USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 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 Single : A 1 MET CE :methyl -150:sc= -0.161 (180deg=-1.55!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.4!) USER MOD Single : A 9 SER OG : rot 129:sc= 0.437 USER MOD Single : A 20 THR OG1 : rot 130:sc= -0.211 USER MOD Single : A 22 MET CE :methyl -114:sc= -5.02! (180deg=-6.43!) USER MOD Single : A 23 CYS SG : rot -21:sc= -0.769 USER MOD Single : A 24 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.045) USER MOD Single : A 31 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.2!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0.0279 USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= -0.34 (180deg=-1.52!) USER MOD Single : A 38 SER OG : rot 41:sc= 0.61 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -10:sc= 0.754 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.102 K(o=-0.1,f=-3.2!) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0435 (180deg=-0.337) USER MOD Single : A 74 THR OG1 : rot -35:sc= -0.664 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.0295 F(o=-0.65,f=-0.03) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.195 7.048 -6.320 1.00 0.00 N ATOM 2 CA MET A 1 -4.325 5.712 -5.683 1.00 0.00 C ATOM 3 C MET A 1 -4.243 5.817 -4.164 1.00 0.00 C ATOM 4 O MET A 1 -3.423 6.560 -3.627 1.00 0.00 O ATOM 5 CB MET A 1 -3.209 4.810 -6.210 1.00 0.00 C ATOM 6 CG MET A 1 -3.501 3.325 -6.052 1.00 0.00 C ATOM 7 SD MET A 1 -3.410 2.425 -7.614 1.00 0.00 S ATOM 8 CE MET A 1 -1.820 1.618 -7.448 1.00 0.00 C ATOM 0 H1 MET A 1 -4.254 6.947 -7.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.962 7.667 -5.988 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.278 7.466 -6.065 1.00 0.00 H new ATOM 0 HA MET A 1 -5.299 5.290 -5.932 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.044 5.029 -7.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.283 5.048 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.791 2.893 -5.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.495 3.198 -5.622 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.375 1.484 -8.434 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.162 2.233 -6.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.953 0.645 -6.975 1.00 0.00 H new ATOM 20 N ARG A 2 -5.098 5.066 -3.477 1.00 0.00 N ATOM 21 CA ARG A 2 -5.120 5.074 -2.019 1.00 0.00 C ATOM 22 C ARG A 2 -4.443 3.830 -1.458 1.00 0.00 C ATOM 23 O ARG A 2 -4.386 2.792 -2.116 1.00 0.00 O ATOM 24 CB ARG A 2 -6.559 5.154 -1.507 1.00 0.00 C ATOM 25 CG ARG A 2 -7.526 4.250 -2.255 1.00 0.00 C ATOM 26 CD ARG A 2 -8.354 5.029 -3.266 1.00 0.00 C ATOM 27 NE ARG A 2 -7.959 4.734 -4.641 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.265 5.505 -5.682 1.00 0.00 C ATOM 29 NH1 ARG A 2 -8.968 6.617 -5.508 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.868 5.163 -6.899 1.00 0.00 N ATOM 0 H ARG A 2 -5.784 4.445 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.571 5.952 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.574 4.891 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.906 6.185 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.969 3.466 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.189 3.758 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.409 4.789 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.244 6.097 -3.079 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.417 3.887 -4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.276 6.884 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.200 7.204 -6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.328 4.309 -7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.102 5.754 -7.697 1.00 0.00 H new ATOM 44 N ILE A 3 -3.937 3.939 -0.233 1.00 0.00 N ATOM 45 CA ILE A 3 -3.267 2.823 0.427 1.00 0.00 C ATOM 46 C ILE A 3 -4.114 1.554 0.370 1.00 0.00 C ATOM 47 O ILE A 3 -3.588 0.443 0.434 1.00 0.00 O ATOM 48 CB ILE A 3 -2.942 3.158 1.894 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.134 2.021 2.533 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.217 3.442 2.679 1.00 0.00 C ATOM 51 CD1 ILE A 3 -2.975 0.871 3.055 1.00 0.00 C ATOM 0 H ILE A 3 -3.979 4.792 0.324 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.335 2.648 -0.111 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.333 4.061 1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.429 1.635 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.546 2.427 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.963 3.676 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.738 4.289 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.863 2.564 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.324 0.112 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.662 1.239 3.817 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.544 0.434 2.234 1.00 0.00 H new ATOM 63 N ASP A 4 -5.426 1.726 0.247 1.00 0.00 N ATOM 64 CA ASP A 4 -6.337 0.591 0.179 1.00 0.00 C ATOM 65 C ASP A 4 -6.096 -0.228 -1.086 1.00 0.00 C ATOM 66 O ASP A 4 -5.770 -1.410 -1.018 1.00 0.00 O ATOM 67 CB ASP A 4 -7.789 1.070 0.222 1.00 0.00 C ATOM 68 CG ASP A 4 -8.738 -0.006 0.712 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.300 -0.872 1.498 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.920 0.019 0.309 1.00 0.00 O ATOM 0 H ASP A 4 -5.880 2.638 0.193 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.147 -0.046 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.863 1.940 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.092 1.392 -0.774 1.00 0.00 H new ATOM 75 N LYS A 5 -6.266 0.409 -2.240 1.00 0.00 N ATOM 76 CA LYS A 5 -6.074 -0.262 -3.523 1.00 0.00 C ATOM 77 C LYS A 5 -4.631 -0.142 -4.025 1.00 0.00 C ATOM 78 O LYS A 5 -4.281 -0.707 -5.061 1.00 0.00 O ATOM 79 CB LYS A 5 -7.034 0.318 -4.566 1.00 0.00 C ATOM 80 CG LYS A 5 -8.126 -0.650 -4.992 1.00 0.00 C ATOM 81 CD LYS A 5 -8.851 -0.159 -6.234 1.00 0.00 C ATOM 82 CE LYS A 5 -10.351 -0.388 -6.131 1.00 0.00 C ATOM 83 NZ LYS A 5 -11.098 0.333 -7.199 1.00 0.00 N ATOM 0 H LYS A 5 -6.537 1.390 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.286 -1.321 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.496 1.219 -4.162 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.464 0.619 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.690 -1.630 -5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.840 -0.776 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.653 0.903 -6.376 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.462 -0.676 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.561 -1.455 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.703 -0.056 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.117 0.151 -7.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.919 1.354 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.781 -0.002 -8.131 1.00 0.00 H new ATOM 97 N PHE A 6 -3.801 0.607 -3.303 1.00 0.00 N ATOM 98 CA PHE A 6 -2.412 0.806 -3.702 1.00 0.00 C ATOM 99 C PHE A 6 -1.570 -0.450 -3.489 1.00 0.00 C ATOM 100 O PHE A 6 -1.053 -1.028 -4.444 1.00 0.00 O ATOM 101 CB PHE A 6 -1.802 1.975 -2.926 1.00 0.00 C ATOM 102 CG PHE A 6 -0.393 2.300 -3.335 1.00 0.00 C ATOM 103 CD1 PHE A 6 -0.147 3.173 -4.382 1.00 0.00 C ATOM 104 CD2 PHE A 6 0.684 1.733 -2.672 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.148 3.475 -4.761 1.00 0.00 C ATOM 106 CE2 PHE A 6 1.980 2.031 -3.047 1.00 0.00 C ATOM 107 CZ PHE A 6 2.212 2.903 -4.093 1.00 0.00 C ATOM 0 H PHE A 6 -4.066 1.084 -2.441 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.410 1.032 -4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.425 2.858 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.817 1.741 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.976 3.623 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.508 1.051 -1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.327 4.158 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.811 1.583 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.224 3.137 -4.388 1.00 0.00 H new ATOM 117 N LEU A 7 -1.415 -0.852 -2.233 1.00 0.00 N ATOM 118 CA LEU A 7 -0.611 -2.024 -1.902 1.00 0.00 C ATOM 119 C LEU A 7 -1.415 -3.320 -1.982 1.00 0.00 C ATOM 120 O LEU A 7 -0.844 -4.411 -1.970 1.00 0.00 O ATOM 121 CB LEU A 7 -0.004 -1.861 -0.509 1.00 0.00 C ATOM 122 CG LEU A 7 -1.010 -1.716 0.635 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.534 -3.079 1.069 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.366 -0.993 1.810 1.00 0.00 C ATOM 0 H LEU A 7 -1.834 -0.386 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 7 0.186 -2.096 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.630 -2.724 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.643 -0.984 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.855 -1.126 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.248 -2.952 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.027 -3.564 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.703 -3.697 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.091 -0.895 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.494 -1.563 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.040 -0.002 1.493 1.00 0.00 H new ATOM 136 N GLN A 8 -2.737 -3.206 -2.063 1.00 0.00 N ATOM 137 CA GLN A 8 -3.594 -4.384 -2.143 1.00 0.00 C ATOM 138 C GLN A 8 -3.837 -4.800 -3.592 1.00 0.00 C ATOM 139 O GLN A 8 -4.237 -5.933 -3.860 1.00 0.00 O ATOM 140 CB GLN A 8 -4.928 -4.118 -1.447 1.00 0.00 C ATOM 141 CG GLN A 8 -4.781 -3.697 0.006 1.00 0.00 C ATOM 142 CD GLN A 8 -6.110 -3.635 0.732 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.507 -2.584 1.236 1.00 0.00 O ATOM 144 NE2 GLN A 8 -6.808 -4.763 0.788 1.00 0.00 N ATOM 0 H GLN A 8 -3.236 -2.316 -2.075 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.081 -5.202 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.463 -3.339 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.540 -5.019 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.123 -4.399 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.301 -2.719 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.441 -5.612 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.711 -4.781 1.262 1.00 0.00 H new ATOM 153 N SER A 9 -3.600 -3.881 -4.524 1.00 0.00 N ATOM 154 CA SER A 9 -3.802 -4.162 -5.942 1.00 0.00 C ATOM 155 C SER A 9 -2.478 -4.415 -6.663 1.00 0.00 C ATOM 156 O SER A 9 -2.466 -4.783 -7.838 1.00 0.00 O ATOM 157 CB SER A 9 -4.544 -3.004 -6.610 1.00 0.00 C ATOM 158 OG SER A 9 -5.666 -2.606 -5.844 1.00 0.00 O ATOM 0 H SER A 9 -3.269 -2.937 -4.323 1.00 0.00 H new ATOM 0 HA SER A 9 -4.402 -5.069 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.867 -2.159 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.868 -3.303 -7.607 1.00 0.00 H new ATOM 0 HG SER A 9 -5.637 -1.637 -5.701 1.00 0.00 H new ATOM 164 N VAL A 10 -1.364 -4.218 -5.962 1.00 0.00 N ATOM 165 CA VAL A 10 -0.047 -4.429 -6.553 1.00 0.00 C ATOM 166 C VAL A 10 0.456 -5.851 -6.310 1.00 0.00 C ATOM 167 O VAL A 10 1.643 -6.132 -6.472 1.00 0.00 O ATOM 168 CB VAL A 10 0.988 -3.431 -5.998 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.610 -2.007 -6.370 1.00 0.00 C ATOM 170 CG2 VAL A 10 1.122 -3.581 -4.490 1.00 0.00 C ATOM 0 H VAL A 10 -1.348 -3.914 -4.989 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.161 -4.268 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 10 1.956 -3.653 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.353 -1.317 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.574 -1.912 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.369 -1.769 -5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.857 -2.868 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.158 -3.389 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.446 -4.594 -4.253 1.00 0.00 H new ATOM 180 N GLY A 11 -0.451 -6.744 -5.921 1.00 0.00 N ATOM 181 CA GLY A 11 -0.070 -8.121 -5.667 1.00 0.00 C ATOM 182 C GLY A 11 0.730 -8.279 -4.387 1.00 0.00 C ATOM 183 O GLY A 11 1.419 -9.283 -4.201 1.00 0.00 O ATOM 0 H GLY A 11 -1.440 -6.538 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.967 -8.737 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.518 -8.492 -6.507 1.00 0.00 H new ATOM 187 N LEU A 12 0.639 -7.289 -3.503 1.00 0.00 N ATOM 188 CA LEU A 12 1.360 -7.328 -2.237 1.00 0.00 C ATOM 189 C LEU A 12 0.642 -8.226 -1.233 1.00 0.00 C ATOM 190 O LEU A 12 1.239 -9.138 -0.663 1.00 0.00 O ATOM 191 CB LEU A 12 1.510 -5.915 -1.666 1.00 0.00 C ATOM 192 CG LEU A 12 2.924 -5.547 -1.214 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.974 -4.103 -0.740 1.00 0.00 C ATOM 194 CD2 LEU A 12 3.395 -6.489 -0.117 1.00 0.00 C ATOM 0 H LEU A 12 0.073 -6.451 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 12 2.352 -7.741 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.188 -5.198 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.834 -5.809 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 12 3.596 -5.650 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.988 -3.859 -0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.680 -3.442 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.290 -3.971 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.403 -6.212 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.721 -6.419 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.399 -7.512 -0.493 1.00 0.00 H new ATOM 206 N VAL A 13 -0.644 -7.962 -1.026 1.00 0.00 N ATOM 207 CA VAL A 13 -1.443 -8.748 -0.093 1.00 0.00 C ATOM 208 C VAL A 13 -2.123 -9.915 -0.801 1.00 0.00 C ATOM 209 O VAL A 13 -2.393 -9.854 -2.001 1.00 0.00 O ATOM 210 CB VAL A 13 -2.514 -7.883 0.601 1.00 0.00 C ATOM 211 CG1 VAL A 13 -1.863 -6.755 1.385 1.00 0.00 C ATOM 212 CG2 VAL A 13 -3.504 -7.334 -0.416 1.00 0.00 C ATOM 0 H VAL A 13 -1.154 -7.211 -1.491 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.759 -9.135 0.662 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.063 -8.513 1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.634 -6.155 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.201 -7.174 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.286 -6.126 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.251 -6.727 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.974 -6.721 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.997 -8.161 -0.927 1.00 0.00 H new ATOM 337 N THR A 20 -11.441 -3.933 3.318 1.00 0.00 N ATOM 338 CA THR A 20 -10.287 -3.329 3.972 1.00 0.00 C ATOM 339 C THR A 20 -10.305 -3.606 5.473 1.00 0.00 C ATOM 340 O THR A 20 -11.259 -3.257 6.167 1.00 0.00 O ATOM 341 CB THR A 20 -10.262 -1.821 3.721 1.00 0.00 C ATOM 342 OG1 THR A 20 -9.269 -1.196 4.515 1.00 0.00 O ATOM 343 CG2 THR A 20 -11.582 -1.143 4.021 1.00 0.00 C ATOM 0 HA THR A 20 -9.387 -3.775 3.549 1.00 0.00 H new ATOM 0 HB THR A 20 -10.046 -1.709 2.658 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.713 -0.620 3.950 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.496 -0.075 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.361 -1.568 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.840 -1.297 5.069 1.00 0.00 H new ATOM 351 N ASP A 21 -9.243 -4.235 5.967 1.00 0.00 N ATOM 352 CA ASP A 21 -9.137 -4.559 7.385 1.00 0.00 C ATOM 353 C ASP A 21 -8.049 -3.725 8.056 1.00 0.00 C ATOM 354 O ASP A 21 -8.130 -3.427 9.247 1.00 0.00 O ATOM 355 CB ASP A 21 -8.838 -6.048 7.567 1.00 0.00 C ATOM 356 CG ASP A 21 -10.100 -6.879 7.699 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.086 -6.576 6.995 1.00 0.00 O ATOM 358 OD2 ASP A 21 -10.101 -7.833 8.505 1.00 0.00 O ATOM 0 H ASP A 21 -8.444 -4.530 5.406 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.091 -4.325 7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.258 -6.406 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.221 -6.186 8.455 1.00 0.00 H new ATOM 363 N MET A 22 -7.032 -3.354 7.284 1.00 0.00 N ATOM 364 CA MET A 22 -5.926 -2.555 7.804 1.00 0.00 C ATOM 365 C MET A 22 -6.434 -1.268 8.449 1.00 0.00 C ATOM 366 O MET A 22 -5.973 -0.876 9.520 1.00 0.00 O ATOM 367 CB MET A 22 -4.941 -2.222 6.682 1.00 0.00 C ATOM 368 CG MET A 22 -3.827 -3.246 6.528 1.00 0.00 C ATOM 369 SD MET A 22 -3.535 -3.708 4.810 1.00 0.00 S ATOM 370 CE MET A 22 -3.427 -2.094 4.040 1.00 0.00 C ATOM 0 H MET A 22 -6.950 -3.594 6.296 1.00 0.00 H new ATOM 0 HA MET A 22 -5.415 -3.142 8.567 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.486 -2.146 5.741 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.500 -1.244 6.875 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.908 -2.842 6.952 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.078 -4.138 7.102 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.267 -1.959 3.358 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.456 -1.322 4.809 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.493 -2.018 3.484 1.00 0.00 H new ATOM 380 N CYS A 23 -7.385 -0.615 7.790 1.00 0.00 N ATOM 381 CA CYS A 23 -7.954 0.627 8.300 1.00 0.00 C ATOM 382 C CYS A 23 -8.691 0.392 9.618 1.00 0.00 C ATOM 383 O CYS A 23 -8.902 1.324 10.395 1.00 0.00 O ATOM 384 CB CYS A 23 -8.908 1.237 7.269 1.00 0.00 C ATOM 385 SG CYS A 23 -9.750 2.736 7.829 1.00 0.00 S ATOM 0 H CYS A 23 -7.778 -0.925 6.901 1.00 0.00 H new ATOM 0 HA CYS A 23 -7.135 1.322 8.484 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.347 1.467 6.363 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.657 0.493 7.000 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.732 2.784 9.128 1.00 0.00 H new ATOM 391 N ASN A 24 -9.082 -0.855 9.865 1.00 0.00 N ATOM 392 CA ASN A 24 -9.796 -1.201 11.089 1.00 0.00 C ATOM 393 C ASN A 24 -8.826 -1.638 12.183 1.00 0.00 C ATOM 394 O ASN A 24 -8.950 -1.222 13.335 1.00 0.00 O ATOM 395 CB ASN A 24 -10.810 -2.313 10.813 1.00 0.00 C ATOM 396 CG ASN A 24 -12.232 -1.792 10.732 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.948 -2.055 9.765 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.648 -1.047 11.750 1.00 0.00 N ATOM 0 H ASN A 24 -8.917 -1.640 9.235 1.00 0.00 H new ATOM 0 HA ASN A 24 -10.325 -0.313 11.435 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.554 -2.810 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.745 -3.064 11.601 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.595 -0.668 11.751 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -12.021 -0.854 12.531 1.00 0.00 H new ATOM 405 N VAL A 25 -7.865 -2.479 11.817 1.00 0.00 N ATOM 406 CA VAL A 25 -6.879 -2.973 12.769 1.00 0.00 C ATOM 407 C VAL A 25 -5.909 -1.869 13.181 1.00 0.00 C ATOM 408 O VAL A 25 -5.407 -1.858 14.304 1.00 0.00 O ATOM 409 CB VAL A 25 -6.080 -4.156 12.188 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.010 -5.307 11.837 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.281 -3.719 10.968 1.00 0.00 C ATOM 0 H VAL A 25 -7.748 -2.833 10.867 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.429 -3.313 13.646 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.379 -4.501 12.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.428 -6.133 11.428 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.532 -5.640 12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.737 -4.974 11.097 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.725 -4.569 10.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.961 -3.344 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.585 -2.930 11.253 1.00 0.00 H new ATOM 421 N GLY A 26 -5.650 -0.944 12.263 1.00 0.00 N ATOM 422 CA GLY A 26 -4.740 0.150 12.550 1.00 0.00 C ATOM 423 C GLY A 26 -3.379 -0.049 11.913 1.00 0.00 C ATOM 424 O GLY A 26 -2.352 0.035 12.587 1.00 0.00 O ATOM 0 H GLY A 26 -6.053 -0.932 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.173 1.083 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.622 0.248 13.629 1.00 0.00 H new ATOM 428 N ALA A 27 -3.371 -0.317 10.612 1.00 0.00 N ATOM 429 CA ALA A 27 -2.128 -0.531 9.881 1.00 0.00 C ATOM 430 C ALA A 27 -1.906 0.560 8.840 1.00 0.00 C ATOM 431 O ALA A 27 -0.776 0.988 8.606 1.00 0.00 O ATOM 432 CB ALA A 27 -2.141 -1.900 9.218 1.00 0.00 C ATOM 0 H ALA A 27 -4.213 -0.391 10.041 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.303 -0.488 10.593 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.208 -2.050 8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.245 -2.672 9.980 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.979 -1.960 8.524 1.00 0.00 H new ATOM 438 N VAL A 28 -2.992 1.003 8.214 1.00 0.00 N ATOM 439 CA VAL A 28 -2.922 2.038 7.199 1.00 0.00 C ATOM 440 C VAL A 28 -2.373 3.342 7.769 1.00 0.00 C ATOM 441 O VAL A 28 -2.990 3.959 8.638 1.00 0.00 O ATOM 442 CB VAL A 28 -4.309 2.296 6.586 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.823 1.051 5.879 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.290 2.754 7.656 1.00 0.00 C ATOM 0 H VAL A 28 -3.934 0.656 8.396 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.244 1.682 6.424 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.215 3.092 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.805 1.254 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.132 0.773 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.901 0.232 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.266 2.932 7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.380 1.983 8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.928 3.676 8.111 1.00 0.00 H new ATOM 454 N TRP A 29 -1.212 3.755 7.273 1.00 0.00 N ATOM 455 CA TRP A 29 -0.579 4.986 7.729 1.00 0.00 C ATOM 456 C TRP A 29 0.115 5.694 6.570 1.00 0.00 C ATOM 457 O TRP A 29 1.136 5.227 6.066 1.00 0.00 O ATOM 458 CB TRP A 29 0.430 4.689 8.838 1.00 0.00 C ATOM 459 CG TRP A 29 -0.193 4.581 10.197 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.078 3.632 10.621 1.00 0.00 C ATOM 461 CD2 TRP A 29 0.020 5.457 11.312 1.00 0.00 C ATOM 462 NE1 TRP A 29 -1.426 3.863 11.930 1.00 0.00 N ATOM 463 CE2 TRP A 29 -0.766 4.978 12.376 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.801 6.599 11.512 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -0.794 5.601 13.621 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.773 7.216 12.749 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.020 6.716 13.789 1.00 0.00 C ATOM 0 H TRP A 29 -0.690 3.254 6.554 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.355 5.641 8.125 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.947 3.757 8.609 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.184 5.476 8.854 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.450 2.819 10.016 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.071 3.296 12.481 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.415 6.992 10.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.405 5.218 14.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.373 8.098 12.916 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.020 7.221 14.744 1.00 0.00 H new ATOM 478 N LEU A 30 -0.450 6.820 6.150 1.00 0.00 N ATOM 479 CA LEU A 30 0.110 7.592 5.046 1.00 0.00 C ATOM 480 C LEU A 30 1.030 8.695 5.559 1.00 0.00 C ATOM 481 O LEU A 30 0.631 9.515 6.386 1.00 0.00 O ATOM 482 CB LEU A 30 -1.013 8.201 4.204 1.00 0.00 C ATOM 483 CG LEU A 30 -0.676 8.405 2.727 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.874 8.972 1.980 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.531 9.319 2.578 1.00 0.00 C ATOM 0 H LEU A 30 -1.296 7.219 6.557 1.00 0.00 H new ATOM 0 HA LEU A 30 0.698 6.915 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.890 7.558 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.288 9.164 4.635 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.429 7.437 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.616 9.111 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.713 8.280 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.153 9.932 2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.757 9.454 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.312 10.287 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.390 8.872 3.079 1.00 0.00 H new ATOM 497 N ASN A 31 2.262 8.710 5.059 1.00 0.00 N ATOM 498 CA ASN A 31 3.240 9.715 5.461 1.00 0.00 C ATOM 499 C ASN A 31 3.429 9.721 6.977 1.00 0.00 C ATOM 500 O ASN A 31 3.457 10.780 7.606 1.00 0.00 O ATOM 501 CB ASN A 31 2.803 11.101 4.980 1.00 0.00 C ATOM 502 CG ASN A 31 3.938 11.877 4.341 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.821 11.298 3.706 1.00 0.00 O ATOM 504 ND2 ASN A 31 3.919 13.194 4.504 1.00 0.00 N ATOM 0 H ASN A 31 2.607 8.037 4.374 1.00 0.00 H new ATOM 0 HA ASN A 31 4.194 9.462 4.999 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.991 10.993 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.409 11.668 5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.656 13.769 4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.168 13.631 5.038 1.00 0.00 H new ATOM 511 N GLY A 32 3.557 8.533 7.557 1.00 0.00 N ATOM 512 CA GLY A 32 3.741 8.426 8.993 1.00 0.00 C ATOM 513 C GLY A 32 2.568 8.990 9.769 1.00 0.00 C ATOM 514 O GLY A 32 2.729 9.457 10.898 1.00 0.00 O ATOM 0 H GLY A 32 3.537 7.643 7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.881 7.379 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.651 8.953 9.280 1.00 0.00 H new ATOM 518 N SER A 33 1.386 8.947 9.165 1.00 0.00 N ATOM 519 CA SER A 33 0.179 9.459 9.806 1.00 0.00 C ATOM 520 C SER A 33 -1.004 8.528 9.556 1.00 0.00 C ATOM 521 O SER A 33 -1.043 7.814 8.555 1.00 0.00 O ATOM 522 CB SER A 33 -0.140 10.865 9.292 1.00 0.00 C ATOM 523 OG SER A 33 -0.047 11.821 10.334 1.00 0.00 O ATOM 0 H SER A 33 1.237 8.563 8.232 1.00 0.00 H new ATOM 0 HA SER A 33 0.358 9.507 10.880 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.550 11.128 8.490 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.144 10.882 8.867 1.00 0.00 H new ATOM 0 HG SER A 33 -0.253 12.711 9.980 1.00 0.00 H new ATOM 529 N CYS A 34 -1.967 8.544 10.473 1.00 0.00 N ATOM 530 CA CYS A 34 -3.153 7.702 10.351 1.00 0.00 C ATOM 531 C CYS A 34 -3.901 8.001 9.056 1.00 0.00 C ATOM 532 O CYS A 34 -4.001 9.153 8.636 1.00 0.00 O ATOM 533 CB CYS A 34 -4.080 7.915 11.550 1.00 0.00 C ATOM 534 SG CYS A 34 -4.491 9.647 11.865 1.00 0.00 S ATOM 0 H CYS A 34 -1.950 9.130 11.308 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.829 6.661 10.331 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.002 7.358 11.386 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.608 7.497 12.439 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.280 9.725 12.895 1.00 0.00 H new ATOM 540 N ALA A 35 -4.423 6.952 8.426 1.00 0.00 N ATOM 541 CA ALA A 35 -5.161 7.102 7.178 1.00 0.00 C ATOM 542 C ALA A 35 -6.411 6.229 7.170 1.00 0.00 C ATOM 543 O ALA A 35 -6.783 5.652 8.192 1.00 0.00 O ATOM 544 CB ALA A 35 -4.270 6.759 5.994 1.00 0.00 C ATOM 0 H ALA A 35 -4.348 5.991 8.760 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.475 8.142 7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.834 6.875 5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.409 7.427 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.927 5.728 6.083 1.00 0.00 H new ATOM 550 N LYS A 36 -7.055 6.136 6.012 1.00 0.00 N ATOM 551 CA LYS A 36 -8.263 5.333 5.869 1.00 0.00 C ATOM 552 C LYS A 36 -8.118 4.331 4.727 1.00 0.00 C ATOM 553 O LYS A 36 -7.015 4.091 4.236 1.00 0.00 O ATOM 554 CB LYS A 36 -9.474 6.237 5.625 1.00 0.00 C ATOM 555 CG LYS A 36 -10.676 5.890 6.489 1.00 0.00 C ATOM 556 CD LYS A 36 -11.827 6.856 6.260 1.00 0.00 C ATOM 557 CE LYS A 36 -12.591 7.128 7.545 1.00 0.00 C ATOM 558 NZ LYS A 36 -11.687 7.534 8.655 1.00 0.00 N ATOM 0 H LYS A 36 -6.760 6.608 5.157 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.415 4.778 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.188 7.272 5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.760 6.171 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.003 4.874 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.387 5.910 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.442 7.794 5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.505 6.445 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.326 7.913 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.143 6.234 7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.191 8.182 9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.387 6.691 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.851 8.013 8.264 1.00 0.00 H new ATOM 572 N ALA A 37 -9.237 3.747 4.310 1.00 0.00 N ATOM 573 CA ALA A 37 -9.234 2.772 3.226 1.00 0.00 C ATOM 574 C ALA A 37 -9.593 3.423 1.894 1.00 0.00 C ATOM 575 O ALA A 37 -10.104 2.765 0.989 1.00 0.00 O ATOM 576 CB ALA A 37 -10.198 1.636 3.536 1.00 0.00 C ATOM 0 H ALA A 37 -10.158 3.933 4.707 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.225 2.368 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.186 0.915 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.894 1.143 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.205 2.035 3.653 1.00 0.00 H new ATOM 582 N SER A 38 -9.324 4.721 1.780 1.00 0.00 N ATOM 583 CA SER A 38 -9.620 5.457 0.557 1.00 0.00 C ATOM 584 C SER A 38 -8.876 6.789 0.529 1.00 0.00 C ATOM 585 O SER A 38 -9.360 7.770 -0.035 1.00 0.00 O ATOM 586 CB SER A 38 -11.124 5.700 0.435 1.00 0.00 C ATOM 587 OG SER A 38 -11.745 4.686 -0.338 1.00 0.00 O ATOM 0 H SER A 38 -8.902 5.283 2.519 1.00 0.00 H new ATOM 0 HA SER A 38 -9.285 4.856 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.572 5.730 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.302 6.672 -0.025 1.00 0.00 H new ATOM 0 HG SER A 38 -11.365 3.814 -0.100 1.00 0.00 H new ATOM 593 N LYS A 39 -7.698 6.815 1.143 1.00 0.00 N ATOM 594 CA LYS A 39 -6.890 8.027 1.187 1.00 0.00 C ATOM 595 C LYS A 39 -5.835 8.017 0.084 1.00 0.00 C ATOM 596 O LYS A 39 -4.894 7.224 0.118 1.00 0.00 O ATOM 597 CB LYS A 39 -6.218 8.165 2.556 1.00 0.00 C ATOM 598 CG LYS A 39 -6.502 9.493 3.241 1.00 0.00 C ATOM 599 CD LYS A 39 -5.233 10.116 3.801 1.00 0.00 C ATOM 600 CE LYS A 39 -5.498 10.838 5.111 1.00 0.00 C ATOM 601 NZ LYS A 39 -4.657 12.059 5.253 1.00 0.00 N ATOM 0 H LYS A 39 -7.283 6.012 1.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.547 8.881 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.555 7.353 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.141 8.050 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.962 10.179 2.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.220 9.341 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.484 9.340 3.957 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.820 10.817 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.551 11.114 5.167 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.301 10.163 5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.868 12.522 6.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.652 11.793 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.863 12.715 4.473 1.00 0.00 H new ATOM 615 N GLU A 40 -5.998 8.904 -0.894 1.00 0.00 N ATOM 616 CA GLU A 40 -5.061 8.998 -2.008 1.00 0.00 C ATOM 617 C GLU A 40 -3.645 9.266 -1.509 1.00 0.00 C ATOM 618 O GLU A 40 -3.433 10.096 -0.625 1.00 0.00 O ATOM 619 CB GLU A 40 -5.491 10.105 -2.971 1.00 0.00 C ATOM 620 CG GLU A 40 -5.587 11.476 -2.319 1.00 0.00 C ATOM 621 CD GLU A 40 -6.908 12.164 -2.600 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.140 12.551 -3.766 1.00 0.00 O ATOM 623 OE2 GLU A 40 -7.711 12.318 -1.655 1.00 0.00 O ATOM 0 H GLU A 40 -6.771 9.568 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.067 8.044 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.781 10.153 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.460 9.847 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.458 11.372 -1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.771 12.103 -2.679 1.00 0.00 H new ATOM 630 N VAL A 41 -2.678 8.556 -2.083 1.00 0.00 N ATOM 631 CA VAL A 41 -1.281 8.718 -1.698 1.00 0.00 C ATOM 632 C VAL A 41 -0.531 9.585 -2.702 1.00 0.00 C ATOM 633 O VAL A 41 -1.097 10.024 -3.703 1.00 0.00 O ATOM 634 CB VAL A 41 -0.568 7.358 -1.579 1.00 0.00 C ATOM 635 CG1 VAL A 41 -1.115 6.566 -0.401 1.00 0.00 C ATOM 636 CG2 VAL A 41 -0.706 6.566 -2.871 1.00 0.00 C ATOM 0 H VAL A 41 -2.837 7.864 -2.815 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.278 9.208 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 41 0.492 7.541 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.598 5.609 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.958 7.128 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.182 6.393 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.196 5.608 -2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.762 6.394 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.260 7.128 -3.692 1.00 0.00 H new ATOM 646 N LYS A 42 0.746 9.829 -2.429 1.00 0.00 N ATOM 647 CA LYS A 42 1.574 10.643 -3.310 1.00 0.00 C ATOM 648 C LYS A 42 2.892 9.941 -3.621 1.00 0.00 C ATOM 649 O LYS A 42 3.213 8.912 -3.028 1.00 0.00 O ATOM 650 CB LYS A 42 1.848 12.006 -2.671 1.00 0.00 C ATOM 651 CG LYS A 42 1.842 13.157 -3.664 1.00 0.00 C ATOM 652 CD LYS A 42 0.520 13.911 -3.641 1.00 0.00 C ATOM 653 CE LYS A 42 -0.298 13.643 -4.895 1.00 0.00 C ATOM 654 NZ LYS A 42 -0.987 14.871 -5.380 1.00 0.00 N ATOM 0 H LYS A 42 1.230 9.474 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 42 1.032 10.789 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.097 12.195 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.815 11.975 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.657 13.843 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.025 12.773 -4.668 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.053 13.616 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.712 14.980 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.354 13.259 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.037 12.869 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.534 14.647 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.629 15.224 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.280 15.601 -5.602 1.00 0.00 H new ATOM 668 N ALA A 43 3.651 10.504 -4.555 1.00 0.00 N ATOM 669 CA ALA A 43 4.934 9.933 -4.942 1.00 0.00 C ATOM 670 C ALA A 43 6.003 10.230 -3.896 1.00 0.00 C ATOM 671 O ALA A 43 5.932 11.236 -3.190 1.00 0.00 O ATOM 672 CB ALA A 43 5.360 10.463 -6.302 1.00 0.00 C ATOM 0 H ALA A 43 3.399 11.355 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 43 4.818 8.851 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.320 10.027 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.612 10.194 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.453 11.548 -6.257 1.00 0.00 H new ATOM 678 N GLY A 44 6.991 9.347 -3.802 1.00 0.00 N ATOM 679 CA GLY A 44 8.061 9.531 -2.840 1.00 0.00 C ATOM 680 C GLY A 44 7.550 9.612 -1.414 1.00 0.00 C ATOM 681 O GLY A 44 8.168 10.249 -0.561 1.00 0.00 O ATOM 0 H GLY A 44 7.070 8.507 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.767 8.705 -2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.608 10.443 -3.079 1.00 0.00 H new ATOM 685 N ASP A 45 6.418 8.965 -1.156 1.00 0.00 N ATOM 686 CA ASP A 45 5.823 8.967 0.175 1.00 0.00 C ATOM 687 C ASP A 45 6.104 7.654 0.898 1.00 0.00 C ATOM 688 O ASP A 45 6.597 6.697 0.301 1.00 0.00 O ATOM 689 CB ASP A 45 4.314 9.198 0.081 1.00 0.00 C ATOM 690 CG ASP A 45 3.948 10.667 0.151 1.00 0.00 C ATOM 691 OD1 ASP A 45 4.825 11.511 -0.125 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.784 10.974 0.484 1.00 0.00 O ATOM 0 H ASP A 45 5.895 8.433 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 45 6.273 9.779 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.943 8.778 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.816 8.664 0.890 1.00 0.00 H new ATOM 697 N THR A 46 5.788 7.615 2.189 1.00 0.00 N ATOM 698 CA THR A 46 6.007 6.420 2.993 1.00 0.00 C ATOM 699 C THR A 46 4.698 5.670 3.220 1.00 0.00 C ATOM 700 O THR A 46 3.621 6.265 3.224 1.00 0.00 O ATOM 701 CB THR A 46 6.634 6.791 4.337 1.00 0.00 C ATOM 702 OG1 THR A 46 7.850 7.493 4.146 1.00 0.00 O ATOM 703 CG2 THR A 46 6.928 5.591 5.211 1.00 0.00 C ATOM 0 H THR A 46 5.380 8.398 2.700 1.00 0.00 H new ATOM 0 HA THR A 46 6.690 5.767 2.449 1.00 0.00 H new ATOM 0 HB THR A 46 5.894 7.413 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.235 7.723 5.017 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.372 5.924 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.001 5.056 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.623 4.928 4.696 1.00 0.00 H new ATOM 711 N ILE A 47 4.802 4.359 3.409 1.00 0.00 N ATOM 712 CA ILE A 47 3.631 3.523 3.638 1.00 0.00 C ATOM 713 C ILE A 47 3.855 2.589 4.824 1.00 0.00 C ATOM 714 O ILE A 47 4.506 1.553 4.694 1.00 0.00 O ATOM 715 CB ILE A 47 3.292 2.684 2.390 1.00 0.00 C ATOM 716 CG1 ILE A 47 3.146 3.589 1.166 1.00 0.00 C ATOM 717 CG2 ILE A 47 2.018 1.879 2.616 1.00 0.00 C ATOM 718 CD1 ILE A 47 2.008 4.580 1.280 1.00 0.00 C ATOM 0 H ILE A 47 5.687 3.852 3.408 1.00 0.00 H new ATOM 0 HA ILE A 47 2.796 4.189 3.855 1.00 0.00 H new ATOM 0 HB ILE A 47 4.109 1.986 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.078 4.134 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.991 2.970 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.795 1.293 1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.156 1.209 3.465 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.190 2.558 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.964 5.189 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.068 4.042 1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.172 5.224 2.144 1.00 0.00 H new ATOM 730 N SER A 48 3.315 2.963 5.979 1.00 0.00 N ATOM 731 CA SER A 48 3.462 2.159 7.187 1.00 0.00 C ATOM 732 C SER A 48 2.448 1.020 7.214 1.00 0.00 C ATOM 733 O SER A 48 1.364 1.123 6.638 1.00 0.00 O ATOM 734 CB SER A 48 3.301 3.037 8.430 1.00 0.00 C ATOM 735 OG SER A 48 4.557 3.312 9.025 1.00 0.00 O ATOM 0 H SER A 48 2.772 3.817 6.104 1.00 0.00 H new ATOM 0 HA SER A 48 4.462 1.725 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.811 3.972 8.158 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.655 2.537 9.151 1.00 0.00 H new ATOM 0 HG SER A 48 4.428 3.876 9.816 1.00 0.00 H new ATOM 741 N LEU A 49 2.809 -0.066 7.890 1.00 0.00 N ATOM 742 CA LEU A 49 1.935 -1.228 7.999 1.00 0.00 C ATOM 743 C LEU A 49 2.175 -1.964 9.313 1.00 0.00 C ATOM 744 O LEU A 49 3.287 -2.413 9.589 1.00 0.00 O ATOM 745 CB LEU A 49 2.165 -2.178 6.820 1.00 0.00 C ATOM 746 CG LEU A 49 1.401 -1.820 5.541 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.350 -1.736 4.355 1.00 0.00 C ATOM 748 CD2 LEU A 49 0.301 -2.839 5.274 1.00 0.00 C ATOM 0 H LEU A 49 3.703 -0.165 8.371 1.00 0.00 H new ATOM 0 HA LEU A 49 0.902 -0.880 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.231 -2.201 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.882 -3.186 7.124 1.00 0.00 H new ATOM 0 HG LEU A 49 0.939 -0.842 5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.788 -1.481 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.101 -0.969 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.842 -2.698 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.231 -2.569 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.742 -3.829 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.396 -2.849 6.112 1.00 0.00 H new ATOM 760 N HIS A 50 1.127 -2.082 10.121 1.00 0.00 N ATOM 761 CA HIS A 50 1.230 -2.761 11.408 1.00 0.00 C ATOM 762 C HIS A 50 0.843 -4.230 11.283 1.00 0.00 C ATOM 763 O HIS A 50 -0.297 -4.557 10.949 1.00 0.00 O ATOM 764 CB HIS A 50 0.341 -2.073 12.444 1.00 0.00 C ATOM 765 CG HIS A 50 0.823 -2.244 13.851 1.00 0.00 C ATOM 766 ND1 HIS A 50 0.320 -1.522 14.913 1.00 0.00 N ATOM 767 CD2 HIS A 50 1.770 -3.061 14.371 1.00 0.00 C ATOM 768 CE1 HIS A 50 0.937 -1.887 16.023 1.00 0.00 C ATOM 769 NE2 HIS A 50 1.821 -2.819 15.721 1.00 0.00 N ATOM 0 H HIS A 50 0.198 -1.717 9.909 1.00 0.00 H new ATOM 0 HA HIS A 50 2.268 -2.706 11.736 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.285 -1.009 12.214 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.671 -2.470 12.364 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.373 -3.771 13.825 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.750 -1.490 17.010 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.442 -3.284 16.383 1.00 0.00 H new ATOM 778 N TYR A 51 1.799 -5.112 11.552 1.00 0.00 N ATOM 779 CA TYR A 51 1.561 -6.549 11.471 1.00 0.00 C ATOM 780 C TYR A 51 1.768 -7.211 12.829 1.00 0.00 C ATOM 781 O TYR A 51 2.198 -6.567 13.787 1.00 0.00 O ATOM 782 CB TYR A 51 2.489 -7.184 10.435 1.00 0.00 C ATOM 783 CG TYR A 51 1.968 -7.095 9.019 1.00 0.00 C ATOM 784 CD1 TYR A 51 1.588 -5.875 8.474 1.00 0.00 C ATOM 785 CD2 TYR A 51 1.853 -8.231 8.227 1.00 0.00 C ATOM 786 CE1 TYR A 51 1.110 -5.789 7.180 1.00 0.00 C ATOM 787 CE2 TYR A 51 1.377 -8.153 6.932 1.00 0.00 C ATOM 788 CZ TYR A 51 1.006 -6.930 6.414 1.00 0.00 C ATOM 789 OH TYR A 51 0.531 -6.848 5.125 1.00 0.00 O ATOM 0 H TYR A 51 2.747 -4.857 11.828 1.00 0.00 H new ATOM 0 HA TYR A 51 0.527 -6.704 11.164 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.463 -6.698 10.486 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.642 -8.232 10.691 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.667 -4.979 9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.140 -9.191 8.630 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.819 -4.833 6.771 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.296 -9.045 6.329 1.00 0.00 H new ATOM 0 HH TYR A 51 0.522 -7.741 4.722 1.00 0.00 H new ATOM 799 N LEU A 52 1.459 -8.501 12.906 1.00 0.00 N ATOM 800 CA LEU A 52 1.612 -9.250 14.149 1.00 0.00 C ATOM 801 C LEU A 52 3.085 -9.486 14.474 1.00 0.00 C ATOM 802 O LEU A 52 3.445 -9.712 15.629 1.00 0.00 O ATOM 803 CB LEU A 52 0.870 -10.590 14.068 1.00 0.00 C ATOM 804 CG LEU A 52 1.115 -11.406 12.794 1.00 0.00 C ATOM 805 CD1 LEU A 52 2.574 -11.826 12.696 1.00 0.00 C ATOM 806 CD2 LEU A 52 0.206 -12.625 12.765 1.00 0.00 C ATOM 0 H LEU A 52 1.102 -9.049 12.124 1.00 0.00 H new ATOM 0 HA LEU A 52 1.176 -8.653 14.950 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.157 -11.196 14.927 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.200 -10.399 14.156 1.00 0.00 H new ATOM 0 HG LEU A 52 0.883 -10.779 11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.726 -12.404 11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.207 -10.939 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.836 -12.436 13.560 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.391 -13.195 11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.410 -13.252 13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.835 -12.303 12.786 1.00 0.00 H new ATOM 818 N LYS A 53 3.932 -9.431 13.451 1.00 0.00 N ATOM 819 CA LYS A 53 5.364 -9.640 13.634 1.00 0.00 C ATOM 820 C LYS A 53 6.099 -8.310 13.774 1.00 0.00 C ATOM 821 O LYS A 53 7.174 -8.246 14.370 1.00 0.00 O ATOM 822 CB LYS A 53 5.940 -10.433 12.460 1.00 0.00 C ATOM 823 CG LYS A 53 5.865 -9.696 11.132 1.00 0.00 C ATOM 824 CD LYS A 53 5.927 -10.658 9.957 1.00 0.00 C ATOM 825 CE LYS A 53 7.343 -10.786 9.416 1.00 0.00 C ATOM 826 NZ LYS A 53 7.363 -10.909 7.933 1.00 0.00 N ATOM 0 H LYS A 53 3.652 -9.244 12.488 1.00 0.00 H new ATOM 0 HA LYS A 53 5.506 -10.209 14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.981 -10.676 12.673 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.403 -11.378 12.372 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.940 -9.122 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.686 -8.983 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.565 -11.638 10.268 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.264 -10.310 9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.926 -9.915 9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.823 -11.659 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.346 -10.994 7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.828 -11.754 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.928 -10.065 7.509 1.00 0.00 H new ATOM 840 N GLY A 54 5.513 -7.251 13.224 1.00 0.00 N ATOM 841 CA GLY A 54 6.130 -5.940 13.302 1.00 0.00 C ATOM 842 C GLY A 54 5.662 -5.009 12.202 1.00 0.00 C ATOM 843 O GLY A 54 4.556 -5.158 11.682 1.00 0.00 O ATOM 0 H GLY A 54 4.623 -7.277 12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.905 -5.494 14.271 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.213 -6.048 13.245 1.00 0.00 H new ATOM 847 N ILE A 55 6.506 -4.045 11.844 1.00 0.00 N ATOM 848 CA ILE A 55 6.174 -3.086 10.799 1.00 0.00 C ATOM 849 C ILE A 55 7.162 -3.172 9.640 1.00 0.00 C ATOM 850 O ILE A 55 8.353 -3.406 9.844 1.00 0.00 O ATOM 851 CB ILE A 55 6.162 -1.644 11.342 1.00 0.00 C ATOM 852 CG1 ILE A 55 5.302 -1.560 12.605 1.00 0.00 C ATOM 853 CG2 ILE A 55 5.655 -0.677 10.281 1.00 0.00 C ATOM 854 CD1 ILE A 55 6.061 -1.875 13.876 1.00 0.00 C ATOM 0 H ILE A 55 7.426 -3.909 12.264 1.00 0.00 H new ATOM 0 HA ILE A 55 5.176 -3.340 10.442 1.00 0.00 H new ATOM 0 HB ILE A 55 7.183 -1.361 11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.881 -0.558 12.682 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.464 -2.251 12.511 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.654 0.336 10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.306 -0.720 9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.641 -0.954 9.991 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.389 -1.796 14.730 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.459 -2.888 13.820 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.882 -1.168 13.994 1.00 0.00 H new ATOM 866 N GLU A 56 6.659 -2.978 8.425 1.00 0.00 N ATOM 867 CA GLU A 56 7.498 -3.032 7.233 1.00 0.00 C ATOM 868 C GLU A 56 7.867 -1.629 6.765 1.00 0.00 C ATOM 869 O GLU A 56 9.039 -1.327 6.540 1.00 0.00 O ATOM 870 CB GLU A 56 6.778 -3.782 6.111 1.00 0.00 C ATOM 871 CG GLU A 56 6.713 -5.286 6.328 1.00 0.00 C ATOM 872 CD GLU A 56 5.304 -5.777 6.597 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.526 -5.909 5.630 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.979 -6.031 7.776 1.00 0.00 O ATOM 0 H GLU A 56 5.675 -2.782 8.240 1.00 0.00 H new ATOM 0 HA GLU A 56 8.414 -3.565 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.764 -3.393 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.285 -3.581 5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.109 -5.794 5.448 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.354 -5.556 7.167 1.00 0.00 H new ATOM 881 N GLU A 57 6.860 -0.772 6.623 1.00 0.00 N ATOM 882 CA GLU A 57 7.078 0.600 6.183 1.00 0.00 C ATOM 883 C GLU A 57 7.679 0.637 4.781 1.00 0.00 C ATOM 884 O GLU A 57 8.886 0.473 4.608 1.00 0.00 O ATOM 885 CB GLU A 57 7.997 1.332 7.163 1.00 0.00 C ATOM 886 CG GLU A 57 7.787 2.837 7.184 1.00 0.00 C ATOM 887 CD GLU A 57 8.222 3.467 8.493 1.00 0.00 C ATOM 888 OE1 GLU A 57 9.410 3.834 8.610 1.00 0.00 O ATOM 889 OE2 GLU A 57 7.374 3.593 9.401 1.00 0.00 O ATOM 0 H GLU A 57 5.884 -1.005 6.807 1.00 0.00 H new ATOM 0 HA GLU A 57 6.111 1.102 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.834 0.937 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.034 1.122 6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.344 3.290 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.733 3.056 7.012 1.00 0.00 H new ATOM 896 N TYR A 58 6.827 0.855 3.784 1.00 0.00 N ATOM 897 CA TYR A 58 7.272 0.918 2.397 1.00 0.00 C ATOM 898 C TYR A 58 7.393 2.365 1.933 1.00 0.00 C ATOM 899 O TYR A 58 7.132 3.296 2.695 1.00 0.00 O ATOM 900 CB TYR A 58 6.303 0.158 1.487 1.00 0.00 C ATOM 901 CG TYR A 58 6.087 -1.283 1.894 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.424 -1.600 3.074 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.543 -2.325 1.097 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.224 -2.916 3.447 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.346 -3.643 1.464 1.00 0.00 C ATOM 906 CZ TYR A 58 5.687 -3.932 2.639 1.00 0.00 C ATOM 907 OH TYR A 58 5.489 -5.243 3.008 1.00 0.00 O ATOM 0 H TYR A 58 5.824 0.991 3.911 1.00 0.00 H new ATOM 0 HA TYR A 58 8.254 0.449 2.337 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.342 0.673 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.682 0.184 0.465 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.060 -0.806 3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.060 -2.102 0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.708 -3.147 4.367 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.707 -4.442 0.833 1.00 0.00 H new ATOM 0 HH TYR A 58 5.161 -5.277 3.931 1.00 0.00 H new ATOM 917 N THR A 59 7.788 2.545 0.679 1.00 0.00 N ATOM 918 CA THR A 59 7.943 3.879 0.110 1.00 0.00 C ATOM 919 C THR A 59 7.407 3.924 -1.317 1.00 0.00 C ATOM 920 O THR A 59 7.759 3.088 -2.149 1.00 0.00 O ATOM 921 CB THR A 59 9.416 4.296 0.127 1.00 0.00 C ATOM 922 OG1 THR A 59 9.902 4.360 1.456 1.00 0.00 O ATOM 923 CG2 THR A 59 9.667 5.642 -0.519 1.00 0.00 C ATOM 0 H THR A 59 8.007 1.784 0.036 1.00 0.00 H new ATOM 0 HA THR A 59 7.368 4.577 0.719 1.00 0.00 H new ATOM 0 HB THR A 59 9.939 3.533 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.845 4.626 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.731 5.875 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.348 5.611 -1.561 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.103 6.410 0.010 1.00 0.00 H new ATOM 931 N ILE A 60 6.555 4.906 -1.594 1.00 0.00 N ATOM 932 CA ILE A 60 5.975 5.059 -2.920 1.00 0.00 C ATOM 933 C ILE A 60 6.923 5.809 -3.848 1.00 0.00 C ATOM 934 O ILE A 60 7.488 6.838 -3.474 1.00 0.00 O ATOM 935 CB ILE A 60 4.630 5.809 -2.864 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.730 5.204 -1.785 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.944 5.766 -4.220 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.485 6.020 -1.509 1.00 0.00 C ATOM 0 H ILE A 60 6.252 5.606 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 60 5.805 4.055 -3.309 1.00 0.00 H new ATOM 0 HB ILE A 60 4.821 6.851 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.436 4.199 -2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.301 5.103 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.995 6.300 -4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.583 6.238 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.761 4.729 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.894 5.532 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.770 7.017 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.893 6.099 -2.420 1.00 0.00 H new ATOM 950 N LEU A 61 7.096 5.286 -5.055 1.00 0.00 N ATOM 951 CA LEU A 61 7.979 5.904 -6.037 1.00 0.00 C ATOM 952 C LEU A 61 7.196 6.797 -6.995 1.00 0.00 C ATOM 953 O LEU A 61 7.751 7.724 -7.586 1.00 0.00 O ATOM 954 CB LEU A 61 8.734 4.830 -6.823 1.00 0.00 C ATOM 955 CG LEU A 61 9.703 3.984 -5.995 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.425 2.980 -6.881 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.700 4.873 -5.270 1.00 0.00 C ATOM 0 H LEU A 61 6.636 4.435 -5.378 1.00 0.00 H new ATOM 0 HA LEU A 61 8.697 6.524 -5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.008 4.167 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.291 5.313 -7.626 1.00 0.00 H new ATOM 0 HG LEU A 61 9.130 3.433 -5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.110 2.387 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.696 2.322 -7.354 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.987 3.511 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.381 4.254 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.269 5.451 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.166 5.552 -4.605 1.00 0.00 H new ATOM 969 N GLN A 62 5.905 6.515 -7.146 1.00 0.00 N ATOM 970 CA GLN A 62 5.053 7.297 -8.036 1.00 0.00 C ATOM 971 C GLN A 62 3.594 6.868 -7.914 1.00 0.00 C ATOM 972 O GLN A 62 3.283 5.860 -7.280 1.00 0.00 O ATOM 973 CB GLN A 62 5.522 7.147 -9.484 1.00 0.00 C ATOM 974 CG GLN A 62 5.400 8.425 -10.298 1.00 0.00 C ATOM 975 CD GLN A 62 6.185 8.367 -11.594 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.609 8.282 -12.679 1.00 0.00 O ATOM 977 NE2 GLN A 62 7.508 8.413 -11.488 1.00 0.00 N ATOM 0 H GLN A 62 5.427 5.753 -6.665 1.00 0.00 H new ATOM 0 HA GLN A 62 5.128 8.344 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.562 6.821 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.940 6.362 -9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.349 8.610 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.752 9.267 -9.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 7.944 8.484 -10.568 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.088 8.378 -12.326 1.00 0.00 H new ATOM 986 N ILE A 63 2.703 7.641 -8.528 1.00 0.00 N ATOM 987 CA ILE A 63 1.276 7.345 -8.492 1.00 0.00 C ATOM 988 C ILE A 63 0.686 7.324 -9.900 1.00 0.00 C ATOM 989 O ILE A 63 0.261 8.357 -10.418 1.00 0.00 O ATOM 990 CB ILE A 63 0.510 8.377 -7.643 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.177 8.543 -6.277 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.944 7.958 -7.481 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.181 7.278 -5.449 1.00 0.00 C ATOM 0 H ILE A 63 2.946 8.479 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 63 1.167 6.360 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 63 0.535 9.337 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.205 8.876 -6.422 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.662 9.328 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.471 8.698 -6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.414 7.888 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.990 6.988 -6.986 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.670 7.470 -4.494 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.155 6.955 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.721 6.496 -5.982 1.00 0.00 H new ATOM 1005 N PRO A 64 0.647 6.143 -10.540 1.00 0.00 N ATOM 1006 CA PRO A 64 0.102 5.995 -11.893 1.00 0.00 C ATOM 1007 C PRO A 64 -1.418 6.120 -11.930 1.00 0.00 C ATOM 1008 O PRO A 64 -2.014 6.234 -13.001 1.00 0.00 O ATOM 1009 CB PRO A 64 0.533 4.583 -12.292 1.00 0.00 C ATOM 1010 CG PRO A 64 0.649 3.849 -11.002 1.00 0.00 C ATOM 1011 CD PRO A 64 1.130 4.858 -9.995 1.00 0.00 C ATOM 0 HA PRO A 64 0.463 6.774 -12.564 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.200 4.116 -12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.482 4.595 -12.829 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.311 3.428 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.349 3.018 -11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.721 4.663 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.216 4.845 -9.900 1.00 0.00 H new ATOM 1019 N ALA A 65 -2.042 6.097 -10.756 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.493 6.208 -10.660 1.00 0.00 C ATOM 1021 C ALA A 65 -4.179 5.052 -11.380 1.00 0.00 C ATOM 1022 O ALA A 65 -5.048 5.261 -12.227 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.959 7.541 -11.227 1.00 0.00 C ATOM 0 H ALA A 65 -1.566 6.003 -9.859 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.769 6.160 -9.607 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.044 7.610 -11.149 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.502 8.355 -10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.665 7.614 -12.274 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.784 3.829 -11.038 1.00 0.00 N ATOM 1030 CA LEU A 66 -4.361 2.639 -11.653 1.00 0.00 C ATOM 1031 C LEU A 66 -5.293 1.921 -10.681 1.00 0.00 C ATOM 1032 O LEU A 66 -5.565 2.415 -9.587 1.00 0.00 O ATOM 1033 CB LEU A 66 -3.254 1.687 -12.112 1.00 0.00 C ATOM 1034 CG LEU A 66 -2.031 2.366 -12.729 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.868 1.390 -12.820 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -2.369 2.924 -14.103 1.00 0.00 C ATOM 0 H LEU A 66 -3.067 3.637 -10.339 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.942 2.955 -12.520 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.929 1.094 -11.257 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.672 0.993 -12.841 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.735 3.194 -12.085 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.006 1.891 -13.262 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.610 1.037 -11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.153 0.542 -13.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.487 3.404 -14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.691 2.113 -14.756 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.172 3.656 -14.011 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.778 0.753 -11.089 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.677 -0.035 -10.254 1.00 0.00 C ATOM 1050 C LYS A 67 -6.030 -1.357 -9.857 1.00 0.00 C ATOM 1051 O LYS A 67 -6.118 -1.781 -8.704 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.993 -0.299 -10.991 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.716 0.969 -11.421 1.00 0.00 C ATOM 1054 CD LYS A 67 -10.072 1.100 -10.744 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.145 1.548 -11.724 1.00 0.00 C ATOM 1056 NZ LYS A 67 -10.925 2.943 -12.194 1.00 0.00 N ATOM 0 H LYS A 67 -5.564 0.331 -11.993 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.884 0.535 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.790 -0.908 -11.872 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.651 -0.881 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.103 1.837 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.848 0.964 -12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.355 0.143 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.003 1.817 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.157 0.875 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.123 1.476 -11.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.679 3.208 -12.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.939 3.590 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.003 3.007 -12.671 1.00 0.00 H new ATOM 1070 N ASN A 68 -5.379 -2.005 -10.818 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.715 -3.279 -10.570 1.00 0.00 C ATOM 1072 C ASN A 68 -3.421 -3.385 -11.370 1.00 0.00 C ATOM 1073 O ASN A 68 -3.408 -3.156 -12.580 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.645 -4.440 -10.926 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.361 -5.683 -10.104 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -5.018 -5.596 -8.925 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -5.502 -6.847 -10.725 1.00 0.00 N ATOM 0 H ASN A 68 -5.297 -1.668 -11.777 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.469 -3.331 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.679 -4.134 -10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.538 -4.676 -11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.324 -7.717 -10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.788 -6.872 -11.704 1.00 0.00 H new ATOM 1084 N VAL A 69 -2.333 -3.733 -10.688 1.00 0.00 N ATOM 1085 CA VAL A 69 -1.033 -3.869 -11.337 1.00 0.00 C ATOM 1086 C VAL A 69 -0.374 -5.197 -10.971 1.00 0.00 C ATOM 1087 O VAL A 69 0.349 -5.288 -9.978 1.00 0.00 O ATOM 1088 CB VAL A 69 -0.085 -2.716 -10.950 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.128 -2.692 -11.866 1.00 0.00 C ATOM 1090 CG2 VAL A 69 -0.816 -1.383 -10.989 1.00 0.00 C ATOM 0 H VAL A 69 -2.326 -3.926 -9.686 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.212 -3.836 -12.412 1.00 0.00 H new ATOM 0 HB VAL A 69 0.260 -2.884 -9.930 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.785 -1.872 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.667 -3.636 -11.781 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.803 -2.551 -12.897 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.129 -0.583 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.194 -1.205 -11.996 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.649 -1.404 -10.287 1.00 0.00 H new ATOM 1100 N PRO A 70 -0.617 -6.250 -11.771 1.00 0.00 N ATOM 1101 CA PRO A 70 -0.045 -7.579 -11.525 1.00 0.00 C ATOM 1102 C PRO A 70 1.462 -7.531 -11.294 1.00 0.00 C ATOM 1103 O PRO A 70 2.073 -6.462 -11.338 1.00 0.00 O ATOM 1104 CB PRO A 70 -0.364 -8.344 -12.810 1.00 0.00 C ATOM 1105 CG PRO A 70 -1.584 -7.682 -13.350 1.00 0.00 C ATOM 1106 CD PRO A 70 -1.470 -6.230 -12.975 1.00 0.00 C ATOM 0 HA PRO A 70 -0.454 -8.038 -10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.462 -8.290 -13.519 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.543 -9.400 -12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.646 -7.802 -14.432 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.487 -8.124 -12.928 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.020 -5.643 -13.776 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.446 -5.791 -12.768 1.00 0.00 H new ATOM 1114 N ARG A 71 2.055 -8.694 -11.043 1.00 0.00 N ATOM 1115 CA ARG A 71 3.490 -8.786 -10.802 1.00 0.00 C ATOM 1116 C ARG A 71 4.269 -8.704 -12.111 1.00 0.00 C ATOM 1117 O ARG A 71 4.372 -9.686 -12.847 1.00 0.00 O ATOM 1118 CB ARG A 71 3.824 -10.091 -10.077 1.00 0.00 C ATOM 1119 CG ARG A 71 5.293 -10.226 -9.715 1.00 0.00 C ATOM 1120 CD ARG A 71 5.553 -9.801 -8.279 1.00 0.00 C ATOM 1121 NE ARG A 71 5.076 -10.795 -7.321 1.00 0.00 N ATOM 1122 CZ ARG A 71 5.374 -10.778 -6.025 1.00 0.00 C ATOM 1123 NH1 ARG A 71 6.147 -9.820 -5.526 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.898 -11.719 -5.223 1.00 0.00 N ATOM 0 H ARG A 71 1.563 -9.586 -11.001 1.00 0.00 H new ATOM 0 HA ARG A 71 3.782 -7.944 -10.174 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.227 -10.155 -9.167 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.535 -10.932 -10.708 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.609 -11.260 -9.853 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.893 -9.616 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.622 -9.642 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.061 -8.847 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 71 4.479 -11.547 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.516 -9.092 -6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.372 -9.813 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.303 -12.457 -5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.127 -11.706 -4.229 1.00 0.00 H new ATOM 1138 N LYS A 72 4.816 -7.526 -12.394 1.00 0.00 N ATOM 1139 CA LYS A 72 5.587 -7.315 -13.614 1.00 0.00 C ATOM 1140 C LYS A 72 6.228 -5.930 -13.617 1.00 0.00 C ATOM 1141 O LYS A 72 7.450 -5.801 -13.664 1.00 0.00 O ATOM 1142 CB LYS A 72 4.690 -7.480 -14.843 1.00 0.00 C ATOM 1143 CG LYS A 72 5.319 -8.315 -15.947 1.00 0.00 C ATOM 1144 CD LYS A 72 6.489 -7.592 -16.593 1.00 0.00 C ATOM 1145 CE LYS A 72 6.088 -6.950 -17.912 1.00 0.00 C ATOM 1146 NZ LYS A 72 5.761 -7.967 -18.948 1.00 0.00 N ATOM 0 H LYS A 72 4.740 -6.704 -11.796 1.00 0.00 H new ATOM 0 HA LYS A 72 6.380 -8.062 -13.650 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.752 -7.943 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.445 -6.494 -15.239 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.659 -9.266 -15.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.569 -8.544 -16.704 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.865 -6.827 -15.914 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.304 -8.296 -16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.225 -6.303 -17.753 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.900 -6.316 -18.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.891 -7.554 -19.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.391 -8.788 -18.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.773 -8.272 -18.836 1.00 0.00 H new ATOM 1160 N ASP A 73 5.392 -4.897 -13.565 1.00 0.00 N ATOM 1161 CA ASP A 73 5.875 -3.522 -13.560 1.00 0.00 C ATOM 1162 C ASP A 73 5.301 -2.747 -12.378 1.00 0.00 C ATOM 1163 O ASP A 73 5.140 -1.528 -12.440 1.00 0.00 O ATOM 1164 CB ASP A 73 5.500 -2.823 -14.867 1.00 0.00 C ATOM 1165 CG ASP A 73 6.439 -3.181 -16.004 1.00 0.00 C ATOM 1166 OD1 ASP A 73 6.479 -4.369 -16.389 1.00 0.00 O ATOM 1167 OD2 ASP A 73 7.133 -2.274 -16.509 1.00 0.00 O ATOM 0 H ASP A 73 4.377 -4.987 -13.526 1.00 0.00 H new ATOM 0 HA ASP A 73 6.961 -3.547 -13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.481 -3.095 -15.142 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.512 -1.744 -14.715 1.00 0.00 H new ATOM 1172 N THR A 74 4.993 -3.463 -11.301 1.00 0.00 N ATOM 1173 CA THR A 74 4.437 -2.842 -10.103 1.00 0.00 C ATOM 1174 C THR A 74 5.518 -2.594 -9.050 1.00 0.00 C ATOM 1175 O THR A 74 5.254 -1.984 -8.014 1.00 0.00 O ATOM 1176 CB THR A 74 3.329 -3.720 -9.518 1.00 0.00 C ATOM 1177 OG1 THR A 74 2.668 -3.051 -8.459 1.00 0.00 O ATOM 1178 CG2 THR A 74 3.830 -5.044 -8.985 1.00 0.00 C ATOM 0 H THR A 74 5.119 -4.473 -11.233 1.00 0.00 H new ATOM 0 HA THR A 74 4.018 -1.878 -10.391 1.00 0.00 H new ATOM 0 HB THR A 74 2.649 -3.917 -10.347 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.313 -2.501 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.992 -5.616 -8.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.301 -5.606 -9.791 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.558 -4.866 -8.194 1.00 0.00 H new ATOM 1186 N HIS A 75 6.733 -3.070 -9.316 1.00 0.00 N ATOM 1187 CA HIS A 75 7.841 -2.893 -8.383 1.00 0.00 C ATOM 1188 C HIS A 75 8.496 -1.521 -8.547 1.00 0.00 C ATOM 1189 O HIS A 75 9.474 -1.211 -7.867 1.00 0.00 O ATOM 1190 CB HIS A 75 8.883 -3.997 -8.584 1.00 0.00 C ATOM 1191 CG HIS A 75 9.434 -4.055 -9.975 1.00 0.00 C ATOM 1192 ND1 HIS A 75 8.941 -4.625 -11.102 1.00 0.00 N flip ATOM 1193 CD2 HIS A 75 10.638 -3.485 -10.334 1.00 0.00 C flip ATOM 1194 CE1 HIS A 75 9.847 -4.390 -12.107 1.00 0.00 C flip ATOM 1195 NE2 HIS A 75 10.860 -3.700 -11.617 1.00 0.00 N flip ATOM 0 H HIS A 75 6.973 -3.579 -10.167 1.00 0.00 H new ATOM 0 HA HIS A 75 7.438 -2.956 -7.372 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.704 -3.843 -7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.432 -4.959 -8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.296 -2.947 -9.669 1.00 0.00 H new ATOM 0 HE1 HIS A 75 9.747 -4.717 -13.132 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.677 -3.386 -12.141 1.00 0.00 H new ATOM 1204 N LEU A 76 7.956 -0.703 -9.447 1.00 0.00 N ATOM 1205 CA LEU A 76 8.498 0.631 -9.686 1.00 0.00 C ATOM 1206 C LEU A 76 7.615 1.710 -9.058 1.00 0.00 C ATOM 1207 O LEU A 76 7.791 2.898 -9.325 1.00 0.00 O ATOM 1208 CB LEU A 76 8.637 0.885 -11.188 1.00 0.00 C ATOM 1209 CG LEU A 76 9.909 0.322 -11.826 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.613 -0.229 -13.212 1.00 0.00 C ATOM 1211 CD2 LEU A 76 10.989 1.392 -11.894 1.00 0.00 C ATOM 0 H LEU A 76 7.147 -0.940 -10.021 1.00 0.00 H new ATOM 0 HA LEU A 76 9.482 0.679 -9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.773 0.455 -11.695 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.606 1.960 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 76 10.274 -0.495 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.530 -0.625 -13.650 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.873 -1.026 -13.136 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.224 0.568 -13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.887 0.975 -12.350 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.633 2.230 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.222 1.739 -10.887 1.00 0.00 H new ATOM 1223 N TYR A 77 6.666 1.292 -8.224 1.00 0.00 N ATOM 1224 CA TYR A 77 5.762 2.230 -7.565 1.00 0.00 C ATOM 1225 C TYR A 77 5.899 2.160 -6.045 1.00 0.00 C ATOM 1226 O TYR A 77 5.605 3.127 -5.343 1.00 0.00 O ATOM 1227 CB TYR A 77 4.316 1.945 -7.974 1.00 0.00 C ATOM 1228 CG TYR A 77 4.050 2.170 -9.445 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.294 3.405 -10.033 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.558 1.147 -10.247 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.054 3.615 -11.377 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.316 1.349 -11.592 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.567 2.585 -12.153 1.00 0.00 C ATOM 1234 OH TYR A 77 3.327 2.790 -13.492 1.00 0.00 O ATOM 0 H TYR A 77 6.504 0.313 -7.989 1.00 0.00 H new ATOM 0 HA TYR A 77 6.034 3.237 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.072 0.913 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.650 2.581 -7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.678 4.214 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.362 0.178 -9.812 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.247 4.582 -11.818 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.932 0.544 -12.201 1.00 0.00 H new ATOM 0 HH TYR A 77 2.987 1.963 -13.894 1.00 0.00 H new ATOM 1244 N ILE A 78 6.346 1.013 -5.542 1.00 0.00 N ATOM 1245 CA ILE A 78 6.520 0.825 -4.107 1.00 0.00 C ATOM 1246 C ILE A 78 7.583 -0.230 -3.819 1.00 0.00 C ATOM 1247 O ILE A 78 7.710 -1.215 -4.547 1.00 0.00 O ATOM 1248 CB ILE A 78 5.197 0.414 -3.430 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.390 0.269 -1.919 1.00 0.00 C ATOM 1250 CG2 ILE A 78 4.672 -0.881 -4.031 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.115 -0.068 -1.178 1.00 0.00 C ATOM 0 H ILE A 78 6.594 0.201 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 78 6.843 1.781 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 78 4.460 1.198 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.129 -0.510 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.797 1.199 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.738 -1.157 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.496 -0.742 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.406 -1.674 -3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.326 -0.156 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.381 0.722 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.718 -1.013 -1.548 1.00 0.00 H new ATOM 1263 N ALA A 79 8.346 -0.017 -2.751 1.00 0.00 N ATOM 1264 CA ALA A 79 9.398 -0.949 -2.365 1.00 0.00 C ATOM 1265 C ALA A 79 9.460 -1.106 -0.848 1.00 0.00 C ATOM 1266 O ALA A 79 9.210 -0.154 -0.107 1.00 0.00 O ATOM 1267 CB ALA A 79 10.741 -0.481 -2.906 1.00 0.00 C ATOM 0 H ALA A 79 8.255 0.793 -2.138 1.00 0.00 H new ATOM 0 HA ALA A 79 9.166 -1.923 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.518 -1.186 -2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.696 -0.426 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.973 0.504 -2.502 1.00 0.00 H new ATOM 1273 N PRO A 80 9.797 -2.313 -0.361 1.00 0.00 N ATOM 1274 CA PRO A 80 9.891 -2.585 1.076 1.00 0.00 C ATOM 1275 C PRO A 80 11.122 -1.945 1.708 1.00 0.00 C ATOM 1276 O PRO A 80 12.249 -2.381 1.474 1.00 0.00 O ATOM 1277 CB PRO A 80 9.988 -4.110 1.139 1.00 0.00 C ATOM 1278 CG PRO A 80 10.609 -4.499 -0.156 1.00 0.00 C ATOM 1279 CD PRO A 80 10.112 -3.506 -1.171 1.00 0.00 C ATOM 0 HA PRO A 80 9.045 -2.174 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.596 -4.434 1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.005 -4.565 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.697 -4.477 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.327 -5.515 -0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.869 -3.290 -1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.233 -3.877 -1.698 1.00 0.00 H new ATOM 1287 N LYS A 81 10.898 -0.911 2.510 1.00 0.00 N ATOM 1288 CA LYS A 81 11.990 -0.210 3.176 1.00 0.00 C ATOM 1289 C LYS A 81 12.281 -0.829 4.540 1.00 0.00 C ATOM 1290 O LYS A 81 11.739 -0.398 5.558 1.00 0.00 O ATOM 1291 CB LYS A 81 11.647 1.275 3.336 1.00 0.00 C ATOM 1292 CG LYS A 81 12.786 2.207 2.953 1.00 0.00 C ATOM 1293 CD LYS A 81 13.656 2.547 4.153 1.00 0.00 C ATOM 1294 CE LYS A 81 13.344 3.933 4.693 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.265 3.901 5.718 1.00 0.00 N ATOM 0 H LYS A 81 9.971 -0.539 2.715 1.00 0.00 H new ATOM 0 HA LYS A 81 12.883 -0.304 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.777 1.507 2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.366 1.465 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.396 1.739 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.379 3.124 2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.501 1.806 4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.707 2.494 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.245 4.364 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.045 4.584 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.083 4.866 6.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.397 3.514 5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.560 3.301 6.514 1.00 0.00 H new