USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN :FLIP amide:sc= -1.26 F(o=-8.1!,f=-6.3) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -5.03! C(o=-6.3!,f=-6.6!) USER MOD Set 2.1: 1 37 THR OG1 : rot -178:sc= 0.327 USER MOD Set 2.2: 1 40 SER OG : rot 151:sc= 0.605 USER MOD Single : 1 7 ASN :FLIP amide:sc= -2.97! C(o=-4.4!,f=-3!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.56 K(o=-1.6,f=-9!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -1.04 F(o=-4.5!,f=-1) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.313 K(o=-0.31,f=-0.94) USER MOD Single : 1 43 ASN : amide:sc= -3.03 K(o=-3,f=-8.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.9!) USER MOD Single : 1 54 LYS NZ :NH3+ 176:sc= -1.29! (180deg=-1.31!) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 76:sc= 0.698 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -170:sc= -1.73 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.0472 USER MOD Single : 1 77 SER OG : rot 161:sc= -0.202 USER MOD Single : 1 82 ASN : amide:sc= -0.437 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 16.748 2.358 -7.287 1.00 0.00 N ATOM 29 CA PRO 1 3 16.072 3.457 -6.595 1.00 0.00 C ATOM 30 C PRO 1 3 16.002 4.716 -7.450 1.00 0.00 C ATOM 31 O PRO 1 3 16.932 5.521 -7.455 1.00 0.00 O ATOM 32 CB PRO 1 3 16.946 3.706 -5.352 1.00 0.00 C ATOM 33 CG PRO 1 3 17.966 2.614 -5.342 1.00 0.00 C ATOM 34 CD PRO 1 3 18.101 2.156 -6.763 1.00 0.00 C ATOM 0 HA PRO 1 3 15.038 3.207 -6.357 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 17.423 4.685 -5.400 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 16.346 3.688 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 18.920 2.975 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.652 1.794 -4.697 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 18.840 2.741 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 18.410 1.113 -6.826 1.00 0.00 H new ATOM 42 N VAL 1 4 14.896 4.888 -8.176 1.00 0.00 N ATOM 43 CA VAL 1 4 14.728 6.061 -9.025 1.00 0.00 C ATOM 44 C VAL 1 4 13.497 6.874 -8.630 1.00 0.00 C ATOM 45 O VAL 1 4 12.364 6.447 -8.850 1.00 0.00 O ATOM 46 CB VAL 1 4 14.616 5.673 -10.513 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.170 6.782 -11.393 1.00 0.00 C ATOM 48 CG2 VAL 1 4 15.336 4.358 -10.785 1.00 0.00 C ATOM 0 H VAL 1 4 14.112 4.235 -8.191 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.619 6.672 -8.880 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.562 5.536 -10.754 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.084 6.493 -12.440 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.605 7.699 -11.222 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.219 6.951 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.244 4.104 -11.841 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 16.390 4.460 -10.527 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 14.890 3.567 -10.182 1.00 0.00 H new ATOM 58 N CYS 1 5 13.727 8.060 -8.069 1.00 0.00 N ATOM 59 CA CYS 1 5 12.634 8.942 -7.672 1.00 0.00 C ATOM 60 C CYS 1 5 12.205 9.780 -8.867 1.00 0.00 C ATOM 61 O CYS 1 5 12.889 10.727 -9.255 1.00 0.00 O ATOM 62 CB CYS 1 5 13.060 9.844 -6.508 1.00 0.00 C ATOM 63 SG CYS 1 5 11.860 11.152 -6.083 1.00 0.00 S ATOM 0 H CYS 1 5 14.658 8.430 -7.880 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.792 8.337 -7.335 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.229 9.224 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.013 10.310 -6.757 1.00 0.00 H new ATOM 68 N GLY 1 6 11.086 9.401 -9.466 1.00 0.00 N ATOM 69 CA GLY 1 6 10.597 10.099 -10.636 1.00 0.00 C ATOM 70 C GLY 1 6 10.720 9.234 -11.871 1.00 0.00 C ATOM 71 O GLY 1 6 10.889 9.733 -12.984 1.00 0.00 O ATOM 0 H GLY 1 6 10.506 8.619 -9.161 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.555 10.381 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.160 11.022 -10.776 1.00 0.00 H new ATOM 75 N ASN 1 7 10.638 7.924 -11.659 1.00 0.00 N ATOM 76 CA ASN 1 7 10.741 6.952 -12.735 1.00 0.00 C ATOM 77 C ASN 1 7 9.576 5.969 -12.673 1.00 0.00 C ATOM 78 O ASN 1 7 9.504 5.022 -13.456 1.00 0.00 O ATOM 79 CB ASN 1 7 12.068 6.199 -12.627 1.00 0.00 C ATOM 80 CG ASN 1 7 12.394 5.416 -13.885 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.612 4.893 -13.959 1.00 0.00 O flip ATOM 82 ND2 ASN 1 7 11.561 5.284 -14.781 1.00 0.00 N flip ATOM 0 H ASN 1 7 10.499 7.510 -10.737 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.704 7.477 -13.690 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.870 6.909 -12.427 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.027 5.516 -11.778 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 10.636 5.703 -14.683 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 11.795 4.756 -15.622 1.00 0.00 H new ATOM 89 N LYS 1 8 8.666 6.205 -11.730 1.00 0.00 N ATOM 90 CA LYS 1 8 7.499 5.356 -11.545 1.00 0.00 C ATOM 91 C LYS 1 8 7.866 4.057 -10.832 1.00 0.00 C ATOM 92 O LYS 1 8 7.131 3.073 -10.907 1.00 0.00 O ATOM 93 CB LYS 1 8 6.831 5.047 -12.888 1.00 0.00 C ATOM 94 CG LYS 1 8 5.314 4.995 -12.816 1.00 0.00 C ATOM 95 CD LYS 1 8 4.677 5.523 -14.091 1.00 0.00 C ATOM 96 CE LYS 1 8 3.335 4.860 -14.359 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.453 3.742 -15.335 1.00 0.00 N ATOM 0 H LYS 1 8 8.719 6.987 -11.077 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.793 5.902 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.126 5.805 -13.614 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.202 4.091 -13.257 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.992 3.968 -12.646 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.969 5.583 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.542 6.602 -14.012 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.346 5.347 -14.933 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 2.923 4.483 -13.423 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 2.633 5.602 -14.740 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 2.517 3.317 -15.490 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.822 4.106 -16.237 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 4.103 3.021 -14.961 1.00 0.00 H new ATOM 111 N ILE 1 9 8.998 4.060 -10.132 1.00 0.00 N ATOM 112 CA ILE 1 9 9.441 2.880 -9.403 1.00 0.00 C ATOM 113 C ILE 1 9 9.559 3.185 -7.921 1.00 0.00 C ATOM 114 O ILE 1 9 10.440 3.937 -7.510 1.00 0.00 O ATOM 115 CB ILE 1 9 10.812 2.362 -9.900 1.00 0.00 C ATOM 116 CG1 ILE 1 9 11.260 3.114 -11.153 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.753 0.867 -10.164 1.00 0.00 C ATOM 118 CD1 ILE 1 9 12.583 2.635 -11.708 1.00 0.00 C ATOM 0 H ILE 1 9 9.621 4.864 -10.056 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.690 2.110 -9.579 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.548 2.545 -9.117 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.494 3.010 -11.922 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.336 4.176 -10.921 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.726 0.520 -10.513 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.490 0.345 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.000 0.661 -10.925 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.836 3.214 -12.596 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 13.361 2.765 -10.956 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 12.506 1.580 -11.973 1.00 0.00 H new ATOM 130 N LEU 1 10 8.684 2.590 -7.120 1.00 0.00 N ATOM 131 CA LEU 1 10 8.724 2.795 -5.678 1.00 0.00 C ATOM 132 C LEU 1 10 9.997 2.174 -5.123 1.00 0.00 C ATOM 133 O LEU 1 10 9.957 1.177 -4.401 1.00 0.00 O ATOM 134 CB LEU 1 10 7.495 2.176 -5.006 1.00 0.00 C ATOM 135 CG LEU 1 10 6.203 2.243 -5.823 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.999 0.954 -6.605 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.012 2.512 -4.916 1.00 0.00 C ATOM 0 H LEU 1 10 7.944 1.966 -7.441 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.716 3.865 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.711 1.131 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 7.330 2.679 -4.053 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.287 3.066 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 5.075 1.020 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.839 0.803 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.936 0.114 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.102 2.556 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.925 1.711 -4.182 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.154 3.462 -4.401 1.00 0.00 H new ATOM 149 N GLU 1 11 11.132 2.757 -5.493 1.00 0.00 N ATOM 150 CA GLU 1 11 12.425 2.253 -5.065 1.00 0.00 C ATOM 151 C GLU 1 11 13.269 3.351 -4.425 1.00 0.00 C ATOM 152 O GLU 1 11 13.815 3.156 -3.340 1.00 0.00 O ATOM 153 CB GLU 1 11 13.160 1.633 -6.254 1.00 0.00 C ATOM 154 CG GLU 1 11 14.285 0.695 -5.851 1.00 0.00 C ATOM 155 CD GLU 1 11 14.383 -0.518 -6.755 1.00 0.00 C ATOM 156 OE1 GLU 1 11 14.121 -0.378 -7.968 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.723 -1.609 -6.250 1.00 0.00 O ATOM 0 H GLU 1 11 11.179 3.582 -6.091 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.259 1.486 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.444 1.086 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 13.568 2.431 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 15.230 1.237 -5.872 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.129 0.366 -4.823 1.00 0.00 H new ATOM 164 N GLN 1 12 13.380 4.504 -5.088 1.00 0.00 N ATOM 165 CA GLN 1 12 14.170 5.610 -4.538 1.00 0.00 C ATOM 166 C GLN 1 12 13.515 6.190 -3.283 1.00 0.00 C ATOM 167 O GLN 1 12 13.118 7.355 -3.265 1.00 0.00 O ATOM 168 CB GLN 1 12 14.358 6.721 -5.574 1.00 0.00 C ATOM 169 CG GLN 1 12 15.431 7.728 -5.188 1.00 0.00 C ATOM 170 CD GLN 1 12 16.476 7.920 -6.270 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.185 8.437 -7.348 1.00 0.00 O ATOM 172 NE2 GLN 1 12 17.705 7.504 -5.985 1.00 0.00 N ATOM 0 H GLN 1 12 12.943 4.696 -5.989 1.00 0.00 H new ATOM 0 HA GLN 1 12 15.146 5.205 -4.270 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.618 6.274 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.412 7.244 -5.712 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.961 8.687 -4.970 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.920 7.397 -4.272 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 17.903 7.081 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 18.451 7.608 -6.673 1.00 0.00 H new ATOM 181 N GLY 1 13 13.413 5.370 -2.235 1.00 0.00 N ATOM 182 CA GLY 1 13 12.814 5.811 -0.981 1.00 0.00 C ATOM 183 C GLY 1 13 11.630 6.740 -1.179 1.00 0.00 C ATOM 184 O GLY 1 13 11.465 7.711 -0.440 1.00 0.00 O ATOM 0 H GLY 1 13 13.737 4.403 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 12.492 4.938 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 13.571 6.319 -0.383 1.00 0.00 H new ATOM 188 N GLU 1 14 10.811 6.448 -2.183 1.00 0.00 N ATOM 189 CA GLU 1 14 9.646 7.275 -2.476 1.00 0.00 C ATOM 190 C GLU 1 14 8.376 6.700 -1.851 1.00 0.00 C ATOM 191 O GLU 1 14 7.681 7.383 -1.099 1.00 0.00 O ATOM 192 CB GLU 1 14 9.466 7.437 -3.991 1.00 0.00 C ATOM 193 CG GLU 1 14 9.490 6.130 -4.769 1.00 0.00 C ATOM 194 CD GLU 1 14 10.386 6.196 -5.989 1.00 0.00 C ATOM 195 OE1 GLU 1 14 11.620 6.161 -5.819 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.855 6.283 -7.115 1.00 0.00 O ATOM 0 H GLU 1 14 10.931 5.649 -2.805 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.821 8.256 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.518 7.941 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 10.254 8.087 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 9.831 5.328 -4.115 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 8.476 5.878 -5.080 1.00 0.00 H new ATOM 203 N ASP 1 15 8.075 5.445 -2.170 1.00 0.00 N ATOM 204 CA ASP 1 15 6.885 4.775 -1.646 1.00 0.00 C ATOM 205 C ASP 1 15 5.618 5.279 -2.336 1.00 0.00 C ATOM 206 O ASP 1 15 4.505 4.975 -1.905 1.00 0.00 O ATOM 207 CB ASP 1 15 6.770 4.979 -0.131 1.00 0.00 C ATOM 208 CG ASP 1 15 8.096 4.798 0.581 1.00 0.00 C ATOM 209 OD1 ASP 1 15 8.462 3.639 0.868 1.00 0.00 O ATOM 210 OD2 ASP 1 15 8.769 5.815 0.853 1.00 0.00 O ATOM 0 H ASP 1 15 8.641 4.867 -2.792 1.00 0.00 H new ATOM 0 HA ASP 1 15 6.990 3.710 -1.852 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.387 5.980 0.070 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 6.045 4.273 0.273 1.00 0.00 H new ATOM 215 N CYS 1 16 5.795 6.041 -3.416 1.00 0.00 N ATOM 216 CA CYS 1 16 4.673 6.582 -4.180 1.00 0.00 C ATOM 217 C CYS 1 16 5.146 7.671 -5.129 1.00 0.00 C ATOM 218 O CYS 1 16 5.032 8.860 -4.833 1.00 0.00 O ATOM 219 CB CYS 1 16 3.582 7.133 -3.258 1.00 0.00 C ATOM 220 SG CYS 1 16 2.083 6.100 -3.170 1.00 0.00 S ATOM 0 H CYS 1 16 6.712 6.298 -3.782 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.248 5.763 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.992 7.244 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.303 8.130 -3.600 1.00 0.00 H new ATOM 225 N ASP 1 17 5.678 7.257 -6.272 1.00 0.00 N ATOM 226 CA ASP 1 17 6.168 8.202 -7.263 1.00 0.00 C ATOM 227 C ASP 1 17 5.597 7.906 -8.645 1.00 0.00 C ATOM 228 O ASP 1 17 5.136 6.798 -8.921 1.00 0.00 O ATOM 229 CB ASP 1 17 7.694 8.161 -7.319 1.00 0.00 C ATOM 230 CG ASP 1 17 8.261 9.064 -8.398 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.270 10.297 -8.198 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.688 8.537 -9.446 1.00 0.00 O ATOM 0 H ASP 1 17 5.780 6.276 -6.534 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.839 9.197 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.098 8.459 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 8.020 7.137 -7.499 1.00 0.00 H new ATOM 237 N CYS 1 18 5.651 8.909 -9.511 1.00 0.00 N ATOM 238 CA CYS 1 18 5.163 8.783 -10.876 1.00 0.00 C ATOM 239 C CYS 1 18 6.274 9.124 -11.865 1.00 0.00 C ATOM 240 O CYS 1 18 6.892 10.183 -11.770 1.00 0.00 O ATOM 241 CB CYS 1 18 3.970 9.711 -11.106 1.00 0.00 C ATOM 242 SG CYS 1 18 2.454 9.220 -10.223 1.00 0.00 S ATOM 0 H CYS 1 18 6.033 9.828 -9.288 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.845 7.752 -11.033 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 4.245 10.720 -10.798 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 3.757 9.751 -12.174 1.00 0.00 H new ATOM 247 N GLY 1 19 6.527 8.224 -12.811 1.00 0.00 N ATOM 248 CA GLY 1 19 7.567 8.457 -13.803 1.00 0.00 C ATOM 249 C GLY 1 19 7.573 9.885 -14.318 1.00 0.00 C ATOM 250 O GLY 1 19 8.632 10.458 -14.574 1.00 0.00 O ATOM 0 H GLY 1 19 6.032 7.338 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.539 8.228 -13.366 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.425 7.773 -14.640 1.00 0.00 H new ATOM 254 N SER 1 20 6.383 10.461 -14.460 1.00 0.00 N ATOM 255 CA SER 1 20 6.245 11.832 -14.936 1.00 0.00 C ATOM 256 C SER 1 20 5.168 12.572 -14.140 1.00 0.00 C ATOM 257 O SER 1 20 3.990 12.223 -14.214 1.00 0.00 O ATOM 258 CB SER 1 20 5.892 11.843 -16.424 1.00 0.00 C ATOM 259 OG SER 1 20 7.058 11.935 -17.225 1.00 0.00 O ATOM 0 H SER 1 20 5.499 9.998 -14.251 1.00 0.00 H new ATOM 0 HA SER 1 20 7.198 12.342 -14.793 1.00 0.00 H new ATOM 0 HB2 SER 1 20 5.344 10.936 -16.677 1.00 0.00 H new ATOM 0 HB3 SER 1 20 5.233 12.684 -16.638 1.00 0.00 H new ATOM 0 HG SER 1 20 6.805 11.938 -18.172 1.00 0.00 H new ATOM 265 N PRO 1 21 5.548 13.608 -13.364 1.00 0.00 N ATOM 266 CA PRO 1 21 4.595 14.382 -12.564 1.00 0.00 C ATOM 267 C PRO 1 21 3.395 14.845 -13.384 1.00 0.00 C ATOM 268 O PRO 1 21 2.313 15.076 -12.843 1.00 0.00 O ATOM 269 CB PRO 1 21 5.410 15.589 -12.071 1.00 0.00 C ATOM 270 CG PRO 1 21 6.698 15.546 -12.826 1.00 0.00 C ATOM 271 CD PRO 1 21 6.918 14.110 -13.202 1.00 0.00 C ATOM 0 HA PRO 1 21 4.176 13.786 -11.753 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 4.878 16.522 -12.257 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 5.584 15.531 -10.997 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 6.650 16.177 -13.713 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 7.520 15.918 -12.214 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 7.496 14.016 -14.122 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 7.460 13.567 -12.428 1.00 0.00 H new ATOM 279 N ALA 1 22 3.589 14.969 -14.693 1.00 0.00 N ATOM 280 CA ALA 1 22 2.520 15.392 -15.587 1.00 0.00 C ATOM 281 C ALA 1 22 1.653 14.203 -15.983 1.00 0.00 C ATOM 282 O ALA 1 22 0.454 14.346 -16.224 1.00 0.00 O ATOM 283 CB ALA 1 22 3.097 16.065 -16.823 1.00 0.00 C ATOM 0 H ALA 1 22 4.478 14.782 -15.157 1.00 0.00 H new ATOM 0 HA ALA 1 22 1.895 16.113 -15.060 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 2.285 16.375 -17.481 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 3.676 16.939 -16.525 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 3.744 15.364 -17.351 1.00 0.00 H new ATOM 289 N ASN 1 23 2.270 13.027 -16.035 1.00 0.00 N ATOM 290 CA ASN 1 23 1.561 11.803 -16.386 1.00 0.00 C ATOM 291 C ASN 1 23 1.381 10.920 -15.156 1.00 0.00 C ATOM 292 O ASN 1 23 1.195 9.708 -15.268 1.00 0.00 O ATOM 293 CB ASN 1 23 2.322 11.040 -17.472 1.00 0.00 C ATOM 294 CG ASN 1 23 2.274 11.744 -18.814 1.00 0.00 C ATOM 295 OD1 ASN 1 23 1.668 12.806 -18.950 1.00 0.00 O ATOM 296 ND2 ASN 1 23 2.916 11.152 -19.816 1.00 0.00 N ATOM 0 H ASN 1 23 3.262 12.896 -15.838 1.00 0.00 H new ATOM 0 HA ASN 1 23 0.577 12.073 -16.770 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.361 10.917 -17.166 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.900 10.040 -17.574 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 2.919 11.578 -20.743 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 3.406 10.271 -19.658 1.00 0.00 H new ATOM 303 N CYS 1 24 1.445 11.540 -13.982 1.00 0.00 N ATOM 304 CA CYS 1 24 1.299 10.826 -12.724 1.00 0.00 C ATOM 305 C CYS 1 24 -0.062 10.152 -12.636 1.00 0.00 C ATOM 306 O CYS 1 24 -1.010 10.706 -12.080 1.00 0.00 O ATOM 307 CB CYS 1 24 1.492 11.785 -11.551 1.00 0.00 C ATOM 308 SG CYS 1 24 1.483 10.978 -9.916 1.00 0.00 S ATOM 0 H CYS 1 24 1.598 12.543 -13.879 1.00 0.00 H new ATOM 0 HA CYS 1 24 2.064 10.051 -12.679 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.438 12.311 -11.679 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 0.703 12.536 -11.577 1.00 0.00 H new ATOM 313 N GLN 1 25 -0.145 8.952 -13.191 1.00 0.00 N ATOM 314 CA GLN 1 25 -1.387 8.187 -13.184 1.00 0.00 C ATOM 315 C GLN 1 25 -1.548 7.408 -11.878 1.00 0.00 C ATOM 316 O GLN 1 25 -1.892 6.227 -11.884 1.00 0.00 O ATOM 317 CB GLN 1 25 -1.426 7.232 -14.379 1.00 0.00 C ATOM 318 CG GLN 1 25 -2.288 7.735 -15.523 1.00 0.00 C ATOM 319 CD GLN 1 25 -2.328 6.771 -16.693 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -3.003 5.743 -16.642 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -1.601 7.099 -17.755 1.00 0.00 N ATOM 0 H GLN 1 25 0.634 8.484 -13.654 1.00 0.00 H new ATOM 0 HA GLN 1 25 -2.217 8.889 -13.263 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -0.410 7.073 -14.741 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -1.802 6.264 -14.049 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -3.302 7.903 -15.161 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -1.907 8.698 -15.864 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -1.056 7.961 -17.754 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -1.587 6.488 -18.572 1.00 0.00 H new ATOM 330 N ASP 1 26 -1.307 8.084 -10.759 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.436 7.467 -9.448 1.00 0.00 C ATOM 332 C ASP 1 26 -2.080 8.444 -8.474 1.00 0.00 C ATOM 333 O ASP 1 26 -1.407 9.290 -7.886 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.067 7.029 -8.927 1.00 0.00 C ATOM 335 CG ASP 1 26 0.723 6.250 -9.961 1.00 0.00 C ATOM 336 OD1 ASP 1 26 1.001 6.811 -11.042 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.064 5.080 -9.689 1.00 0.00 O ATOM 0 H ASP 1 26 -1.020 9.063 -10.737 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.071 6.585 -9.538 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.502 7.908 -8.626 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.200 6.415 -8.037 1.00 0.00 H new ATOM 342 N ARG 1 27 -3.391 8.326 -8.317 1.00 0.00 N ATOM 343 CA ARG 1 27 -4.138 9.203 -7.424 1.00 0.00 C ATOM 344 C ARG 1 27 -3.664 9.065 -5.980 1.00 0.00 C ATOM 345 O ARG 1 27 -3.902 9.949 -5.156 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.630 8.895 -7.521 1.00 0.00 C ATOM 347 CG ARG 1 27 -6.496 9.793 -6.652 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.951 9.758 -7.091 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.128 10.283 -8.443 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.272 10.217 -9.120 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -10.342 9.652 -8.575 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.347 10.720 -10.345 1.00 0.00 N ATOM 0 H ARG 1 27 -3.961 7.630 -8.797 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.960 10.232 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.946 8.995 -8.559 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.797 7.857 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.421 9.476 -5.612 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.125 10.817 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -8.317 8.732 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -8.554 10.340 -6.394 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.328 10.726 -8.894 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -10.290 9.265 -7.632 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -11.216 9.604 -9.099 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.528 11.157 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.224 10.670 -10.864 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.994 7.958 -5.675 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.494 7.721 -4.325 1.00 0.00 C ATOM 368 C CYS 1 28 -1.000 8.037 -4.228 1.00 0.00 C ATOM 369 O CYS 1 28 -0.478 8.266 -3.137 1.00 0.00 O ATOM 370 CB CYS 1 28 -2.747 6.271 -3.900 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.312 5.558 -4.512 1.00 0.00 S ATOM 0 H CYS 1 28 -2.785 7.214 -6.341 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.034 8.386 -3.651 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -1.920 5.654 -4.252 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.742 6.220 -2.811 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.316 8.043 -5.371 1.00 0.00 N ATOM 377 CA CYS 1 29 1.117 8.328 -5.403 1.00 0.00 C ATOM 378 C CYS 1 29 1.410 9.597 -6.196 1.00 0.00 C ATOM 379 O CYS 1 29 0.953 9.752 -7.328 1.00 0.00 O ATOM 380 CB CYS 1 29 1.877 7.154 -6.019 1.00 0.00 C ATOM 381 SG CYS 1 29 1.713 5.590 -5.102 1.00 0.00 S ATOM 0 H CYS 1 29 -0.730 7.854 -6.284 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.449 8.477 -4.376 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.523 7.002 -7.039 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.933 7.414 -6.084 1.00 0.00 H new ATOM 386 N ASN 1 30 2.179 10.502 -5.598 1.00 0.00 N ATOM 387 CA ASN 1 30 2.536 11.755 -6.252 1.00 0.00 C ATOM 388 C ASN 1 30 4.030 11.809 -6.568 1.00 0.00 C ATOM 389 O ASN 1 30 4.871 11.560 -5.697 1.00 0.00 O ATOM 390 CB ASN 1 30 2.144 12.943 -5.373 1.00 0.00 C ATOM 391 CG ASN 1 30 2.374 14.274 -6.061 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.103 15.164 -5.399 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 1.903 14.499 -7.176 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.567 10.390 -4.661 1.00 0.00 H new ATOM 0 HA ASN 1 30 1.987 11.809 -7.192 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.093 12.856 -5.098 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 2.719 12.912 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 1.348 13.785 -7.649 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 2.068 15.399 -7.627 1.00 0.00 H new ATOM 400 N ALA 1 31 4.349 12.138 -7.821 1.00 0.00 N ATOM 401 CA ALA 1 31 5.735 12.235 -8.268 1.00 0.00 C ATOM 402 C ALA 1 31 6.415 13.464 -7.679 1.00 0.00 C ATOM 403 O ALA 1 31 7.562 13.405 -7.238 1.00 0.00 O ATOM 404 CB ALA 1 31 5.794 12.292 -9.787 1.00 0.00 C ATOM 0 H ALA 1 31 3.661 12.342 -8.546 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.264 11.348 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 6.833 12.364 -10.108 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 5.348 11.389 -10.203 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 5.244 13.164 -10.140 1.00 0.00 H new ATOM 410 N ALA 1 32 5.694 14.580 -7.683 1.00 0.00 N ATOM 411 CA ALA 1 32 6.215 15.837 -7.157 1.00 0.00 C ATOM 412 C ALA 1 32 6.726 15.684 -5.726 1.00 0.00 C ATOM 413 O ALA 1 32 7.482 16.524 -5.238 1.00 0.00 O ATOM 414 CB ALA 1 32 5.141 16.914 -7.220 1.00 0.00 C ATOM 0 H ALA 1 32 4.743 14.640 -8.046 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.060 16.132 -7.778 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 5.539 17.849 -6.825 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 4.832 17.060 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 4.281 16.606 -6.625 1.00 0.00 H new ATOM 420 N THR 1 33 6.309 14.615 -5.055 1.00 0.00 N ATOM 421 CA THR 1 33 6.727 14.368 -3.683 1.00 0.00 C ATOM 422 C THR 1 33 7.433 13.026 -3.560 1.00 0.00 C ATOM 423 O THR 1 33 8.176 12.790 -2.608 1.00 0.00 O ATOM 424 CB THR 1 33 5.514 14.391 -2.749 1.00 0.00 C ATOM 425 OG1 THR 1 33 5.925 14.444 -1.395 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.609 13.182 -2.907 1.00 0.00 C ATOM 0 H THR 1 33 5.683 13.908 -5.440 1.00 0.00 H new ATOM 0 HA THR 1 33 7.423 15.157 -3.398 1.00 0.00 H new ATOM 0 HB THR 1 33 4.953 15.283 -3.028 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.136 14.460 -0.814 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.770 13.263 -2.216 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.234 13.139 -3.930 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.173 12.275 -2.689 1.00 0.00 H new ATOM 434 N CYS 1 34 7.173 12.134 -4.511 1.00 0.00 N ATOM 435 CA CYS 1 34 7.759 10.808 -4.479 1.00 0.00 C ATOM 436 C CYS 1 34 7.256 10.081 -3.240 1.00 0.00 C ATOM 437 O CYS 1 34 7.993 9.344 -2.591 1.00 0.00 O ATOM 438 CB CYS 1 34 9.292 10.889 -4.473 1.00 0.00 C ATOM 439 SG CYS 1 34 10.085 10.173 -5.952 1.00 0.00 S ATOM 0 H CYS 1 34 6.562 12.309 -5.309 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.463 10.258 -5.372 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.589 11.934 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.668 10.375 -3.588 1.00 0.00 H new ATOM 444 N LYS 1 35 5.988 10.316 -2.913 1.00 0.00 N ATOM 445 CA LYS 1 35 5.369 9.703 -1.740 1.00 0.00 C ATOM 446 C LYS 1 35 3.849 9.705 -1.861 1.00 0.00 C ATOM 447 O LYS 1 35 3.293 10.214 -2.834 1.00 0.00 O ATOM 448 CB LYS 1 35 5.778 10.446 -0.465 1.00 0.00 C ATOM 449 CG LYS 1 35 7.279 10.628 -0.311 1.00 0.00 C ATOM 450 CD LYS 1 35 7.632 11.223 1.042 1.00 0.00 C ATOM 451 CE LYS 1 35 7.544 12.741 1.023 1.00 0.00 C ATOM 452 NZ LYS 1 35 8.320 13.356 2.134 1.00 0.00 N ATOM 0 H LYS 1 35 5.368 10.927 -3.444 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.717 8.672 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.301 11.426 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.398 9.901 0.399 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.777 9.665 -0.427 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.651 11.277 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.958 10.828 1.802 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.641 10.919 1.322 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.917 13.114 0.069 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 6.500 13.045 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 8.234 14.391 2.086 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.948 13.020 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.321 13.087 2.049 1.00 0.00 H new ATOM 466 N LEU 1 36 3.184 9.131 -0.863 1.00 0.00 N ATOM 467 CA LEU 1 36 1.727 9.063 -0.850 1.00 0.00 C ATOM 468 C LEU 1 36 1.114 10.456 -0.957 1.00 0.00 C ATOM 469 O LEU 1 36 1.567 11.396 -0.304 1.00 0.00 O ATOM 470 CB LEU 1 36 1.240 8.378 0.429 1.00 0.00 C ATOM 471 CG LEU 1 36 1.189 6.848 0.368 1.00 0.00 C ATOM 472 CD1 LEU 1 36 2.027 6.238 1.482 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.249 6.360 0.454 1.00 0.00 C ATOM 0 H LEU 1 36 3.632 8.706 -0.051 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.409 8.479 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.893 8.672 1.251 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 0.243 8.750 0.665 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.606 6.529 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 1.977 5.151 1.421 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 3.063 6.561 1.376 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 1.642 6.565 2.448 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.267 5.271 0.409 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -0.690 6.692 1.394 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.822 6.767 -0.379 1.00 0.00 H new ATOM 485 N THR 1 37 0.080 10.580 -1.783 1.00 0.00 N ATOM 486 CA THR 1 37 -0.595 11.858 -1.974 1.00 0.00 C ATOM 487 C THR 1 37 -1.181 12.363 -0.657 1.00 0.00 C ATOM 488 O THR 1 37 -1.326 11.601 0.300 1.00 0.00 O ATOM 489 CB THR 1 37 -1.702 11.723 -3.021 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.209 10.400 -3.047 1.00 0.00 O ATOM 491 CG2 THR 1 37 -1.245 12.066 -4.422 1.00 0.00 C ATOM 0 H THR 1 37 -0.308 9.812 -2.330 1.00 0.00 H new ATOM 0 HA THR 1 37 0.140 12.582 -2.326 1.00 0.00 H new ATOM 0 HB THR 1 37 -2.471 12.435 -2.722 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.890 10.325 -3.747 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -2.078 11.950 -5.115 1.00 0.00 H new ATOM 0 HG22 THR 1 37 -0.893 13.097 -4.448 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.434 11.399 -4.714 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.530 13.659 -0.591 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.104 14.261 0.618 1.00 0.00 C ATOM 501 C PRO 1 38 -3.432 13.620 1.004 1.00 0.00 C ATOM 502 O PRO 1 38 -4.411 13.701 0.263 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.310 15.731 0.233 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.314 15.746 -1.257 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.396 14.638 -1.683 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.456 14.126 1.484 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.248 16.116 0.633 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.512 16.358 0.631 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -3.320 15.591 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.969 16.707 -1.639 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.692 14.215 -2.643 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.368 14.984 -1.791 1.00 0.00 H new ATOM 513 N GLY 1 39 -3.456 12.980 2.168 1.00 0.00 N ATOM 514 CA GLY 1 39 -4.668 12.331 2.633 1.00 0.00 C ATOM 515 C GLY 1 39 -4.778 10.897 2.153 1.00 0.00 C ATOM 516 O GLY 1 39 -5.874 10.340 2.092 1.00 0.00 O ATOM 0 H GLY 1 39 -2.658 12.899 2.798 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -4.691 12.349 3.723 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -5.534 12.895 2.286 1.00 0.00 H new ATOM 520 N SER 1 40 -3.641 10.298 1.811 1.00 0.00 N ATOM 521 CA SER 1 40 -3.618 8.921 1.333 1.00 0.00 C ATOM 522 C SER 1 40 -2.632 8.081 2.138 1.00 0.00 C ATOM 523 O SER 1 40 -1.517 8.518 2.425 1.00 0.00 O ATOM 524 CB SER 1 40 -3.249 8.879 -0.151 1.00 0.00 C ATOM 525 OG SER 1 40 -4.089 9.731 -0.910 1.00 0.00 O ATOM 0 H SER 1 40 -2.725 10.745 1.856 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.616 8.502 1.464 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.209 9.180 -0.279 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.333 7.857 -0.521 1.00 0.00 H new ATOM 0 HG SER 1 40 -3.600 10.060 -1.693 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.050 6.872 2.500 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.205 5.968 3.273 1.00 0.00 C ATOM 533 C GLN 1 41 -1.788 4.757 2.441 1.00 0.00 C ATOM 534 O GLN 1 41 -0.779 4.114 2.728 1.00 0.00 O ATOM 535 CB GLN 1 41 -2.938 5.505 4.533 1.00 0.00 C ATOM 536 CG GLN 1 41 -2.724 6.417 5.731 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.632 6.073 6.895 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -4.211 6.955 7.528 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -3.760 4.783 7.185 1.00 0.00 N ATOM 0 H GLN 1 41 -3.970 6.495 2.270 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.306 6.513 3.560 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.005 5.443 4.320 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.605 4.499 4.788 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -1.685 6.350 6.053 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -2.899 7.451 5.432 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -3.261 4.084 6.634 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.357 4.491 7.959 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.569 4.451 1.409 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.280 3.318 0.537 1.00 0.00 C ATOM 550 C CYS 1 42 -1.973 3.779 -0.883 1.00 0.00 C ATOM 551 O CYS 1 42 -1.939 4.974 -1.175 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.458 2.340 0.529 1.00 0.00 C ATOM 553 SG CYS 1 42 -4.645 2.563 -0.845 1.00 0.00 S ATOM 0 H CYS 1 42 -3.408 4.973 1.156 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.398 2.811 0.927 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.066 1.324 0.488 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -3.996 2.436 1.472 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.769 2.808 -1.755 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.480 3.061 -3.160 1.00 0.00 C ATOM 560 C ASN 1 43 -1.475 1.743 -3.918 1.00 0.00 C ATOM 561 O ASN 1 43 -1.969 1.647 -5.042 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.136 3.769 -3.318 1.00 0.00 C ATOM 563 CG ASN 1 43 0.916 3.250 -2.357 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.717 3.246 -1.142 1.00 0.00 O ATOM 565 ND2 ASN 1 43 2.046 2.808 -2.899 1.00 0.00 N ATOM 0 H ASN 1 43 -1.799 1.818 -1.511 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.253 3.712 -3.569 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 0.218 3.643 -4.341 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.272 4.838 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.791 2.447 -2.303 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 2.169 2.830 -3.911 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.927 0.724 -3.270 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.858 -0.613 -3.831 1.00 0.00 C ATOM 574 C TYR 1 44 -0.637 -1.620 -2.704 1.00 0.00 C ATOM 575 O TYR 1 44 0.177 -1.390 -1.810 1.00 0.00 O ATOM 576 CB TYR 1 44 0.251 -0.698 -4.892 1.00 0.00 C ATOM 577 CG TYR 1 44 1.577 -1.209 -4.374 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.737 -2.544 -4.033 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.664 -0.358 -4.226 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.938 -3.019 -3.557 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.874 -0.825 -3.751 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.007 -2.157 -3.418 1.00 0.00 C ATOM 583 OH TYR 1 44 5.210 -2.628 -2.943 1.00 0.00 O ATOM 0 H TYR 1 44 -0.518 0.804 -2.339 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.798 -0.850 -4.329 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.085 -1.349 -5.699 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.401 0.292 -5.323 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.904 -3.223 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.562 0.685 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.043 -4.061 -3.294 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.711 -0.151 -3.641 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.858 -1.893 -2.907 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.371 -2.723 -2.742 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.247 -3.733 -1.707 1.00 0.00 C ATOM 595 C GLY 1 45 -2.597 -4.209 -1.201 1.00 0.00 C ATOM 596 O GLY 1 45 -3.628 -3.603 -1.493 1.00 0.00 O ATOM 0 H GLY 1 45 -2.051 -2.938 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.688 -4.583 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.672 -3.328 -0.874 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.588 -5.303 -0.449 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.814 -5.883 0.093 1.00 0.00 C ATOM 602 C GLU 1 46 -4.603 -4.886 0.941 1.00 0.00 C ATOM 603 O GLU 1 46 -5.823 -4.782 0.818 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.472 -7.104 0.944 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.312 -8.384 0.140 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.313 -8.240 -0.992 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.702 -7.734 -2.065 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.143 -8.634 -0.804 1.00 0.00 O ATOM 0 H GLU 1 46 -1.739 -5.811 -0.198 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.439 -6.168 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.548 -6.909 1.488 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.255 -7.248 1.688 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.991 -9.187 0.803 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.279 -8.675 -0.269 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.903 -4.181 1.819 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.538 -3.219 2.714 1.00 0.00 C ATOM 617 C CYS 1 47 -4.975 -1.946 1.990 1.00 0.00 C ATOM 618 O CYS 1 47 -5.796 -1.189 2.505 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.579 -2.867 3.848 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.677 -3.987 5.276 1.00 0.00 S ATOM 0 H CYS 1 47 -2.892 -4.256 1.932 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.438 -3.687 3.112 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.559 -2.875 3.463 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.786 -1.850 4.182 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.417 -1.695 0.810 1.00 0.00 N ATOM 626 CA CYS 1 48 -4.754 -0.495 0.059 1.00 0.00 C ATOM 627 C CYS 1 48 -6.194 -0.510 -0.448 1.00 0.00 C ATOM 628 O CYS 1 48 -6.631 -1.456 -1.103 1.00 0.00 O ATOM 629 CB CYS 1 48 -3.798 -0.331 -1.123 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.167 1.107 -2.176 1.00 0.00 S ATOM 0 H CYS 1 48 -3.734 -2.303 0.357 1.00 0.00 H new ATOM 0 HA CYS 1 48 -4.654 0.348 0.742 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -2.780 -0.240 -0.744 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -3.832 -1.234 -1.733 1.00 0.00 H new ATOM 635 N ASP 1 49 -6.916 0.568 -0.144 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.302 0.723 -0.567 1.00 0.00 C ATOM 637 C ASP 1 49 -8.669 2.203 -0.661 1.00 0.00 C ATOM 638 O ASP 1 49 -8.808 2.884 0.355 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.242 0.012 0.408 1.00 0.00 C ATOM 640 CG ASP 1 49 -9.161 0.582 1.810 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -8.168 0.295 2.511 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -10.090 1.317 2.207 1.00 0.00 O ATOM 0 H ASP 1 49 -6.557 1.353 0.399 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.412 0.271 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -10.266 0.093 0.045 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -8.997 -1.050 0.436 1.00 0.00 H new ATOM 647 N GLN 1 50 -8.817 2.697 -1.889 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.164 4.098 -2.117 1.00 0.00 C ATOM 649 C GLN 1 50 -8.043 5.022 -1.645 1.00 0.00 C ATOM 650 O GLN 1 50 -8.295 6.051 -1.017 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.469 4.449 -1.399 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.350 5.414 -2.175 1.00 0.00 C ATOM 653 CD GLN 1 50 -12.280 6.206 -1.277 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.004 6.395 -0.092 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.389 6.672 -1.838 1.00 0.00 N ATOM 0 H GLN 1 50 -8.702 2.148 -2.741 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.300 4.241 -3.189 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.028 3.532 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.234 4.885 -0.428 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -10.720 6.103 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.941 4.856 -2.902 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.577 6.491 -2.824 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.054 7.211 -1.283 1.00 0.00 H new ATOM 664 N CYS 1 51 -6.806 4.643 -1.947 1.00 0.00 N ATOM 665 CA CYS 1 51 -5.640 5.430 -1.550 1.00 0.00 C ATOM 666 C CYS 1 51 -5.517 5.503 -0.028 1.00 0.00 C ATOM 667 O CYS 1 51 -4.800 6.350 0.505 1.00 0.00 O ATOM 668 CB CYS 1 51 -5.711 6.843 -2.134 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.727 6.905 -3.956 1.00 0.00 S ATOM 0 H CYS 1 51 -6.583 3.794 -2.466 1.00 0.00 H new ATOM 0 HA CYS 1 51 -4.756 4.930 -1.946 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -6.609 7.334 -1.758 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -4.858 7.416 -1.771 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.216 4.607 0.668 1.00 0.00 N ATOM 675 CA ARG 1 52 -6.179 4.568 2.125 1.00 0.00 C ATOM 676 C ARG 1 52 -6.086 3.127 2.618 1.00 0.00 C ATOM 677 O ARG 1 52 -6.701 2.227 2.047 1.00 0.00 O ATOM 678 CB ARG 1 52 -7.423 5.241 2.709 1.00 0.00 C ATOM 679 CG ARG 1 52 -7.370 6.759 2.665 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.060 7.375 3.871 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.398 7.018 5.123 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.965 7.135 6.322 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.203 7.599 6.435 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.292 6.787 7.410 1.00 0.00 N ATOM 0 H ARG 1 52 -6.815 3.899 0.243 1.00 0.00 H new ATOM 0 HA ARG 1 52 -5.295 5.111 2.460 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.301 4.900 2.161 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -7.548 4.920 3.743 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -6.331 7.087 2.632 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.846 7.115 1.751 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -8.074 8.460 3.765 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.098 7.044 3.903 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.445 6.658 5.076 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.725 7.868 5.601 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -9.633 7.687 7.356 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.340 6.430 7.328 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.726 6.877 8.329 1.00 0.00 H new ATOM 698 N PHE 1 53 -5.309 2.911 3.676 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.137 1.572 4.232 1.00 0.00 C ATOM 700 C PHE 1 53 -6.424 1.072 4.870 1.00 0.00 C ATOM 701 O PHE 1 53 -7.136 1.827 5.533 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.011 1.556 5.269 1.00 0.00 C ATOM 703 CG PHE 1 53 -2.635 1.570 4.667 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.370 0.884 3.493 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -1.606 2.272 5.275 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.109 0.897 2.936 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -0.340 2.288 4.723 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.091 1.600 3.551 1.00 0.00 C ATOM 0 H PHE 1 53 -4.791 3.642 4.164 1.00 0.00 H new ATOM 0 HA PHE 1 53 -4.874 0.908 3.409 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -4.120 2.420 5.924 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.116 0.668 5.893 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.161 0.332 3.008 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -1.796 2.812 6.190 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -0.917 0.358 2.020 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 0.454 2.837 5.207 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.898 1.612 3.116 1.00 0.00 H new ATOM 718 N LYS 1 54 -6.709 -0.210 4.678 1.00 0.00 N ATOM 719 CA LYS 1 54 -7.902 -0.814 5.249 1.00 0.00 C ATOM 720 C LYS 1 54 -7.823 -0.777 6.770 1.00 0.00 C ATOM 721 O LYS 1 54 -7.078 -1.542 7.378 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.058 -2.255 4.758 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.180 -2.437 3.749 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.981 -3.691 2.911 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.581 -3.353 1.485 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.765 -3.226 0.591 1.00 0.00 N ATOM 0 H LYS 1 54 -6.131 -0.849 4.132 1.00 0.00 H new ATOM 0 HA LYS 1 54 -8.774 -0.246 4.927 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.120 -2.580 4.308 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.242 -2.904 5.614 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.135 -2.496 4.272 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.228 -1.566 3.096 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -8.213 -4.316 3.367 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.902 -4.274 2.903 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.019 -2.419 1.477 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.918 -4.128 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.455 -2.929 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -10.250 -4.144 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.419 -2.517 0.979 1.00 0.00 H new ATOM 740 N LYS 1 55 -8.587 0.128 7.377 1.00 0.00 N ATOM 741 CA LYS 1 55 -8.602 0.287 8.832 1.00 0.00 C ATOM 742 C LYS 1 55 -8.381 -1.042 9.546 1.00 0.00 C ATOM 743 O LYS 1 55 -9.068 -2.030 9.269 1.00 0.00 O ATOM 744 CB LYS 1 55 -9.929 0.902 9.281 1.00 0.00 C ATOM 745 CG LYS 1 55 -9.998 1.176 10.774 1.00 0.00 C ATOM 746 CD LYS 1 55 -9.646 2.620 11.093 1.00 0.00 C ATOM 747 CE LYS 1 55 -8.842 2.727 12.378 1.00 0.00 C ATOM 748 NZ LYS 1 55 -7.376 2.750 12.116 1.00 0.00 N ATOM 0 H LYS 1 55 -9.208 0.767 6.881 1.00 0.00 H new ATOM 0 HA LYS 1 55 -7.782 0.953 9.100 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -10.088 1.835 8.741 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -10.743 0.231 9.005 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.001 0.956 11.139 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -9.314 0.509 11.299 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.075 3.047 10.269 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -10.560 3.207 11.185 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -9.130 3.633 12.912 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.082 1.885 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -6.863 2.824 13.018 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -7.097 1.874 11.629 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -7.143 3.568 11.518 1.00 0.00 H new ATOM 762 N ALA 1 56 -7.410 -1.063 10.462 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.097 -2.272 11.212 1.00 0.00 C ATOM 764 C ALA 1 56 -8.367 -3.014 11.577 1.00 0.00 C ATOM 765 O ALA 1 56 -9.330 -2.419 12.064 1.00 0.00 O ATOM 766 CB ALA 1 56 -6.307 -1.949 12.465 1.00 0.00 C ATOM 0 H ALA 1 56 -6.831 -0.257 10.699 1.00 0.00 H new ATOM 0 HA ALA 1 56 -6.484 -2.910 10.575 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.088 -2.870 13.005 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -5.373 -1.459 12.190 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -6.891 -1.286 13.103 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.376 -4.303 11.312 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.554 -5.097 11.590 1.00 0.00 C ATOM 774 C GLY 1 57 -10.159 -5.642 10.316 1.00 0.00 C ATOM 775 O GLY 1 57 -10.996 -6.544 10.352 1.00 0.00 O ATOM 0 H GLY 1 57 -7.593 -4.818 10.910 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.292 -5.922 12.253 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.291 -4.488 12.114 1.00 0.00 H new ATOM 779 N THR 1 58 -9.716 -5.103 9.181 1.00 0.00 N ATOM 780 CA THR 1 58 -10.194 -5.557 7.887 1.00 0.00 C ATOM 781 C THR 1 58 -9.494 -6.859 7.512 1.00 0.00 C ATOM 782 O THR 1 58 -8.274 -6.891 7.354 1.00 0.00 O ATOM 783 CB THR 1 58 -9.935 -4.499 6.815 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.598 -3.288 7.133 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.395 -4.931 5.445 1.00 0.00 C ATOM 0 H THR 1 58 -9.027 -4.352 9.137 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.269 -5.727 7.950 1.00 0.00 H new ATOM 0 HB THR 1 58 -8.854 -4.357 6.795 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.107 -2.822 7.842 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.186 -4.140 4.725 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.865 -5.838 5.153 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.467 -5.128 5.466 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.263 -7.933 7.393 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.697 -9.234 7.063 1.00 0.00 C ATOM 795 C VAL 1 59 -9.296 -9.329 5.592 1.00 0.00 C ATOM 796 O VAL 1 59 -10.127 -9.158 4.700 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.681 -10.377 7.389 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.930 -10.275 6.525 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -10.010 -11.730 7.211 1.00 0.00 C ATOM 0 H VAL 1 59 -11.275 -7.930 7.519 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.803 -9.340 7.678 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.982 -10.282 8.432 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.610 -11.090 6.771 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.424 -9.321 6.711 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.651 -10.340 5.473 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.721 -12.522 7.446 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.675 -11.837 6.179 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.153 -11.802 7.880 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.019 -9.615 5.349 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.510 -9.746 3.982 1.00 0.00 C ATOM 811 C CYS 1 60 -7.198 -11.203 3.635 1.00 0.00 C ATOM 812 O CYS 1 60 -7.110 -11.564 2.462 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.248 -8.903 3.793 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.364 -7.213 4.458 1.00 0.00 S ATOM 0 H CYS 1 60 -7.319 -9.760 6.076 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.292 -9.388 3.313 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.411 -9.412 4.272 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.020 -8.846 2.729 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.018 -12.033 4.659 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.700 -13.448 4.456 1.00 0.00 C ATOM 821 C ARG 1 61 -7.179 -14.304 5.630 1.00 0.00 C ATOM 822 O ARG 1 61 -7.356 -13.813 6.743 1.00 0.00 O ATOM 823 CB ARG 1 61 -5.187 -13.631 4.268 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.754 -13.704 2.812 1.00 0.00 C ATOM 825 CD ARG 1 61 -3.443 -14.466 2.645 1.00 0.00 C ATOM 826 NE ARG 1 61 -2.445 -14.101 3.653 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.882 -12.898 3.742 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -2.183 -11.948 2.866 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -1.003 -12.650 4.704 1.00 0.00 N ATOM 0 H ARG 1 61 -7.086 -11.753 5.637 1.00 0.00 H new ATOM 0 HA ARG 1 61 -7.222 -13.778 3.558 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.668 -12.803 4.751 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.875 -14.543 4.776 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -5.534 -14.190 2.226 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.640 -12.695 2.416 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -3.639 -15.536 2.705 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -3.038 -14.271 1.652 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.164 -14.812 4.328 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.850 -12.137 2.118 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.747 -11.029 2.941 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.760 -13.380 5.373 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.570 -11.729 4.774 1.00 0.00 H new ATOM 843 N ILE 1 62 -7.376 -15.594 5.369 1.00 0.00 N ATOM 844 CA ILE 1 62 -7.818 -16.537 6.388 1.00 0.00 C ATOM 845 C ILE 1 62 -7.386 -17.944 6.014 1.00 0.00 C ATOM 846 O ILE 1 62 -7.657 -18.415 4.910 1.00 0.00 O ATOM 847 CB ILE 1 62 -9.349 -16.541 6.578 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -9.895 -15.121 6.713 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -9.725 -17.370 7.797 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -9.998 -14.392 5.396 1.00 0.00 C ATOM 0 H ILE 1 62 -7.234 -16.012 4.449 1.00 0.00 H new ATOM 0 HA ILE 1 62 -7.358 -16.217 7.323 1.00 0.00 H new ATOM 0 HB ILE 1 62 -9.798 -16.989 5.691 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.881 -15.161 7.176 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -9.250 -14.554 7.385 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -10.808 -17.365 7.920 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -9.380 -18.395 7.660 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -9.257 -16.945 8.685 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.393 -13.390 5.565 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.010 -14.321 4.941 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -10.666 -14.938 4.729 1.00 0.00 H new ATOM 862 N ALA 1 63 -6.715 -18.611 6.936 1.00 0.00 N ATOM 863 CA ALA 1 63 -6.248 -19.969 6.701 1.00 0.00 C ATOM 864 C ALA 1 63 -7.401 -20.868 6.275 1.00 0.00 C ATOM 865 O ALA 1 63 -7.434 -21.357 5.146 1.00 0.00 O ATOM 866 CB ALA 1 63 -5.560 -20.521 7.942 1.00 0.00 C ATOM 0 H ALA 1 63 -6.480 -18.236 7.855 1.00 0.00 H new ATOM 0 HA ALA 1 63 -5.520 -19.946 5.890 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -5.218 -21.537 7.747 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -4.706 -19.893 8.194 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -6.263 -20.529 8.775 1.00 0.00 H new ATOM 872 N ARG 1 64 -8.352 -21.070 7.183 1.00 0.00 N ATOM 873 CA ARG 1 64 -9.524 -21.901 6.903 1.00 0.00 C ATOM 874 C ARG 1 64 -10.338 -22.161 8.170 1.00 0.00 C ATOM 875 O ARG 1 64 -10.348 -23.274 8.696 1.00 0.00 O ATOM 876 CB ARG 1 64 -9.107 -23.235 6.269 1.00 0.00 C ATOM 877 CG ARG 1 64 -9.863 -23.563 4.992 1.00 0.00 C ATOM 878 CD ARG 1 64 -9.213 -22.919 3.778 1.00 0.00 C ATOM 879 NE ARG 1 64 -9.683 -23.510 2.527 1.00 0.00 N ATOM 880 CZ ARG 1 64 -9.404 -23.016 1.323 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -8.659 -21.924 1.202 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -9.871 -23.615 0.236 1.00 0.00 N ATOM 0 H ARG 1 64 -8.336 -20.670 8.121 1.00 0.00 H new ATOM 0 HA ARG 1 64 -10.150 -21.354 6.198 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -8.039 -23.207 6.052 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -9.265 -24.036 6.991 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -9.898 -24.644 4.856 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -10.894 -23.219 5.080 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -9.427 -21.850 3.777 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -8.131 -23.028 3.846 1.00 0.00 H new ATOM 0 HE ARG 1 64 -10.259 -24.350 2.580 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -8.297 -21.459 2.034 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -8.449 -21.550 0.277 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -10.444 -24.454 0.323 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.657 -23.236 -0.687 1.00 0.00 H new ATOM 896 N GLY 1 65 -11.026 -21.131 8.653 1.00 0.00 N ATOM 897 CA GLY 1 65 -11.835 -21.284 9.847 1.00 0.00 C ATOM 898 C GLY 1 65 -11.887 -20.024 10.687 1.00 0.00 C ATOM 899 O GLY 1 65 -12.435 -19.006 10.264 1.00 0.00 O ATOM 0 H GLY 1 65 -11.038 -20.198 8.241 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -12.848 -21.566 9.560 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -11.435 -22.100 10.449 1.00 0.00 H new ATOM 903 N ASP 1 66 -11.315 -20.098 11.882 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.294 -18.963 12.797 1.00 0.00 C ATOM 905 C ASP 1 66 -10.316 -19.210 13.941 1.00 0.00 C ATOM 906 O ASP 1 66 -10.707 -19.638 15.026 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.694 -18.700 13.353 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.272 -19.909 14.061 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -13.320 -20.993 13.441 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.676 -19.774 15.235 1.00 0.00 O ATOM 0 H ASP 1 66 -10.858 -20.936 12.242 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.964 -18.085 12.242 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.654 -17.861 14.047 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.357 -18.409 12.538 1.00 0.00 H new ATOM 915 N TRP 1 67 -9.043 -18.941 13.683 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.994 -19.134 14.680 1.00 0.00 C ATOM 917 C TRP 1 67 -7.285 -17.817 14.969 1.00 0.00 C ATOM 918 O TRP 1 67 -7.424 -17.240 16.047 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.983 -20.178 14.185 1.00 0.00 C ATOM 920 CG TRP 1 67 -7.167 -20.557 12.744 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -6.964 -19.766 11.649 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -7.600 -21.825 12.246 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -7.252 -20.462 10.504 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -7.640 -21.732 10.843 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -7.956 -23.031 12.852 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -8.024 -22.799 10.037 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -8.337 -24.091 12.051 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -8.367 -23.970 10.656 1.00 0.00 C ATOM 0 H TRP 1 67 -8.709 -18.586 12.787 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.452 -19.492 15.602 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.974 -19.789 14.324 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -7.067 -21.073 14.801 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -6.626 -18.741 11.681 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -7.188 -20.095 9.555 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -7.934 -23.134 13.927 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -8.050 -22.706 8.961 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -8.616 -25.029 12.509 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -8.667 -24.817 10.057 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.539 -17.347 13.982 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.808 -16.090 14.088 1.00 0.00 C ATOM 941 C ASN 1 68 -6.332 -15.101 13.060 1.00 0.00 C ATOM 942 O ASN 1 68 -6.502 -13.916 13.347 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.312 -16.306 13.859 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.821 -17.644 14.377 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -4.110 -18.707 13.635 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.190 -17.722 15.431 1.00 0.00 N flip ATOM 0 H ASN 1 68 -6.422 -17.822 13.087 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.956 -15.696 15.093 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.099 -16.235 12.792 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.756 -15.507 14.349 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.990 -16.879 15.969 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.867 -18.630 15.766 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.590 -15.609 11.858 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.103 -14.792 10.769 1.00 0.00 C ATOM 955 C ASP 1 69 -6.097 -13.744 10.332 1.00 0.00 C ATOM 956 O ASP 1 69 -5.130 -13.455 11.036 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.389 -14.091 11.190 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.631 -14.880 10.823 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.703 -16.075 11.180 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.531 -14.303 10.178 1.00 0.00 O ATOM 0 H ASP 1 69 -6.450 -16.590 11.615 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.298 -15.462 9.932 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.373 -13.927 12.267 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.434 -13.109 10.718 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.358 -13.158 9.174 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.507 -12.113 8.640 1.00 0.00 C ATOM 967 C ASP 1 70 -6.233 -10.789 8.712 1.00 0.00 C ATOM 968 O ASP 1 70 -7.357 -10.668 8.232 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.104 -12.421 7.202 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.984 -11.528 6.718 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.036 -10.312 6.995 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -3.057 -12.045 6.063 1.00 0.00 O ATOM 0 H ASP 1 70 -7.157 -13.392 8.585 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.597 -12.060 9.237 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.793 -13.463 7.129 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.969 -12.301 6.550 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.609 -9.808 9.344 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.243 -8.515 9.503 1.00 0.00 C ATOM 979 C TYR 1 71 -5.292 -7.358 9.281 1.00 0.00 C ATOM 980 O TYR 1 71 -4.148 -7.375 9.732 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.839 -8.421 10.895 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.133 -9.168 11.020 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.287 -8.640 10.481 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.202 -10.393 11.667 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.488 -9.300 10.578 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.399 -11.070 11.773 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.545 -10.519 11.227 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.743 -11.187 11.329 1.00 0.00 O ATOM 0 H TYR 1 71 -4.676 -9.883 9.750 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.019 -8.439 8.741 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.125 -8.814 11.619 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.003 -7.373 11.146 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.246 -7.688 9.972 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.307 -10.822 12.093 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.381 -8.869 10.150 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.442 -12.023 12.279 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.608 -12.028 11.813 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.794 -6.341 8.597 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.015 -5.149 8.321 1.00 0.00 C ATOM 1000 C CYS 1 72 -4.641 -4.453 9.622 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.254 -4.695 10.663 1.00 0.00 O ATOM 1002 CB CYS 1 72 -5.800 -4.197 7.423 1.00 0.00 C ATOM 1003 SG CYS 1 72 -4.770 -2.933 6.617 1.00 0.00 S ATOM 0 H CYS 1 72 -6.742 -6.320 8.222 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.102 -5.443 7.804 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.314 -4.776 6.656 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.568 -3.702 8.017 1.00 0.00 H new ATOM 1008 N THR 1 73 -3.630 -3.596 9.559 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.170 -2.875 10.738 1.00 0.00 C ATOM 1010 C THR 1 73 -3.329 -1.361 10.573 1.00 0.00 C ATOM 1011 O THR 1 73 -2.889 -0.587 11.423 1.00 0.00 O ATOM 1012 CB THR 1 73 -1.711 -3.235 11.019 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -0.866 -2.796 9.968 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.497 -4.726 11.182 1.00 0.00 C ATOM 0 H THR 1 73 -3.114 -3.384 8.705 1.00 0.00 H new ATOM 0 HA THR 1 73 -3.788 -3.173 11.585 1.00 0.00 H new ATOM 0 HB THR 1 73 -1.462 -2.733 11.954 1.00 0.00 H new ATOM 0 HG1 THR 1 73 0.031 -3.172 10.091 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.443 -4.923 11.380 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.097 -5.091 12.016 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -1.797 -5.239 10.268 1.00 0.00 H new ATOM 1022 N GLY 1 74 -3.968 -0.946 9.480 1.00 0.00 N ATOM 1023 CA GLY 1 74 -4.183 0.470 9.231 1.00 0.00 C ATOM 1024 C GLY 1 74 -2.903 1.282 9.280 1.00 0.00 C ATOM 1025 O GLY 1 74 -2.930 2.472 9.595 1.00 0.00 O ATOM 0 H GLY 1 74 -4.341 -1.567 8.762 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -4.648 0.595 8.253 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -4.883 0.861 9.969 1.00 0.00 H new ATOM 1029 N LYS 1 75 -1.780 0.643 8.973 1.00 0.00 N ATOM 1030 CA LYS 1 75 -0.489 1.325 8.990 1.00 0.00 C ATOM 1031 C LYS 1 75 0.325 1.028 7.730 1.00 0.00 C ATOM 1032 O LYS 1 75 1.211 1.800 7.363 1.00 0.00 O ATOM 1033 CB LYS 1 75 0.308 0.920 10.232 1.00 0.00 C ATOM 1034 CG LYS 1 75 0.768 -0.529 10.217 1.00 0.00 C ATOM 1035 CD LYS 1 75 2.246 -0.651 10.552 1.00 0.00 C ATOM 1036 CE LYS 1 75 2.468 -0.791 12.050 1.00 0.00 C ATOM 1037 NZ LYS 1 75 3.841 -0.377 12.449 1.00 0.00 N ATOM 0 H LYS 1 75 -1.736 -0.342 8.710 1.00 0.00 H new ATOM 0 HA LYS 1 75 -0.685 2.397 9.018 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 1.180 1.568 10.321 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.305 1.088 11.117 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 0.183 -1.104 10.935 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 0.580 -0.961 9.234 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 2.666 -1.516 10.038 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 2.777 0.227 10.185 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 1.736 -0.184 12.584 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 2.300 -1.826 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 3.952 -0.487 13.477 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 4.539 -0.973 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 3.993 0.619 12.189 1.00 0.00 H new ATOM 1051 N SER 1 76 0.032 -0.092 7.074 1.00 0.00 N ATOM 1052 CA SER 1 76 0.755 -0.472 5.864 1.00 0.00 C ATOM 1053 C SER 1 76 -0.162 -1.173 4.868 1.00 0.00 C ATOM 1054 O SER 1 76 -1.323 -1.452 5.163 1.00 0.00 O ATOM 1055 CB SER 1 76 1.930 -1.385 6.217 1.00 0.00 C ATOM 1056 OG SER 1 76 2.497 -1.027 7.466 1.00 0.00 O ATOM 0 H SER 1 76 -0.696 -0.748 7.357 1.00 0.00 H new ATOM 0 HA SER 1 76 1.131 0.439 5.399 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.592 -2.421 6.251 1.00 0.00 H new ATOM 0 HB3 SER 1 76 2.690 -1.323 5.438 1.00 0.00 H new ATOM 0 HG SER 1 76 3.245 -1.626 7.670 1.00 0.00 H new ATOM 1062 N SER 1 77 0.377 -1.461 3.685 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.381 -2.138 2.639 1.00 0.00 C ATOM 1064 C SER 1 77 -0.303 -3.654 2.797 1.00 0.00 C ATOM 1065 O SER 1 77 -0.690 -4.400 1.898 1.00 0.00 O ATOM 1066 CB SER 1 77 0.138 -1.731 1.259 1.00 0.00 C ATOM 1067 OG SER 1 77 -0.934 -1.490 0.362 1.00 0.00 O ATOM 0 H SER 1 77 1.338 -1.235 3.428 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.424 -1.837 2.732 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.751 -0.834 1.347 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.779 -2.518 0.861 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.616 -0.949 -0.390 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.201 -4.107 3.943 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.326 -5.534 4.207 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.702 -5.993 5.236 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.022 -5.271 6.180 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.737 -5.861 4.699 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.729 -5.997 3.560 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.877 -5.031 2.783 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.358 -7.070 3.446 1.00 0.00 O ATOM 0 H ASP 1 78 0.528 -3.507 4.700 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.140 -6.066 3.274 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.073 -5.077 5.378 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.714 -6.789 5.270 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.214 -7.202 5.041 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.205 -7.778 5.941 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.691 -9.095 6.527 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.661 -10.113 5.838 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.517 -8.017 5.187 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.956 -7.174 5.919 1.00 0.00 S ATOM 0 H CYS 1 79 -0.956 -7.807 4.261 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.384 -7.079 6.758 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.398 -7.682 4.157 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.715 -9.088 5.153 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.270 -9.095 7.806 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.751 -10.301 8.467 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.850 -11.313 8.790 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.861 -10.967 9.397 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.139 -9.751 9.757 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.920 -8.517 10.043 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.254 -7.924 8.703 1.00 0.00 C ATOM 0 HA PRO 1 80 -0.048 -10.843 7.834 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.220 -10.470 10.573 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.921 -9.530 9.631 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.825 -8.748 10.605 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.340 -7.818 10.646 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.218 -7.416 8.717 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.511 -7.190 8.392 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.641 -12.565 8.377 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.617 -13.635 8.619 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.389 -14.341 9.951 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.280 -15.009 10.474 1.00 0.00 O ATOM 1113 CB TRP 1 81 -2.611 -14.656 7.483 1.00 0.00 C ATOM 1114 CG TRP 1 81 -1.265 -15.218 7.129 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -0.042 -14.899 7.652 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -1.027 -16.219 6.146 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 0.939 -15.636 7.032 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 0.355 -16.456 6.104 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.861 -16.932 5.296 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 0.920 -17.383 5.235 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -1.305 -17.855 4.432 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.077 -18.073 4.406 1.00 0.00 C ATOM 0 H TRP 1 81 -0.806 -12.865 7.874 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.594 -13.154 8.661 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -3.270 -15.481 7.755 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -3.036 -14.188 6.595 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.128 -14.176 8.436 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 1.938 -15.581 7.231 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.928 -16.768 5.310 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 1.986 -17.553 5.215 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.945 -18.416 3.768 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.486 -18.799 3.719 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.198 -14.184 10.488 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.836 -14.796 11.762 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.960 -16.316 11.697 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.776 -16.913 12.399 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.719 -14.246 12.884 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.430 -12.788 13.185 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.871 -12.457 14.231 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.811 -11.907 12.267 1.00 0.00 N ATOM 0 H ASN 1 82 -0.453 -13.633 10.062 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.204 -14.547 11.971 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.767 -14.356 12.605 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.566 -14.838 13.786 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.643 -10.912 12.415 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.271 -12.226 11.414 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.143 -16.936 10.852 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.161 -18.386 10.698 1.00 0.00 C ATOM 1149 C HIS 1 83 1.256 -18.939 10.590 1.00 0.00 C ATOM 1150 O HIS 1 83 1.598 -19.847 11.376 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.970 -18.780 9.461 1.00 0.00 C ATOM 1152 CG HIS 1 83 -2.387 -18.299 9.496 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -3.048 -17.824 8.383 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -3.271 -18.219 10.518 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -4.275 -17.472 8.720 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -4.436 -17.702 10.009 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.013 -18.460 9.719 1.00 0.00 O ATOM 0 H HIS 1 83 0.539 -16.457 10.264 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.633 -18.814 11.583 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -0.480 -18.379 8.574 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -0.965 -19.866 9.364 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.651 -17.755 7.446 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -3.093 -18.508 11.543 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -5.021 -17.065 8.053 1.00 0.00 H new