USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 44 HIS : no HE2:sc= -0.868 K(o=-0.71,f=-5.9!) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 163:sc= 0.155 (180deg=0) USER MOD Set 2.1: A 48 MET CE :methyl 175:sc= -1.72 (180deg=-1.74) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.626 K(o=-1.1,f=-8.8!) USER MOD Set 3.1: A 10 LYS NZ :NH3+ -146:sc= 0.645 (180deg=0) USER MOD Set 3.2: A 12 GLN : amide:sc= -1.7 K(o=-1.1,f=-8.9!) USER MOD Set 4.1: A 5 ASN : amide:sc= -1.45! C(o=-0.56!,f=-6.3!) USER MOD Set 4.2: A 46 LYS NZ :NH3+ 153:sc= 0.881 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc=-0.00703 (180deg=-0.0854) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.999 K(o=1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 145:sc= 1.19 (180deg=0.39) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.029) USER MOD Single : A 50 MET CE :methyl -141:sc= -0.613 (180deg=-3.29!) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= 0.716 (180deg=0.252) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.34) USER MOD Single : A 78 GLN : amide:sc= 0.7 K(o=0.7,f=-0.76) USER MOD Single : A 80 HIS : no HE2:sc= -0.795 K(o=-0.79,f=-2.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 88 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -30.192 21.144 12.873 1.00 0.00 N ATOM 21 CA PHE A 2 -30.370 19.764 12.409 1.00 0.00 C ATOM 22 C PHE A 2 -30.051 18.695 13.463 1.00 0.00 C ATOM 23 O PHE A 2 -30.705 17.655 13.469 1.00 0.00 O ATOM 24 CB PHE A 2 -29.576 19.535 11.114 1.00 0.00 C ATOM 25 CG PHE A 2 -29.631 20.696 10.132 1.00 0.00 C ATOM 26 CD1 PHE A 2 -30.863 21.272 9.759 1.00 0.00 C ATOM 27 CD2 PHE A 2 -28.432 21.293 9.707 1.00 0.00 C ATOM 28 CE1 PHE A 2 -30.889 22.474 9.027 1.00 0.00 C ATOM 29 CE2 PHE A 2 -28.462 22.496 8.989 1.00 0.00 C ATOM 30 CZ PHE A 2 -29.683 23.100 8.668 1.00 0.00 C ATOM 0 HA PHE A 2 -31.434 19.644 12.208 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -28.535 19.340 11.370 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -29.956 18.640 10.622 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -31.789 20.790 10.036 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -27.486 20.824 9.934 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -31.833 22.914 8.742 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -27.537 22.960 8.681 1.00 0.00 H new ATOM 0 HZ PHE A 2 -29.698 24.045 8.146 1.00 0.00 H new ATOM 40 N THR A 3 -29.102 18.985 14.364 1.00 0.00 N ATOM 41 CA THR A 3 -28.686 18.213 15.531 1.00 0.00 C ATOM 42 C THR A 3 -28.056 16.857 15.163 1.00 0.00 C ATOM 43 O THR A 3 -28.737 15.937 14.710 1.00 0.00 O ATOM 44 CB THR A 3 -29.852 18.041 16.506 1.00 0.00 C ATOM 45 OG1 THR A 3 -30.533 19.264 16.727 1.00 0.00 O ATOM 46 CG2 THR A 3 -29.377 17.505 17.862 1.00 0.00 C ATOM 0 H THR A 3 -28.560 19.845 14.282 1.00 0.00 H new ATOM 0 HA THR A 3 -27.900 18.785 16.025 1.00 0.00 H new ATOM 0 HB THR A 3 -30.530 17.323 16.044 1.00 0.00 H new ATOM 0 HG1 THR A 3 -31.273 19.118 17.353 1.00 0.00 H new ATOM 0 HG21 THR A 3 -30.232 17.395 18.529 1.00 0.00 H new ATOM 0 HG22 THR A 3 -28.899 16.536 17.723 1.00 0.00 H new ATOM 0 HG23 THR A 3 -28.663 18.203 18.299 1.00 0.00 H new ATOM 54 N ILE A 4 -26.740 16.727 15.369 1.00 0.00 N ATOM 55 CA ILE A 4 -25.941 15.618 14.870 1.00 0.00 C ATOM 56 C ILE A 4 -25.583 14.712 16.044 1.00 0.00 C ATOM 57 O ILE A 4 -24.513 14.808 16.640 1.00 0.00 O ATOM 58 CB ILE A 4 -24.709 16.080 14.059 1.00 0.00 C ATOM 59 CG1 ILE A 4 -24.712 17.530 13.563 1.00 0.00 C ATOM 60 CG2 ILE A 4 -24.488 15.110 12.897 1.00 0.00 C ATOM 61 CD1 ILE A 4 -25.891 17.989 12.704 1.00 0.00 C ATOM 0 H ILE A 4 -26.196 17.408 15.899 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.530 15.047 14.152 1.00 0.00 H new ATOM 0 HB ILE A 4 -23.880 16.063 14.766 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -24.659 18.182 14.435 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -23.799 17.690 12.990 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -23.621 15.427 12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.316 14.107 13.288 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -25.369 15.104 12.256 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -25.755 19.035 12.429 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.943 17.380 11.802 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.817 17.880 13.269 1.00 0.00 H new ATOM 73 N ASN A 5 -26.528 13.850 16.407 1.00 0.00 N ATOM 74 CA ASN A 5 -26.427 12.983 17.569 1.00 0.00 C ATOM 75 C ASN A 5 -25.206 12.073 17.407 1.00 0.00 C ATOM 76 O ASN A 5 -25.144 11.305 16.443 1.00 0.00 O ATOM 77 CB ASN A 5 -27.734 12.198 17.761 1.00 0.00 C ATOM 78 CG ASN A 5 -28.962 13.036 17.405 1.00 0.00 C ATOM 79 OD1 ASN A 5 -29.578 12.817 16.365 1.00 0.00 O ATOM 80 ND2 ASN A 5 -29.250 14.063 18.200 1.00 0.00 N ATOM 0 H ASN A 5 -27.400 13.735 15.890 1.00 0.00 H new ATOM 0 HA ASN A 5 -26.285 13.573 18.474 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -27.714 11.302 17.140 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.809 11.866 18.797 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -30.006 14.702 17.954 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -28.715 14.211 19.056 1.00 0.00 H new ATOM 87 N ALA A 6 -24.233 12.206 18.318 1.00 0.00 N ATOM 88 CA ALA A 6 -22.993 11.445 18.324 1.00 0.00 C ATOM 89 C ALA A 6 -22.855 10.780 19.700 1.00 0.00 C ATOM 90 O ALA A 6 -23.827 10.633 20.442 1.00 0.00 O ATOM 91 CB ALA A 6 -21.799 12.355 17.942 1.00 0.00 C ATOM 0 H ALA A 6 -24.296 12.868 19.091 1.00 0.00 H new ATOM 0 HA ALA A 6 -23.003 10.656 17.572 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -20.879 11.771 17.951 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -21.959 12.765 16.945 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -21.718 13.170 18.661 1.00 0.00 H new ATOM 97 N GLU A 7 -21.638 10.367 20.036 1.00 0.00 N ATOM 98 CA GLU A 7 -21.209 9.911 21.346 1.00 0.00 C ATOM 99 C GLU A 7 -19.696 10.110 21.371 1.00 0.00 C ATOM 100 O GLU A 7 -19.028 9.898 20.362 1.00 0.00 O ATOM 101 CB GLU A 7 -21.627 8.449 21.583 1.00 0.00 C ATOM 102 CG GLU A 7 -21.039 7.464 20.562 1.00 0.00 C ATOM 103 CD GLU A 7 -21.853 6.171 20.485 1.00 0.00 C ATOM 104 OE1 GLU A 7 -21.668 5.323 21.385 1.00 0.00 O ATOM 105 OE2 GLU A 7 -22.657 6.053 19.532 1.00 0.00 O ATOM 0 H GLU A 7 -20.879 10.342 19.355 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.678 10.470 22.155 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.316 8.149 22.584 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.715 8.382 21.554 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.010 7.934 19.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.010 7.230 20.834 1.00 0.00 H new ATOM 112 N VAL A 8 -19.149 10.563 22.498 1.00 0.00 N ATOM 113 CA VAL A 8 -17.718 10.822 22.620 1.00 0.00 C ATOM 114 C VAL A 8 -16.917 9.542 22.433 1.00 0.00 C ATOM 115 O VAL A 8 -17.300 8.472 22.910 1.00 0.00 O ATOM 116 CB VAL A 8 -17.390 11.475 23.970 1.00 0.00 C ATOM 117 CG1 VAL A 8 -17.800 12.944 23.935 1.00 0.00 C ATOM 118 CG2 VAL A 8 -18.068 10.783 25.156 1.00 0.00 C ATOM 0 H VAL A 8 -19.682 10.759 23.345 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.436 11.518 21.830 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.315 11.375 24.119 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -17.568 13.409 24.893 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.255 13.455 23.142 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -18.871 13.018 23.745 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -17.795 11.293 26.080 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.150 10.818 25.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.742 9.744 25.206 1.00 0.00 H new ATOM 128 N ARG A 9 -15.774 9.690 21.762 1.00 0.00 N ATOM 129 CA ARG A 9 -14.813 8.602 21.605 1.00 0.00 C ATOM 130 C ARG A 9 -13.387 9.078 21.831 1.00 0.00 C ATOM 131 O ARG A 9 -13.092 10.255 21.641 1.00 0.00 O ATOM 132 CB ARG A 9 -14.987 7.920 20.250 1.00 0.00 C ATOM 133 CG ARG A 9 -14.823 8.904 19.100 1.00 0.00 C ATOM 134 CD ARG A 9 -14.411 8.259 17.784 1.00 0.00 C ATOM 135 NE ARG A 9 -13.893 9.352 16.969 1.00 0.00 N ATOM 136 CZ ARG A 9 -12.777 9.376 16.225 1.00 0.00 C ATOM 137 NH1 ARG A 9 -12.099 8.254 15.973 1.00 0.00 N ATOM 138 NH2 ARG A 9 -12.336 10.543 15.742 1.00 0.00 N ATOM 0 H ARG A 9 -15.491 10.562 21.315 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.015 7.857 22.374 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.256 7.118 20.150 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.974 7.460 20.198 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.764 9.435 18.953 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.077 9.649 19.377 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.653 7.492 17.942 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.259 7.775 17.300 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.450 10.207 16.964 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.428 7.364 16.348 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.252 8.286 15.406 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.847 11.403 15.941 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.489 10.573 15.175 1.00 0.00 H new ATOM 152 N LYS A 10 -12.498 8.139 22.168 1.00 0.00 N ATOM 153 CA LYS A 10 -11.053 8.343 22.224 1.00 0.00 C ATOM 154 C LYS A 10 -10.263 7.198 21.569 1.00 0.00 C ATOM 155 O LYS A 10 -9.039 7.265 21.494 1.00 0.00 O ATOM 156 CB LYS A 10 -10.610 8.593 23.669 1.00 0.00 C ATOM 157 CG LYS A 10 -10.986 9.984 24.209 1.00 0.00 C ATOM 158 CD LYS A 10 -10.146 11.147 23.636 1.00 0.00 C ATOM 159 CE LYS A 10 -10.737 11.848 22.398 1.00 0.00 C ATOM 160 NZ LYS A 10 -9.752 12.772 21.797 1.00 0.00 N ATOM 0 H LYS A 10 -12.775 7.189 22.416 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.823 9.231 21.635 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.056 7.833 24.311 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.529 8.470 23.733 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.037 10.171 23.991 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.881 9.978 25.294 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.006 11.891 24.420 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.158 10.765 23.378 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.039 11.103 21.662 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.634 12.399 22.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.246 13.597 21.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.082 13.087 22.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.234 12.283 21.039 1.00 0.00 H new ATOM 174 N GLU A 11 -10.956 6.178 21.047 1.00 0.00 N ATOM 175 CA GLU A 11 -10.388 4.958 20.458 1.00 0.00 C ATOM 176 C GLU A 11 -9.782 5.176 19.050 1.00 0.00 C ATOM 177 O GLU A 11 -9.535 4.206 18.332 1.00 0.00 O ATOM 178 CB GLU A 11 -11.400 3.775 20.461 1.00 0.00 C ATOM 179 CG GLU A 11 -12.743 3.910 21.210 1.00 0.00 C ATOM 180 CD GLU A 11 -12.636 4.395 22.658 1.00 0.00 C ATOM 181 OE1 GLU A 11 -11.971 3.707 23.461 1.00 0.00 O ATOM 182 OE2 GLU A 11 -13.212 5.475 22.925 1.00 0.00 O ATOM 0 H GLU A 11 -11.976 6.181 21.023 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.558 4.686 21.110 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.631 3.543 19.421 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.884 2.908 20.874 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.380 4.601 20.658 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.243 2.941 21.204 1.00 0.00 H new ATOM 189 N GLN A 12 -9.569 6.436 18.640 1.00 0.00 N ATOM 190 CA GLN A 12 -9.158 6.866 17.299 1.00 0.00 C ATOM 191 C GLN A 12 -7.976 6.103 16.707 1.00 0.00 C ATOM 192 O GLN A 12 -7.973 5.902 15.497 1.00 0.00 O ATOM 193 CB GLN A 12 -8.834 8.368 17.250 1.00 0.00 C ATOM 194 CG GLN A 12 -8.334 9.045 18.522 1.00 0.00 C ATOM 195 CD GLN A 12 -9.447 9.679 19.370 1.00 0.00 C ATOM 196 OE1 GLN A 12 -9.164 10.500 20.233 1.00 0.00 O ATOM 197 NE2 GLN A 12 -10.727 9.335 19.175 1.00 0.00 N ATOM 0 H GLN A 12 -9.686 7.226 19.274 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.031 6.638 16.687 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.082 8.520 16.476 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.734 8.891 16.927 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.803 8.311 19.128 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.613 9.816 18.252 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.968 8.651 18.457 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.461 9.757 19.744 1.00 0.00 H new ATOM 206 N GLY A 13 -7.027 5.685 17.554 1.00 0.00 N ATOM 207 CA GLY A 13 -5.759 5.029 17.220 1.00 0.00 C ATOM 208 C GLY A 13 -5.821 3.946 16.134 1.00 0.00 C ATOM 209 O GLY A 13 -4.817 3.721 15.470 1.00 0.00 O ATOM 0 H GLY A 13 -7.134 5.805 18.561 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.051 5.794 16.901 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.356 4.581 18.128 1.00 0.00 H new ATOM 213 N LYS A 14 -6.992 3.320 15.946 1.00 0.00 N ATOM 214 CA LYS A 14 -7.505 2.577 14.787 1.00 0.00 C ATOM 215 C LYS A 14 -8.756 1.801 15.200 1.00 0.00 C ATOM 216 O LYS A 14 -9.620 1.563 14.357 1.00 0.00 O ATOM 217 CB LYS A 14 -6.483 1.632 14.110 1.00 0.00 C ATOM 218 CG LYS A 14 -6.083 2.032 12.687 1.00 0.00 C ATOM 219 CD LYS A 14 -7.185 1.864 11.633 1.00 0.00 C ATOM 220 CE LYS A 14 -6.740 2.291 10.222 1.00 0.00 C ATOM 221 NZ LYS A 14 -5.439 1.725 9.799 1.00 0.00 N ATOM 0 H LYS A 14 -7.685 3.324 16.694 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.738 3.324 14.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.585 1.589 14.726 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.901 0.626 14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.764 3.074 12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.220 1.437 12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.500 0.821 11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.054 2.452 11.927 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.505 1.990 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.679 3.379 10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.250 1.989 8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.683 2.099 10.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.468 0.689 9.881 1.00 0.00 H new ATOM 235 N GLY A 15 -8.868 1.445 16.491 1.00 0.00 N ATOM 236 CA GLY A 15 -9.971 0.684 17.059 1.00 0.00 C ATOM 237 C GLY A 15 -11.338 1.314 16.777 1.00 0.00 C ATOM 238 O GLY A 15 -12.282 0.583 16.478 1.00 0.00 O ATOM 0 H GLY A 15 -8.162 1.693 17.185 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.953 -0.328 16.655 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.831 0.600 18.137 1.00 0.00 H new ATOM 242 N ALA A 16 -11.443 2.650 16.838 1.00 0.00 N ATOM 243 CA ALA A 16 -12.654 3.378 16.485 1.00 0.00 C ATOM 244 C ALA A 16 -12.934 3.272 14.985 1.00 0.00 C ATOM 245 O ALA A 16 -14.031 2.888 14.597 1.00 0.00 O ATOM 246 CB ALA A 16 -12.583 4.841 16.917 1.00 0.00 C ATOM 0 H ALA A 16 -10.678 3.254 17.138 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.480 2.916 17.026 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.505 5.349 16.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.454 4.895 17.998 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.738 5.325 16.426 1.00 0.00 H new ATOM 252 N SER A 17 -11.963 3.588 14.124 1.00 0.00 N ATOM 253 CA SER A 17 -12.214 3.659 12.682 1.00 0.00 C ATOM 254 C SER A 17 -12.741 2.318 12.130 1.00 0.00 C ATOM 255 O SER A 17 -13.544 2.322 11.197 1.00 0.00 O ATOM 256 CB SER A 17 -10.958 4.156 11.948 1.00 0.00 C ATOM 257 OG SER A 17 -11.220 4.335 10.569 1.00 0.00 O ATOM 0 H SER A 17 -11.003 3.797 14.397 1.00 0.00 H new ATOM 0 HA SER A 17 -13.005 4.386 12.500 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.625 5.097 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.147 3.439 12.079 1.00 0.00 H new ATOM 0 HG SER A 17 -10.409 4.653 10.120 1.00 0.00 H new ATOM 263 N ARG A 18 -12.389 1.185 12.761 1.00 0.00 N ATOM 264 CA ARG A 18 -12.813 -0.146 12.353 1.00 0.00 C ATOM 265 C ARG A 18 -14.156 -0.567 12.951 1.00 0.00 C ATOM 266 O ARG A 18 -14.825 -1.356 12.300 1.00 0.00 O ATOM 267 CB ARG A 18 -11.702 -1.199 12.539 1.00 0.00 C ATOM 268 CG ARG A 18 -11.205 -1.496 13.966 1.00 0.00 C ATOM 269 CD ARG A 18 -12.133 -2.309 14.879 1.00 0.00 C ATOM 270 NE ARG A 18 -12.498 -3.615 14.304 1.00 0.00 N ATOM 271 CZ ARG A 18 -12.532 -4.787 14.960 1.00 0.00 C ATOM 272 NH1 ARG A 18 -12.288 -4.860 16.275 1.00 0.00 N ATOM 273 NH2 ARG A 18 -12.809 -5.902 14.283 1.00 0.00 N ATOM 0 H ARG A 18 -11.789 1.179 13.586 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.994 -0.087 11.280 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.057 -2.136 12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.843 -0.883 11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.257 -2.028 13.889 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.998 -0.545 14.456 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.644 -2.464 15.841 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.040 -1.736 15.071 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.748 -3.631 13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.070 -4.014 16.801 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.320 -5.762 16.750 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.992 -5.858 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.838 -6.799 14.768 1.00 0.00 H new ATOM 287 N ARG A 19 -14.597 -0.055 14.115 1.00 0.00 N ATOM 288 CA ARG A 19 -15.949 -0.328 14.646 1.00 0.00 C ATOM 289 C ARG A 19 -16.983 0.567 13.947 1.00 0.00 C ATOM 290 O ARG A 19 -18.085 0.127 13.609 1.00 0.00 O ATOM 291 CB ARG A 19 -16.019 -0.180 16.186 1.00 0.00 C ATOM 292 CG ARG A 19 -15.621 1.223 16.659 1.00 0.00 C ATOM 293 CD ARG A 19 -15.682 1.552 18.145 1.00 0.00 C ATOM 294 NE ARG A 19 -14.938 0.589 18.970 1.00 0.00 N ATOM 295 CZ ARG A 19 -14.989 0.507 20.310 1.00 0.00 C ATOM 296 NH1 ARG A 19 -15.780 1.321 21.019 1.00 0.00 N ATOM 297 NH2 ARG A 19 -14.238 -0.401 20.942 1.00 0.00 N ATOM 0 H ARG A 19 -14.034 0.553 14.710 1.00 0.00 H new ATOM 0 HA ARG A 19 -16.186 -1.370 14.429 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -17.032 -0.400 16.523 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.362 -0.916 16.649 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.600 1.404 16.325 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.258 1.938 16.138 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -15.279 2.552 18.308 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -16.723 1.571 18.466 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.332 -0.072 18.484 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -16.355 2.016 20.542 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -15.808 1.247 22.036 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.633 -1.024 20.407 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.270 -0.471 21.959 1.00 0.00 H new ATOM 311 N LEU A 20 -16.603 1.824 13.690 1.00 0.00 N ATOM 312 CA LEU A 20 -17.424 2.792 13.003 1.00 0.00 C ATOM 313 C LEU A 20 -17.696 2.284 11.588 1.00 0.00 C ATOM 314 O LEU A 20 -18.866 2.110 11.236 1.00 0.00 O ATOM 315 CB LEU A 20 -16.771 4.187 13.070 1.00 0.00 C ATOM 316 CG LEU A 20 -17.058 4.900 14.418 1.00 0.00 C ATOM 317 CD1 LEU A 20 -15.918 4.979 15.426 1.00 0.00 C ATOM 318 CD2 LEU A 20 -17.365 6.374 14.205 1.00 0.00 C ATOM 0 H LEU A 20 -15.692 2.192 13.966 1.00 0.00 H new ATOM 0 HA LEU A 20 -18.394 2.909 13.487 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -15.694 4.090 12.934 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -17.142 4.801 12.249 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.867 4.279 14.802 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -16.258 5.502 16.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.599 3.972 15.694 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -15.080 5.520 14.986 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.562 6.847 15.167 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.512 6.858 13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -18.242 6.474 13.565 1.00 0.00 H new ATOM 330 N ARG A 21 -16.642 1.952 10.820 1.00 0.00 N ATOM 331 CA ARG A 21 -16.822 1.333 9.509 1.00 0.00 C ATOM 332 C ARG A 21 -17.384 -0.087 9.580 1.00 0.00 C ATOM 333 O ARG A 21 -17.899 -0.559 8.566 1.00 0.00 O ATOM 334 CB ARG A 21 -15.530 1.419 8.665 1.00 0.00 C ATOM 335 CG ARG A 21 -14.484 0.312 8.914 1.00 0.00 C ATOM 336 CD ARG A 21 -14.566 -0.855 7.916 1.00 0.00 C ATOM 337 NE ARG A 21 -13.434 -1.792 8.070 1.00 0.00 N ATOM 338 CZ ARG A 21 -12.868 -2.534 7.100 1.00 0.00 C ATOM 339 NH1 ARG A 21 -13.336 -2.504 5.845 1.00 0.00 N ATOM 340 NH2 ARG A 21 -11.824 -3.318 7.388 1.00 0.00 N ATOM 0 H ARG A 21 -15.669 2.103 11.087 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.587 1.914 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.806 1.400 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.060 2.384 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.487 0.750 8.866 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.613 -0.076 9.924 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.504 -1.391 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.577 -0.463 6.899 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.041 -1.886 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.133 -1.912 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.895 -3.073 5.122 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.459 -3.352 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.392 -3.882 6.656 1.00 0.00 H new ATOM 354 N ALA A 22 -17.324 -0.756 10.744 1.00 0.00 N ATOM 355 CA ALA A 22 -17.941 -2.079 10.867 1.00 0.00 C ATOM 356 C ALA A 22 -19.473 -2.039 10.867 1.00 0.00 C ATOM 357 O ALA A 22 -20.074 -3.052 10.508 1.00 0.00 O ATOM 358 CB ALA A 22 -17.463 -2.812 12.116 1.00 0.00 C ATOM 0 H ALA A 22 -16.867 -0.412 11.589 1.00 0.00 H new ATOM 0 HA ALA A 22 -17.620 -2.622 9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -17.944 -3.789 12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -16.382 -2.942 12.070 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -17.722 -2.230 13.001 1.00 0.00 H new ATOM 364 N ALA A 23 -20.110 -0.914 11.237 1.00 0.00 N ATOM 365 CA ALA A 23 -21.557 -0.797 11.207 1.00 0.00 C ATOM 366 C ALA A 23 -21.940 0.102 10.046 1.00 0.00 C ATOM 367 O ALA A 23 -22.249 -0.404 8.968 1.00 0.00 O ATOM 368 CB ALA A 23 -22.069 -0.323 12.576 1.00 0.00 C ATOM 0 H ALA A 23 -19.631 -0.074 11.561 1.00 0.00 H new ATOM 0 HA ALA A 23 -22.039 -1.759 11.035 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -23.155 -0.237 12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -21.782 -1.044 13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -21.634 0.648 12.811 1.00 0.00 H new ATOM 374 N ASN A 24 -21.947 1.417 10.273 1.00 0.00 N ATOM 375 CA ASN A 24 -22.467 2.427 9.379 1.00 0.00 C ATOM 376 C ASN A 24 -22.059 3.847 9.803 1.00 0.00 C ATOM 377 O ASN A 24 -22.563 4.836 9.266 1.00 0.00 O ATOM 378 CB ASN A 24 -23.999 2.296 9.335 1.00 0.00 C ATOM 379 CG ASN A 24 -24.514 2.024 7.926 1.00 0.00 C ATOM 380 OD1 ASN A 24 -25.150 2.864 7.299 1.00 0.00 O ATOM 381 ND2 ASN A 24 -24.237 0.821 7.427 1.00 0.00 N ATOM 0 H ASN A 24 -21.568 1.816 11.132 1.00 0.00 H new ATOM 0 HA ASN A 24 -22.042 2.267 8.388 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -24.312 1.488 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.451 3.212 9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -24.557 0.571 6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -23.705 0.149 7.980 1.00 0.00 H new ATOM 388 N LYS A 25 -21.171 3.952 10.795 1.00 0.00 N ATOM 389 CA LYS A 25 -20.745 5.199 11.392 1.00 0.00 C ATOM 390 C LYS A 25 -19.393 5.583 10.792 1.00 0.00 C ATOM 391 O LYS A 25 -18.809 4.838 10.003 1.00 0.00 O ATOM 392 CB LYS A 25 -20.747 5.042 12.921 1.00 0.00 C ATOM 393 CG LYS A 25 -22.193 4.941 13.437 1.00 0.00 C ATOM 394 CD LYS A 25 -22.324 5.367 14.904 1.00 0.00 C ATOM 395 CE LYS A 25 -23.718 5.913 15.224 1.00 0.00 C ATOM 396 NZ LYS A 25 -24.805 4.978 14.875 1.00 0.00 N ATOM 0 H LYS A 25 -20.720 3.138 11.211 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.425 6.022 11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.188 4.150 13.204 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -20.246 5.893 13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -22.840 5.566 12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -22.544 3.915 13.327 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -22.113 4.514 15.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.577 6.129 15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.775 6.144 16.288 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -23.866 6.849 14.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -25.573 5.063 15.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -25.169 5.207 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -24.440 4.004 14.879 1.00 0.00 H new ATOM 410 N PHE A 26 -18.897 6.765 11.151 1.00 0.00 N ATOM 411 CA PHE A 26 -17.582 7.237 10.756 1.00 0.00 C ATOM 412 C PHE A 26 -17.173 8.321 11.772 1.00 0.00 C ATOM 413 O PHE A 26 -18.043 8.934 12.406 1.00 0.00 O ATOM 414 CB PHE A 26 -17.603 7.766 9.309 1.00 0.00 C ATOM 415 CG PHE A 26 -18.116 9.181 9.240 1.00 0.00 C ATOM 416 CD1 PHE A 26 -19.439 9.449 9.624 1.00 0.00 C ATOM 417 CD2 PHE A 26 -17.211 10.237 9.041 1.00 0.00 C ATOM 418 CE1 PHE A 26 -19.828 10.760 9.902 1.00 0.00 C ATOM 419 CE2 PHE A 26 -17.613 11.552 9.309 1.00 0.00 C ATOM 420 CZ PHE A 26 -18.900 11.807 9.785 1.00 0.00 C ATOM 0 H PHE A 26 -19.409 7.428 11.733 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.850 6.429 10.765 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.597 7.723 8.891 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.231 7.121 8.695 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.154 8.643 9.704 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.212 10.036 8.684 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.843 10.969 10.207 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.926 12.370 9.147 1.00 0.00 H new ATOM 0 HZ PHE A 26 -19.182 12.811 10.064 1.00 0.00 H new ATOM 430 N PRO A 27 -15.866 8.529 11.984 1.00 0.00 N ATOM 431 CA PRO A 27 -15.392 9.450 13.006 1.00 0.00 C ATOM 432 C PRO A 27 -15.582 10.913 12.610 1.00 0.00 C ATOM 433 O PRO A 27 -15.588 11.255 11.430 1.00 0.00 O ATOM 434 CB PRO A 27 -13.912 9.111 13.171 1.00 0.00 C ATOM 435 CG PRO A 27 -13.508 8.449 11.856 1.00 0.00 C ATOM 436 CD PRO A 27 -14.777 7.694 11.495 1.00 0.00 C ATOM 0 HA PRO A 27 -15.955 9.338 13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.321 10.007 13.359 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.753 8.440 14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.235 9.180 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.654 7.782 11.978 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.851 7.539 10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.796 6.709 11.961 1.00 0.00 H new ATOM 444 N ALA A 28 -15.648 11.785 13.621 1.00 0.00 N ATOM 445 CA ALA A 28 -15.458 13.221 13.473 1.00 0.00 C ATOM 446 C ALA A 28 -14.625 13.769 14.637 1.00 0.00 C ATOM 447 O ALA A 28 -14.266 13.032 15.563 1.00 0.00 O ATOM 448 CB ALA A 28 -16.814 13.923 13.354 1.00 0.00 C ATOM 0 H ALA A 28 -15.839 11.501 14.582 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.905 13.421 12.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.660 14.996 13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.346 13.542 12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -17.403 13.731 14.251 1.00 0.00 H new ATOM 454 N ILE A 29 -14.353 15.079 14.583 1.00 0.00 N ATOM 455 CA ILE A 29 -13.718 15.852 15.644 1.00 0.00 C ATOM 456 C ILE A 29 -14.452 17.172 15.832 1.00 0.00 C ATOM 457 O ILE A 29 -15.058 17.709 14.907 1.00 0.00 O ATOM 458 CB ILE A 29 -12.222 16.049 15.329 1.00 0.00 C ATOM 459 CG1 ILE A 29 -11.350 16.629 16.461 1.00 0.00 C ATOM 460 CG2 ILE A 29 -11.992 16.947 14.109 1.00 0.00 C ATOM 461 CD1 ILE A 29 -11.335 15.771 17.716 1.00 0.00 C ATOM 0 H ILE A 29 -14.580 15.646 13.766 1.00 0.00 H new ATOM 0 HA ILE A 29 -13.780 15.309 16.587 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.908 15.020 15.154 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.329 16.746 16.098 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.714 17.624 16.715 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.922 17.053 13.931 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.463 16.499 13.234 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.428 17.929 14.293 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.702 16.240 18.470 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.349 15.675 18.103 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.943 14.783 17.476 1.00 0.00 H new ATOM 473 N ILE A 30 -14.332 17.697 17.046 1.00 0.00 N ATOM 474 CA ILE A 30 -14.899 18.961 17.496 1.00 0.00 C ATOM 475 C ILE A 30 -13.727 19.742 18.062 1.00 0.00 C ATOM 476 O ILE A 30 -13.314 19.487 19.191 1.00 0.00 O ATOM 477 CB ILE A 30 -16.069 18.754 18.499 1.00 0.00 C ATOM 478 CG1 ILE A 30 -17.303 18.311 17.692 1.00 0.00 C ATOM 479 CG2 ILE A 30 -16.349 20.026 19.319 1.00 0.00 C ATOM 480 CD1 ILE A 30 -18.543 17.883 18.494 1.00 0.00 C ATOM 0 H ILE A 30 -13.807 17.225 17.783 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.367 19.518 16.684 1.00 0.00 H new ATOM 0 HB ILE A 30 -15.805 17.986 19.226 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -17.591 19.132 17.035 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -17.009 17.479 17.052 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.173 19.841 20.008 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -15.458 20.298 19.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -16.615 20.841 18.646 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.339 17.595 17.807 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.290 17.036 19.131 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -18.881 18.714 19.113 1.00 0.00 H new ATOM 492 N TYR A 31 -13.161 20.642 17.254 1.00 0.00 N ATOM 493 CA TYR A 31 -11.907 21.306 17.556 1.00 0.00 C ATOM 494 C TYR A 31 -12.063 22.797 17.800 1.00 0.00 C ATOM 495 O TYR A 31 -13.177 23.310 17.885 1.00 0.00 O ATOM 496 CB TYR A 31 -10.838 20.920 16.532 1.00 0.00 C ATOM 497 CG TYR A 31 -10.857 21.391 15.077 1.00 0.00 C ATOM 498 CD1 TYR A 31 -11.168 22.709 14.656 1.00 0.00 C ATOM 499 CD2 TYR A 31 -10.323 20.493 14.137 1.00 0.00 C ATOM 500 CE1 TYR A 31 -10.984 23.081 13.308 1.00 0.00 C ATOM 501 CE2 TYR A 31 -10.100 20.872 12.809 1.00 0.00 C ATOM 502 CZ TYR A 31 -10.460 22.157 12.375 1.00 0.00 C ATOM 503 OH TYR A 31 -10.275 22.476 11.065 1.00 0.00 O ATOM 0 H TYR A 31 -13.571 20.928 16.365 1.00 0.00 H new ATOM 0 HA TYR A 31 -11.547 20.941 18.518 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.884 21.243 16.947 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -10.820 19.831 16.502 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.546 23.428 15.368 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.079 19.488 14.447 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.245 24.078 12.986 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -9.650 20.175 12.117 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.904 21.704 10.589 1.00 0.00 H new ATOM 574 N PRO A 37 -9.676 19.372 21.842 1.00 0.00 N ATOM 575 CA PRO A 37 -10.858 19.045 21.044 1.00 0.00 C ATOM 576 C PRO A 37 -11.582 17.791 21.567 1.00 0.00 C ATOM 577 O PRO A 37 -11.328 17.341 22.686 1.00 0.00 O ATOM 578 CB PRO A 37 -10.284 18.863 19.645 1.00 0.00 C ATOM 579 CG PRO A 37 -9.027 18.093 19.951 1.00 0.00 C ATOM 580 CD PRO A 37 -8.514 18.753 21.218 1.00 0.00 C ATOM 0 HA PRO A 37 -11.630 19.813 21.080 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.958 18.310 18.991 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.076 19.815 19.157 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.231 17.033 20.104 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.304 18.164 19.139 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.057 18.020 21.883 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.750 19.496 20.990 1.00 0.00 H new ATOM 588 N LEU A 38 -12.525 17.251 20.775 1.00 0.00 N ATOM 589 CA LEU A 38 -13.449 16.214 21.224 1.00 0.00 C ATOM 590 C LEU A 38 -13.901 15.349 20.049 1.00 0.00 C ATOM 591 O LEU A 38 -14.775 15.735 19.275 1.00 0.00 O ATOM 592 CB LEU A 38 -14.646 16.875 21.913 1.00 0.00 C ATOM 593 CG LEU A 38 -15.617 15.845 22.529 1.00 0.00 C ATOM 594 CD1 LEU A 38 -15.369 15.791 24.036 1.00 0.00 C ATOM 595 CD2 LEU A 38 -17.063 16.248 22.241 1.00 0.00 C ATOM 0 H LEU A 38 -12.662 17.528 19.803 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.944 15.560 21.935 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.287 17.544 22.695 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.183 17.489 21.190 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.447 14.861 22.091 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.046 15.068 24.491 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.338 15.491 24.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.545 16.775 24.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.739 15.515 22.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.261 17.229 22.674 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -17.222 16.289 21.163 1.00 0.00 H new ATOM 607 N ALA A 39 -13.284 14.177 19.909 1.00 0.00 N ATOM 608 CA ALA A 39 -13.653 13.205 18.895 1.00 0.00 C ATOM 609 C ALA A 39 -15.012 12.594 19.260 1.00 0.00 C ATOM 610 O ALA A 39 -15.207 12.211 20.415 1.00 0.00 O ATOM 611 CB ALA A 39 -12.555 12.148 18.845 1.00 0.00 C ATOM 0 H ALA A 39 -12.510 13.878 20.502 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.749 13.665 17.911 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.803 11.401 18.091 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.606 12.620 18.590 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.470 11.666 19.819 1.00 0.00 H new ATOM 617 N ILE A 40 -15.950 12.491 18.303 1.00 0.00 N ATOM 618 CA ILE A 40 -17.271 11.938 18.509 1.00 0.00 C ATOM 619 C ILE A 40 -17.537 10.943 17.369 1.00 0.00 C ATOM 620 O ILE A 40 -17.187 11.186 16.212 1.00 0.00 O ATOM 621 CB ILE A 40 -18.327 13.059 18.584 1.00 0.00 C ATOM 622 CG1 ILE A 40 -18.558 13.891 17.305 1.00 0.00 C ATOM 623 CG2 ILE A 40 -18.096 13.947 19.816 1.00 0.00 C ATOM 624 CD1 ILE A 40 -17.463 14.899 16.965 1.00 0.00 C ATOM 0 H ILE A 40 -15.792 12.802 17.345 1.00 0.00 H new ATOM 0 HA ILE A 40 -17.334 11.412 19.462 1.00 0.00 H new ATOM 0 HB ILE A 40 -19.270 12.522 18.688 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -18.671 13.207 16.464 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -19.501 14.428 17.408 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -18.853 14.730 19.847 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -18.164 13.341 20.719 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -17.107 14.401 19.757 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.727 15.428 16.049 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -17.361 15.615 17.781 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.518 14.375 16.822 1.00 0.00 H new ATOM 636 N GLU A 41 -18.141 9.812 17.721 1.00 0.00 N ATOM 637 CA GLU A 41 -18.655 8.777 16.842 1.00 0.00 C ATOM 638 C GLU A 41 -20.083 9.143 16.430 1.00 0.00 C ATOM 639 O GLU A 41 -20.951 9.242 17.294 1.00 0.00 O ATOM 640 CB GLU A 41 -18.558 7.438 17.609 1.00 0.00 C ATOM 641 CG GLU A 41 -19.466 6.308 17.082 1.00 0.00 C ATOM 642 CD GLU A 41 -19.006 4.886 17.446 1.00 0.00 C ATOM 643 OE1 GLU A 41 -18.056 4.734 18.248 1.00 0.00 O ATOM 644 OE2 GLU A 41 -19.605 3.951 16.868 1.00 0.00 O ATOM 0 H GLU A 41 -18.293 9.582 18.703 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.083 8.682 15.919 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.524 7.095 17.578 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.802 7.619 18.656 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.473 6.459 17.471 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.528 6.388 15.997 1.00 0.00 H new ATOM 651 N LEU A 42 -20.335 9.351 15.126 1.00 0.00 N ATOM 652 CA LEU A 42 -21.668 9.673 14.607 1.00 0.00 C ATOM 653 C LEU A 42 -21.992 8.870 13.351 1.00 0.00 C ATOM 654 O LEU A 42 -21.121 8.247 12.744 1.00 0.00 O ATOM 655 CB LEU A 42 -21.856 11.185 14.359 1.00 0.00 C ATOM 656 CG LEU A 42 -21.135 11.768 13.127 1.00 0.00 C ATOM 657 CD1 LEU A 42 -21.704 13.137 12.781 1.00 0.00 C ATOM 658 CD2 LEU A 42 -19.630 11.944 13.329 1.00 0.00 C ATOM 0 H LEU A 42 -19.616 9.300 14.404 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.377 9.385 15.384 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.923 11.386 14.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.513 11.722 15.243 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.298 11.045 12.327 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -21.186 13.537 11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.767 13.044 12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.567 13.812 13.626 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -19.187 12.358 12.423 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.452 12.623 14.163 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -19.176 10.977 13.545 1.00 0.00 H new ATOM 670 N ASP A 43 -23.269 8.923 12.958 1.00 0.00 N ATOM 671 CA ASP A 43 -23.765 8.253 11.771 1.00 0.00 C ATOM 672 C ASP A 43 -23.377 9.034 10.523 1.00 0.00 C ATOM 673 O ASP A 43 -23.563 10.253 10.459 1.00 0.00 O ATOM 674 CB ASP A 43 -25.283 8.054 11.847 1.00 0.00 C ATOM 675 CG ASP A 43 -25.627 6.639 11.395 1.00 0.00 C ATOM 676 OD1 ASP A 43 -25.595 5.741 12.270 1.00 0.00 O ATOM 677 OD2 ASP A 43 -25.870 6.482 10.180 1.00 0.00 O ATOM 0 H ASP A 43 -23.987 9.439 13.466 1.00 0.00 H new ATOM 0 HA ASP A 43 -23.306 7.266 11.715 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.633 8.218 12.866 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.789 8.784 11.215 1.00 0.00 H new ATOM 682 N HIS A 44 -22.863 8.308 9.528 1.00 0.00 N ATOM 683 CA HIS A 44 -22.526 8.865 8.232 1.00 0.00 C ATOM 684 C HIS A 44 -23.781 9.326 7.519 1.00 0.00 C ATOM 685 O HIS A 44 -23.819 10.461 7.061 1.00 0.00 O ATOM 686 CB HIS A 44 -21.818 7.808 7.386 1.00 0.00 C ATOM 687 CG HIS A 44 -21.635 8.196 5.941 1.00 0.00 C ATOM 688 ND1 HIS A 44 -21.450 9.471 5.455 1.00 0.00 N ATOM 689 CD2 HIS A 44 -21.779 7.358 4.871 1.00 0.00 C ATOM 690 CE1 HIS A 44 -21.508 9.400 4.117 1.00 0.00 C ATOM 691 NE2 HIS A 44 -21.702 8.135 3.714 1.00 0.00 N ATOM 0 H HIS A 44 -22.670 7.310 9.608 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.865 9.719 8.377 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -20.840 7.604 7.823 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.388 6.880 7.432 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -21.297 10.313 6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -21.926 6.289 4.913 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -21.412 10.247 3.454 1.00 0.00 H new ATOM 699 N ASP A 45 -24.778 8.449 7.374 1.00 0.00 N ATOM 700 CA ASP A 45 -25.906 8.747 6.509 1.00 0.00 C ATOM 701 C ASP A 45 -26.773 9.880 7.082 1.00 0.00 C ATOM 702 O ASP A 45 -27.370 10.646 6.323 1.00 0.00 O ATOM 703 CB ASP A 45 -26.695 7.462 6.300 1.00 0.00 C ATOM 704 CG ASP A 45 -27.355 7.454 4.918 1.00 0.00 C ATOM 705 OD1 ASP A 45 -26.588 7.342 3.928 1.00 0.00 O ATOM 706 OD2 ASP A 45 -28.597 7.568 4.866 1.00 0.00 O ATOM 0 H ASP A 45 -24.822 7.542 7.839 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.551 9.110 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -26.032 6.602 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -27.457 7.367 7.074 1.00 0.00 H new ATOM 711 N LYS A 46 -26.747 10.039 8.417 1.00 0.00 N ATOM 712 CA LYS A 46 -27.198 11.249 9.098 1.00 0.00 C ATOM 713 C LYS A 46 -26.374 12.426 8.571 1.00 0.00 C ATOM 714 O LYS A 46 -26.890 13.206 7.772 1.00 0.00 O ATOM 715 CB LYS A 46 -27.109 11.098 10.633 1.00 0.00 C ATOM 716 CG LYS A 46 -27.701 12.308 11.370 1.00 0.00 C ATOM 717 CD LYS A 46 -27.261 12.445 12.837 1.00 0.00 C ATOM 718 CE LYS A 46 -27.602 11.262 13.736 1.00 0.00 C ATOM 719 NZ LYS A 46 -29.049 11.155 14.023 1.00 0.00 N ATOM 0 H LYS A 46 -26.407 9.318 9.054 1.00 0.00 H new ATOM 0 HA LYS A 46 -28.251 11.432 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -27.637 10.195 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.066 10.972 10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -27.421 13.215 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.788 12.241 11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -26.182 12.599 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -27.721 13.341 13.254 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.262 10.342 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.057 11.357 14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -29.292 10.163 14.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -29.283 11.739 14.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -29.592 11.488 13.201 1.00 0.00 H new ATOM 733 N VAL A 47 -25.110 12.568 9.007 1.00 0.00 N ATOM 734 CA VAL A 47 -24.341 13.782 8.751 1.00 0.00 C ATOM 735 C VAL A 47 -24.208 14.125 7.262 1.00 0.00 C ATOM 736 O VAL A 47 -24.050 15.286 6.907 1.00 0.00 O ATOM 737 CB VAL A 47 -22.985 13.703 9.433 1.00 0.00 C ATOM 738 CG1 VAL A 47 -21.998 12.875 8.639 1.00 0.00 C ATOM 739 CG2 VAL A 47 -22.419 15.106 9.656 1.00 0.00 C ATOM 0 H VAL A 47 -24.607 11.855 9.536 1.00 0.00 H new ATOM 0 HA VAL A 47 -24.906 14.607 9.184 1.00 0.00 H new ATOM 0 HB VAL A 47 -23.136 13.212 10.394 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.043 12.846 9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -22.381 11.861 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -21.858 13.321 7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.448 15.033 10.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -22.305 15.609 8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -23.101 15.677 10.286 1.00 0.00 H new ATOM 749 N MET A 48 -24.295 13.113 6.401 1.00 0.00 N ATOM 750 CA MET A 48 -24.422 13.227 4.962 1.00 0.00 C ATOM 751 C MET A 48 -25.543 14.213 4.648 1.00 0.00 C ATOM 752 O MET A 48 -25.255 15.282 4.138 1.00 0.00 O ATOM 753 CB MET A 48 -24.639 11.858 4.300 1.00 0.00 C ATOM 754 CG MET A 48 -24.805 11.930 2.773 1.00 0.00 C ATOM 755 SD MET A 48 -23.315 11.611 1.786 1.00 0.00 S ATOM 756 CE MET A 48 -22.357 13.138 1.971 1.00 0.00 C ATOM 0 H MET A 48 -24.277 12.142 6.712 1.00 0.00 H new ATOM 0 HA MET A 48 -23.492 13.609 4.542 1.00 0.00 H new ATOM 0 HB2 MET A 48 -23.793 11.212 4.535 1.00 0.00 H new ATOM 0 HB3 MET A 48 -25.525 11.392 4.731 1.00 0.00 H new ATOM 0 HG2 MET A 48 -25.571 11.213 2.478 1.00 0.00 H new ATOM 0 HG3 MET A 48 -25.180 12.921 2.516 1.00 0.00 H new ATOM 0 HE1 MET A 48 -21.389 13.021 1.484 1.00 0.00 H new ATOM 0 HE2 MET A 48 -22.898 13.965 1.511 1.00 0.00 H new ATOM 0 HE3 MET A 48 -22.207 13.347 3.030 1.00 0.00 H new ATOM 766 N ASN A 49 -26.792 13.922 5.012 1.00 0.00 N ATOM 767 CA ASN A 49 -27.902 14.859 4.847 1.00 0.00 C ATOM 768 C ASN A 49 -27.682 16.207 5.535 1.00 0.00 C ATOM 769 O ASN A 49 -28.337 17.175 5.154 1.00 0.00 O ATOM 770 CB ASN A 49 -29.140 14.193 5.439 1.00 0.00 C ATOM 771 CG ASN A 49 -30.431 15.008 5.362 1.00 0.00 C ATOM 772 OD1 ASN A 49 -30.720 15.679 4.375 1.00 0.00 O ATOM 773 ND2 ASN A 49 -31.231 14.943 6.425 1.00 0.00 N ATOM 0 H ASN A 49 -27.062 13.031 5.429 1.00 0.00 H new ATOM 0 HA ASN A 49 -28.004 15.078 3.784 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -29.300 13.244 4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -28.940 13.961 6.485 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -32.111 15.459 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -30.964 14.377 7.230 1.00 0.00 H new ATOM 780 N MET A 50 -26.788 16.298 6.525 1.00 0.00 N ATOM 781 CA MET A 50 -26.589 17.494 7.296 1.00 0.00 C ATOM 782 C MET A 50 -25.618 18.405 6.534 1.00 0.00 C ATOM 783 O MET A 50 -26.058 19.425 6.020 1.00 0.00 O ATOM 784 CB MET A 50 -26.120 17.079 8.692 1.00 0.00 C ATOM 785 CG MET A 50 -26.960 16.017 9.375 1.00 0.00 C ATOM 786 SD MET A 50 -28.667 16.389 9.794 1.00 0.00 S ATOM 787 CE MET A 50 -28.558 15.985 11.550 1.00 0.00 C ATOM 0 H MET A 50 -26.183 15.525 6.804 1.00 0.00 H new ATOM 0 HA MET A 50 -27.501 18.075 7.434 1.00 0.00 H new ATOM 0 HB2 MET A 50 -25.095 16.715 8.618 1.00 0.00 H new ATOM 0 HB3 MET A 50 -26.099 17.965 9.327 1.00 0.00 H new ATOM 0 HG2 MET A 50 -26.964 15.137 8.732 1.00 0.00 H new ATOM 0 HG3 MET A 50 -26.449 15.736 10.296 1.00 0.00 H new ATOM 0 HE1 MET A 50 -29.472 15.481 11.865 1.00 0.00 H new ATOM 0 HE2 MET A 50 -27.704 15.329 11.720 1.00 0.00 H new ATOM 0 HE3 MET A 50 -28.432 16.901 12.127 1.00 0.00 H new ATOM 797 N GLN A 51 -24.330 18.050 6.382 1.00 0.00 N ATOM 798 CA GLN A 51 -23.370 18.855 5.591 1.00 0.00 C ATOM 799 C GLN A 51 -23.802 19.080 4.139 1.00 0.00 C ATOM 800 O GLN A 51 -23.280 19.975 3.473 1.00 0.00 O ATOM 801 CB GLN A 51 -21.905 18.378 5.719 1.00 0.00 C ATOM 802 CG GLN A 51 -21.492 16.974 5.274 1.00 0.00 C ATOM 803 CD GLN A 51 -21.696 16.736 3.792 1.00 0.00 C ATOM 804 OE1 GLN A 51 -20.900 17.157 2.956 1.00 0.00 O ATOM 805 NE2 GLN A 51 -22.779 16.051 3.462 1.00 0.00 N ATOM 0 H GLN A 51 -23.925 17.210 6.796 1.00 0.00 H new ATOM 0 HA GLN A 51 -23.395 19.841 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.290 19.084 5.161 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -21.628 18.474 6.769 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.442 16.816 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.066 16.238 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -23.414 15.720 4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -22.979 15.854 2.481 1.00 0.00 H new ATOM 814 N ALA A 52 -24.797 18.320 3.672 1.00 0.00 N ATOM 815 CA ALA A 52 -25.382 18.432 2.367 1.00 0.00 C ATOM 816 C ALA A 52 -26.242 19.684 2.142 1.00 0.00 C ATOM 817 O ALA A 52 -26.597 19.874 0.979 1.00 0.00 O ATOM 818 CB ALA A 52 -26.167 17.148 2.084 1.00 0.00 C ATOM 0 H ALA A 52 -25.223 17.582 4.232 1.00 0.00 H new ATOM 0 HA ALA A 52 -24.565 18.556 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -26.622 17.210 1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -25.492 16.293 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -26.947 17.026 2.835 1.00 0.00 H new ATOM 824 N LYS A 53 -26.574 20.535 3.147 1.00 0.00 N ATOM 825 CA LYS A 53 -27.517 21.648 2.870 1.00 0.00 C ATOM 826 C LYS A 53 -26.987 23.070 3.003 1.00 0.00 C ATOM 827 O LYS A 53 -27.756 24.023 2.926 1.00 0.00 O ATOM 828 CB LYS A 53 -28.873 21.446 3.563 1.00 0.00 C ATOM 829 CG LYS A 53 -28.810 21.661 5.085 1.00 0.00 C ATOM 830 CD LYS A 53 -28.890 20.360 5.880 1.00 0.00 C ATOM 831 CE LYS A 53 -30.310 19.816 6.075 1.00 0.00 C ATOM 832 NZ LYS A 53 -30.700 18.882 4.999 1.00 0.00 N ATOM 0 H LYS A 53 -26.226 20.480 4.104 1.00 0.00 H new ATOM 0 HA LYS A 53 -27.666 21.570 1.793 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -29.600 22.136 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -29.232 20.437 3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -27.882 22.175 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -29.628 22.315 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -28.292 19.603 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -28.439 20.520 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -30.374 19.307 7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -31.015 20.647 6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -31.534 18.337 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -30.928 19.420 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -29.913 18.231 4.802 1.00 0.00 H new ATOM 846 N ALA A 54 -25.670 23.177 3.128 1.00 0.00 N ATOM 847 CA ALA A 54 -24.822 24.365 3.271 1.00 0.00 C ATOM 848 C ALA A 54 -25.070 25.191 4.538 1.00 0.00 C ATOM 849 O ALA A 54 -24.128 25.633 5.192 1.00 0.00 O ATOM 850 CB ALA A 54 -24.927 25.249 2.024 1.00 0.00 C ATOM 0 H ALA A 54 -25.097 22.333 3.133 1.00 0.00 H new ATOM 0 HA ALA A 54 -23.807 23.981 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -24.292 26.127 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -24.603 24.685 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -25.961 25.566 1.888 1.00 0.00 H new ATOM 856 N GLU A 55 -26.335 25.311 4.936 1.00 0.00 N ATOM 857 CA GLU A 55 -26.843 25.739 6.221 1.00 0.00 C ATOM 858 C GLU A 55 -26.225 24.946 7.382 1.00 0.00 C ATOM 859 O GLU A 55 -26.338 25.343 8.532 1.00 0.00 O ATOM 860 CB GLU A 55 -28.357 25.498 6.192 1.00 0.00 C ATOM 861 CG GLU A 55 -29.114 26.301 5.121 1.00 0.00 C ATOM 862 CD GLU A 55 -30.624 26.032 5.160 1.00 0.00 C ATOM 863 OE1 GLU A 55 -31.007 24.873 5.439 1.00 0.00 O ATOM 864 OE2 GLU A 55 -31.381 26.988 4.885 1.00 0.00 O ATOM 0 H GLU A 55 -27.098 25.087 4.297 1.00 0.00 H new ATOM 0 HA GLU A 55 -26.590 26.787 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -28.539 24.436 6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -28.769 25.744 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -28.932 27.365 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -28.726 26.046 4.135 1.00 0.00 H new ATOM 871 N PHE A 56 -25.565 23.820 7.111 1.00 0.00 N ATOM 872 CA PHE A 56 -24.820 23.066 8.103 1.00 0.00 C ATOM 873 C PHE A 56 -23.570 23.798 8.545 1.00 0.00 C ATOM 874 O PHE A 56 -23.298 23.940 9.736 1.00 0.00 O ATOM 875 CB PHE A 56 -24.431 21.750 7.458 1.00 0.00 C ATOM 876 CG PHE A 56 -23.584 20.785 8.270 1.00 0.00 C ATOM 877 CD1 PHE A 56 -22.176 20.787 8.201 1.00 0.00 C ATOM 878 CD2 PHE A 56 -24.236 19.763 8.970 1.00 0.00 C ATOM 879 CE1 PHE A 56 -21.442 19.747 8.807 1.00 0.00 C ATOM 880 CE2 PHE A 56 -23.506 18.699 9.521 1.00 0.00 C ATOM 881 CZ PHE A 56 -22.114 18.685 9.433 1.00 0.00 C ATOM 0 H PHE A 56 -25.536 23.405 6.180 1.00 0.00 H new ATOM 0 HA PHE A 56 -25.437 22.920 8.989 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -25.347 21.233 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -23.893 21.975 6.537 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -21.661 21.584 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -25.309 19.794 9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -20.362 19.767 8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -24.023 17.889 10.014 1.00 0.00 H new ATOM 0 HZ PHE A 56 -21.554 17.859 9.846 1.00 0.00 H new ATOM 891 N TYR A 57 -22.789 24.207 7.549 1.00 0.00 N ATOM 892 CA TYR A 57 -21.515 24.844 7.785 1.00 0.00 C ATOM 893 C TYR A 57 -21.724 26.309 8.174 1.00 0.00 C ATOM 894 O TYR A 57 -20.924 26.864 8.926 1.00 0.00 O ATOM 895 CB TYR A 57 -20.610 24.639 6.557 1.00 0.00 C ATOM 896 CG TYR A 57 -20.883 25.464 5.307 1.00 0.00 C ATOM 897 CD1 TYR A 57 -20.636 26.853 5.294 1.00 0.00 C ATOM 898 CD2 TYR A 57 -21.302 24.825 4.123 1.00 0.00 C ATOM 899 CE1 TYR A 57 -20.866 27.607 4.132 1.00 0.00 C ATOM 900 CE2 TYR A 57 -21.511 25.568 2.947 1.00 0.00 C ATOM 901 CZ TYR A 57 -21.311 26.969 2.953 1.00 0.00 C ATOM 902 OH TYR A 57 -21.527 27.702 1.824 1.00 0.00 O ATOM 0 H TYR A 57 -23.028 24.103 6.563 1.00 0.00 H new ATOM 0 HA TYR A 57 -21.000 24.386 8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -19.583 24.835 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -20.664 23.587 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.267 27.340 6.185 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -21.464 23.757 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.703 28.675 4.140 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -21.824 25.070 2.041 1.00 0.00 H new ATOM 0 HH TYR A 57 -21.829 27.111 1.103 1.00 0.00 H new ATOM 912 N SER A 58 -22.814 26.915 7.679 1.00 0.00 N ATOM 913 CA SER A 58 -23.189 28.286 7.962 1.00 0.00 C ATOM 914 C SER A 58 -23.878 28.397 9.328 1.00 0.00 C ATOM 915 O SER A 58 -23.578 29.335 10.068 1.00 0.00 O ATOM 916 CB SER A 58 -24.088 28.779 6.821 1.00 0.00 C ATOM 917 OG SER A 58 -24.331 30.167 6.919 1.00 0.00 O ATOM 0 H SER A 58 -23.468 26.442 7.056 1.00 0.00 H new ATOM 0 HA SER A 58 -22.302 28.917 8.017 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.617 28.557 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 58 -25.035 28.240 6.843 1.00 0.00 H new ATOM 0 HG SER A 58 -24.905 30.452 6.178 1.00 0.00 H new ATOM 923 N GLU A 59 -24.772 27.453 9.681 1.00 0.00 N ATOM 924 CA GLU A 59 -25.663 27.575 10.823 1.00 0.00 C ATOM 925 C GLU A 59 -25.379 26.413 11.772 1.00 0.00 C ATOM 926 O GLU A 59 -25.598 25.250 11.429 1.00 0.00 O ATOM 927 CB GLU A 59 -27.150 27.643 10.409 1.00 0.00 C ATOM 928 CG GLU A 59 -27.475 28.191 9.001 1.00 0.00 C ATOM 929 CD GLU A 59 -28.703 29.102 9.034 1.00 0.00 C ATOM 930 OE1 GLU A 59 -29.799 28.566 9.314 1.00 0.00 O ATOM 931 OE2 GLU A 59 -28.524 30.318 8.804 1.00 0.00 O ATOM 0 H GLU A 59 -24.887 26.579 9.168 1.00 0.00 H new ATOM 0 HA GLU A 59 -25.470 28.519 11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -27.566 26.638 10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -27.674 28.260 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -26.618 28.744 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -27.652 27.361 8.317 1.00 0.00 H new ATOM 938 N VAL A 60 -24.870 26.758 12.959 1.00 0.00 N ATOM 939 CA VAL A 60 -24.378 25.865 14.003 1.00 0.00 C ATOM 940 C VAL A 60 -25.264 24.637 14.220 1.00 0.00 C ATOM 941 O VAL A 60 -26.492 24.725 14.166 1.00 0.00 O ATOM 942 CB VAL A 60 -24.176 26.691 15.293 1.00 0.00 C ATOM 943 CG1 VAL A 60 -25.448 27.405 15.789 1.00 0.00 C ATOM 944 CG2 VAL A 60 -23.627 25.849 16.430 1.00 0.00 C ATOM 0 H VAL A 60 -24.787 27.738 13.231 1.00 0.00 H new ATOM 0 HA VAL A 60 -23.423 25.447 13.685 1.00 0.00 H new ATOM 0 HB VAL A 60 -23.452 27.453 15.005 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -25.221 27.962 16.698 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -25.802 28.092 15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -26.221 26.666 16.000 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.501 26.471 17.316 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -24.322 25.039 16.651 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.663 25.431 16.141 1.00 0.00 H new ATOM 954 N LEU A 61 -24.620 23.497 14.502 1.00 0.00 N ATOM 955 CA LEU A 61 -25.271 22.219 14.696 1.00 0.00 C ATOM 956 C LEU A 61 -25.180 21.833 16.165 1.00 0.00 C ATOM 957 O LEU A 61 -24.284 22.313 16.861 1.00 0.00 O ATOM 958 CB LEU A 61 -24.548 21.147 13.880 1.00 0.00 C ATOM 959 CG LEU A 61 -24.071 21.521 12.464 1.00 0.00 C ATOM 960 CD1 LEU A 61 -23.127 20.432 11.978 1.00 0.00 C ATOM 961 CD2 LEU A 61 -25.169 21.679 11.412 1.00 0.00 C ATOM 0 H LEU A 61 -23.606 23.449 14.602 1.00 0.00 H new ATOM 0 HA LEU A 61 -26.312 22.295 14.381 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -23.679 20.821 14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -25.213 20.287 13.793 1.00 0.00 H new ATOM 0 HG LEU A 61 -23.605 22.501 12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -22.776 20.676 10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -22.275 20.361 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -23.653 19.478 11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -24.720 21.942 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -25.714 20.741 11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -25.857 22.467 11.719 1.00 0.00 H new ATOM 973 N THR A 62 -26.043 20.912 16.613 1.00 0.00 N ATOM 974 CA THR A 62 -26.056 20.497 18.012 1.00 0.00 C ATOM 975 C THR A 62 -25.692 19.013 18.116 1.00 0.00 C ATOM 976 O THR A 62 -26.472 18.148 17.752 1.00 0.00 O ATOM 977 CB THR A 62 -27.409 20.817 18.651 1.00 0.00 C ATOM 978 OG1 THR A 62 -27.877 22.110 18.313 1.00 0.00 O ATOM 979 CG2 THR A 62 -27.274 20.728 20.169 1.00 0.00 C ATOM 0 H THR A 62 -26.735 20.445 16.027 1.00 0.00 H new ATOM 0 HA THR A 62 -25.305 21.057 18.569 1.00 0.00 H new ATOM 0 HB THR A 62 -28.130 20.092 18.272 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.744 22.267 18.743 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.234 20.955 20.634 1.00 0.00 H new ATOM 0 HG22 THR A 62 -26.964 19.721 20.448 1.00 0.00 H new ATOM 0 HG23 THR A 62 -26.527 21.445 20.511 1.00 0.00 H new ATOM 987 N ILE A 63 -24.487 18.701 18.577 1.00 0.00 N ATOM 988 CA ILE A 63 -23.931 17.361 18.621 1.00 0.00 C ATOM 989 C ILE A 63 -24.309 16.749 19.957 1.00 0.00 C ATOM 990 O ILE A 63 -23.769 17.139 20.985 1.00 0.00 O ATOM 991 CB ILE A 63 -22.394 17.383 18.466 1.00 0.00 C ATOM 992 CG1 ILE A 63 -21.887 18.419 17.450 1.00 0.00 C ATOM 993 CG2 ILE A 63 -21.871 15.962 18.210 1.00 0.00 C ATOM 994 CD1 ILE A 63 -22.102 18.093 15.985 1.00 0.00 C ATOM 0 H ILE A 63 -23.847 19.406 18.944 1.00 0.00 H new ATOM 0 HA ILE A 63 -24.331 16.773 17.795 1.00 0.00 H new ATOM 0 HB ILE A 63 -21.973 17.728 19.410 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -22.373 19.371 17.662 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.819 18.563 17.614 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -20.787 15.987 18.102 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -22.137 15.320 19.049 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -22.317 15.569 17.297 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -21.702 18.899 15.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -21.590 17.162 15.740 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -23.169 17.983 15.790 1.00 0.00 H new ATOM 1006 N VAL A 64 -25.252 15.813 19.945 1.00 0.00 N ATOM 1007 CA VAL A 64 -25.836 15.271 21.161 1.00 0.00 C ATOM 1008 C VAL A 64 -25.064 14.007 21.516 1.00 0.00 C ATOM 1009 O VAL A 64 -25.501 12.906 21.185 1.00 0.00 O ATOM 1010 CB VAL A 64 -27.354 15.101 20.994 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -28.050 14.666 22.278 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -27.964 16.441 20.583 1.00 0.00 C ATOM 0 H VAL A 64 -25.632 15.410 19.089 1.00 0.00 H new ATOM 0 HA VAL A 64 -25.741 15.948 22.010 1.00 0.00 H new ATOM 0 HB VAL A 64 -27.500 14.327 20.241 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -29.120 14.563 22.095 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -27.644 13.709 22.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -27.885 15.414 23.053 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -29.041 16.329 20.462 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -27.761 17.185 21.353 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -27.525 16.766 19.640 1.00 0.00 H new ATOM 1022 N VAL A 65 -23.888 14.187 22.130 1.00 0.00 N ATOM 1023 CA VAL A 65 -22.988 13.124 22.540 1.00 0.00 C ATOM 1024 C VAL A 65 -23.607 12.404 23.732 1.00 0.00 C ATOM 1025 O VAL A 65 -23.512 12.866 24.868 1.00 0.00 O ATOM 1026 CB VAL A 65 -21.547 13.631 22.765 1.00 0.00 C ATOM 1027 CG1 VAL A 65 -21.051 14.339 21.510 1.00 0.00 C ATOM 1028 CG2 VAL A 65 -21.338 14.604 23.925 1.00 0.00 C ATOM 0 H VAL A 65 -23.532 15.115 22.359 1.00 0.00 H new ATOM 0 HA VAL A 65 -22.873 12.394 21.739 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.994 12.724 23.012 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -20.034 14.696 21.672 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -21.063 13.643 20.671 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -21.701 15.185 21.288 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -20.286 14.886 23.979 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -21.945 15.495 23.766 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -21.634 14.126 24.859 1.00 0.00 H new ATOM 1038 N ASP A 66 -24.306 11.297 23.453 1.00 0.00 N ATOM 1039 CA ASP A 66 -24.978 10.477 24.460 1.00 0.00 C ATOM 1040 C ASP A 66 -25.972 11.292 25.320 1.00 0.00 C ATOM 1041 O ASP A 66 -26.237 10.953 26.472 1.00 0.00 O ATOM 1042 CB ASP A 66 -23.895 9.719 25.253 1.00 0.00 C ATOM 1043 CG ASP A 66 -24.455 8.617 26.157 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -25.313 7.849 25.668 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -23.989 8.540 27.317 1.00 0.00 O ATOM 0 H ASP A 66 -24.421 10.943 22.503 1.00 0.00 H new ATOM 0 HA ASP A 66 -25.623 9.737 23.986 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -23.186 9.277 24.553 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -23.339 10.430 25.863 1.00 0.00 H new ATOM 1050 N GLY A 67 -26.510 12.390 24.763 1.00 0.00 N ATOM 1051 CA GLY A 67 -27.464 13.278 25.425 1.00 0.00 C ATOM 1052 C GLY A 67 -26.905 14.661 25.782 1.00 0.00 C ATOM 1053 O GLY A 67 -27.678 15.518 26.204 1.00 0.00 O ATOM 0 H GLY A 67 -26.283 12.687 23.814 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -28.331 13.407 24.777 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -27.817 12.796 26.337 1.00 0.00 H new ATOM 1057 N LYS A 68 -25.596 14.902 25.613 1.00 0.00 N ATOM 1058 CA LYS A 68 -24.960 16.186 25.907 1.00 0.00 C ATOM 1059 C LYS A 68 -24.858 16.969 24.618 1.00 0.00 C ATOM 1060 O LYS A 68 -24.255 16.496 23.669 1.00 0.00 O ATOM 1061 CB LYS A 68 -23.566 15.969 26.495 1.00 0.00 C ATOM 1062 CG LYS A 68 -23.685 15.561 27.961 1.00 0.00 C ATOM 1063 CD LYS A 68 -22.458 14.788 28.465 1.00 0.00 C ATOM 1064 CE LYS A 68 -21.175 15.618 28.338 1.00 0.00 C ATOM 1065 NZ LYS A 68 -19.998 14.878 28.830 1.00 0.00 N ATOM 0 H LYS A 68 -24.945 14.199 25.264 1.00 0.00 H new ATOM 0 HA LYS A 68 -25.555 16.734 26.638 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -23.040 15.197 25.934 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.978 16.882 26.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -23.823 16.453 28.572 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -24.575 14.945 28.091 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -22.608 14.506 29.507 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -22.351 13.864 27.897 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.022 15.894 27.295 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.284 16.545 28.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.149 15.470 28.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -20.134 14.636 29.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.880 14.006 28.276 1.00 0.00 H new ATOM 1079 N GLU A 69 -25.462 18.148 24.588 1.00 0.00 N ATOM 1080 CA GLU A 69 -25.757 18.894 23.372 1.00 0.00 C ATOM 1081 C GLU A 69 -24.677 19.947 23.092 1.00 0.00 C ATOM 1082 O GLU A 69 -24.586 20.920 23.841 1.00 0.00 O ATOM 1083 CB GLU A 69 -27.149 19.513 23.555 1.00 0.00 C ATOM 1084 CG GLU A 69 -28.195 18.442 23.895 1.00 0.00 C ATOM 1085 CD GLU A 69 -29.602 18.889 23.498 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -29.940 18.710 22.306 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -30.310 19.421 24.381 1.00 0.00 O ATOM 0 H GLU A 69 -25.770 18.627 25.434 1.00 0.00 H new ATOM 0 HA GLU A 69 -25.756 18.241 22.500 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -27.116 20.258 24.350 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -27.441 20.033 22.643 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.948 17.514 23.380 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.167 18.231 24.964 1.00 0.00 H new ATOM 1094 N ILE A 70 -23.837 19.753 22.055 1.00 0.00 N ATOM 1095 CA ILE A 70 -22.636 20.578 21.857 1.00 0.00 C ATOM 1096 C ILE A 70 -22.814 21.418 20.590 1.00 0.00 C ATOM 1097 O ILE A 70 -23.105 20.884 19.529 1.00 0.00 O ATOM 1098 CB ILE A 70 -21.360 19.695 21.816 1.00 0.00 C ATOM 1099 CG1 ILE A 70 -20.850 19.256 23.205 1.00 0.00 C ATOM 1100 CG2 ILE A 70 -20.208 20.427 21.133 1.00 0.00 C ATOM 1101 CD1 ILE A 70 -21.754 18.221 23.852 1.00 0.00 C ATOM 0 H ILE A 70 -23.971 19.033 21.345 1.00 0.00 H new ATOM 0 HA ILE A 70 -22.506 21.258 22.699 1.00 0.00 H new ATOM 0 HB ILE A 70 -21.665 18.808 21.260 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -19.845 18.846 23.107 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -20.777 20.128 23.855 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -19.327 19.785 21.118 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -20.491 20.678 20.111 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -19.982 21.341 21.682 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -21.352 17.945 24.827 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -22.753 18.638 23.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -21.806 17.336 23.218 1.00 0.00 H new ATOM 1113 N LYS A 71 -22.597 22.732 20.677 1.00 0.00 N ATOM 1114 CA LYS A 71 -22.683 23.637 19.548 1.00 0.00 C ATOM 1115 C LYS A 71 -21.378 23.672 18.782 1.00 0.00 C ATOM 1116 O LYS A 71 -20.339 23.984 19.363 1.00 0.00 O ATOM 1117 CB LYS A 71 -23.094 25.044 20.016 1.00 0.00 C ATOM 1118 CG LYS A 71 -24.587 25.234 20.298 1.00 0.00 C ATOM 1119 CD LYS A 71 -25.507 24.444 19.355 1.00 0.00 C ATOM 1120 CE LYS A 71 -26.764 25.185 18.951 1.00 0.00 C ATOM 1121 NZ LYS A 71 -27.718 25.327 20.067 1.00 0.00 N ATOM 0 H LYS A 71 -22.353 23.197 21.552 1.00 0.00 H new ATOM 0 HA LYS A 71 -23.453 23.269 18.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -22.537 25.284 20.922 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -22.791 25.764 19.256 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -24.793 24.934 21.325 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -24.829 26.294 20.221 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -24.949 24.181 18.456 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -25.789 23.509 19.840 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -26.496 26.174 18.578 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -27.246 24.655 18.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -28.561 25.841 19.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -27.997 24.385 20.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -27.269 25.856 20.842 1.00 0.00 H new ATOM 1135 N VAL A 72 -21.454 23.366 17.476 1.00 0.00 N ATOM 1136 CA VAL A 72 -20.315 23.398 16.563 1.00 0.00 C ATOM 1137 C VAL A 72 -20.693 23.733 15.114 1.00 0.00 C ATOM 1138 O VAL A 72 -21.839 23.547 14.717 1.00 0.00 O ATOM 1139 CB VAL A 72 -19.534 22.088 16.619 1.00 0.00 C ATOM 1140 CG1 VAL A 72 -18.984 21.753 17.987 1.00 0.00 C ATOM 1141 CG2 VAL A 72 -20.399 20.942 16.118 1.00 0.00 C ATOM 0 H VAL A 72 -22.325 23.086 17.025 1.00 0.00 H new ATOM 0 HA VAL A 72 -19.681 24.214 16.911 1.00 0.00 H new ATOM 0 HB VAL A 72 -18.670 22.229 15.970 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -18.443 20.808 17.940 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -18.306 22.543 18.310 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -19.805 21.666 18.698 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -19.832 20.012 16.162 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -21.287 20.856 16.744 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -20.699 21.136 15.088 1.00 0.00 H new ATOM 1151 N LYS A 73 -19.718 24.171 14.305 1.00 0.00 N ATOM 1152 CA LYS A 73 -19.903 24.559 12.900 1.00 0.00 C ATOM 1153 C LYS A 73 -18.764 24.005 12.067 1.00 0.00 C ATOM 1154 O LYS A 73 -17.614 24.112 12.473 1.00 0.00 O ATOM 1155 CB LYS A 73 -19.855 26.080 12.747 1.00 0.00 C ATOM 1156 CG LYS A 73 -21.034 26.775 13.426 1.00 0.00 C ATOM 1157 CD LYS A 73 -20.697 28.187 13.892 1.00 0.00 C ATOM 1158 CE LYS A 73 -20.315 29.107 12.727 1.00 0.00 C ATOM 1159 NZ LYS A 73 -19.913 30.444 13.207 1.00 0.00 N ATOM 0 H LYS A 73 -18.752 24.268 14.619 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.868 24.171 12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.923 26.455 13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.849 26.335 11.687 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -21.874 26.817 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.356 26.182 14.282 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -21.553 28.608 14.419 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.873 28.145 14.605 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.497 28.660 12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.159 29.202 12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.661 31.043 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -20.703 30.879 13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.092 30.354 13.839 1.00 0.00 H new ATOM 1173 N ALA A 74 -19.083 23.452 10.897 1.00 0.00 N ATOM 1174 CA ALA A 74 -18.112 22.745 10.070 1.00 0.00 C ATOM 1175 C ALA A 74 -16.901 23.604 9.680 1.00 0.00 C ATOM 1176 O ALA A 74 -17.018 24.821 9.529 1.00 0.00 O ATOM 1177 CB ALA A 74 -18.805 22.223 8.815 1.00 0.00 C ATOM 0 H ALA A 74 -20.021 23.483 10.498 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.723 21.921 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -18.082 21.694 8.194 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -19.607 21.542 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -19.221 23.060 8.254 1.00 0.00 H new ATOM 1183 N GLN A 75 -15.764 22.936 9.450 1.00 0.00 N ATOM 1184 CA GLN A 75 -14.542 23.521 8.908 1.00 0.00 C ATOM 1185 C GLN A 75 -13.959 22.646 7.792 1.00 0.00 C ATOM 1186 O GLN A 75 -13.559 23.177 6.758 1.00 0.00 O ATOM 1187 CB GLN A 75 -13.493 23.738 10.015 1.00 0.00 C ATOM 1188 CG GLN A 75 -13.261 25.226 10.323 1.00 0.00 C ATOM 1189 CD GLN A 75 -12.613 26.044 9.202 1.00 0.00 C ATOM 1190 OE1 GLN A 75 -11.906 25.523 8.344 1.00 0.00 O ATOM 1191 NE2 GLN A 75 -12.795 27.361 9.249 1.00 0.00 N ATOM 0 H GLN A 75 -15.671 21.939 9.645 1.00 0.00 H new ATOM 0 HA GLN A 75 -14.803 24.491 8.485 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.817 23.229 10.923 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.550 23.282 9.712 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -14.220 25.680 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.634 25.301 11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.388 27.768 9.972 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.342 27.963 8.562 1.00 0.00 H new ATOM 1200 N ASP A 76 -13.917 21.319 7.991 1.00 0.00 N ATOM 1201 CA ASP A 76 -13.289 20.367 7.083 1.00 0.00 C ATOM 1202 C ASP A 76 -14.179 19.134 7.046 1.00 0.00 C ATOM 1203 O ASP A 76 -14.010 18.213 7.837 1.00 0.00 O ATOM 1204 CB ASP A 76 -11.838 20.050 7.511 1.00 0.00 C ATOM 1205 CG ASP A 76 -11.202 18.905 6.704 1.00 0.00 C ATOM 1206 OD1 ASP A 76 -11.493 18.823 5.491 1.00 0.00 O ATOM 1207 OD2 ASP A 76 -10.416 18.128 7.299 1.00 0.00 O ATOM 0 H ASP A 76 -14.331 20.875 8.811 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.201 20.783 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.229 20.947 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.827 19.789 8.569 1.00 0.00 H new ATOM 1212 N VAL A 77 -15.159 19.131 6.137 1.00 0.00 N ATOM 1213 CA VAL A 77 -15.792 17.892 5.712 1.00 0.00 C ATOM 1214 C VAL A 77 -14.914 17.325 4.588 1.00 0.00 C ATOM 1215 O VAL A 77 -14.421 18.048 3.721 1.00 0.00 O ATOM 1216 CB VAL A 77 -17.270 18.089 5.305 1.00 0.00 C ATOM 1217 CG1 VAL A 77 -18.167 18.608 6.442 1.00 0.00 C ATOM 1218 CG2 VAL A 77 -17.424 19.058 4.147 1.00 0.00 C ATOM 0 H VAL A 77 -15.525 19.970 5.687 1.00 0.00 H new ATOM 0 HA VAL A 77 -15.852 17.179 6.534 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.591 17.087 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -19.188 18.720 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -18.153 17.898 7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -17.796 19.574 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.480 19.163 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -17.019 20.030 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.883 18.678 3.280 1.00 0.00 H new ATOM 1228 N GLN A 78 -14.740 16.009 4.620 1.00 0.00 N ATOM 1229 CA GLN A 78 -13.882 15.217 3.751 1.00 0.00 C ATOM 1230 C GLN A 78 -14.784 14.202 3.066 1.00 0.00 C ATOM 1231 O GLN A 78 -15.431 13.393 3.733 1.00 0.00 O ATOM 1232 CB GLN A 78 -12.758 14.509 4.532 1.00 0.00 C ATOM 1233 CG GLN A 78 -11.732 15.463 5.170 1.00 0.00 C ATOM 1234 CD GLN A 78 -10.544 14.718 5.801 1.00 0.00 C ATOM 1235 OE1 GLN A 78 -10.163 13.637 5.359 1.00 0.00 O ATOM 1236 NE2 GLN A 78 -9.931 15.296 6.833 1.00 0.00 N ATOM 0 H GLN A 78 -15.229 15.429 5.301 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.381 15.861 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.205 13.898 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.235 13.830 3.858 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.362 16.153 4.411 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.226 16.064 5.933 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.263 16.194 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.130 14.841 7.271 1.00 0.00 H new ATOM 1245 N ARG A 79 -14.858 14.285 1.736 1.00 0.00 N ATOM 1246 CA ARG A 79 -15.723 13.445 0.921 1.00 0.00 C ATOM 1247 C ARG A 79 -15.022 12.128 0.579 1.00 0.00 C ATOM 1248 O ARG A 79 -13.804 12.010 0.703 1.00 0.00 O ATOM 1249 CB ARG A 79 -16.143 14.200 -0.355 1.00 0.00 C ATOM 1250 CG ARG A 79 -17.048 15.415 -0.083 1.00 0.00 C ATOM 1251 CD ARG A 79 -18.456 15.002 0.379 1.00 0.00 C ATOM 1252 NE ARG A 79 -19.323 16.158 0.656 1.00 0.00 N ATOM 1253 CZ ARG A 79 -19.930 16.951 -0.242 1.00 0.00 C ATOM 1254 NH1 ARG A 79 -19.763 16.775 -1.557 1.00 0.00 N ATOM 1255 NH2 ARG A 79 -20.718 17.935 0.199 1.00 0.00 N ATOM 0 H ARG A 79 -14.308 14.949 1.191 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.623 13.206 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.248 14.534 -0.880 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -16.664 13.511 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.588 16.045 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.127 16.016 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -18.919 14.381 -0.388 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.375 14.390 1.277 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.480 16.382 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.163 16.024 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.236 17.391 -2.218 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -20.849 18.073 1.201 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.188 18.549 -0.466 1.00 0.00 H new ATOM 1269 N HIS A 80 -15.807 11.150 0.113 1.00 0.00 N ATOM 1270 CA HIS A 80 -15.304 9.915 -0.477 1.00 0.00 C ATOM 1271 C HIS A 80 -14.558 10.210 -1.793 1.00 0.00 C ATOM 1272 O HIS A 80 -14.766 11.265 -2.397 1.00 0.00 O ATOM 1273 CB HIS A 80 -16.472 8.946 -0.703 1.00 0.00 C ATOM 1274 CG HIS A 80 -16.438 7.704 0.151 1.00 0.00 C ATOM 1275 ND1 HIS A 80 -16.621 7.622 1.513 1.00 0.00 N ATOM 1276 CD2 HIS A 80 -16.290 6.427 -0.318 1.00 0.00 C ATOM 1277 CE1 HIS A 80 -16.581 6.321 1.848 1.00 0.00 C ATOM 1278 NE2 HIS A 80 -16.391 5.552 0.764 1.00 0.00 N ATOM 0 H HIS A 80 -16.825 11.200 0.138 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.592 9.450 0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -17.406 9.475 -0.513 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.481 8.649 -1.752 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -16.761 8.405 2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.124 6.145 -1.347 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.687 5.945 2.855 1.00 0.00 H new ATOM 1286 N PRO A 81 -13.709 9.278 -2.268 1.00 0.00 N ATOM 1287 CA PRO A 81 -12.815 9.508 -3.393 1.00 0.00 C ATOM 1288 C PRO A 81 -13.477 9.285 -4.761 1.00 0.00 C ATOM 1289 O PRO A 81 -12.830 9.562 -5.771 1.00 0.00 O ATOM 1290 CB PRO A 81 -11.665 8.520 -3.167 1.00 0.00 C ATOM 1291 CG PRO A 81 -12.371 7.314 -2.550 1.00 0.00 C ATOM 1292 CD PRO A 81 -13.476 7.954 -1.710 1.00 0.00 C ATOM 0 HA PRO A 81 -12.491 10.548 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.164 8.262 -4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.906 8.929 -2.500 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -12.777 6.650 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.693 6.719 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.385 7.354 -1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.177 8.022 -0.664 1.00 0.00 H new ATOM 1300 N TYR A 82 -14.726 8.784 -4.822 1.00 0.00 N ATOM 1301 CA TYR A 82 -15.391 8.510 -6.093 1.00 0.00 C ATOM 1302 C TYR A 82 -16.886 8.810 -5.997 1.00 0.00 C ATOM 1303 O TYR A 82 -17.413 9.626 -6.751 1.00 0.00 O ATOM 1304 CB TYR A 82 -15.101 7.060 -6.524 1.00 0.00 C ATOM 1305 CG TYR A 82 -15.265 6.822 -8.012 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -16.531 6.531 -8.556 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -14.139 6.895 -8.856 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -16.672 6.310 -9.938 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -14.270 6.672 -10.238 1.00 0.00 C ATOM 1310 CZ TYR A 82 -15.541 6.380 -10.785 1.00 0.00 C ATOM 1311 OH TYR A 82 -15.679 6.160 -12.124 1.00 0.00 O ATOM 0 H TYR A 82 -15.288 8.563 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.995 9.169 -6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -14.083 6.801 -6.234 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -15.768 6.389 -5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.395 6.477 -7.911 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.169 7.124 -8.439 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -17.644 6.087 -10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.403 6.724 -10.880 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.806 6.247 -12.561 1.00 0.00 H new ATOM 1321 N LYS A 83 -17.559 8.157 -5.046 1.00 0.00 N ATOM 1322 CA LYS A 83 -18.933 8.434 -4.646 1.00 0.00 C ATOM 1323 C LYS A 83 -18.985 9.731 -3.817 1.00 0.00 C ATOM 1324 O LYS A 83 -17.990 10.084 -3.187 1.00 0.00 O ATOM 1325 CB LYS A 83 -19.490 7.205 -3.894 1.00 0.00 C ATOM 1326 CG LYS A 83 -18.631 6.700 -2.716 1.00 0.00 C ATOM 1327 CD LYS A 83 -18.726 5.181 -2.512 1.00 0.00 C ATOM 1328 CE LYS A 83 -20.168 4.733 -2.299 1.00 0.00 C ATOM 1329 NZ LYS A 83 -20.256 3.286 -2.014 1.00 0.00 N ATOM 0 H LYS A 83 -17.142 7.392 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.568 8.600 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.483 7.451 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.612 6.390 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.590 6.973 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -18.945 7.204 -1.802 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.310 4.670 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.123 4.890 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.605 5.294 -1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -20.756 4.965 -3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.252 3.019 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.862 2.750 -2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.716 3.068 -1.152 1.00 0.00 H new ATOM 1343 N PRO A 84 -20.133 10.436 -3.764 1.00 0.00 N ATOM 1344 CA PRO A 84 -20.276 11.723 -3.072 1.00 0.00 C ATOM 1345 C PRO A 84 -20.401 11.590 -1.539 1.00 0.00 C ATOM 1346 O PRO A 84 -20.903 12.507 -0.890 1.00 0.00 O ATOM 1347 CB PRO A 84 -21.520 12.359 -3.710 1.00 0.00 C ATOM 1348 CG PRO A 84 -22.393 11.150 -4.027 1.00 0.00 C ATOM 1349 CD PRO A 84 -21.361 10.121 -4.483 1.00 0.00 C ATOM 0 HA PRO A 84 -19.385 12.339 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -22.017 13.049 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -21.270 12.924 -4.608 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -22.950 10.809 -3.154 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -23.123 11.368 -4.806 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -21.695 9.108 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -21.207 10.175 -5.561 1.00 0.00 H new ATOM 1357 N LYS A 85 -19.985 10.452 -0.960 1.00 0.00 N ATOM 1358 CA LYS A 85 -20.116 10.114 0.458 1.00 0.00 C ATOM 1359 C LYS A 85 -19.058 10.860 1.293 1.00 0.00 C ATOM 1360 O LYS A 85 -18.489 11.838 0.814 1.00 0.00 O ATOM 1361 CB LYS A 85 -20.080 8.579 0.605 1.00 0.00 C ATOM 1362 CG LYS A 85 -21.213 7.861 -0.157 1.00 0.00 C ATOM 1363 CD LYS A 85 -22.610 8.059 0.460 1.00 0.00 C ATOM 1364 CE LYS A 85 -23.059 6.784 1.179 1.00 0.00 C ATOM 1365 NZ LYS A 85 -24.185 7.037 2.107 1.00 0.00 N ATOM 0 H LYS A 85 -19.529 9.713 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 85 -21.074 10.449 0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.120 8.210 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -20.144 8.322 1.662 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -21.228 8.220 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.992 6.794 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -22.590 8.893 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -23.326 8.316 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -23.357 6.038 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -22.219 6.366 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -24.643 6.136 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -23.827 7.488 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -24.877 7.665 1.650 1.00 0.00 H new ATOM 1379 N LEU A 86 -18.810 10.446 2.546 1.00 0.00 N ATOM 1380 CA LEU A 86 -17.889 11.111 3.477 1.00 0.00 C ATOM 1381 C LEU A 86 -16.873 10.117 4.028 1.00 0.00 C ATOM 1382 O LEU A 86 -17.110 8.909 4.026 1.00 0.00 O ATOM 1383 CB LEU A 86 -18.658 11.741 4.652 1.00 0.00 C ATOM 1384 CG LEU A 86 -19.569 12.922 4.265 1.00 0.00 C ATOM 1385 CD1 LEU A 86 -20.756 12.992 5.235 1.00 0.00 C ATOM 1386 CD2 LEU A 86 -18.830 14.264 4.240 1.00 0.00 C ATOM 0 H LEU A 86 -19.255 9.621 2.947 1.00 0.00 H new ATOM 0 HA LEU A 86 -17.371 11.894 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -19.266 10.970 5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -17.940 12.083 5.397 1.00 0.00 H new ATOM 0 HG LEU A 86 -19.920 12.740 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -21.401 13.827 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -21.324 12.063 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -20.388 13.135 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -19.524 15.057 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -18.420 14.472 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -18.019 14.219 3.513 1.00 0.00 H new ATOM 1398 N GLN A 87 -15.763 10.656 4.538 1.00 0.00 N ATOM 1399 CA GLN A 87 -14.696 9.940 5.222 1.00 0.00 C ATOM 1400 C GLN A 87 -14.396 10.551 6.595 1.00 0.00 C ATOM 1401 O GLN A 87 -13.979 9.807 7.481 1.00 0.00 O ATOM 1402 CB GLN A 87 -13.434 9.936 4.345 1.00 0.00 C ATOM 1403 CG GLN A 87 -13.668 9.142 3.053 1.00 0.00 C ATOM 1404 CD GLN A 87 -12.369 8.781 2.336 1.00 0.00 C ATOM 1405 OE1 GLN A 87 -12.073 9.306 1.268 1.00 0.00 O ATOM 1406 NE2 GLN A 87 -11.591 7.856 2.897 1.00 0.00 N ATOM 0 H GLN A 87 -15.580 11.658 4.479 1.00 0.00 H new ATOM 0 HA GLN A 87 -15.024 8.914 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.152 10.960 4.101 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.603 9.500 4.899 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.214 8.228 3.288 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.298 9.726 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.860 7.435 3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.727 7.569 2.437 1.00 0.00 H new ATOM 1415 N HIS A 88 -14.626 11.862 6.787 1.00 0.00 N ATOM 1416 CA HIS A 88 -14.382 12.562 8.051 1.00 0.00 C ATOM 1417 C HIS A 88 -14.955 13.966 8.012 1.00 0.00 C ATOM 1418 O HIS A 88 -15.189 14.509 6.935 1.00 0.00 O ATOM 1419 CB HIS A 88 -12.887 12.634 8.370 1.00 0.00 C ATOM 1420 CG HIS A 88 -12.595 13.252 9.712 1.00 0.00 C ATOM 1421 ND1 HIS A 88 -12.023 14.480 9.941 1.00 0.00 N ATOM 1422 CD2 HIS A 88 -12.856 12.684 10.928 1.00 0.00 C ATOM 1423 CE1 HIS A 88 -11.908 14.618 11.273 1.00 0.00 C ATOM 1424 NE2 HIS A 88 -12.417 13.559 11.918 1.00 0.00 N ATOM 0 H HIS A 88 -14.992 12.470 6.054 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.881 11.992 8.835 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -12.467 11.628 8.341 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -12.384 13.211 7.594 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -13.322 11.724 11.092 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.463 15.472 11.761 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -12.472 13.422 12.927 1.00 0.00 H new ATOM 1432 N ILE A 89 -15.212 14.527 9.202 1.00 0.00 N ATOM 1433 CA ILE A 89 -15.774 15.850 9.386 1.00 0.00 C ATOM 1434 C ILE A 89 -15.169 16.480 10.642 1.00 0.00 C ATOM 1435 O ILE A 89 -14.918 15.808 11.641 1.00 0.00 O ATOM 1436 CB ILE A 89 -17.319 15.782 9.428 1.00 0.00 C ATOM 1437 CG1 ILE A 89 -17.849 15.154 8.120 1.00 0.00 C ATOM 1438 CG2 ILE A 89 -17.899 17.191 9.633 1.00 0.00 C ATOM 1439 CD1 ILE A 89 -19.347 14.986 8.045 1.00 0.00 C ATOM 0 H ILE A 89 -15.025 14.048 10.083 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.521 16.489 8.540 1.00 0.00 H new ATOM 0 HB ILE A 89 -17.633 15.157 10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -17.527 15.773 7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -17.384 14.177 7.991 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -18.987 17.136 9.662 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -17.532 17.602 10.573 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -17.590 17.835 8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.615 14.538 7.088 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -19.682 14.339 8.856 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.827 15.960 8.136 1.00 0.00 H new ATOM 1451 N ASP A 90 -14.999 17.798 10.580 1.00 0.00 N ATOM 1452 CA ASP A 90 -14.460 18.654 11.615 1.00 0.00 C ATOM 1453 C ASP A 90 -15.476 19.766 11.828 1.00 0.00 C ATOM 1454 O ASP A 90 -15.883 20.409 10.857 1.00 0.00 O ATOM 1455 CB ASP A 90 -13.131 19.267 11.155 1.00 0.00 C ATOM 1456 CG ASP A 90 -12.033 18.230 10.929 1.00 0.00 C ATOM 1457 OD1 ASP A 90 -12.169 17.389 10.015 1.00 0.00 O ATOM 1458 OD2 ASP A 90 -11.044 18.276 11.684 1.00 0.00 O ATOM 0 H ASP A 90 -15.254 18.325 9.745 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.278 18.090 12.530 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.295 19.820 10.230 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.793 19.987 11.901 1.00 0.00 H new ATOM 1463 N PHE A 91 -15.866 20.008 13.082 1.00 0.00 N ATOM 1464 CA PHE A 91 -16.670 21.144 13.485 1.00 0.00 C ATOM 1465 C PHE A 91 -15.816 21.959 14.464 1.00 0.00 C ATOM 1466 O PHE A 91 -15.014 21.373 15.191 1.00 0.00 O ATOM 1467 CB PHE A 91 -17.969 20.644 14.134 1.00 0.00 C ATOM 1468 CG PHE A 91 -18.607 19.348 13.656 1.00 0.00 C ATOM 1469 CD1 PHE A 91 -18.189 18.119 14.194 1.00 0.00 C ATOM 1470 CD2 PHE A 91 -19.730 19.374 12.809 1.00 0.00 C ATOM 1471 CE1 PHE A 91 -18.857 16.928 13.876 1.00 0.00 C ATOM 1472 CE2 PHE A 91 -20.434 18.185 12.539 1.00 0.00 C ATOM 1473 CZ PHE A 91 -19.993 16.959 13.062 1.00 0.00 C ATOM 0 H PHE A 91 -15.620 19.396 13.860 1.00 0.00 H new ATOM 0 HA PHE A 91 -16.957 21.769 12.639 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -17.778 20.537 15.202 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -18.713 21.433 14.021 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -17.341 18.091 14.862 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -20.052 20.305 12.366 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -18.494 15.986 14.260 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -21.321 18.216 11.924 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.527 16.048 12.837 1.00 0.00 H new ATOM 1483 N VAL A 92 -15.983 23.287 14.523 1.00 0.00 N ATOM 1484 CA VAL A 92 -15.284 24.116 15.505 1.00 0.00 C ATOM 1485 C VAL A 92 -16.247 24.426 16.642 1.00 0.00 C ATOM 1486 O VAL A 92 -17.451 24.480 16.405 1.00 0.00 O ATOM 1487 CB VAL A 92 -14.655 25.387 14.892 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -14.114 25.149 13.481 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -15.584 26.606 14.843 1.00 0.00 C ATOM 0 H VAL A 92 -16.599 23.808 13.899 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.432 23.559 15.894 1.00 0.00 H new ATOM 0 HB VAL A 92 -13.841 25.613 15.580 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.683 26.073 13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.347 24.376 13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -14.927 24.829 12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -15.055 27.449 14.397 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -16.462 26.370 14.242 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -15.895 26.867 15.854 1.00 0.00 H new ATOM 1499 N ARG A 93 -15.724 24.668 17.847 1.00 0.00 N ATOM 1500 CA ARG A 93 -16.486 25.003 19.046 1.00 0.00 C ATOM 1501 C ARG A 93 -17.256 26.316 18.858 1.00 0.00 C ATOM 1502 O ARG A 93 -16.728 27.396 19.121 1.00 0.00 O ATOM 1503 CB ARG A 93 -15.531 25.068 20.253 1.00 0.00 C ATOM 1504 CG ARG A 93 -15.134 23.679 20.777 1.00 0.00 C ATOM 1505 CD ARG A 93 -16.212 23.119 21.719 1.00 0.00 C ATOM 1506 NE ARG A 93 -15.893 21.762 22.194 1.00 0.00 N ATOM 1507 CZ ARG A 93 -14.923 21.406 23.055 1.00 0.00 C ATOM 1508 NH1 ARG A 93 -14.117 22.312 23.620 1.00 0.00 N ATOM 1509 NH2 ARG A 93 -14.757 20.115 23.351 1.00 0.00 N ATOM 0 H ARG A 93 -14.719 24.634 18.017 1.00 0.00 H new ATOM 0 HA ARG A 93 -17.228 24.227 19.232 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.632 25.614 19.969 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -16.006 25.631 21.056 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -14.988 22.998 19.939 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.182 23.743 21.304 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -16.323 23.784 22.575 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -17.171 23.104 21.201 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.473 21.007 21.829 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.230 23.302 23.401 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.390 22.013 24.270 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -15.362 19.412 22.926 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.025 19.831 24.002 1.00 0.00 H new ATOM 1523 N ALA A 94 -18.502 26.198 18.388 1.00 0.00 N ATOM 1524 CA ALA A 94 -19.463 27.294 18.300 1.00 0.00 C ATOM 1525 C ALA A 94 -19.883 27.789 19.689 1.00 0.00 C ATOM 1526 O ALA A 94 -20.070 29.020 19.807 1.00 0.00 O ATOM 1527 CB ALA A 94 -20.687 26.839 17.514 1.00 0.00 C ATOM 1528 OXT ALA A 94 -20.061 26.939 20.588 1.00 0.00 O ATOM 0 H ALA A 94 -18.877 25.312 18.050 1.00 0.00 H new ATOM 0 HA ALA A 94 -18.983 28.126 17.784 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.403 27.658 17.449 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -20.385 26.541 16.510 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.150 25.992 18.020 1.00 0.00 H new