USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 451 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 37 CYS SG : rot 167:sc= -0.939 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -2.11 K(o=-2.2,f=-3.1) USER MOD Set 1.3: A 62 CYS SG : rot 50:sc= 0.467 USER MOD Set 1.4: A 65 CYS SG : rot -45:sc= 0.385 USER MOD Set 2.1: A 22 CYS SG : rot 99:sc= 0.808 USER MOD Set 2.2: A 25 CYS SG : rot -64:sc= 0.288 USER MOD Set 2.3: A 42 CYS SG : rot 79:sc= 0.877 USER MOD Set 2.4: A 45 CYS SG : rot 131:sc= -0.625 USER MOD Single : A 5 SER OG : rot -56:sc= 0.00265 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 30:sc= 0.213 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 20:sc= 0.305 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.52 USER MOD Single : A 47 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 49 ASN : amide:sc= -0.404 X(o=-0.4,f=-0.039) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.8) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.996 K(o=-1,f=-2.4!) USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= -0.0982 (180deg=-0.486) USER MOD ----------------------------------------------------------------- ATOM 30 N GLY A 4 -11.371 -4.808 -44.675 1.00 0.00 N ATOM 31 CA GLY A 4 -10.624 -5.547 -43.673 1.00 0.00 C ATOM 32 C GLY A 4 -9.661 -4.666 -42.902 1.00 0.00 C ATOM 33 O GLY A 4 -9.899 -4.347 -41.737 1.00 0.00 O ATOM 0 HA2 GLY A 4 -11.320 -6.015 -42.977 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.069 -6.350 -44.157 1.00 0.00 H new ATOM 37 N SER A 5 -8.571 -4.274 -43.552 1.00 0.00 N ATOM 38 CA SER A 5 -7.565 -3.429 -42.917 1.00 0.00 C ATOM 39 C SER A 5 -7.016 -4.091 -41.657 1.00 0.00 C ATOM 40 O SER A 5 -6.823 -3.436 -40.633 1.00 0.00 O ATOM 41 CB SER A 5 -8.161 -2.063 -42.572 1.00 0.00 C ATOM 42 OG SER A 5 -7.146 -1.083 -42.441 1.00 0.00 O ATOM 0 H SER A 5 -8.361 -4.527 -44.517 1.00 0.00 H new ATOM 0 HA SER A 5 -6.744 -3.292 -43.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.863 -1.762 -43.349 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.726 -2.133 -41.642 1.00 0.00 H new ATOM 0 HG SER A 5 -6.495 -1.374 -41.769 1.00 0.00 H new ATOM 48 N SER A 6 -6.768 -5.394 -41.741 1.00 0.00 N ATOM 49 CA SER A 6 -6.245 -6.147 -40.607 1.00 0.00 C ATOM 50 C SER A 6 -5.106 -7.063 -41.042 1.00 0.00 C ATOM 51 O SER A 6 -5.092 -7.566 -42.165 1.00 0.00 O ATOM 52 CB SER A 6 -7.359 -6.972 -39.958 1.00 0.00 C ATOM 53 OG SER A 6 -7.665 -8.116 -40.736 1.00 0.00 O ATOM 0 H SER A 6 -6.921 -5.950 -42.582 1.00 0.00 H new ATOM 0 HA SER A 6 -5.857 -5.436 -39.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.053 -7.280 -38.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.252 -6.357 -39.843 1.00 0.00 H new ATOM 0 HG SER A 6 -8.378 -8.627 -40.300 1.00 0.00 H new ATOM 59 N GLY A 7 -4.149 -7.276 -40.144 1.00 0.00 N ATOM 60 CA GLY A 7 -3.018 -8.131 -40.452 1.00 0.00 C ATOM 61 C GLY A 7 -2.120 -8.360 -39.253 1.00 0.00 C ATOM 62 O GLY A 7 -1.839 -7.434 -38.494 1.00 0.00 O ATOM 0 H GLY A 7 -4.137 -6.871 -39.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.382 -9.091 -40.818 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.436 -7.682 -41.257 1.00 0.00 H new ATOM 66 N MET A 8 -1.670 -9.599 -39.081 1.00 0.00 N ATOM 67 CA MET A 8 -0.798 -9.947 -37.964 1.00 0.00 C ATOM 68 C MET A 8 -0.066 -11.257 -38.234 1.00 0.00 C ATOM 69 O MET A 8 -0.344 -11.944 -39.216 1.00 0.00 O ATOM 70 CB MET A 8 -1.610 -10.059 -36.672 1.00 0.00 C ATOM 71 CG MET A 8 -2.541 -11.260 -36.642 1.00 0.00 C ATOM 72 SD MET A 8 -3.215 -11.576 -35.000 1.00 0.00 S ATOM 73 CE MET A 8 -1.934 -12.616 -34.303 1.00 0.00 C ATOM 0 H MET A 8 -1.894 -10.378 -39.700 1.00 0.00 H new ATOM 0 HA MET A 8 -0.058 -9.155 -37.852 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.925 -10.119 -35.826 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.198 -9.150 -36.542 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.361 -11.097 -37.342 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.000 -12.142 -36.985 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.206 -12.896 -33.285 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.825 -13.515 -34.910 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.990 -12.071 -34.289 1.00 0.00 H new ATOM 83 N ALA A 9 0.872 -11.597 -37.356 1.00 0.00 N ATOM 84 CA ALA A 9 1.643 -12.826 -37.499 1.00 0.00 C ATOM 85 C ALA A 9 2.529 -13.063 -36.280 1.00 0.00 C ATOM 86 O ALA A 9 3.469 -12.310 -36.028 1.00 0.00 O ATOM 87 CB ALA A 9 2.486 -12.776 -38.765 1.00 0.00 C ATOM 0 H ALA A 9 1.116 -11.039 -36.538 1.00 0.00 H new ATOM 0 HA ALA A 9 0.943 -13.658 -37.574 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.056 -13.700 -38.859 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.835 -12.662 -39.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.172 -11.930 -38.712 1.00 0.00 H new ATOM 93 N SER A 10 2.222 -14.114 -35.527 1.00 0.00 N ATOM 94 CA SER A 10 2.987 -14.448 -34.332 1.00 0.00 C ATOM 95 C SER A 10 2.934 -15.947 -34.053 1.00 0.00 C ATOM 96 O SER A 10 1.882 -16.490 -33.717 1.00 0.00 O ATOM 97 CB SER A 10 2.452 -13.675 -33.125 1.00 0.00 C ATOM 98 OG SER A 10 3.092 -12.416 -33.001 1.00 0.00 O ATOM 0 H SER A 10 1.448 -14.749 -35.724 1.00 0.00 H new ATOM 0 HA SER A 10 4.025 -14.165 -34.506 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.377 -13.531 -33.229 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.609 -14.257 -32.217 1.00 0.00 H new ATOM 0 HG SER A 10 3.355 -12.094 -33.888 1.00 0.00 H new ATOM 104 N SER A 11 4.077 -16.610 -34.197 1.00 0.00 N ATOM 105 CA SER A 11 4.162 -18.047 -33.965 1.00 0.00 C ATOM 106 C SER A 11 5.404 -18.394 -33.150 1.00 0.00 C ATOM 107 O SER A 11 6.524 -18.358 -33.659 1.00 0.00 O ATOM 108 CB SER A 11 4.185 -18.800 -35.297 1.00 0.00 C ATOM 109 OG SER A 11 2.877 -18.940 -35.826 1.00 0.00 O ATOM 0 H SER A 11 4.957 -16.175 -34.473 1.00 0.00 H new ATOM 0 HA SER A 11 3.281 -18.351 -33.399 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.814 -18.266 -36.010 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.630 -19.785 -35.154 1.00 0.00 H new ATOM 0 HG SER A 11 2.919 -19.423 -36.678 1.00 0.00 H new ATOM 115 N VAL A 12 5.197 -18.731 -31.881 1.00 0.00 N ATOM 116 CA VAL A 12 6.299 -19.086 -30.995 1.00 0.00 C ATOM 117 C VAL A 12 5.942 -20.290 -30.130 1.00 0.00 C ATOM 118 O VAL A 12 4.808 -20.423 -29.669 1.00 0.00 O ATOM 119 CB VAL A 12 6.686 -17.908 -30.081 1.00 0.00 C ATOM 120 CG1 VAL A 12 7.909 -18.258 -29.247 1.00 0.00 C ATOM 121 CG2 VAL A 12 6.934 -16.654 -30.906 1.00 0.00 C ATOM 0 H VAL A 12 4.276 -18.766 -31.444 1.00 0.00 H new ATOM 0 HA VAL A 12 7.148 -19.337 -31.630 1.00 0.00 H new ATOM 0 HB VAL A 12 5.857 -17.711 -29.401 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.167 -17.414 -28.608 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.690 -19.128 -28.628 1.00 0.00 H new ATOM 0 HG13 VAL A 12 8.747 -18.483 -29.907 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.206 -15.831 -30.245 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.745 -16.837 -31.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.028 -16.394 -31.454 1.00 0.00 H new ATOM 131 N LEU A 13 6.918 -21.164 -29.912 1.00 0.00 N ATOM 132 CA LEU A 13 6.709 -22.358 -29.100 1.00 0.00 C ATOM 133 C LEU A 13 6.896 -22.049 -27.618 1.00 0.00 C ATOM 134 O LEU A 13 7.272 -22.921 -26.836 1.00 0.00 O ATOM 135 CB LEU A 13 7.674 -23.465 -29.528 1.00 0.00 C ATOM 136 CG LEU A 13 9.122 -23.310 -29.062 1.00 0.00 C ATOM 137 CD1 LEU A 13 9.856 -24.639 -29.149 1.00 0.00 C ATOM 138 CD2 LEU A 13 9.837 -22.249 -29.887 1.00 0.00 C ATOM 0 H LEU A 13 7.862 -21.069 -30.286 1.00 0.00 H new ATOM 0 HA LEU A 13 5.685 -22.698 -29.254 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.293 -24.416 -29.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.668 -23.524 -30.616 1.00 0.00 H new ATOM 0 HG LEU A 13 9.116 -22.989 -28.020 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.885 -24.509 -28.813 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.357 -25.372 -28.515 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.853 -24.990 -30.181 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.866 -22.152 -29.542 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.833 -22.541 -30.937 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.325 -21.294 -29.774 1.00 0.00 H new ATOM 150 N GLU A 14 6.627 -20.804 -27.240 1.00 0.00 N ATOM 151 CA GLU A 14 6.765 -20.381 -25.851 1.00 0.00 C ATOM 152 C GLU A 14 5.415 -20.402 -25.140 1.00 0.00 C ATOM 153 O GLU A 14 4.459 -19.764 -25.582 1.00 0.00 O ATOM 154 CB GLU A 14 7.370 -18.978 -25.779 1.00 0.00 C ATOM 155 CG GLU A 14 8.217 -18.743 -24.540 1.00 0.00 C ATOM 156 CD GLU A 14 9.061 -17.488 -24.639 1.00 0.00 C ATOM 157 OE1 GLU A 14 8.629 -16.533 -25.319 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.155 -17.460 -24.037 1.00 0.00 O ATOM 0 H GLU A 14 6.312 -20.071 -27.875 1.00 0.00 H new ATOM 0 HA GLU A 14 7.432 -21.082 -25.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.983 -18.810 -26.665 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.566 -18.243 -25.804 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.567 -18.671 -23.668 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.868 -19.603 -24.381 1.00 0.00 H new ATOM 165 N MET A 15 5.345 -21.140 -24.037 1.00 0.00 N ATOM 166 CA MET A 15 4.112 -21.243 -23.264 1.00 0.00 C ATOM 167 C MET A 15 4.130 -20.281 -22.081 1.00 0.00 C ATOM 168 O MET A 15 3.629 -20.599 -21.003 1.00 0.00 O ATOM 169 CB MET A 15 3.916 -22.677 -22.768 1.00 0.00 C ATOM 170 CG MET A 15 3.640 -23.674 -23.882 1.00 0.00 C ATOM 171 SD MET A 15 2.592 -25.040 -23.347 1.00 0.00 S ATOM 172 CE MET A 15 3.827 -26.244 -22.863 1.00 0.00 C ATOM 0 H MET A 15 6.126 -21.675 -23.658 1.00 0.00 H new ATOM 0 HA MET A 15 3.280 -20.974 -23.915 1.00 0.00 H new ATOM 0 HB2 MET A 15 4.808 -22.990 -22.225 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.088 -22.698 -22.060 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.162 -23.159 -24.715 1.00 0.00 H new ATOM 0 HG3 MET A 15 4.586 -24.070 -24.253 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.334 -27.149 -22.508 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.455 -26.486 -23.721 1.00 0.00 H new ATOM 0 HE3 MET A 15 4.445 -25.831 -22.066 1.00 0.00 H new ATOM 182 N ILE A 16 4.711 -19.104 -22.290 1.00 0.00 N ATOM 183 CA ILE A 16 4.792 -18.096 -21.241 1.00 0.00 C ATOM 184 C ILE A 16 3.706 -17.039 -21.408 1.00 0.00 C ATOM 185 O ILE A 16 3.572 -16.432 -22.470 1.00 0.00 O ATOM 186 CB ILE A 16 6.168 -17.404 -21.231 1.00 0.00 C ATOM 187 CG1 ILE A 16 7.274 -18.424 -20.952 1.00 0.00 C ATOM 188 CG2 ILE A 16 6.194 -16.290 -20.194 1.00 0.00 C ATOM 189 CD1 ILE A 16 7.075 -19.195 -19.666 1.00 0.00 C ATOM 0 H ILE A 16 5.132 -18.826 -23.176 1.00 0.00 H new ATOM 0 HA ILE A 16 4.648 -18.615 -20.293 1.00 0.00 H new ATOM 0 HB ILE A 16 6.344 -16.964 -22.213 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.327 -19.127 -21.783 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.232 -17.906 -20.911 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.173 -15.811 -20.199 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.428 -15.553 -20.433 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.000 -16.708 -19.206 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.896 -19.899 -19.533 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.052 -18.501 -18.826 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.133 -19.741 -19.711 1.00 0.00 H new ATOM 201 N LYS A 17 2.931 -16.823 -20.350 1.00 0.00 N ATOM 202 CA LYS A 17 1.857 -15.837 -20.376 1.00 0.00 C ATOM 203 C LYS A 17 2.412 -14.423 -20.241 1.00 0.00 C ATOM 204 O LYS A 17 3.222 -14.148 -19.356 1.00 0.00 O ATOM 205 CB LYS A 17 0.856 -16.113 -19.252 1.00 0.00 C ATOM 206 CG LYS A 17 -0.537 -15.577 -19.533 1.00 0.00 C ATOM 207 CD LYS A 17 -1.256 -16.412 -20.579 1.00 0.00 C ATOM 208 CE LYS A 17 -2.760 -16.191 -20.532 1.00 0.00 C ATOM 209 NZ LYS A 17 -3.465 -16.941 -21.609 1.00 0.00 N ATOM 0 H LYS A 17 3.027 -17.318 -19.463 1.00 0.00 H new ATOM 0 HA LYS A 17 1.347 -15.918 -21.336 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.796 -17.189 -19.087 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.228 -15.669 -18.329 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.118 -15.569 -18.611 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.468 -14.544 -19.875 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.881 -16.157 -21.570 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.037 -17.467 -20.417 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.143 -16.504 -19.561 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.974 -15.127 -20.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.488 -16.764 -21.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.118 -16.624 -22.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.282 -17.959 -21.500 1.00 0.00 H new ATOM 269 N THR A 21 1.201 -11.557 -15.943 1.00 0.00 N ATOM 270 CA THR A 21 2.418 -11.024 -15.343 1.00 0.00 C ATOM 271 C THR A 21 2.485 -9.508 -15.491 1.00 0.00 C ATOM 272 O THR A 21 1.790 -8.924 -16.323 1.00 0.00 O ATOM 273 CB THR A 21 3.676 -11.647 -15.976 1.00 0.00 C ATOM 274 OG1 THR A 21 3.494 -13.057 -16.144 1.00 0.00 O ATOM 275 CG2 THR A 21 4.901 -11.388 -15.112 1.00 0.00 C ATOM 0 HA THR A 21 2.388 -11.282 -14.284 1.00 0.00 H new ATOM 0 HB THR A 21 3.833 -11.183 -16.950 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.537 -13.268 -16.127 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.777 -11.837 -15.579 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.054 -10.314 -15.011 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.750 -11.827 -14.126 1.00 0.00 H new ATOM 283 N CYS A 22 3.326 -8.876 -14.680 1.00 0.00 N ATOM 284 CA CYS A 22 3.484 -7.427 -14.721 1.00 0.00 C ATOM 285 C CYS A 22 3.962 -6.971 -16.096 1.00 0.00 C ATOM 286 O CYS A 22 5.038 -7.346 -16.563 1.00 0.00 O ATOM 287 CB CYS A 22 4.475 -6.971 -13.647 1.00 0.00 C ATOM 288 SG CYS A 22 4.631 -5.162 -13.500 1.00 0.00 S ATOM 0 H CYS A 22 3.909 -9.344 -13.986 1.00 0.00 H new ATOM 0 HA CYS A 22 2.512 -6.974 -14.525 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.164 -7.378 -12.685 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.455 -7.393 -13.870 1.00 0.00 H new ATOM 0 HG CYS A 22 3.904 -4.743 -12.507 1.00 0.00 H new ATOM 293 N PRO A 23 3.145 -6.141 -16.761 1.00 0.00 N ATOM 294 CA PRO A 23 3.463 -5.614 -18.091 1.00 0.00 C ATOM 295 C PRO A 23 4.613 -4.613 -18.059 1.00 0.00 C ATOM 296 O PRO A 23 4.930 -3.986 -19.070 1.00 0.00 O ATOM 297 CB PRO A 23 2.165 -4.924 -18.519 1.00 0.00 C ATOM 298 CG PRO A 23 1.487 -4.567 -17.242 1.00 0.00 C ATOM 299 CD PRO A 23 1.848 -5.652 -16.265 1.00 0.00 C ATOM 0 HA PRO A 23 3.789 -6.399 -18.773 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.367 -4.038 -19.121 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.546 -5.586 -19.124 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.818 -3.593 -16.883 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.407 -4.507 -17.377 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.926 -5.267 -15.248 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.099 -6.444 -16.250 1.00 0.00 H new ATOM 307 N ILE A 24 5.234 -4.470 -16.893 1.00 0.00 N ATOM 308 CA ILE A 24 6.350 -3.546 -16.731 1.00 0.00 C ATOM 309 C ILE A 24 7.655 -4.298 -16.493 1.00 0.00 C ATOM 310 O ILE A 24 8.520 -4.353 -17.367 1.00 0.00 O ATOM 311 CB ILE A 24 6.110 -2.574 -15.561 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.852 -1.740 -15.812 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.319 -1.671 -15.366 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.305 -1.080 -14.565 1.00 0.00 C ATOM 0 H ILE A 24 4.983 -4.982 -16.047 1.00 0.00 H new ATOM 0 HA ILE A 24 6.425 -2.976 -17.657 1.00 0.00 H new ATOM 0 HB ILE A 24 5.963 -3.155 -14.650 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.077 -0.971 -16.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.082 -2.380 -16.242 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.134 -0.990 -14.536 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.196 -2.280 -15.147 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.494 -1.096 -16.275 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.414 -0.506 -14.818 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.048 -1.844 -13.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.059 -0.414 -14.145 1.00 0.00 H new ATOM 326 N CYS A 25 7.790 -4.876 -15.305 1.00 0.00 N ATOM 327 CA CYS A 25 8.989 -5.627 -14.951 1.00 0.00 C ATOM 328 C CYS A 25 8.941 -7.036 -15.534 1.00 0.00 C ATOM 329 O CYS A 25 9.962 -7.719 -15.621 1.00 0.00 O ATOM 330 CB CYS A 25 9.142 -5.697 -13.430 1.00 0.00 C ATOM 331 SG CYS A 25 7.807 -6.609 -12.590 1.00 0.00 S ATOM 0 H CYS A 25 7.084 -4.839 -14.570 1.00 0.00 H new ATOM 0 HA CYS A 25 9.850 -5.108 -15.373 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.095 -6.169 -13.193 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.181 -4.683 -13.032 1.00 0.00 H new ATOM 0 HG CYS A 25 6.681 -5.981 -12.757 1.00 0.00 H new ATOM 336 N LEU A 26 7.748 -7.465 -15.932 1.00 0.00 N ATOM 337 CA LEU A 26 7.565 -8.793 -16.507 1.00 0.00 C ATOM 338 C LEU A 26 8.001 -9.876 -15.526 1.00 0.00 C ATOM 339 O LEU A 26 8.711 -10.811 -15.895 1.00 0.00 O ATOM 340 CB LEU A 26 8.358 -8.919 -17.809 1.00 0.00 C ATOM 341 CG LEU A 26 8.016 -7.908 -18.904 1.00 0.00 C ATOM 342 CD1 LEU A 26 9.044 -7.965 -20.023 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.618 -8.163 -19.449 1.00 0.00 C ATOM 0 H LEU A 26 6.893 -6.912 -15.867 1.00 0.00 H new ATOM 0 HA LEU A 26 6.504 -8.927 -16.720 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.419 -8.826 -17.575 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.206 -9.922 -18.208 1.00 0.00 H new ATOM 0 HG LEU A 26 8.038 -6.909 -18.468 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.784 -7.239 -20.793 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.031 -7.732 -19.623 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.055 -8.965 -20.456 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.392 -7.434 -20.227 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.569 -9.168 -19.868 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.891 -8.070 -18.643 1.00 0.00 H new ATOM 355 N GLU A 27 7.569 -9.744 -14.276 1.00 0.00 N ATOM 356 CA GLU A 27 7.914 -10.713 -13.242 1.00 0.00 C ATOM 357 C GLU A 27 6.744 -10.929 -12.287 1.00 0.00 C ATOM 358 O GLU A 27 5.782 -10.160 -12.281 1.00 0.00 O ATOM 359 CB GLU A 27 9.144 -10.243 -12.462 1.00 0.00 C ATOM 360 CG GLU A 27 10.461 -10.620 -13.119 1.00 0.00 C ATOM 361 CD GLU A 27 11.650 -10.423 -12.198 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.656 -11.022 -11.102 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.573 -9.670 -12.572 1.00 0.00 O ATOM 0 H GLU A 27 6.980 -8.976 -13.955 1.00 0.00 H new ATOM 0 HA GLU A 27 8.142 -11.661 -13.729 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.101 -9.160 -12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.113 -10.669 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.420 -11.662 -13.435 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.599 -10.020 -14.018 1.00 0.00 H new ATOM 370 N LEU A 28 6.833 -11.981 -11.480 1.00 0.00 N ATOM 371 CA LEU A 28 5.782 -12.300 -10.520 1.00 0.00 C ATOM 372 C LEU A 28 5.336 -11.051 -9.767 1.00 0.00 C ATOM 373 O LEU A 28 6.147 -10.366 -9.143 1.00 0.00 O ATOM 374 CB LEU A 28 6.273 -13.358 -9.530 1.00 0.00 C ATOM 375 CG LEU A 28 6.060 -14.815 -9.945 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.744 -15.754 -8.964 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.574 -15.130 -10.041 1.00 0.00 C ATOM 0 H LEU A 28 7.622 -12.627 -11.472 1.00 0.00 H new ATOM 0 HA LEU A 28 4.928 -12.695 -11.070 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.338 -13.201 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.771 -13.195 -8.576 1.00 0.00 H new ATOM 0 HG LEU A 28 6.506 -14.962 -10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.582 -16.786 -9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.813 -15.544 -8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.328 -15.606 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.441 -16.170 -10.337 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.104 -14.966 -9.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.111 -14.479 -10.783 1.00 0.00 H new ATOM 389 N LEU A 29 4.040 -10.762 -9.826 1.00 0.00 N ATOM 390 CA LEU A 29 3.484 -9.597 -9.148 1.00 0.00 C ATOM 391 C LEU A 29 3.598 -9.743 -7.634 1.00 0.00 C ATOM 392 O LEU A 29 2.876 -10.529 -7.019 1.00 0.00 O ATOM 393 CB LEU A 29 2.020 -9.402 -9.544 1.00 0.00 C ATOM 394 CG LEU A 29 1.755 -9.145 -11.028 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.394 -9.692 -11.430 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.846 -7.657 -11.336 1.00 0.00 C ATOM 0 H LEU A 29 3.355 -11.319 -10.337 1.00 0.00 H new ATOM 0 HA LEU A 29 4.056 -8.721 -9.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.462 -10.289 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.618 -8.565 -8.973 1.00 0.00 H new ATOM 0 HG LEU A 29 2.518 -9.663 -11.609 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.223 -9.500 -12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.365 -10.766 -11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.383 -9.203 -10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.655 -7.493 -12.396 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.105 -7.117 -10.746 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.843 -7.294 -11.087 1.00 0.00 H new ATOM 408 N LYS A 30 4.507 -8.979 -7.037 1.00 0.00 N ATOM 409 CA LYS A 30 4.714 -9.020 -5.595 1.00 0.00 C ATOM 410 C LYS A 30 3.796 -8.029 -4.886 1.00 0.00 C ATOM 411 O LYS A 30 3.959 -6.816 -5.016 1.00 0.00 O ATOM 412 CB LYS A 30 6.174 -8.709 -5.259 1.00 0.00 C ATOM 413 CG LYS A 30 7.158 -9.710 -5.839 1.00 0.00 C ATOM 414 CD LYS A 30 8.390 -9.855 -4.961 1.00 0.00 C ATOM 415 CE LYS A 30 8.070 -10.591 -3.669 1.00 0.00 C ATOM 416 NZ LYS A 30 8.220 -12.065 -3.819 1.00 0.00 N ATOM 0 H LYS A 30 5.112 -8.323 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 30 4.474 -10.025 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.419 -7.714 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.291 -8.683 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.671 -10.679 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.457 -9.391 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.165 -10.394 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.791 -8.868 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.730 -10.238 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.050 -10.359 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.993 -12.531 -2.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.572 -12.406 -4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.200 -12.289 -4.087 1.00 0.00 H new ATOM 430 N GLU A 31 2.833 -8.554 -4.135 1.00 0.00 N ATOM 431 CA GLU A 31 1.891 -7.714 -3.405 1.00 0.00 C ATOM 432 C GLU A 31 1.362 -6.591 -4.293 1.00 0.00 C ATOM 433 O GLU A 31 1.442 -5.410 -3.957 1.00 0.00 O ATOM 434 CB GLU A 31 2.557 -7.123 -2.160 1.00 0.00 C ATOM 435 CG GLU A 31 2.607 -8.083 -0.983 1.00 0.00 C ATOM 436 CD GLU A 31 3.493 -9.285 -1.247 1.00 0.00 C ATOM 437 OE1 GLU A 31 4.731 -9.134 -1.189 1.00 0.00 O ATOM 438 OE2 GLU A 31 2.947 -10.377 -1.512 1.00 0.00 O ATOM 0 H GLU A 31 2.685 -9.556 -4.016 1.00 0.00 H new ATOM 0 HA GLU A 31 1.052 -8.338 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.572 -6.817 -2.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.018 -6.224 -1.862 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.972 -7.554 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.597 -8.424 -0.754 1.00 0.00 H new ATOM 445 N PRO A 32 0.808 -6.968 -5.455 1.00 0.00 N ATOM 446 CA PRO A 32 0.254 -6.009 -6.416 1.00 0.00 C ATOM 447 C PRO A 32 -1.024 -5.351 -5.907 1.00 0.00 C ATOM 448 O PRO A 32 -1.460 -5.605 -4.785 1.00 0.00 O ATOM 449 CB PRO A 32 -0.041 -6.870 -7.646 1.00 0.00 C ATOM 450 CG PRO A 32 -0.236 -8.246 -7.108 1.00 0.00 C ATOM 451 CD PRO A 32 0.678 -8.359 -5.920 1.00 0.00 C ATOM 0 HA PRO A 32 0.940 -5.184 -6.611 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.930 -6.520 -8.170 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.783 -6.837 -8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.274 -8.408 -6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.006 -8.997 -7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.256 -9.003 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.644 -8.782 -6.195 1.00 0.00 H new ATOM 459 N VAL A 33 -1.620 -4.505 -6.741 1.00 0.00 N ATOM 460 CA VAL A 33 -2.849 -3.811 -6.376 1.00 0.00 C ATOM 461 C VAL A 33 -3.743 -3.600 -7.593 1.00 0.00 C ATOM 462 O VAL A 33 -3.294 -3.106 -8.628 1.00 0.00 O ATOM 463 CB VAL A 33 -2.553 -2.446 -5.728 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.920 -2.631 -4.357 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.655 -1.612 -6.630 1.00 0.00 C ATOM 0 H VAL A 33 -1.272 -4.284 -7.674 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.366 -4.443 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.495 -1.914 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.718 -1.655 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.602 -3.187 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.986 -3.183 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.456 -0.651 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.714 -2.138 -6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.151 -1.449 -7.587 1.00 0.00 H new ATOM 475 N SER A 34 -5.011 -3.977 -7.462 1.00 0.00 N ATOM 476 CA SER A 34 -5.968 -3.832 -8.552 1.00 0.00 C ATOM 477 C SER A 34 -6.334 -2.366 -8.763 1.00 0.00 C ATOM 478 O SER A 34 -6.216 -1.548 -7.851 1.00 0.00 O ATOM 479 CB SER A 34 -7.230 -4.648 -8.263 1.00 0.00 C ATOM 480 OG SER A 34 -7.913 -4.145 -7.129 1.00 0.00 O ATOM 0 H SER A 34 -5.399 -4.385 -6.612 1.00 0.00 H new ATOM 0 HA SER A 34 -5.502 -4.207 -9.463 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.890 -4.622 -9.130 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.962 -5.691 -8.097 1.00 0.00 H new ATOM 0 HG SER A 34 -8.716 -4.682 -6.966 1.00 0.00 H new ATOM 486 N ALA A 35 -6.778 -2.041 -9.973 1.00 0.00 N ATOM 487 CA ALA A 35 -7.163 -0.675 -10.304 1.00 0.00 C ATOM 488 C ALA A 35 -8.543 -0.635 -10.952 1.00 0.00 C ATOM 489 O ALA A 35 -9.104 -1.673 -11.304 1.00 0.00 O ATOM 490 CB ALA A 35 -6.128 -0.043 -11.223 1.00 0.00 C ATOM 0 H ALA A 35 -6.880 -2.706 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.209 -0.102 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.428 0.977 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.159 -0.028 -10.724 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.054 -0.624 -12.142 1.00 0.00 H new ATOM 496 N ASP A 36 -9.085 0.568 -11.106 1.00 0.00 N ATOM 497 CA ASP A 36 -10.399 0.743 -11.713 1.00 0.00 C ATOM 498 C ASP A 36 -10.460 0.071 -13.081 1.00 0.00 C ATOM 499 O ASP A 36 -11.509 -0.423 -13.496 1.00 0.00 O ATOM 500 CB ASP A 36 -10.730 2.230 -11.846 1.00 0.00 C ATOM 501 CG ASP A 36 -12.222 2.487 -11.920 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.923 2.197 -10.928 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.688 2.979 -12.969 1.00 0.00 O ATOM 0 H ASP A 36 -8.634 1.437 -10.819 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.137 0.272 -11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.313 2.769 -10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.251 2.627 -12.741 1.00 0.00 H new ATOM 508 N CYS A 37 -9.329 0.057 -13.778 1.00 0.00 N ATOM 509 CA CYS A 37 -9.253 -0.553 -15.101 1.00 0.00 C ATOM 510 C CYS A 37 -8.900 -2.034 -14.998 1.00 0.00 C ATOM 511 O CYS A 37 -8.151 -2.562 -15.818 1.00 0.00 O ATOM 512 CB CYS A 37 -8.215 0.172 -15.960 1.00 0.00 C ATOM 513 SG CYS A 37 -6.589 0.359 -15.161 1.00 0.00 S ATOM 0 H CYS A 37 -8.452 0.461 -13.449 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.232 -0.463 -15.572 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.088 -0.374 -16.895 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.598 1.160 -16.217 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.711 0.729 -16.045 1.00 0.00 H new ATOM 518 N ASN A 38 -9.446 -2.697 -13.984 1.00 0.00 N ATOM 519 CA ASN A 38 -9.189 -4.117 -13.773 1.00 0.00 C ATOM 520 C ASN A 38 -7.738 -4.461 -14.094 1.00 0.00 C ATOM 521 O ASN A 38 -7.447 -5.524 -14.645 1.00 0.00 O ATOM 522 CB ASN A 38 -10.128 -4.961 -14.638 1.00 0.00 C ATOM 523 CG ASN A 38 -11.585 -4.590 -14.440 1.00 0.00 C ATOM 524 OD1 ASN A 38 -12.225 -4.039 -15.336 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.117 -4.892 -13.261 1.00 0.00 N ATOM 0 H ASN A 38 -10.069 -2.274 -13.296 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.373 -4.342 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.863 -4.834 -15.688 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.988 -6.015 -14.399 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.093 -4.667 -13.069 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.549 -5.349 -12.547 1.00 0.00 H new ATOM 532 N HIS A 39 -6.830 -3.555 -13.746 1.00 0.00 N ATOM 533 CA HIS A 39 -5.408 -3.762 -13.996 1.00 0.00 C ATOM 534 C HIS A 39 -4.613 -3.703 -12.695 1.00 0.00 C ATOM 535 O HIS A 39 -4.754 -2.764 -11.912 1.00 0.00 O ATOM 536 CB HIS A 39 -4.882 -2.713 -14.976 1.00 0.00 C ATOM 537 CG HIS A 39 -5.431 -2.859 -16.362 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.365 -1.858 -17.308 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.058 -3.899 -16.961 1.00 0.00 C ATOM 540 CE1 HIS A 39 -5.928 -2.275 -18.428 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.356 -3.511 -18.244 1.00 0.00 N ATOM 0 H HIS A 39 -7.054 -2.670 -13.290 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.282 -4.752 -14.434 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.128 -1.720 -14.599 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.795 -2.778 -15.016 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.947 -0.939 -17.165 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.282 -4.856 -16.513 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.022 -1.703 -19.339 1.00 0.00 H new ATOM 549 N SER A 40 -3.779 -4.713 -12.470 1.00 0.00 N ATOM 550 CA SER A 40 -2.966 -4.779 -11.262 1.00 0.00 C ATOM 551 C SER A 40 -1.479 -4.782 -11.607 1.00 0.00 C ATOM 552 O SER A 40 -1.071 -5.319 -12.637 1.00 0.00 O ATOM 553 CB SER A 40 -3.316 -6.029 -10.453 1.00 0.00 C ATOM 554 OG SER A 40 -4.719 -6.206 -10.370 1.00 0.00 O ATOM 0 H SER A 40 -3.649 -5.497 -13.109 1.00 0.00 H new ATOM 0 HA SER A 40 -3.180 -3.895 -10.661 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.863 -6.905 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.897 -5.946 -9.450 1.00 0.00 H new ATOM 0 HG SER A 40 -4.917 -7.012 -9.849 1.00 0.00 H new ATOM 560 N PHE A 41 -0.675 -4.179 -10.738 1.00 0.00 N ATOM 561 CA PHE A 41 0.766 -4.111 -10.950 1.00 0.00 C ATOM 562 C PHE A 41 1.515 -4.183 -9.622 1.00 0.00 C ATOM 563 O PHE A 41 0.929 -4.001 -8.555 1.00 0.00 O ATOM 564 CB PHE A 41 1.134 -2.822 -11.687 1.00 0.00 C ATOM 565 CG PHE A 41 0.152 -2.443 -12.758 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.024 -1.785 -12.437 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.405 -2.745 -14.087 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.930 -1.434 -13.420 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.497 -2.396 -15.075 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.666 -1.741 -14.741 1.00 0.00 C ATOM 0 H PHE A 41 -0.997 -3.730 -9.880 1.00 0.00 H new ATOM 0 HA PHE A 41 1.059 -4.966 -11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.205 -2.008 -10.966 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.121 -2.938 -12.135 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.236 -1.543 -11.406 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.317 -3.259 -14.354 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.843 -0.921 -13.156 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.288 -2.635 -16.107 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.373 -1.469 -15.511 1.00 0.00 H new ATOM 580 N CYS A 42 2.815 -4.450 -9.697 1.00 0.00 N ATOM 581 CA CYS A 42 3.645 -4.547 -8.503 1.00 0.00 C ATOM 582 C CYS A 42 3.593 -3.252 -7.697 1.00 0.00 C ATOM 583 O CYS A 42 3.842 -2.169 -8.226 1.00 0.00 O ATOM 584 CB CYS A 42 5.092 -4.863 -8.887 1.00 0.00 C ATOM 585 SG CYS A 42 5.260 -6.193 -10.121 1.00 0.00 S ATOM 0 H CYS A 42 3.316 -4.603 -10.572 1.00 0.00 H new ATOM 0 HA CYS A 42 3.255 -5.355 -7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.559 -3.959 -9.277 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.642 -5.144 -7.989 1.00 0.00 H new ATOM 0 HG CYS A 42 5.011 -5.720 -11.306 1.00 0.00 H new ATOM 590 N ARG A 43 3.268 -3.373 -6.414 1.00 0.00 N ATOM 591 CA ARG A 43 3.182 -2.213 -5.535 1.00 0.00 C ATOM 592 C ARG A 43 4.254 -1.185 -5.885 1.00 0.00 C ATOM 593 O ARG A 43 3.969 0.006 -6.008 1.00 0.00 O ATOM 594 CB ARG A 43 3.330 -2.641 -4.074 1.00 0.00 C ATOM 595 CG ARG A 43 3.210 -1.492 -3.087 1.00 0.00 C ATOM 596 CD ARG A 43 1.778 -1.319 -2.604 1.00 0.00 C ATOM 597 NE ARG A 43 1.033 -0.371 -3.427 1.00 0.00 N ATOM 598 CZ ARG A 43 1.205 0.945 -3.370 1.00 0.00 C ATOM 599 NH1 ARG A 43 2.092 1.465 -2.533 1.00 0.00 N ATOM 600 NH2 ARG A 43 0.489 1.744 -4.152 1.00 0.00 N ATOM 0 H ARG A 43 3.060 -4.262 -5.960 1.00 0.00 H new ATOM 0 HA ARG A 43 2.203 -1.755 -5.675 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.569 -3.387 -3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.299 -3.123 -3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.863 -1.674 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.550 -0.570 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.272 -2.285 -2.616 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.784 -0.975 -1.570 1.00 0.00 H new ATOM 0 HE ARG A 43 0.343 -0.739 -4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.644 0.854 -1.931 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.222 2.476 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.194 1.348 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.622 2.754 -4.107 1.00 0.00 H new ATOM 614 N ALA A 44 5.487 -1.654 -6.044 1.00 0.00 N ATOM 615 CA ALA A 44 6.600 -0.776 -6.382 1.00 0.00 C ATOM 616 C ALA A 44 6.439 -0.198 -7.784 1.00 0.00 C ATOM 617 O ALA A 44 6.628 0.999 -7.999 1.00 0.00 O ATOM 618 CB ALA A 44 7.918 -1.528 -6.267 1.00 0.00 C ATOM 0 H ALA A 44 5.740 -2.637 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 44 6.604 0.053 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.741 -0.861 -6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.045 -1.886 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.914 -2.377 -6.951 1.00 0.00 H new ATOM 624 N CYS A 45 6.088 -1.057 -8.736 1.00 0.00 N ATOM 625 CA CYS A 45 5.902 -0.633 -10.118 1.00 0.00 C ATOM 626 C CYS A 45 4.841 0.460 -10.213 1.00 0.00 C ATOM 627 O CYS A 45 5.153 1.620 -10.485 1.00 0.00 O ATOM 628 CB CYS A 45 5.502 -1.825 -10.990 1.00 0.00 C ATOM 629 SG CYS A 45 6.877 -2.955 -11.380 1.00 0.00 S ATOM 0 H CYS A 45 5.927 -2.051 -8.575 1.00 0.00 H new ATOM 0 HA CYS A 45 6.848 -0.229 -10.479 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.718 -2.386 -10.482 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.076 -1.453 -11.922 1.00 0.00 H new ATOM 0 HG CYS A 45 6.518 -4.179 -11.127 1.00 0.00 H new ATOM 634 N ILE A 46 3.588 0.081 -9.989 1.00 0.00 N ATOM 635 CA ILE A 46 2.481 1.028 -10.048 1.00 0.00 C ATOM 636 C ILE A 46 2.878 2.375 -9.453 1.00 0.00 C ATOM 637 O ILE A 46 2.517 3.429 -9.977 1.00 0.00 O ATOM 638 CB ILE A 46 1.243 0.495 -9.302 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.071 1.466 -9.458 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.565 0.275 -7.832 1.00 0.00 C ATOM 641 CD1 ILE A 46 -0.812 1.162 -10.648 1.00 0.00 C ATOM 0 H ILE A 46 3.313 -0.875 -9.765 1.00 0.00 H new ATOM 0 HA ILE A 46 2.232 1.157 -11.101 1.00 0.00 H new ATOM 0 HB ILE A 46 0.957 -0.462 -9.738 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.534 1.441 -8.551 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.460 2.480 -9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.681 -0.102 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.374 -0.450 -7.741 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.872 1.219 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.621 1.890 -10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.221 1.215 -11.562 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.230 0.161 -10.544 1.00 0.00 H new ATOM 653 N THR A 47 3.627 2.333 -8.355 1.00 0.00 N ATOM 654 CA THR A 47 4.075 3.550 -7.689 1.00 0.00 C ATOM 655 C THR A 47 5.108 4.289 -8.530 1.00 0.00 C ATOM 656 O THR A 47 4.895 5.435 -8.929 1.00 0.00 O ATOM 657 CB THR A 47 4.680 3.243 -6.306 1.00 0.00 C ATOM 658 OG1 THR A 47 3.686 2.662 -5.454 1.00 0.00 O ATOM 659 CG2 THR A 47 5.230 4.507 -5.663 1.00 0.00 C ATOM 0 H THR A 47 3.936 1.470 -7.908 1.00 0.00 H new ATOM 0 HA THR A 47 3.196 4.182 -7.561 1.00 0.00 H new ATOM 0 HB THR A 47 5.499 2.537 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.666 1.692 -5.589 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.652 4.265 -4.688 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.007 4.931 -6.299 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.426 5.233 -5.541 1.00 0.00 H new ATOM 667 N LEU A 48 6.229 3.628 -8.798 1.00 0.00 N ATOM 668 CA LEU A 48 7.296 4.223 -9.594 1.00 0.00 C ATOM 669 C LEU A 48 6.746 4.817 -10.887 1.00 0.00 C ATOM 670 O LEU A 48 6.870 6.016 -11.132 1.00 0.00 O ATOM 671 CB LEU A 48 8.364 3.176 -9.915 1.00 0.00 C ATOM 672 CG LEU A 48 9.351 3.542 -11.024 1.00 0.00 C ATOM 673 CD1 LEU A 48 10.430 4.472 -10.493 1.00 0.00 C ATOM 674 CD2 LEU A 48 9.973 2.287 -11.620 1.00 0.00 C ATOM 0 H LEU A 48 6.422 2.680 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 48 7.746 5.026 -9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.929 2.972 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.863 2.249 -10.193 1.00 0.00 H new ATOM 0 HG LEU A 48 8.806 4.063 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.123 4.721 -11.296 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.970 5.385 -10.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.972 3.978 -9.687 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.673 2.567 -12.408 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.503 1.739 -10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.189 1.656 -12.038 1.00 0.00 H new ATOM 686 N ASN A 49 6.136 3.969 -11.709 1.00 0.00 N ATOM 687 CA ASN A 49 5.564 4.411 -12.976 1.00 0.00 C ATOM 688 C ASN A 49 4.872 5.761 -12.819 1.00 0.00 C ATOM 689 O ASN A 49 5.051 6.662 -13.639 1.00 0.00 O ATOM 690 CB ASN A 49 4.570 3.373 -13.500 1.00 0.00 C ATOM 691 CG ASN A 49 4.264 3.558 -14.974 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.348 4.293 -15.341 1.00 0.00 O ATOM 693 ND2 ASN A 49 5.031 2.888 -15.825 1.00 0.00 N ATOM 0 H ASN A 49 6.025 2.973 -11.521 1.00 0.00 H new ATOM 0 HA ASN A 49 6.376 4.521 -13.694 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.974 2.373 -13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.644 3.439 -12.928 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.872 2.971 -16.829 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.779 2.290 -15.475 1.00 0.00 H new ATOM 700 N TYR A 50 4.081 5.895 -11.760 1.00 0.00 N ATOM 701 CA TYR A 50 3.360 7.134 -11.496 1.00 0.00 C ATOM 702 C TYR A 50 4.329 8.294 -11.289 1.00 0.00 C ATOM 703 O TYR A 50 4.268 9.301 -11.994 1.00 0.00 O ATOM 704 CB TYR A 50 2.465 6.976 -10.266 1.00 0.00 C ATOM 705 CG TYR A 50 2.010 8.292 -9.675 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.819 8.996 -8.792 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.771 8.830 -9.999 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.407 10.198 -8.249 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.351 10.032 -9.463 1.00 0.00 C ATOM 710 CZ TYR A 50 1.173 10.712 -8.588 1.00 0.00 C ATOM 711 OH TYR A 50 0.758 11.908 -8.050 1.00 0.00 O ATOM 0 H TYR A 50 3.923 5.160 -11.070 1.00 0.00 H new ATOM 0 HA TYR A 50 2.738 7.355 -12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.589 6.387 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.004 6.412 -9.505 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.787 8.597 -8.525 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.125 8.299 -10.682 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.048 10.732 -7.563 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.615 10.437 -9.727 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.133 12.129 -8.392 1.00 0.00 H new ATOM 721 N GLU A 51 5.222 8.144 -10.316 1.00 0.00 N ATOM 722 CA GLU A 51 6.205 9.179 -10.015 1.00 0.00 C ATOM 723 C GLU A 51 6.752 9.799 -11.298 1.00 0.00 C ATOM 724 O GLU A 51 6.822 11.021 -11.429 1.00 0.00 O ATOM 725 CB GLU A 51 7.352 8.599 -9.186 1.00 0.00 C ATOM 726 CG GLU A 51 6.933 8.151 -7.796 1.00 0.00 C ATOM 727 CD GLU A 51 6.818 9.306 -6.821 1.00 0.00 C ATOM 728 OE1 GLU A 51 7.798 10.068 -6.685 1.00 0.00 O ATOM 729 OE2 GLU A 51 5.748 9.448 -6.193 1.00 0.00 O ATOM 0 H GLU A 51 5.285 7.317 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 51 5.708 9.959 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.781 7.750 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.138 9.348 -9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.974 7.636 -7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.658 7.431 -7.417 1.00 0.00 H new ATOM 861 N ASN A 61 -1.526 7.743 -14.288 1.00 0.00 N ATOM 862 CA ASN A 61 -1.778 7.175 -15.607 1.00 0.00 C ATOM 863 C ASN A 61 -1.370 5.706 -15.654 1.00 0.00 C ATOM 864 O ASN A 61 -0.287 5.336 -15.199 1.00 0.00 O ATOM 865 CB ASN A 61 -1.019 7.962 -16.677 1.00 0.00 C ATOM 866 CG ASN A 61 0.428 8.210 -16.295 1.00 0.00 C ATOM 867 OD1 ASN A 61 0.846 9.354 -16.115 1.00 0.00 O ATOM 868 ND2 ASN A 61 1.199 7.136 -16.169 1.00 0.00 N ATOM 0 HA ASN A 61 -2.848 7.242 -15.806 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.055 7.416 -17.620 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.517 8.917 -16.843 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.181 7.240 -15.913 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.809 6.207 -16.328 1.00 0.00 H new ATOM 875 N CYS A 62 -2.244 4.872 -16.207 1.00 0.00 N ATOM 876 CA CYS A 62 -1.976 3.443 -16.315 1.00 0.00 C ATOM 877 C CYS A 62 -1.021 3.154 -17.470 1.00 0.00 C ATOM 878 O CYS A 62 -1.242 3.566 -18.609 1.00 0.00 O ATOM 879 CB CYS A 62 -3.282 2.671 -16.513 1.00 0.00 C ATOM 880 SG CYS A 62 -3.096 0.861 -16.426 1.00 0.00 S ATOM 0 H CYS A 62 -3.145 5.162 -16.588 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.506 3.116 -15.388 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.998 2.989 -15.755 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.705 2.936 -17.482 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.433 0.544 -15.354 1.00 0.00 H new ATOM 885 N PRO A 63 0.066 2.428 -17.171 1.00 0.00 N ATOM 886 CA PRO A 63 1.076 2.067 -18.170 1.00 0.00 C ATOM 887 C PRO A 63 0.554 1.050 -19.180 1.00 0.00 C ATOM 888 O PRO A 63 1.310 0.533 -20.003 1.00 0.00 O ATOM 889 CB PRO A 63 2.203 1.458 -17.332 1.00 0.00 C ATOM 890 CG PRO A 63 1.531 0.956 -16.101 1.00 0.00 C ATOM 891 CD PRO A 63 0.394 1.904 -15.834 1.00 0.00 C ATOM 0 HA PRO A 63 1.386 2.926 -18.765 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.703 0.651 -17.867 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.964 2.201 -17.093 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.166 -0.061 -16.243 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.224 0.931 -15.260 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.457 1.394 -15.382 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.687 2.701 -15.151 1.00 0.00 H new ATOM 899 N VAL A 64 -0.743 0.767 -19.112 1.00 0.00 N ATOM 900 CA VAL A 64 -1.366 -0.187 -20.021 1.00 0.00 C ATOM 901 C VAL A 64 -2.454 0.479 -20.856 1.00 0.00 C ATOM 902 O VAL A 64 -2.416 0.448 -22.086 1.00 0.00 O ATOM 903 CB VAL A 64 -1.977 -1.376 -19.256 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.680 -2.324 -20.215 1.00 0.00 C ATOM 905 CG2 VAL A 64 -0.903 -2.105 -18.462 1.00 0.00 C ATOM 0 H VAL A 64 -1.383 1.185 -18.436 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.580 -0.555 -20.680 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.718 -0.993 -18.555 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.105 -3.158 -19.656 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.477 -1.791 -20.734 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.963 -2.703 -20.943 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.351 -2.942 -17.927 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.137 -2.477 -19.142 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.450 -1.418 -17.747 1.00 0.00 H new ATOM 915 N CYS A 65 -3.425 1.083 -20.178 1.00 0.00 N ATOM 916 CA CYS A 65 -4.526 1.758 -20.855 1.00 0.00 C ATOM 917 C CYS A 65 -4.391 3.273 -20.735 1.00 0.00 C ATOM 918 O CYS A 65 -5.039 4.024 -21.465 1.00 0.00 O ATOM 919 CB CYS A 65 -5.866 1.306 -20.271 1.00 0.00 C ATOM 920 SG CYS A 65 -6.011 1.547 -18.472 1.00 0.00 S ATOM 0 H CYS A 65 -3.471 1.119 -19.160 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.489 1.490 -21.911 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.669 1.852 -20.766 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.012 0.250 -20.498 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.924 1.135 -17.890 1.00 0.00 H new ATOM 925 N ARG A 66 -3.545 3.715 -19.810 1.00 0.00 N ATOM 926 CA ARG A 66 -3.326 5.140 -19.594 1.00 0.00 C ATOM 927 C ARG A 66 -4.603 5.818 -19.104 1.00 0.00 C ATOM 928 O ARG A 66 -4.996 6.867 -19.614 1.00 0.00 O ATOM 929 CB ARG A 66 -2.845 5.805 -20.884 1.00 0.00 C ATOM 930 CG ARG A 66 -1.520 5.261 -21.393 1.00 0.00 C ATOM 931 CD ARG A 66 -0.346 5.846 -20.625 1.00 0.00 C ATOM 932 NE ARG A 66 0.866 5.903 -21.438 1.00 0.00 N ATOM 933 CZ ARG A 66 1.141 6.894 -22.279 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.294 7.905 -22.416 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.264 6.875 -22.984 1.00 0.00 N ATOM 0 H ARG A 66 -3.000 3.107 -19.198 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.559 5.252 -18.828 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.603 5.672 -21.656 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.747 6.877 -20.715 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.512 4.175 -21.301 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.414 5.492 -22.453 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.600 6.849 -20.283 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.158 5.244 -19.736 1.00 0.00 H new ATOM 0 HE ARG A 66 1.538 5.140 -21.356 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.571 7.923 -21.875 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.507 8.665 -23.062 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.918 6.099 -22.881 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.474 7.636 -23.629 1.00 0.00 H new ATOM 949 N VAL A 67 -5.246 5.211 -18.111 1.00 0.00 N ATOM 950 CA VAL A 67 -6.477 5.756 -17.552 1.00 0.00 C ATOM 951 C VAL A 67 -6.218 6.439 -16.214 1.00 0.00 C ATOM 952 O VAL A 67 -5.493 5.930 -15.360 1.00 0.00 O ATOM 953 CB VAL A 67 -7.540 4.658 -17.358 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.195 3.787 -16.159 1.00 0.00 C ATOM 955 CG2 VAL A 67 -8.921 5.275 -17.200 1.00 0.00 C ATOM 0 H VAL A 67 -4.935 4.342 -17.678 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.850 6.491 -18.265 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.550 4.025 -18.246 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.957 3.017 -16.037 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.225 3.316 -16.319 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.156 4.403 -15.261 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.659 4.485 -17.064 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.929 5.932 -16.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.166 5.851 -18.092 1.00 0.00 H new ATOM 965 N PRO A 68 -6.825 7.620 -16.026 1.00 0.00 N ATOM 966 CA PRO A 68 -6.676 8.399 -14.793 1.00 0.00 C ATOM 967 C PRO A 68 -7.370 7.742 -13.605 1.00 0.00 C ATOM 968 O PRO A 68 -8.597 7.754 -13.507 1.00 0.00 O ATOM 969 CB PRO A 68 -7.345 9.733 -15.133 1.00 0.00 C ATOM 970 CG PRO A 68 -8.322 9.404 -16.208 1.00 0.00 C ATOM 971 CD PRO A 68 -7.703 8.287 -17.002 1.00 0.00 C ATOM 0 HA PRO A 68 -5.632 8.494 -14.495 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.843 10.159 -14.262 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.614 10.467 -15.473 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.279 9.099 -15.785 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.515 10.271 -16.839 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.459 7.606 -17.394 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.141 8.665 -17.856 1.00 0.00 H new ATOM 979 N TYR A 69 -6.578 7.170 -12.705 1.00 0.00 N ATOM 980 CA TYR A 69 -7.117 6.507 -11.524 1.00 0.00 C ATOM 981 C TYR A 69 -6.653 7.203 -10.248 1.00 0.00 C ATOM 982 O TYR A 69 -5.524 7.682 -10.147 1.00 0.00 O ATOM 983 CB TYR A 69 -6.692 5.037 -11.500 1.00 0.00 C ATOM 984 CG TYR A 69 -5.195 4.839 -11.573 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.403 4.951 -10.437 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.571 4.541 -12.778 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.035 4.772 -10.498 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.204 4.359 -12.850 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.440 4.475 -11.707 1.00 0.00 C ATOM 990 OH TYR A 69 -1.077 4.295 -11.774 1.00 0.00 O ATOM 0 H TYR A 69 -5.560 7.152 -12.771 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.204 6.564 -11.572 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.067 4.574 -10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.160 4.518 -12.337 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.866 5.182 -9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.166 4.450 -13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.435 4.864 -9.605 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.736 4.127 -13.795 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.819 4.091 -12.697 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.546 7.260 -9.249 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.252 7.894 -7.960 1.00 0.00 C ATOM 1002 C PRO A 70 -6.239 7.100 -7.141 1.00 0.00 C ATOM 1003 O PRO A 70 -6.546 6.022 -6.632 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.611 7.913 -7.256 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.372 6.790 -7.870 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.911 6.710 -9.299 1.00 0.00 C ATOM 0 HA PRO A 70 -6.807 8.881 -8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.501 7.775 -6.180 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.121 8.865 -7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.179 5.855 -7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.446 6.970 -7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.917 5.684 -9.666 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.554 7.290 -9.962 1.00 0.00 H new ATOM 1014 N PHE A 71 -5.032 7.641 -7.018 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.973 6.983 -6.261 1.00 0.00 C ATOM 1016 C PHE A 71 -4.424 6.697 -4.831 1.00 0.00 C ATOM 1017 O PHE A 71 -4.891 7.591 -4.126 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.713 7.849 -6.246 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.477 7.103 -5.832 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.825 6.267 -6.724 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -0.967 7.237 -4.551 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.313 5.579 -6.347 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.170 6.552 -4.168 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.811 5.721 -5.066 1.00 0.00 C ATOM 0 H PHE A 71 -4.762 8.533 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.748 6.035 -6.749 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.558 8.269 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.866 8.687 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.211 6.152 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.464 7.884 -3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.812 4.931 -7.053 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.558 6.666 -3.166 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.699 5.184 -4.768 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.281 5.444 -4.410 1.00 0.00 N ATOM 1035 CA GLY A 72 -4.678 5.062 -3.068 1.00 0.00 C ATOM 1036 C GLY A 72 -5.792 4.034 -3.063 1.00 0.00 C ATOM 1037 O GLY A 72 -5.653 2.962 -2.477 1.00 0.00 O ATOM 0 H GLY A 72 -3.897 4.687 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.815 4.660 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.003 5.948 -2.523 1.00 0.00 H new ATOM 1041 N ASN A 73 -6.901 4.363 -3.718 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.045 3.460 -3.784 1.00 0.00 C ATOM 1043 C ASN A 73 -7.598 2.040 -4.118 1.00 0.00 C ATOM 1044 O ASN A 73 -8.176 1.066 -3.634 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.047 3.951 -4.831 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.098 4.870 -4.239 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.290 4.910 -3.024 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -10.785 5.613 -5.098 1.00 0.00 N ATOM 0 H ASN A 73 -7.032 5.247 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.526 3.450 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.513 4.477 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.536 3.093 -5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -11.506 6.250 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.592 5.547 -6.097 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.566 1.930 -4.947 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.040 0.629 -5.346 1.00 0.00 C ATOM 1057 C LEU A 74 -6.092 -0.359 -4.184 1.00 0.00 C ATOM 1058 O LEU A 74 -5.514 -0.118 -3.124 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.602 0.769 -5.846 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.377 1.786 -6.966 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.924 2.234 -6.997 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.786 1.200 -8.309 1.00 0.00 C ATOM 0 H LEU A 74 -6.077 2.726 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.663 0.246 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.970 1.043 -5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.263 -0.207 -6.195 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.000 2.658 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.783 2.957 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.665 2.695 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.281 1.371 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.619 1.938 -9.094 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.190 0.310 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.842 0.931 -8.282 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.787 -1.472 -4.391 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.912 -2.499 -3.364 1.00 0.00 C ATOM 1076 C LYS A 75 -5.695 -3.417 -3.361 1.00 0.00 C ATOM 1077 O LYS A 75 -5.154 -3.774 -4.408 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.184 -3.320 -3.587 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.459 -2.499 -3.516 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.831 -1.927 -4.873 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.286 -1.486 -4.913 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.219 -2.639 -4.779 1.00 0.00 N ATOM 0 H LYS A 75 -7.273 -1.686 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.972 -2.003 -2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.128 -3.804 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.230 -4.112 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.274 -3.122 -3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.330 -1.687 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.186 -1.078 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.656 -2.676 -5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.472 -0.773 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.482 -0.967 -5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.142 -2.388 -5.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.830 -3.461 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.337 -2.875 -3.773 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.252 -3.812 -2.158 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.095 -4.696 -1.991 1.00 0.00 C ATOM 1098 C PRO A 76 -4.379 -6.118 -2.461 1.00 0.00 C ATOM 1099 O PRO A 76 -5.250 -6.799 -1.921 1.00 0.00 O ATOM 1100 CB PRO A 76 -3.846 -4.672 -0.481 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.169 -4.337 0.117 1.00 0.00 C ATOM 1102 CD PRO A 76 -5.848 -3.426 -0.868 1.00 0.00 C ATOM 0 HA PRO A 76 -3.241 -4.366 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.483 -5.636 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.093 -3.930 -0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.760 -5.237 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.048 -3.847 1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.929 -3.567 -0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.663 -2.377 -0.638 1.00 0.00 H new