD2 TYR A 39 6.062 -9.135 5.953 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.987 -7.648 3.820 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.225 -9.508 5.307 1.00 0.00 C ATOM 624 CZ TYR A 39 7.683 -8.762 4.241 1.00 0.00 C ATOM 625 OH TYR A 39 8.840 -9.131 3.594 1.00 0.00 O ATOM 0 H TYR A 39 6.069 -5.748 6.553 1.00 0.00 H new ATOM 0 HA TYR A 39 3.315 -6.101 7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.634 -8.491 6.732 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.353 -7.253 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.283 -6.408 4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.706 -9.723 6.786 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.348 -7.066 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.773 -10.379 5.635 1.00 0.00 H new ATOM 0 HH TYR A 39 9.208 -9.936 4.015 1.00 0.00 H new ATOM 635 N TYR A 40 4.216 -6.987 9.700 1.00 0.00 N ATOM 636 CA TYR A 40 4.698 -7.522 10.968 1.00 0.00 C ATOM 637 C TYR A 40 3.970 -8.814 11.326 1.00 0.00 C ATOM 638 O TYR A 40 2.928 -9.133 10.752 1.00 0.00 O ATOM 639 CB TYR A 40 4.514 -6.493 12.084 1.00 0.00 C ATOM 640 CG TYR A 40 5.148 -5.154 11.784 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.604 -4.304 10.828 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.292 -4.738 12.454 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.180 -3.080 10.550 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.874 -3.515 12.183 1.00 0.00 C ATOM 645 CZ TYR A 40 6.315 -2.690 11.230 1.00 0.00 C ATOM 646 OH TYR A 40 6.893 -1.471 10.956 1.00 0.00 O ATOM 0 H TYR A 40 3.325 -6.494 9.762 1.00 0.00 H new ATOM 0 HA TYR A 40 5.760 -7.743 10.859 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.448 -6.349 12.262 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.940 -6.889 13.006 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.716 -4.606 10.293 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.734 -5.382 13.200 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.744 -2.432 9.804 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.762 -3.207 12.715 1.00 0.00 H new ATOM 0 HH TYR A 40 7.684 -1.349 11.522 1.00 0.00 H new ATOM 656 N HIS A 41 4.525 -9.554 12.280 1.00 0.00 N ATOM 657 CA HIS A 41 3.929 -10.811 12.718 1.00 0.00 C ATOM 658 C HIS A 41 2.539 -10.578 13.303 1.00 0.00 C ATOM 659 O HIS A 41 1.562 -11.190 12.871 1.00 0.00 O ATOM 660 CB HIS A 41 4.824 -11.492 13.753 1.00 0.00 C ATOM 661 CG HIS A 41 4.076 -12.380 14.700 1.00 0.00 C ATOM 662 ND1 HIS A 41 3.139 -13.302 14.285 1.00 0.00 N ATOM 663 CD2 HIS A 41 4.134 -12.484 16.048 1.00 0.00 C ATOM 664 CE1 HIS A 41 2.651 -13.934 15.338 1.00 0.00 C ATOM 665 NE2 HIS A 41 3.238 -13.456 16.420 1.00 0.00 N ATOM 0 H HIS A 41 5.387 -9.305 12.765 1.00 0.00 H new ATOM 0 HA HIS A 41 3.834 -11.462 11.849 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.580 -12.082 13.235 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.351 -10.728 14.324 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.767 -11.910 16.708 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.900 -14.710 15.317 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.056 -13.759 17.377 1.00 0.00 H new ATOM 674 N ASP A 42 2.459 -9.691 14.289 1.00 0.00 N ATOM 675 CA ASP A 42 1.189 -9.377 14.933 1.00 0.00 C ATOM 676 C ASP A 42 0.965 -7.869 14.986 1.00 0.00 C ATOM 677 O ASP A 42 1.791 -7.093 14.509 1.00 0.00 O ATOM 678 CB ASP A 42 1.153 -9.961 16.347 1.00 0.00 C ATOM 679 CG ASP A 42 1.104 -11.476 16.347 1.00 0.00 C ATOM 680 OD1 ASP A 42 0.784 -12.059 15.290 1.00 0.00 O ATOM 681 OD2 ASP A 42 1.384 -12.079 17.404 1.00 0.00 O ATOM 0 H ASP A 42 3.258 -9.177 14.659 1.00 0.00 H new ATOM 0 HA ASP A 42 0.389 -9.824 14.343 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.034 -9.629 16.897 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.282 -9.572 16.875 1.00 0.00 H new ATOM 686 N GLU A 43 -0.159 -7.463 15.568 1.00 0.00 N ATOM 687 CA GLU A 43 -0.493 -6.048 15.681 1.00 0.00 C ATOM 688 C GLU A 43 0.696 -5.250 16.209 1.00 0.00 C ATOM 689 O GLU A 43 0.870 -4.078 15.873 1.00 0.00 O ATOM 690 CB GLU A 43 -1.699 -5.857 16.602 1.00 0.00 C ATOM 691 CG GLU A 43 -1.447 -6.297 18.034 1.00 0.00 C ATOM 692 CD GLU A 43 -2.683 -6.185 18.905 1.00 0.00 C ATOM 693 OE1 GLU A 43 -3.545 -7.086 18.833 1.00 0.00 O ATOM 694 OE2 GLU A 43 -2.788 -5.195 19.660 1.00 0.00 O ATOM 0 H GLU A 43 -0.853 -8.094 15.968 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.744 -5.679 14.686 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.985 -4.805 16.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.544 -6.418 16.202 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.098 -7.329 18.037 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.649 -5.690 18.462 1.00 0.00 H new ATOM 701 N THR A 44 1.511 -5.893 17.039 1.00 0.00 N ATOM 702 CA THR A 44 2.682 -5.244 17.616 1.00 0.00 C ATOM 703 C THR A 44 3.798 -5.108 16.587 1.00 0.00 C ATOM 704 O THR A 44 4.408 -6.098 16.185 1.00 0.00 O ATOM 705 CB THR A 44 3.213 -6.023 18.833 1.00 0.00 C ATOM 706 OG1 THR A 44 3.416 -7.397 18.485 1.00 0.00 O ATOM 707 CG2 THR A 44 2.244 -5.929 20.002 1.00 0.00 C ATOM 0 H THR A 44 1.382 -6.863 17.327 1.00 0.00 H new ATOM 0 HA THR A 44 2.367 -4.252 17.939 1.00 0.00 H new ATOM 0 HB THR A 44 4.163 -5.580 19.133 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.788 -7.454 17.580 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.641 -6.487 20.850 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.115 -4.884 20.284 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.281 -6.348 19.711 1.00 0.00 H new ATOM 715 N ALA A 45 4.060 -3.875 16.164 1.00 0.00 N ATOM 716 CA ALA A 45 5.106 -3.610 15.184 1.00 0.00 C ATOM 717 C ALA A 45 6.479 -3.561 15.845 1.00 0.00 C ATOM 718 O ALA A 45 7.260 -2.641 15.605 1.00 0.00 O ATOM 719 CB ALA A 45 4.823 -2.307 14.451 1.00 0.00 C ATOM 0 H ALA A 45 3.562 -3.045 16.485 1.00 0.00 H new ATOM 0 HA ALA A 45 5.110 -4.427 14.462 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.612 -2.121 13.722 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.864 -2.379 13.938 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.790 -1.486 15.167 1.00 0.00 H new ATOM 725 N GLN A 46 6.766 -4.556 16.677 1.00 0.00 N ATOM 726 CA GLN A 46 8.045 -4.624 17.374 1.00 0.00 C ATOM 727 C GLN A 46 8.955 -5.671 16.740 1.00 0.00 C ATOM 728 O GLN A 46 10.176 -5.619 16.889 1.00 0.00 O ATOM 729 CB GLN A 46 7.828 -4.949 18.853 1.00 0.00 C ATOM 730 CG GLN A 46 7.127 -6.278 19.087 1.00 0.00 C ATOM 731 CD GLN A 46 7.204 -6.732 20.532 1.00 0.00 C ATOM 732 OE1 GLN A 46 8.248 -7.195 20.994 1.00 0.00 O ATOM 733 NE2 GLN A 46 6.098 -6.600 21.254 1.00 0.00 N ATOM 0 H GLN A 46 6.131 -5.326 16.885 1.00 0.00 H new ATOM 0 HA GLN A 46 8.528 -3.650 17.290 1.00 0.00 H new ATOM 0 HB2 GLN A 46 8.793 -4.963 19.359 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.240 -4.152 19.309 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.081 -6.189 18.793 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.575 -7.038 18.447 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.256 -6.211 20.830 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.091 -6.887 22.233 1.00 0.00 H new ATOM 742 N ASP A 47 8.353 -6.620 16.032 1.00 0.00 N ATOM 743 CA ASP A 47 9.110 -7.679 15.374 1.00 0.00 C ATOM 744 C ASP A 47 9.164 -7.452 13.866 1.00 0.00 C ATOM 745 O ASP A 47 9.008 -8.388 13.083 1.00 0.00 O ATOM 746 CB ASP A 47 8.486 -9.043 15.675 1.00 0.00 C ATOM 747 CG ASP A 47 9.019 -9.653 16.956 1.00 0.00 C ATOM 748 OD1 ASP A 47 8.479 -9.334 18.036 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.977 -10.451 16.879 1.00 0.00 O ATOM 0 H ASP A 47 7.343 -6.678 15.899 1.00 0.00 H new ATOM 0 HA ASP A 47 10.128 -7.660 15.763 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.404 -8.936 15.750 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.682 -9.721 14.844 1.00 0.00 H new ATOM 754 N GLU A 48 9.384 -6.203 13.468 1.00 0.00 N ATOM 755 CA GLU A 48 9.456 -5.854 12.055 1.00 0.00 C ATOM 756 C GLU A 48 10.107 -6.975 11.250 1.00 0.00 C ATOM 757 O GLU A 48 11.232 -7.383 11.534 1.00 0.00 O ATOM 758 CB GLU A 48 10.241 -4.554 11.867 1.00 0.00 C ATOM 759 CG GLU A 48 9.914 -3.827 10.573 1.00 0.00 C ATOM 760 CD GLU A 48 10.968 -2.803 10.197 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.971 -3.192 9.563 1.00 0.00 O ATOM 762 OE2 GLU A 48 10.789 -1.615 10.537 1.00 0.00 O ATOM 0 H GLU A 48 9.515 -5.417 14.104 1.00 0.00 H new ATOM 0 HA GLU A 48 8.439 -5.712 11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.037 -3.891 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.308 -4.777 11.889 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.815 -4.554 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.949 -3.330 10.674 1.00 0.00 H new ATOM 769 N GLU A 49 9.390 -7.468 10.245 1.00 0.00 N ATOM 770 CA GLU A 49 9.897 -8.542 9.400 1.00 0.00 C ATOM 771 C GLU A 49 10.648 -7.980 8.197 1.00 0.00 C ATOM 772 O GLU A 49 11.723 -8.464 7.841 1.00 0.00 O ATOM 773 CB GLU A 49 8.748 -9.435 8.926 1.00 0.00 C ATOM 774 CG GLU A 49 8.273 -10.424 9.977 1.00 0.00 C ATOM 775 CD GLU A 49 7.486 -11.575 9.382 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.115 -12.495 8.818 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.241 -11.556 9.479 1.00 0.00 O ATOM 0 H GLU A 49 8.456 -7.141 9.996 1.00 0.00 H new ATOM 0 HA GLU A 49 10.590 -9.139 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.910 -8.806 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.067 -9.984 8.040 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.135 -10.818 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.653 -9.903 10.706 1.00 0.00 H new ATOM 784 N ASP A 50 10.074 -6.956 7.574 1.00 0.00 N ATOM 785 CA ASP A 50 10.689 -6.327 6.411 1.00 0.00 C ATOM 786 C ASP A 50 9.968 -5.031 6.050 1.00 0.00 C ATOM 787 O ASP A 50 8.994 -4.650 6.699 1.00 0.00 O ATOM 788 CB ASP A 50 10.671 -7.284 5.218 1.00 0.00 C ATOM 789 CG ASP A 50 11.878 -8.200 5.193 1.00 0.00 C ATOM 790 OD1 ASP A 50 13.004 -7.694 5.004 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.697 -9.424 5.364 1.00 0.00 O ATOM 0 H ASP A 50 9.184 -6.544 7.855 1.00 0.00 H new ATOM 0 HA ASP A 50 11.723 -6.090 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.763 -7.886 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.637 -6.707 4.294 1.00 0.00 H new ATOM 796 N ARG A 51 10.455 -4.359 5.013 1.00 0.00 N ATOM 797 CA ARG A 51 9.859 -3.105 4.568 1.00 0.00 C ATOM 798 C ARG A 51 10.157 -2.855 3.092 1.00 0.00 C ATOM 799 O ARG A 51 11.315 -2.720 2.696 1.00 0.00 O ATOM 800 CB ARG A 51 10.382 -1.940 5.410 1.00 0.00 C ATOM 801 CG ARG A 51 9.576 -0.661 5.248 1.00 0.00 C ATOM 802 CD ARG A 51 9.758 0.267 6.439 1.00 0.00 C ATOM 803 NE ARG A 51 9.585 1.670 6.071 1.00 0.00 N ATOM 804 CZ ARG A 51 10.086 2.680 6.773 1.00 0.00 C ATOM 805 NH1 ARG A 51 10.788 2.445 7.873 1.00 0.00 N ATOM 806 NH2 ARG A 51 9.885 3.930 6.374 1.00 0.00 N ATOM 0 H ARG A 51 11.260 -4.661 4.465 1.00 0.00 H new ATOM 0 HA ARG A 51 8.779 -3.180 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.378 -2.231 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.419 -1.743 5.138 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.883 -0.149 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.520 -0.907 5.135 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.040 0.005 7.216 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.752 0.123 6.862 1.00 0.00 H new ATOM 0 HE ARG A 51 9.051 1.886 5.229 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.945 1.486 8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.171 3.223 8.409 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.346 4.115 5.528 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.270 4.706 6.913 1.00 0.00 H new ATOM 820 N VAL A 52 9.105 -2.794 2.283 1.00 0.00 N ATOM 821 CA VAL A 52 9.253 -2.560 0.852 1.00 0.00 C ATOM 822 C VAL A 52 8.763 -1.168 0.469 1.00 0.00 C ATOM 823 O VAL A 52 8.018 -0.533 1.216 1.00 0.00 O ATOM 824 CB VAL A 52 8.482 -3.608 0.028 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.961 -5.011 0.366 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.985 -3.475 0.266 1.00 0.00 C ATOM 0 H VAL A 52 8.140 -2.903 2.595 1.00 0.00 H new ATOM 0 HA VAL A 52 10.316 -2.643 0.627 1.00 0.00 H new ATOM 0 HB VAL A 52 8.677 -3.429 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.405 -5.738 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.024 -5.097 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.798 -5.206 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.455 -4.223 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.770 -3.628 1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.656 -2.479 -0.031 1.00 0.00 H new ATOM 836 N VAL A 53 9.186 -0.698 -0.701 1.00 0.00 N ATOM 837 CA VAL A 53 8.789 0.619 -1.184 1.00 0.00 C ATOM 838 C VAL A 53 7.501 0.541 -1.996 1.00 0.00 C ATOM 839 O VAL A 53 7.315 -0.375 -2.798 1.00 0.00 O ATOM 840 CB VAL A 53 9.892 1.254 -2.052 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.458 2.625 -2.548 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.195 1.347 -1.273 1.00 0.00 C ATOM 0 H VAL A 53 9.803 -1.210 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 53 8.624 1.242 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 53 10.059 0.617 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.250 3.058 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.552 2.526 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.261 3.275 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.963 1.798 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.045 1.962 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.512 0.348 -0.973 1.00 0.00 H new ATOM 852 N ILE A 54 6.614 1.507 -1.783 1.00 0.00 N ATOM 853 CA ILE A 54 5.344 1.549 -2.496 1.00 0.00 C ATOM 854 C ILE A 54 5.332 2.666 -3.533 1.00 0.00 C ATOM 855 O ILE A 54 4.816 2.496 -4.639 1.00 0.00 O ATOM 856 CB ILE A 54 4.162 1.749 -1.529 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.994 0.521 -0.632 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.883 2.023 -2.306 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.601 -0.729 -1.387 1.00 0.00 C ATOM 0 H ILE A 54 6.752 2.271 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 54 5.233 0.588 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 54 4.372 2.611 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.929 0.337 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.237 0.733 0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.057 2.162 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.008 2.925 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.667 1.179 -2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.500 -1.559 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.651 -0.564 -1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.369 -0.966 -2.123 1.00 0.00 H new ATOM 871 N HIS A 55 5.906 3.809 -3.171 1.00 0.00 N ATOM 872 CA HIS A 55 5.964 4.955 -4.072 1.00 0.00 C ATOM 873 C HIS A 55 6.634 4.576 -5.390 1.00 0.00 C ATOM 874 O HIS A 55 7.797 4.172 -5.413 1.00 0.00 O ATOM 875 CB HIS A 55 6.721 6.109 -3.415 1.00 0.00 C ATOM 876 CG HIS A 55 6.471 7.436 -4.064 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.449 8.144 -4.730 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.345 8.182 -4.148 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.935 9.269 -5.194 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.660 9.316 -4.855 1.00 0.00 N ATOM 0 H HIS A 55 6.338 3.966 -2.260 1.00 0.00 H new ATOM 0 HA HIS A 55 4.943 5.273 -4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.436 6.168 -2.365 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.789 5.895 -3.444 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.418 7.846 -4.846 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.379 7.932 -3.736 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.467 10.022 -5.755 1.00 0.00 H new ATOM 889 N PHE A 56 5.893 4.710 -6.485 1.00 0.00 N ATOM 890 CA PHE A 56 6.415 4.380 -7.806 1.00 0.00 C ATOM 891 C PHE A 56 7.279 3.124 -7.752 1.00 0.00 C ATOM 892 O PHE A 56 8.381 3.092 -8.296 1.00 0.00 O ATOM 893 CB PHE A 56 7.231 5.550 -8.362 1.00 0.00 C ATOM 894 CG PHE A 56 6.387 6.702 -8.825 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.649 6.612 -9.995 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.330 7.876 -8.091 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.872 7.671 -10.424 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.555 8.939 -8.515 1.00 0.00 C ATOM 899 CZ PHE A 56 4.824 8.836 -9.682 1.00 0.00 C ATOM 0 H PHE A 56 4.929 5.045 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 56 5.569 4.189 -8.466 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.920 5.900 -7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.837 5.196 -9.196 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.682 5.704 -10.578 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.898 7.961 -7.176 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.303 7.588 -11.338 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.521 9.849 -7.934 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.216 9.664 -10.014 1.00 0.00 H new ATOM 909 N ASN A 57 6.769 2.090 -7.089 1.00 0.00 N ATOM 910 CA ASN A 57 7.493 0.831 -6.962 1.00 0.00 C ATOM 911 C ASN A 57 6.620 -0.344 -7.391 1.00 0.00 C ATOM 912 O ASN A 57 7.118 -1.346 -7.907 1.00 0.00 O ATOM 913 CB ASN A 57 7.963 0.632 -5.519 1.00 0.00 C ATOM 914 CG ASN A 57 9.243 -0.177 -5.434 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.268 0.202 -6.001 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.188 -1.297 -4.724 1.00 0.00 N ATOM 0 H ASN A 57 5.857 2.100 -6.632 1.00 0.00 H new ATOM 0 HA ASN A 57 8.363 0.873 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.120 1.605 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.180 0.129 -4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.018 -1.883 -4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.316 -1.572 -4.271 1.00 0.00 H new ATOM 923 N VAL A 58 5.315 -0.215 -7.175 1.00 0.00 N ATOM 924 CA VAL A 58 4.372 -1.265 -7.541 1.00 0.00 C ATOM 925 C VAL A 58 4.253 -1.394 -9.055 1.00 0.00 C ATOM 926 O VAL A 58 3.557 -0.612 -9.702 1.00 0.00 O ATOM 927 CB VAL A 58 2.976 -0.997 -6.948 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.969 -2.008 -7.475 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.028 -1.027 -5.428 1.00 0.00 C ATOM 0 H VAL A 58 4.887 0.606 -6.748 1.00 0.00 H new ATOM 0 HA VAL A 58 4.761 -2.197 -7.130 1.00 0.00 H new ATOM 0 HB VAL A 58 2.653 -0.003 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.989 -1.803 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.912 -1.933 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.284 -3.014 -7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.033 -0.836 -5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.372 -2.006 -5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.717 -0.261 -5.072 1.00 0.00 H new ATOM 939 N ARG A 59 4.938 -2.387 -9.615 1.00 0.00 N ATOM 940 CA ARG A 59 4.910 -2.618 -11.054 1.00 0.00 C ATOM 941 C ARG A 59 3.507 -3.004 -11.515 1.00 0.00 C ATOM 942 O ARG A 59 2.987 -2.449 -12.484 1.00 0.00 O ATOM 943 CB ARG A 59 5.903 -3.717 -11.435 1.00 0.00 C ATOM 944 CG ARG A 59 5.883 -4.070 -12.913 1.00 0.00 C ATOM 945 CD ARG A 59 7.197 -4.697 -13.354 1.00 0.00 C ATOM 946 NE ARG A 59 7.190 -5.043 -14.773 1.00 0.00 N ATOM 947 CZ ARG A 59 6.461 -6.028 -15.285 1.00 0.00 C ATOM 948 NH1 ARG A 59 5.686 -6.762 -14.498 1.00 0.00 N ATOM 949 NH2 ARG A 59 6.508 -6.282 -16.586 1.00 0.00 N ATOM 0 H ARG A 59 5.519 -3.044 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 59 5.196 -1.691 -11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.908 -3.398 -11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.682 -4.612 -10.853 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.064 -4.761 -13.112 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.692 -3.172 -13.500 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.014 -4.004 -13.154 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.387 -5.593 -12.763 1.00 0.00 H new ATOM 0 HE ARG A 59 7.777 -4.499 -15.405 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.649 -6.571 -13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.127 -7.518 -14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.104 -5.721 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.948 -7.039 -16.978 1.00 0.00 H new ATOM 963 N ASP A 60 2.901 -3.957 -10.816 1.00 0.00 N ATOM 964 CA ASP A 60 1.559 -4.417 -11.153 1.00 0.00 C ATOM 965 C ASP A 60 0.862 -5.002 -9.929 1.00 0.00 C ATOM 966 O ASP A 60 1.487 -5.215 -8.889 1.00 0.00 O ATOM 967 CB ASP A 60 1.620 -5.461 -12.269 1.00 0.00 C ATOM 968 CG ASP A 60 0.243 -5.906 -12.720 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.432 -5.127 -13.426 1.00 0.00 O ATOM 970 OD2 ASP A 60 -0.160 -7.035 -12.369 1.00 0.00 O ATOM 0 H ASP A 60 3.318 -4.426 -10.012 1.00 0.00 H new ATOM 0 HA ASP A 60 0.984 -3.559 -11.500 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.162 -5.048 -13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.183 -6.327 -11.922 1.00 0.00 H new ATOM 975 N ILE A 61 -0.435 -5.259 -10.059 1.00 0.00 N ATOM 976 CA ILE A 61 -1.217 -5.819 -8.964 1.00 0.00 C ATOM 977 C ILE A 61 -2.296 -6.762 -9.485 1.00 0.00 C ATOM 978 O ILE A 61 -3.107 -6.388 -10.333 1.00 0.00 O ATOM 979 CB ILE A 61 -1.880 -4.713 -8.122 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.814 -3.835 -7.463 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.794 -5.324 -7.071 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.387 -2.735 -6.599 1.00 0.00 C ATOM 0 H ILE A 61 -0.967 -5.088 -10.912 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.524 -6.377 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.483 -4.088 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.164 -4.463 -6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.191 -3.389 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.255 -4.530 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.571 -5.911 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.212 -5.970 -6.414 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.574 -2.153 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.014 -2.084 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.986 -3.174 -5.801 1.00 0.00 H new ATOM 994 N LYS A 62 -2.303 -7.987 -8.971 1.00 0.00 N ATOM 995 CA LYS A 62 -3.284 -8.984 -9.380 1.00 0.00 C ATOM 996 C LYS A 62 -4.252 -9.295 -8.243 1.00 0.00 C ATOM 997 O LYS A 62 -3.841 -9.474 -7.096 1.00 0.00 O ATOM 998 CB LYS A 62 -2.581 -10.267 -9.830 1.00 0.00 C ATOM 999 CG LYS A 62 -1.723 -10.088 -11.071 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.797 -11.273 -11.285 1.00 0.00 C ATOM 1001 CE LYS A 62 0.277 -10.963 -12.315 1.00 0.00 C ATOM 1002 NZ LYS A 62 -0.163 -11.305 -13.696 1.00 0.00 N ATOM 0 H LYS A 62 -1.639 -8.313 -8.269 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.852 -8.575 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.955 -10.633 -9.016 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.331 -11.033 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.365 -9.965 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.133 -9.176 -10.978 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.328 -11.545 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.378 -12.135 -11.612 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.531 -9.904 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.183 -11.520 -12.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.597 -11.079 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.382 -12.320 -13.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.012 -10.755 -13.936 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.539 -9.358 -8.568 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.565 -9.650 -7.574 1.00 0.00 C ATOM 1018 C VAL A 63 -7.603 -10.622 -8.124 1.00 0.00 C ATOM 1019 O VAL A 63 -8.125 -10.433 -9.222 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.276 -8.365 -7.109 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.342 -8.690 -6.072 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.269 -7.370 -6.555 1.00 0.00 C ATOM 0 H VAL A 63 -5.896 -9.211 -9.512 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.061 -10.106 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.766 -7.910 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.834 -7.770 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.079 -9.364 -6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.877 -9.168 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.789 -6.468 -6.231 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.749 -7.813 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.546 -7.114 -7.330 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.898 -11.663 -7.353 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.873 -12.650 -7.779 1.00 0.00 C ATOM 1034 C GLY A 64 -8.442 -13.388 -9.031 1.00 0.00 C ATOM 1035 O GLY A 64 -7.301 -13.840 -9.130 1.00 0.00 O ATOM 0 H GLY A 64 -7.479 -11.841 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.034 -13.368 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.828 -12.157 -7.962 1.00 0.00 H new ATOM 1039 N GLN A 65 -9.356 -13.511 -9.988 1.00 0.00 N ATOM 1040 CA GLN A 65 -9.063 -14.202 -11.238 1.00 0.00 C ATOM 1041 C GLN A 65 -7.656 -13.874 -11.725 1.00 0.00 C ATOM 1042 O GLN A 65 -6.888 -14.768 -12.079 1.00 0.00 O ATOM 1043 CB GLN A 65 -10.088 -13.821 -12.308 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.127 -12.332 -12.609 1.00 0.00 C ATOM 1045 CD GLN A 65 -9.163 -11.933 -13.709 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -8.517 -12.784 -14.322 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -9.060 -10.634 -13.964 1.00 0.00 N ATOM 0 H GLN A 65 -10.304 -13.142 -9.922 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.122 -15.275 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.861 -14.363 -13.226 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.077 -14.144 -11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.139 -12.050 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.888 -11.776 -11.703 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.615 -9.964 -13.431 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.426 -10.306 -14.693 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.326 -12.586 -11.741 1.00 0.00 N ATOM 1057 CA GLU A 66 -6.011 -12.141 -12.186 1.00 0.00 C ATOM 1058 C GLU A 66 -4.925 -13.111 -11.731 1.00 0.00 C ATOM 1059 O GLU A 66 -4.117 -13.578 -12.535 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.714 -10.739 -11.651 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.163 -9.624 -12.582 1.00 0.00 C ATOM 1062 CD GLU A 66 -5.084 -9.216 -13.565 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -4.200 -10.050 -13.855 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -5.122 -8.064 -14.045 1.00 0.00 O ATOM 0 H GLU A 66 -7.951 -11.834 -11.451 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.016 -12.113 -13.276 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.206 -10.616 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.642 -10.645 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.046 -9.948 -13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.457 -8.757 -11.990 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.912 -13.410 -10.436 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.924 -14.323 -9.872 1.00 0.00 C ATOM 1073 C CYS A 67 -4.248 -15.768 -10.240 1.00 0.00 C ATOM 1074 O CYS A 67 -5.343 -16.257 -9.966 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.869 -14.172 -8.351 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.414 -12.514 -7.791 1.00 0.00 S ATOM 0 H CYS A 67 -5.574 -13.034 -9.758 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.950 -14.069 -10.290 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.843 -14.430 -7.935 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.152 -14.889 -7.951 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.396 -12.485 -6.491 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.354 -20.702 -3.666 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.991 -20.375 -2.387 1.00 0.00 C ATOM 1146 C PRO A 72 -5.851 -21.499 -1.365 1.00 0.00 C ATOM 1147 O PRO A 72 -5.943 -22.682 -1.692 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.461 -20.175 -2.763 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.648 -20.983 -4.000 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.339 -20.921 -4.738 1.00 0.00 C ATOM 0 HA PRO A 72 -5.535 -19.504 -1.916 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.123 -20.513 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.685 -19.123 -2.939 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.911 -22.013 -3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.458 -20.582 -4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.141 -21.844 -5.283 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.327 -20.111 -5.467 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.623 -21.122 -0.098 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.466 -22.084 0.997 1.00 0.00 C ATOM 1160 C PRO A 73 -6.773 -22.791 1.339 1.00 0.00 C ATOM 1161 O PRO A 73 -7.752 -22.695 0.600 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.006 -21.214 2.170 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.531 -19.854 1.861 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.501 -19.729 0.363 1.00 0.00 C ATOM 0 HA PRO A 73 -4.769 -22.882 0.742 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.400 -21.585 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.919 -21.209 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.545 -19.731 2.243 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.918 -19.084 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.320 -19.111 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.575 -19.271 0.016 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.780 -23.501 2.463 1.00 0.00 N ATOM 1173 CA GLU A 74 -7.968 -24.225 2.901 1.00 0.00 C ATOM 1174 C GLU A 74 -9.005 -23.267 3.481 1.00 0.00 C ATOM 1175 O GLU A 74 -8.854 -22.774 4.598 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.594 -25.281 3.943 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.766 -26.138 4.389 1.00 0.00 C ATOM 1178 CD GLU A 74 -8.975 -27.349 3.500 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.174 -28.303 3.600 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -9.938 -27.344 2.705 1.00 0.00 O ATOM 0 H GLU A 74 -5.977 -23.590 3.086 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.401 -24.720 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.819 -25.927 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.166 -24.784 4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.600 -26.469 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.673 -25.533 4.392 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.059 -23.010 2.713 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.106 -22.112 3.166 1.00 0.00 C ATOM 1189 C GLY A 75 -11.270 -20.908 2.261 1.00 0.00 C ATOM 1190 O GLY A 75 -12.370 -20.624 1.787 1.00 0.00 O ATOM 0 H GLY A 75 -10.207 -23.407 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.049 -22.655 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.878 -21.774 4.177 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.173 -20.197 2.020 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.201 -19.015 1.167 1.00 0.00 C ATOM 1196 C ARG A 76 -10.874 -19.322 -0.167 1.00 0.00 C ATOM 1197 O ARG A 76 -11.374 -20.427 -0.382 1.00 0.00 O ATOM 1198 CB ARG A 76 -8.780 -18.500 0.927 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.310 -17.499 1.970 1.00 0.00 C ATOM 1200 CD ARG A 76 -8.863 -17.831 3.348 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.145 -17.175 3.595 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.993 -17.554 4.545 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.696 -18.578 5.333 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -12.140 -16.907 4.709 1.00 0.00 N ATOM 0 H ARG A 76 -9.254 -20.419 2.403 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.779 -18.244 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.093 -19.347 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.733 -18.035 -0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.221 -17.493 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.625 -16.496 1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -8.984 -18.910 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.146 -17.525 4.110 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.403 -16.383 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.815 -19.077 5.211 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.349 -18.867 6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.371 -16.118 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.790 -17.199 5.439 1.00 0.00 H new ATOM 1218 N SER A 77 -10.884 -18.338 -1.060 1.00 0.00 N ATOM 1219 CA SER A 77 -11.500 -18.502 -2.372 1.00 0.00 C ATOM 1220 C SER A 77 -10.685 -17.789 -3.447 1.00 0.00 C ATOM 1221 O SER A 77 -9.910 -16.879 -3.153 1.00 0.00 O ATOM 1222 CB SER A 77 -12.931 -17.962 -2.358 1.00 0.00 C ATOM 1223 OG SER A 77 -13.849 -18.962 -1.952 1.00 0.00 O ATOM 0 H SER A 77 -10.473 -17.419 -0.899 1.00 0.00 H new ATOM 0 HA SER A 77 -11.524 -19.567 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.995 -17.109 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.197 -17.602 -3.352 1.00 0.00 H new ATOM 0 HG SER A 77 -13.378 -19.648 -1.434 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.868 -18.209 -4.695 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.150 -17.612 -5.814 1.00 0.00 C ATOM 1231 C ARG A 78 -10.538 -16.147 -5.990 1.00 0.00 C ATOM 1232 O ARG A 78 -9.869 -15.398 -6.702 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.439 -18.385 -7.103 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.716 -19.719 -7.188 1.00 0.00 C ATOM 1235 CD ARG A 78 -9.503 -20.147 -8.631 1.00 0.00 C ATOM 1236 NE ARG A 78 -10.766 -20.283 -9.353 1.00 0.00 N ATOM 1237 CZ ARG A 78 -10.845 -20.483 -10.664 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -9.741 -20.571 -11.392 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.031 -20.596 -11.249 1.00 0.00 N ATOM 0 H ARG A 78 -11.507 -18.960 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.083 -17.664 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.512 -18.558 -7.180 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.153 -17.771 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.753 -19.645 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.293 -20.481 -6.663 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.873 -19.415 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.969 -21.097 -8.652 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.634 -20.221 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.828 -20.485 -10.946 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.805 -20.725 -12.398 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.883 -20.529 -10.692 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.091 -20.750 -12.256 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.623 -15.745 -5.336 1.00 0.00 N ATOM 1254 CA ASP A 79 -12.100 -14.369 -5.419 1.00 0.00 C ATOM 1255 C ASP A 79 -11.493 -13.516 -4.310 1.00 0.00 C ATOM 1256 O ASP A 79 -12.022 -12.460 -3.965 1.00 0.00 O ATOM 1257 CB ASP A 79 -13.626 -14.330 -5.332 1.00 0.00 C ATOM 1258 CG ASP A 79 -14.287 -14.476 -6.689 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -14.246 -15.590 -7.253 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.847 -13.477 -7.186 1.00 0.00 O ATOM 0 H ASP A 79 -12.188 -16.352 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.788 -13.959 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.970 -15.129 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.937 -13.389 -4.879 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.378 -13.981 -3.755 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.718 -13.249 -2.690 1.00 0.00 C ATOM 1267 C GLY A 80 -8.244 -13.026 -2.967 1.00 0.00 C ATOM 1268 O GLY A 80 -7.675 -12.011 -2.562 1.00 0.00 O ATOM 0 H GLY A 80 -9.920 -14.852 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.209 -12.285 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.830 -13.796 -1.754 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.623 -13.976 -3.657 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.205 -13.879 -3.986 1.00 0.00 C ATOM 1274 C LEU A 81 -5.802 -12.431 -4.241 1.00 0.00 C ATOM 1275 O LEU A 81 -6.606 -11.626 -4.715 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.887 -14.733 -5.215 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.487 -16.183 -4.940 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.372 -16.786 -3.860 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.561 -17.008 -6.216 1.00 0.00 C ATOM 0 H LEU A 81 -8.079 -14.822 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.634 -14.250 -3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.761 -14.736 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.079 -14.253 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.457 -16.194 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.072 -17.818 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.267 -16.210 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.412 -16.762 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.273 -18.037 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.580 -16.990 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.883 -16.589 -6.960 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.554 -12.105 -3.926 1.00 0.00 N ATOM 1292 CA LEU A 82 -4.043 -10.753 -4.123 1.00 0.00 C ATOM 1293 C LEU A 82 -2.517 -10.742 -4.126 1.00 0.00 C ATOM 1294 O LEU A 82 -1.882 -10.991 -3.101 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.569 -9.823 -3.028 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.822 -8.500 -2.856 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.178 -7.536 -3.977 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.135 -7.883 -1.500 1.00 0.00 C ATOM 0 H LEU A 82 -3.877 -12.758 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.392 -10.397 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.615 -9.602 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.541 -10.359 -2.079 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.752 -8.701 -2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.637 -6.600 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.902 -7.975 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.250 -7.341 -3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.595 -6.942 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.206 -7.697 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.828 -8.568 -0.709 1.00 0.00 H new ATOM 1310 N THR A 83 -1.935 -10.450 -5.285 1.00 0.00 N ATOM 1311 CA THR A 83 -0.485 -10.405 -5.422 1.00 0.00 C ATOM 1312 C THR A 83 -0.015 -9.021 -5.855 1.00 0.00 C ATOM 1313 O THR A 83 -0.600 -8.408 -6.748 1.00 0.00 O ATOM 1314 CB THR A 83 0.016 -11.447 -6.440 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.525 -12.736 -6.129 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.536 -11.516 -6.441 1.00 0.00 C ATOM 0 H THR A 83 -2.446 -10.241 -6.143 1.00 0.00 H new ATOM 0 HA THR A 83 -0.068 -10.636 -4.442 1.00 0.00 H new ATOM 0 HB THR A 83 -0.319 -11.143 -7.432 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.402 -12.834 -6.554 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.866 -12.258 -7.168 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.944 -10.541 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.888 -11.798 -5.449 1.00 0.00 H new ATOM 1324 N VAL A 84 1.044 -8.534 -5.217 1.00 0.00 N ATOM 1325 CA VAL A 84 1.594 -7.222 -5.538 1.00 0.00 C ATOM 1326 C VAL A 84 2.994 -7.342 -6.129 1.00 0.00 C ATOM 1327 O VAL A 84 3.854 -8.027 -5.577 1.00 0.00 O ATOM 1328 CB VAL A 84 1.649 -6.317 -4.293 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.297 -4.983 -4.631 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.254 -6.112 -3.721 1.00 0.00 C ATOM 0 H VAL A 84 1.539 -9.028 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 84 0.930 -6.772 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 84 2.259 -6.808 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.327 -4.357 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.312 -5.152 -4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.717 -4.483 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.312 -5.470 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.382 -5.643 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.169 -7.076 -3.439 1.00 0.00 H new ATOM 1340 N ASN A 85 3.215 -6.671 -7.254 1.00 0.00 N ATOM 1341 CA ASN A 85 4.512 -6.702 -7.921 1.00 0.00 C ATOM 1342 C ASN A 85 5.342 -5.475 -7.554 1.00 0.00 C ATOM 1343 O ASN A 85 4.803 -4.387 -7.347 1.00 0.00 O ATOM 1344 CB ASN A 85 4.327 -6.773 -9.438 1.00 0.00 C ATOM 1345 CG ASN A 85 4.222 -8.199 -9.942 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.114 -8.693 -10.632 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.128 -8.868 -9.598 1.00 0.00 N ATOM 0 H ASN A 85 2.513 -6.099 -7.723 1.00 0.00 H new ATOM 0 HA ASN A 85 5.045 -7.592 -7.585 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.427 -6.225 -9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.166 -6.279 -9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.001 -9.832 -9.907 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.414 -8.418 -9.024 1.00 0.00 H new ATOM 1354 N LEU A 86 6.655 -5.658 -7.476 1.00 0.00 N ATOM 1355 CA LEU A 86 7.560 -4.566 -7.136 1.00 0.00 C ATOM 1356 C LEU A 86 8.548 -4.304 -8.268 1.00 0.00 C ATOM 1357 O LEU A 86 8.854 -5.198 -9.058 1.00 0.00 O ATOM 1358 CB LEU A 86 8.318 -4.889 -5.847 1.00 0.00 C ATOM 1359 CG LEU A 86 7.458 -5.220 -4.627 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.297 -5.882 -3.545 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.788 -3.964 -4.091 1.00 0.00 C ATOM 0 H LEU A 86 7.117 -6.552 -7.644 1.00 0.00 H new ATOM 0 HA LEU A 86 6.963 -3.666 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.979 -5.734 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.952 -4.038 -5.599 1.00 0.00 H new ATOM 0 HG LEU A 86 6.681 -5.920 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.667 -6.110 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.729 -6.804 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.097 -5.207 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.180 -4.218 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.550 -3.241 -3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.153 -3.532 -4.865 1.00 0.00 H new ATOM 1373 N ARG A 87 9.046 -3.074 -8.340 1.00 0.00 N ATOM 1374 CA ARG A 87 10.000 -2.695 -9.375 1.00 0.00 C ATOM 1375 C ARG A 87 11.396 -3.215 -9.044 1.00 0.00 C ATOM 1376 O ARG A 87 12.148 -3.610 -9.934 1.00 0.00 O ATOM 1377 CB ARG A 87 10.035 -1.174 -9.534 1.00 0.00 C ATOM 1378 CG ARG A 87 8.985 -0.638 -10.493 1.00 0.00 C ATOM 1379 CD ARG A 87 9.438 0.658 -11.147 1.00 0.00 C ATOM 1380 NE ARG A 87 10.597 0.459 -12.013 1.00 0.00 N ATOM 1381 CZ ARG A 87 11.117 1.414 -12.776 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.585 2.628 -12.779 1.00 0.00 N ATOM 1383 NH2 ARG A 87 12.173 1.155 -13.537 1.00 0.00 N ATOM 0 H ARG A 87 8.804 -2.323 -7.694 1.00 0.00 H new ATOM 0 HA ARG A 87 9.677 -3.144 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.893 -0.712 -8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.023 -0.877 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.779 -1.382 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.052 -0.469 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.617 1.076 -11.730 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.684 1.387 -10.375 1.00 0.00 H new ATOM 0 HE ARG A 87 11.031 -0.464 -12.033 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.774 2.831 -12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.986 3.359 -13.366 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.586 0.222 -13.536 1.00 0.00 H new ATOM 0 HH22 ARG A 87 12.572 1.889 -14.123 1.00 0.00 H new ATOM 1397 N GLU A 88 11.734 -3.211 -7.758 1.00 0.00 N ATOM 1398 CA GLU A 88 13.040 -3.681 -7.311 1.00 0.00 C ATOM 1399 C GLU A 88 13.343 -5.065 -7.876 1.00 0.00 C ATOM 1400 O GLU A 88 14.502 -5.460 -7.993 1.00 0.00 O ATOM 1401 CB GLU A 88 13.098 -3.718 -5.783 1.00 0.00 C ATOM 1402 CG GLU A 88 12.557 -5.006 -5.184 1.00 0.00 C ATOM 1403 CD GLU A 88 13.623 -6.075 -5.041 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.854 -6.816 -6.019 1.00 0.00 O ATOM 1405 OE2 GLU A 88 14.226 -6.170 -3.952 1.00 0.00 O ATOM 0 H GLU A 88 11.122 -2.888 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 88 13.793 -2.985 -7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.132 -3.585 -5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.531 -2.876 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.126 -4.794 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.751 -5.384 -5.812 1.00 0.00 H new ATOM 1412 N GLY A 89 12.290 -5.799 -8.225 1.00 0.00 N ATOM 1413 CA GLY A 89 12.464 -7.132 -8.772 1.00 0.00 C ATOM 1414 C GLY A 89 11.961 -8.213 -7.837 1.00 0.00 C ATOM 1415 O GLY A 89 12.707 -9.120 -7.468 1.00 0.00 O ATOM 0 H GLY A 89 11.320 -5.494 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.935 -7.203 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.520 -7.300 -8.982 1.00 0.00 H new ATOM 1419 N SER A 90 10.693 -8.116 -7.450 1.00 0.00 N ATOM 1420 CA SER A 90 10.093 -9.091 -6.546 1.00 0.00 C ATOM 1421 C SER A 90 8.589 -8.864 -6.424 1.00 0.00 C ATOM 1422 O SER A 90 8.096 -7.761 -6.657 1.00 0.00 O ATOM 1423 CB SER A 90 10.747 -9.008 -5.166 1.00 0.00 C ATOM 1424 OG SER A 90 11.984 -9.698 -5.145 1.00 0.00 O ATOM 0 H SER A 90 10.061 -7.373 -7.748 1.00 0.00 H new ATOM 0 HA SER A 90 10.260 -10.085 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.905 -7.964 -4.897 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.078 -9.432 -4.417 1.00 0.00 H new ATOM 0 HG SER A 90 12.436 -9.586 -6.008 1.00 0.00 H new ATOM 1430 N ARG A 91 7.866 -9.917 -6.057 1.00 0.00 N ATOM 1431 CA ARG A 91 6.419 -9.835 -5.904 1.00 0.00 C ATOM 1432 C ARG A 91 5.997 -10.229 -4.491 1.00 0.00 C ATOM 1433 O ARG A 91 6.815 -10.691 -3.694 1.00 0.00 O ATOM 1434 CB ARG A 91 5.725 -10.737 -6.925 1.00 0.00 C ATOM 1435 CG ARG A 91 5.971 -12.219 -6.696 1.00 0.00 C ATOM 1436 CD ARG A 91 5.580 -13.044 -7.912 1.00 0.00 C ATOM 1437 NE ARG A 91 4.278 -12.651 -8.444 1.00 0.00 N ATOM 1438 CZ ARG A 91 3.865 -12.951 -9.670 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.647 -13.643 -10.487 1.00 0.00 N ATOM 1440 NH2 ARG A 91 2.666 -12.558 -10.082 1.00 0.00 N ATOM 0 H ARG A 91 8.259 -10.837 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 91 6.119 -8.802 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.652 -10.547 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.068 -10.471 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.024 -12.383 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.401 -12.554 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.338 -12.929 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.558 -14.100 -7.642 1.00 0.00 H new ATOM 0 HE ARG A 91 3.652 -12.117 -7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.569 -13.947 -10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.326 -13.872 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.061 -12.025 -9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.349 -12.789 -11.024 1.00 0.00 H new ATOM 1454 N LEU A 92 4.718 -10.043 -4.188 1.00 0.00 N ATOM 1455 CA LEU A 92 4.187 -10.379 -2.871 1.00 0.00 C ATOM 1456 C LEU A 92 2.894 -11.179 -2.993 1.00 0.00 C ATOM 1457 O LEU A 92 1.845 -10.635 -3.337 1.00 0.00 O ATOM 1458 CB LEU A 92 3.938 -9.106 -2.060 1.00 0.00 C ATOM 1459 CG LEU A 92 5.116 -8.601 -1.225 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.905 -7.148 -0.830 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.305 -9.469 0.010 1.00 0.00 C ATOM 0 H LEU A 92 4.029 -9.661 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 92 4.925 -10.993 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.639 -8.314 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.095 -9.284 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 92 6.020 -8.664 -1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.753 -6.806 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.819 -6.536 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.991 -7.060 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.147 -9.095 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.401 -9.438 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.502 -10.497 -0.294 1.00 0.00 H new ATOM 1473 N HIS A 93 2.977 -12.475 -2.706 1.00 0.00 N ATOM 1474 CA HIS A 93 1.812 -13.350 -2.781 1.00 0.00 C ATOM 1475 C HIS A 93 0.957 -13.224 -1.524 1.00 0.00 C ATOM 1476 O HIS A 93 1.354 -13.664 -0.444 1.00 0.00 O ATOM 1477 CB HIS A 93 2.251 -14.802 -2.970 1.00 0.00 C ATOM 1478 CG HIS A 93 3.142 -15.009 -4.156 1.00 0.00 C ATOM 1479 ND1 HIS A 93 2.922 -15.648 -5.329 1.00 0.00 N flip ATOM 1480 CD2 HIS A 93 4.434 -14.530 -4.219 1.00 0.00 C flip ATOM 1481 CE1 HIS A 93 4.073 -15.545 -6.071 1.00 0.00 C flip ATOM 1482 NE2 HIS A 93 4.969 -14.865 -5.379 1.00 0.00 N flip ATOM 0 H HIS A 93 3.838 -12.942 -2.420 1.00 0.00 H new ATOM 0 HA HIS A 93 1.213 -13.045 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.772 -15.135 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.366 -15.429 -3.077 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.062 -16.118 -5.609 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.930 -13.969 -3.441 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.221 -15.954 -7.060 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.218 -12.622 -1.671 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.129 -12.438 -0.547 1.00 0.00 C ATOM 1493 C LEU A 94 -2.535 -12.913 -0.903 1.00 0.00 C ATOM 1494 O LEU A 94 -2.826 -13.208 -2.063 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.166 -10.966 -0.131 1.00 0.00 C ATOM 1496 CG LEU A 94 0.191 -10.289 0.061 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.010 -8.819 0.406 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.993 -10.998 1.142 1.00 0.00 C ATOM 0 H LEU A 94 -0.562 -12.253 -2.557 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.763 -13.036 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.724 -10.410 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.724 -10.887 0.802 1.00 0.00 H new ATOM 0 HG LEU A 94 0.744 -10.356 -0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.987 -8.354 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.523 -8.319 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.563 -8.730 1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.956 -10.502 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.445 -10.964 2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.154 -12.037 0.853 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.401 -12.982 0.101 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.777 -13.420 -0.105 1.00 0.00 C ATOM 1512 C CYS A 95 -5.717 -12.749 0.891 1.00 0.00 C ATOM 1513 O CYS A 95 -5.392 -12.613 2.070 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.876 -14.940 0.026 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.562 -15.583 -0.085 1.00 0.00 S ATOM 0 H CYS A 95 -3.175 -12.740 1.066 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.077 -13.129 -1.112 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.271 -15.401 -0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.446 -15.240 0.982 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.527 -16.879 -0.178 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.882 -12.330 0.409 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.869 -11.673 1.257 1.00 0.00 C ATOM 1523 C ALA A 96 -9.058 -12.590 1.527 1.00 0.00 C ATOM 1524 O ALA A 96 -9.289 -13.553 0.796 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.336 -10.375 0.616 1.00 0.00 C ATOM 0 H ALA A 96 -7.166 -12.434 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.396 -11.444 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.073 -9.895 1.260 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.484 -9.709 0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.786 -10.589 -0.353 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.808 -12.284 2.581 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.972 -13.082 2.947 1.00 0.00 C ATOM 1533 C GLU A 97 -12.107 -12.878 1.948 1.00 0.00 C ATOM 1534 O GLU A 97 -12.831 -13.816 1.613 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.445 -12.718 4.356 1.00 0.00 C ATOM 1536 CG GLU A 97 -11.584 -11.222 4.584 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.230 -10.893 5.915 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -13.458 -11.082 6.041 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.508 -10.446 6.831 1.00 0.00 O ATOM 0 H GLU A 97 -9.630 -11.490 3.196 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.681 -14.132 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.407 -13.196 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.741 -13.124 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.599 -10.758 4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.178 -10.789 3.779 1.00 0.00 H new ATOM 1546 N THR A 98 -12.258 -11.644 1.477 1.00 0.00 N ATOM 1547 CA THR A 98 -13.306 -11.315 0.518 1.00 0.00 C ATOM 1548 C THR A 98 -12.756 -10.480 -0.632 1.00 0.00 C ATOM 1549 O THR A 98 -11.816 -9.704 -0.455 1.00 0.00 O ATOM 1550 CB THR A 98 -14.460 -10.547 1.189 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.024 -9.235 1.563 1.00 0.00 O ATOM 1552 CG2 THR A 98 -14.961 -11.290 2.419 1.00 0.00 C ATOM 0 H THR A 98 -11.668 -10.856 1.744 1.00 0.00 H new ATOM 0 HA THR A 98 -13.686 -12.259 0.128 1.00 0.00 H new ATOM 0 HB THR A 98 -15.278 -10.467 0.473 1.00 0.00 H new ATOM 0 HG1 THR A 98 -14.764 -8.753 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 98 -15.776 -10.729 2.876 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.319 -12.277 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.147 -11.397 3.136 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.347 -10.642 -1.811 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.916 -9.903 -2.991 1.00 0.00 C ATOM 1562 C ARG A 99 -12.778 -8.415 -2.680 1.00 0.00 C ATOM 1563 O ARG A 99 -11.842 -7.759 -3.139 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.908 -10.105 -4.137 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.296 -9.557 -3.845 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.253 -9.821 -4.997 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.116 -8.830 -6.061 1.00 0.00 N ATOM 1568 CZ ARG A 99 -17.028 -8.638 -7.008 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -18.136 -9.366 -7.024 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -16.832 -7.716 -7.942 1.00 0.00 N ATOM 0 H ARG A 99 -14.127 -11.279 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.941 -10.286 -3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.518 -9.623 -5.033 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.986 -11.170 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.685 -10.014 -2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.234 -8.484 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.067 -10.816 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.278 -9.815 -4.626 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.274 -8.254 -6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -18.290 -10.076 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.834 -9.216 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -15.981 -7.154 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.533 -7.569 -8.669 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.715 -7.890 -1.899 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.698 -6.481 -1.526 1.00 0.00 C ATOM 1586 C ASP A 100 -12.346 -6.091 -0.936 1.00 0.00 C ATOM 1587 O ASP A 100 -11.688 -5.171 -1.422 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.811 -6.184 -0.520 1.00 0.00 C ATOM 1589 CG ASP A 100 -14.457 -5.046 0.417 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -14.642 -3.874 0.025 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -13.994 -5.327 1.542 1.00 0.00 O ATOM 0 H ASP A 100 -14.496 -8.419 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.866 -5.891 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.726 -5.936 -1.058 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.017 -7.081 0.064 1.00 0.00 H new ATOM 1596 N ASP A 101 -11.938 -6.796 0.113 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.665 -6.524 0.770 1.00 0.00 C ATOM 1598 C ASP A 101 -9.529 -6.476 -0.247 1.00 0.00 C ATOM 1599 O ASP A 101 -8.673 -5.593 -0.196 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.374 -7.589 1.828 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.040 -7.282 3.155 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.196 -6.809 3.145 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.405 -7.517 4.205 1.00 0.00 O ATOM 0 H ASP A 101 -12.471 -7.561 0.527 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.736 -5.551 1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.718 -8.559 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.297 -7.667 1.975 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.527 -7.433 -1.170 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.497 -7.500 -2.199 1.00 0.00 C ATOM 1610 C ALA A 102 -8.538 -6.268 -3.097 1.00 0.00 C ATOM 1611 O ALA A 102 -7.501 -5.679 -3.407 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.660 -8.765 -3.028 1.00 0.00 C ATOM 0 H ALA A 102 -10.227 -8.172 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.526 -7.526 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.884 -8.802 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.573 -9.638 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.640 -8.763 -3.505 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.740 -5.884 -3.513 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.914 -4.722 -4.375 1.00 0.00 C ATOM 1620 C ILE A 103 -9.420 -3.451 -3.692 1.00 0.00 C ATOM 1621 O ILE A 103 -8.828 -2.582 -4.330 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.389 -4.535 -4.777 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.891 -5.760 -5.545 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.555 -3.275 -5.613 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.396 -5.809 -5.688 1.00 0.00 C ATOM 0 H ILE A 103 -10.608 -6.361 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.321 -4.903 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.986 -4.428 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.440 -5.767 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.553 -6.662 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.603 -3.157 -5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.232 -2.409 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.949 -3.355 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.680 -6.703 -6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.855 -5.834 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.739 -4.925 -6.225 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.667 -3.352 -2.390 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.244 -2.190 -1.619 1.00 0.00 C ATOM 1639 C ALA A 104 -7.739 -1.970 -1.738 1.00 0.00 C ATOM 1640 O ALA A 104 -7.276 -0.837 -1.862 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.642 -2.351 -0.160 1.00 0.00 C ATOM 0 H ALA A 104 -10.158 -4.063 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.746 -1.313 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.320 -1.476 0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.725 -2.451 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.167 -3.242 0.251 1.00 0.00 H new ATOM 1647 N TRP A 105 -6.982 -3.061 -1.697 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.529 -2.987 -1.799 1.00 0.00 C ATOM 1649 C TRP A 105 -5.103 -2.555 -3.198 1.00 0.00 C ATOM 1650 O TRP A 105 -4.158 -1.784 -3.360 1.00 0.00 O ATOM 1651 CB TRP A 105 -4.904 -4.340 -1.457 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.796 -4.588 0.017 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.410 -5.578 0.729 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.028 -3.831 0.960 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.071 -5.483 2.057 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.224 -4.420 2.225 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.194 -2.715 0.858 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.616 -3.928 3.376 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.591 -2.227 2.002 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.804 -2.834 3.248 1.00 0.00 C ATOM 0 H TRP A 105 -7.350 -4.007 -1.594 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.177 -2.242 -1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.501 -5.132 -1.909 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -3.910 -4.396 -1.902 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.066 -6.326 0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.397 -6.104 2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.023 -2.242 -0.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.779 -4.393 4.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.945 -1.364 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.318 -2.430 4.124 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.806 -3.058 -4.208 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.502 -2.724 -5.594 1.00 0.00 C ATOM 1673 C LYS A 106 -5.509 -1.213 -5.803 1.00 0.00 C ATOM 1674 O LYS A 106 -4.664 -0.670 -6.515 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.514 -3.384 -6.533 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.304 -3.035 -7.996 1.00 0.00 C ATOM 1677 CD LYS A 106 -5.374 -4.026 -8.677 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.241 -3.734 -10.164 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.442 -4.178 -10.926 1.00 0.00 N ATOM 0 H LYS A 106 -6.591 -3.699 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.505 -3.100 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.455 -4.466 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.520 -3.085 -6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.265 -3.024 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.888 -2.031 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.391 -3.986 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.753 -5.038 -8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.092 -2.664 -10.312 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.356 -4.237 -10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.313 -3.962 -11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.570 -5.203 -10.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.283 -3.680 -10.570 1.00 0.00 H new ATOM 1693 N THR A 107 -6.468 -0.537 -5.177 1.00 0.00 N ATOM 1694 CA THR A 107 -6.585 0.911 -5.295 1.00 0.00 C ATOM 1695 C THR A 107 -5.652 1.618 -4.319 1.00 0.00 C ATOM 1696 O THR A 107 -4.949 2.559 -4.688 1.00 0.00 O ATOM 1697 CB THR A 107 -8.029 1.381 -5.040 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.915 0.781 -5.992 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.129 2.896 -5.130 1.00 0.00 C ATOM 0 H THR A 107 -7.175 -0.970 -4.583 1.00 0.00 H new ATOM 0 HA THR A 107 -6.303 1.169 -6.316 1.00 0.00 H new ATOM 0 HB THR A 107 -8.316 1.074 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.831 1.084 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.158 3.204 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.476 3.349 -4.384 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.825 3.222 -6.124 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.650 1.160 -3.071 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.801 1.748 -2.043 1.00 0.00 C ATOM 1709 C ALA A 108 -3.327 1.631 -2.415 1.00 0.00 C ATOM 1710 O ALA A 108 -2.502 2.439 -1.986 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.063 1.084 -0.699 1.00 0.00 C ATOM 0 H ALA A 108 -6.227 0.383 -2.748 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.046 2.807 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.422 1.533 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.108 1.225 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.847 0.018 -0.772 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.002 0.620 -3.213 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.626 0.397 -3.642 1.00 0.00 C ATOM 1719 C LEU A 109 -1.342 1.116 -4.957 1.00 0.00 C ATOM 1720 O LEU A 109 -0.361 1.850 -5.075 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.356 -1.101 -3.799 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.336 -1.918 -2.507 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.518 -3.397 -2.808 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.040 -1.682 -1.746 1.00 0.00 C ATOM 0 H LEU A 109 -3.672 -0.058 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.963 0.802 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.116 -1.520 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.396 -1.226 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.166 -1.591 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.501 -3.963 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.474 -3.551 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.710 -3.739 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.044 -2.272 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.805 -1.980 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.048 -0.625 -1.497 1.00 0.00 H new ATOM 1736 N MET A 110 -2.208 0.902 -5.942 1.00 0.00 N ATOM 1737 CA MET A 110 -2.052 1.533 -7.247 1.00 0.00 C ATOM 1738 C MET A 110 -2.007 3.052 -7.115 1.00 0.00 C ATOM 1739 O MET A 110 -1.322 3.730 -7.880 1.00 0.00 O ATOM 1740 CB MET A 110 -3.197 1.124 -8.176 1.00 0.00 C ATOM 1741 CG MET A 110 -3.075 -0.297 -8.702 1.00 0.00 C ATOM 1742 SD MET A 110 -2.154 -0.388 -10.249 1.00 0.00 S ATOM 1743 CE MET A 110 -0.469 -0.348 -9.644 1.00 0.00 C ATOM 0 H MET A 110 -3.025 0.297 -5.861 1.00 0.00 H new ATOM 0 HA MET A 110 -1.108 1.195 -7.675 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.141 1.225 -7.641 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.233 1.813 -9.020 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.582 -0.916 -7.953 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.072 -0.712 -8.852 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.173 -0.917 -10.317 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.123 0.685 -9.599 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.430 -0.787 -8.647 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.741 3.579 -6.140 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.785 5.018 -5.910 1.00 0.00 C ATOM 1755 C GLU A 111 -1.461 5.518 -5.340 1.00 0.00 C ATOM 1756 O GLU A 111 -0.737 6.271 -5.991 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.928 5.370 -4.956 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.271 5.533 -5.649 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.275 6.294 -4.804 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -5.898 7.337 -4.231 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -7.437 5.845 -4.718 1.00 0.00 O ATOM 0 H GLU A 111 -3.313 3.031 -5.497 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.957 5.508 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.011 4.590 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.683 6.295 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.127 6.056 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.674 4.549 -5.888 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.151 5.094 -4.119 1.00 0.00 N ATOM 1769 CA ALA A 112 0.086 5.497 -3.461 1.00 0.00 C ATOM 1770 C ALA A 112 1.283 5.326 -4.391 1.00 0.00 C ATOM 1771 O ALA A 112 2.199 6.147 -4.396 1.00 0.00 O ATOM 1772 CB ALA A 112 0.289 4.698 -2.183 1.00 0.00 C ATOM 0 H ALA A 112 -1.740 4.471 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 112 0.005 6.554 -3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.216 5.010 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.547 4.875 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.344 3.636 -2.423 1.00 0.00 H new ATOM 1778 N ASN A 113 1.268 4.254 -5.175 1.00 0.00 N ATOM 1779 CA ASN A 113 2.354 3.974 -6.108 1.00 0.00 C ATOM 1780 C ASN A 113 2.477 5.084 -7.148 1.00 0.00 C ATOM 1781 O ASN A 113 3.569 5.370 -7.639 1.00 0.00 O ATOM 1782 CB ASN A 113 2.123 2.631 -6.805 1.00 0.00 C ATOM 1783 CG ASN A 113 2.781 2.567 -8.169 1.00 0.00 C ATOM 1784 OD1 ASN A 113 4.006 2.529 -8.279 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.967 2.556 -9.219 1.00 0.00 N ATOM 0 H ASN A 113 0.516 3.565 -5.183 1.00 0.00 H new ATOM 0 HA ASN A 113 3.283 3.926 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.512 1.828 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.052 2.460 -6.913 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.352 2.515 -10.163 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.957 2.589 -9.082 1.00 0.00 H new ATOM 1792 N SER A 114 1.350 5.707 -7.477 1.00 0.00 N ATOM 1793 CA SER A 114 1.331 6.784 -8.460 1.00 0.00 C ATOM 1794 C SER A 114 0.728 8.052 -7.864 1.00 0.00 C ATOM 1795 O SER A 114 -0.075 8.733 -8.504 1.00 0.00 O ATOM 1796 CB SER A 114 0.537 6.359 -9.697 1.00 0.00 C ATOM 1797 OG SER A 114 1.353 5.643 -10.607 1.00 0.00 O ATOM 0 H SER A 114 0.438 5.485 -7.077 1.00 0.00 H new ATOM 0 HA SER A 114 2.360 6.995 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.307 5.739 -9.395 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.125 7.240 -10.189 1.00 0.00 H new ATOM 0 HG SER A 114 0.821 5.382 -11.388 1.00 0.00 H new ATOM 1803 N THR A 115 1.120 8.365 -6.633 1.00 0.00 N ATOM 1804 CA THR A 115 0.619 9.551 -5.950 1.00 0.00 C ATOM 1805 C THR A 115 1.529 9.944 -4.792 1.00 0.00 C ATOM 1806 O THR A 115 1.537 9.312 -3.735 1.00 0.00 O ATOM 1807 CB THR A 115 -0.808 9.328 -5.413 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.682 8.959 -6.486 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.333 10.584 -4.734 1.00 0.00 C ATOM 0 H THR A 115 1.783 7.813 -6.089 1.00 0.00 H new ATOM 0 HA THR A 115 0.602 10.356 -6.685 1.00 0.00 H new ATOM 0 HB THR A 115 -0.775 8.524 -4.678 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.276 9.214 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.342 10.402 -4.363 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.682 10.846 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.352 11.404 -5.451 1.00 0.00 H new ATOM 1817 N PRO A 116 2.315 11.012 -4.992 1.00 0.00 N ATOM 1818 CA PRO A 116 3.243 11.514 -3.975 1.00 0.00 C ATOM 1819 C PRO A 116 2.519 12.146 -2.791 1.00 0.00 C ATOM 1820 O PRO A 116 1.320 12.418 -2.858 1.00 0.00 O ATOM 1821 CB PRO A 116 4.058 12.568 -4.728 1.00 0.00 C ATOM 1822 CG PRO A 116 3.168 13.016 -5.835 1.00 0.00 C ATOM 1823 CD PRO A 116 2.357 11.812 -6.227 1.00 0.00 C ATOM 0 HA PRO A 116 3.847 10.715 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.328 13.399 -4.077 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.988 12.149 -5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.523 13.833 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.751 13.386 -6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.357 12.092 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.823 11.263 -7.046 1.00 0.00 H new