USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=12 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 : amide:sc= -2.38 K(o=-8.8,f=-6.7) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -6.41! C(o=-8.8!,f=-7.7!) USER MOD Set 2.1: 1 37 THR OG1 : rot -157:sc= 1.19 USER MOD Set 2.2: 1 40 SER OG : rot -87:sc= 0.351 USER MOD Set 3.1: 1 33 THR OG1 : rot 180:sc= -0.0559 USER MOD Set 3.2: 1 35 LYS NZ :NH3+ -171:sc= 0.558 (180deg=0.501) USER MOD Single : 1 7 ASN : amide:sc= -5.23! C(o=-5.2!,f=-3.4!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.79! C(o=-2.8!,f=-6.3!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.962 X(o=-0.96,f=-0.73) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -4.48! K(o=-4.5!,f=-0.86) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -5.22 K(o=-5.2,f=-6.9!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.739 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 38:sc= 1.27 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.905 0.209 -7.799 1.00 0.00 N ATOM 29 CA PRO 1 3 14.388 1.318 -7.002 1.00 0.00 C ATOM 30 C PRO 1 3 14.725 2.671 -7.617 1.00 0.00 C ATOM 31 O PRO 1 3 15.808 3.210 -7.388 1.00 0.00 O ATOM 32 CB PRO 1 3 15.096 1.154 -5.644 1.00 0.00 C ATOM 33 CG PRO 1 3 15.969 -0.056 -5.771 1.00 0.00 C ATOM 34 CD PRO 1 3 16.161 -0.288 -7.240 1.00 0.00 C ATOM 0 HA PRO 1 3 13.301 1.295 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.688 2.037 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.371 1.028 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.926 0.102 -5.275 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.504 -0.921 -5.299 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.022 0.255 -7.629 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.319 -1.342 -7.468 1.00 0.00 H new ATOM 42 N VAL 1 4 13.797 3.221 -8.398 1.00 0.00 N ATOM 43 CA VAL 1 4 14.017 4.514 -9.035 1.00 0.00 C ATOM 44 C VAL 1 4 12.970 5.535 -8.597 1.00 0.00 C ATOM 45 O VAL 1 4 11.802 5.441 -8.973 1.00 0.00 O ATOM 46 CB VAL 1 4 13.992 4.399 -10.571 1.00 0.00 C ATOM 47 CG1 VAL 1 4 14.913 5.437 -11.196 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.380 2.996 -11.018 1.00 0.00 C ATOM 0 H VAL 1 4 12.893 2.794 -8.603 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.004 4.853 -8.719 1.00 0.00 H new ATOM 0 HB VAL 1 4 12.974 4.590 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 14.884 5.343 -12.282 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.583 6.436 -10.910 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 15.932 5.277 -10.845 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.355 2.941 -12.106 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.386 2.767 -10.666 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.677 2.274 -10.602 1.00 0.00 H new ATOM 58 N CYS 1 5 13.403 6.516 -7.811 1.00 0.00 N ATOM 59 CA CYS 1 5 12.508 7.564 -7.332 1.00 0.00 C ATOM 60 C CYS 1 5 12.407 8.666 -8.380 1.00 0.00 C ATOM 61 O CYS 1 5 13.290 9.516 -8.493 1.00 0.00 O ATOM 62 CB CYS 1 5 13.015 8.132 -6.000 1.00 0.00 C ATOM 63 SG CYS 1 5 12.161 9.645 -5.438 1.00 0.00 S ATOM 0 H CYS 1 5 14.368 6.607 -7.492 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.517 7.141 -7.165 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.911 7.366 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.080 8.346 -6.094 1.00 0.00 H new ATOM 68 N GLY 1 6 11.338 8.623 -9.161 1.00 0.00 N ATOM 69 CA GLY 1 6 11.143 9.595 -10.216 1.00 0.00 C ATOM 70 C GLY 1 6 11.207 8.935 -11.576 1.00 0.00 C ATOM 71 O GLY 1 6 11.608 9.549 -12.564 1.00 0.00 O ATOM 0 H GLY 1 6 10.597 7.927 -9.082 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.178 10.085 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.906 10.370 -10.147 1.00 0.00 H new ATOM 75 N ASN 1 7 10.808 7.668 -11.611 1.00 0.00 N ATOM 76 CA ASN 1 7 10.810 6.882 -12.833 1.00 0.00 C ATOM 77 C ASN 1 7 9.443 6.239 -13.048 1.00 0.00 C ATOM 78 O ASN 1 7 9.231 5.510 -14.017 1.00 0.00 O ATOM 79 CB ASN 1 7 11.890 5.802 -12.751 1.00 0.00 C ATOM 80 CG ASN 1 7 12.183 5.171 -14.099 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.443 5.364 -15.063 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.270 4.412 -14.174 1.00 0.00 N ATOM 0 H ASN 1 7 10.475 7.160 -10.792 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.024 7.538 -13.677 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.805 6.238 -12.351 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.573 5.028 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.519 3.963 -15.055 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.856 4.278 -13.350 1.00 0.00 H new ATOM 89 N LYS 1 8 8.518 6.516 -12.130 1.00 0.00 N ATOM 90 CA LYS 1 8 7.169 5.974 -12.197 1.00 0.00 C ATOM 91 C LYS 1 8 7.138 4.519 -11.743 1.00 0.00 C ATOM 92 O LYS 1 8 6.231 3.769 -12.103 1.00 0.00 O ATOM 93 CB LYS 1 8 6.602 6.092 -13.616 1.00 0.00 C ATOM 94 CG LYS 1 8 5.088 6.214 -13.658 1.00 0.00 C ATOM 95 CD LYS 1 8 4.502 5.478 -14.852 1.00 0.00 C ATOM 96 CE LYS 1 8 4.007 4.094 -14.465 1.00 0.00 C ATOM 97 NZ LYS 1 8 2.619 4.131 -13.927 1.00 0.00 N ATOM 0 H LYS 1 8 8.685 7.119 -11.325 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.546 6.560 -11.521 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.042 6.962 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 6.904 5.218 -14.193 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.664 5.812 -12.738 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 4.808 7.266 -13.705 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 3.678 6.057 -15.269 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.257 5.390 -15.633 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 4.041 3.439 -15.336 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 4.675 3.665 -13.718 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 2.319 3.168 -13.675 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 2.591 4.735 -13.081 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 1.977 4.516 -14.649 1.00 0.00 H new ATOM 111 N ILE 1 9 8.128 4.124 -10.947 1.00 0.00 N ATOM 112 CA ILE 1 9 8.199 2.759 -10.446 1.00 0.00 C ATOM 113 C ILE 1 9 8.179 2.740 -8.929 1.00 0.00 C ATOM 114 O ILE 1 9 9.140 3.165 -8.288 1.00 0.00 O ATOM 115 CB ILE 1 9 9.476 2.024 -10.920 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.247 2.869 -11.932 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.124 0.668 -11.507 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.529 2.222 -12.410 1.00 0.00 C ATOM 0 H ILE 1 9 8.889 4.729 -10.637 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.326 2.244 -10.846 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.119 1.866 -10.054 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.606 3.065 -12.792 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.482 3.834 -11.483 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.034 0.166 -11.835 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.628 0.061 -10.750 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.457 0.802 -12.359 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.023 2.879 -13.126 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.189 2.050 -11.560 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.300 1.270 -12.889 1.00 0.00 H new ATOM 130 N LEU 1 10 7.098 2.227 -8.356 1.00 0.00 N ATOM 131 CA LEU 1 10 6.991 2.134 -6.911 1.00 0.00 C ATOM 132 C LEU 1 10 8.051 1.168 -6.403 1.00 0.00 C ATOM 133 O LEU 1 10 7.744 0.038 -6.022 1.00 0.00 O ATOM 134 CB LEU 1 10 5.596 1.654 -6.496 1.00 0.00 C ATOM 135 CG LEU 1 10 4.448 2.135 -7.386 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.105 1.082 -8.430 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.227 2.473 -6.543 1.00 0.00 C ATOM 0 H LEU 1 10 6.290 1.872 -8.867 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.147 3.121 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.593 0.564 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.405 1.984 -5.475 1.00 0.00 H new ATOM 0 HG LEU 1 10 4.768 3.039 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.287 1.441 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.978 0.889 -9.053 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.804 0.160 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 2.420 2.813 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 2.905 1.586 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.481 3.262 -5.835 1.00 0.00 H new ATOM 149 N GLU 1 11 9.308 1.603 -6.437 1.00 0.00 N ATOM 150 CA GLU 1 11 10.406 0.748 -6.016 1.00 0.00 C ATOM 151 C GLU 1 11 11.403 1.488 -5.131 1.00 0.00 C ATOM 152 O GLU 1 11 11.787 0.982 -4.078 1.00 0.00 O ATOM 153 CB GLU 1 11 11.112 0.170 -7.243 1.00 0.00 C ATOM 154 CG GLU 1 11 11.968 -1.046 -6.934 1.00 0.00 C ATOM 155 CD GLU 1 11 11.917 -2.089 -8.033 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.666 -1.714 -9.197 1.00 0.00 O ATOM 157 OE2 GLU 1 11 12.129 -3.282 -7.728 1.00 0.00 O ATOM 0 H GLU 1 11 9.586 2.533 -6.749 1.00 0.00 H new ATOM 0 HA GLU 1 11 9.986 -0.062 -5.420 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.364 -0.102 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.739 0.942 -7.688 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.001 -0.730 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 11.633 -1.493 -5.998 1.00 0.00 H new ATOM 164 N GLN 1 12 11.836 2.674 -5.558 1.00 0.00 N ATOM 165 CA GLN 1 12 12.804 3.447 -4.776 1.00 0.00 C ATOM 166 C GLN 1 12 12.218 3.914 -3.441 1.00 0.00 C ATOM 167 O GLN 1 12 12.081 5.115 -3.203 1.00 0.00 O ATOM 168 CB GLN 1 12 13.297 4.646 -5.580 1.00 0.00 C ATOM 169 CG GLN 1 12 14.667 5.151 -5.152 1.00 0.00 C ATOM 170 CD GLN 1 12 14.728 5.506 -3.679 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.156 6.506 -3.245 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.425 4.685 -2.901 1.00 0.00 N ATOM 0 H GLN 1 12 11.538 3.116 -6.427 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.645 2.789 -4.556 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.334 4.374 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.575 5.457 -5.485 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.415 4.388 -5.368 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.927 6.029 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 15.883 3.867 -3.303 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 15.502 4.872 -1.901 1.00 0.00 H new ATOM 181 N GLY 1 13 11.896 2.952 -2.571 1.00 0.00 N ATOM 182 CA GLY 1 13 11.343 3.250 -1.252 1.00 0.00 C ATOM 183 C GLY 1 13 10.511 4.518 -1.204 1.00 0.00 C ATOM 184 O GLY 1 13 10.543 5.250 -0.214 1.00 0.00 O ATOM 0 H GLY 1 13 12.011 1.956 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.727 2.411 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.161 3.337 -0.537 1.00 0.00 H new ATOM 188 N GLU 1 14 9.767 4.782 -2.270 1.00 0.00 N ATOM 189 CA GLU 1 14 8.929 5.974 -2.333 1.00 0.00 C ATOM 190 C GLU 1 14 7.484 5.648 -1.955 1.00 0.00 C ATOM 191 O GLU 1 14 6.825 6.418 -1.255 1.00 0.00 O ATOM 192 CB GLU 1 14 9.000 6.621 -3.723 1.00 0.00 C ATOM 193 CG GLU 1 14 9.228 5.648 -4.867 1.00 0.00 C ATOM 194 CD GLU 1 14 8.038 4.750 -5.107 1.00 0.00 C ATOM 195 OE1 GLU 1 14 7.095 5.187 -5.800 1.00 0.00 O ATOM 196 OE2 GLU 1 14 8.044 3.609 -4.597 1.00 0.00 O ATOM 0 H GLU 1 14 9.726 4.190 -3.100 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.311 6.692 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.071 7.162 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.804 7.357 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 9.447 6.207 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.103 5.036 -4.650 1.00 0.00 H new ATOM 203 N ASP 1 15 7.006 4.497 -2.411 1.00 0.00 N ATOM 204 CA ASP 1 15 5.646 4.051 -2.117 1.00 0.00 C ATOM 205 C ASP 1 15 4.606 4.979 -2.737 1.00 0.00 C ATOM 206 O ASP 1 15 3.476 5.057 -2.257 1.00 0.00 O ATOM 207 CB ASP 1 15 5.431 3.970 -0.604 1.00 0.00 C ATOM 208 CG ASP 1 15 4.503 2.838 -0.211 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.692 1.712 -0.718 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.587 3.077 0.603 1.00 0.00 O ATOM 0 H ASP 1 15 7.542 3.850 -2.990 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.521 3.061 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.393 3.835 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.019 4.914 -0.247 1.00 0.00 H new ATOM 215 N CYS 1 16 4.998 5.672 -3.806 1.00 0.00 N ATOM 216 CA CYS 1 16 4.116 6.602 -4.516 1.00 0.00 C ATOM 217 C CYS 1 16 4.943 7.631 -5.270 1.00 0.00 C ATOM 218 O CYS 1 16 5.221 8.715 -4.759 1.00 0.00 O ATOM 219 CB CYS 1 16 3.154 7.315 -3.558 1.00 0.00 C ATOM 220 SG CYS 1 16 1.460 6.640 -3.552 1.00 0.00 S ATOM 0 H CYS 1 16 5.934 5.606 -4.205 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.521 6.020 -5.220 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.558 7.258 -2.547 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.111 8.371 -3.825 1.00 0.00 H new ATOM 225 N ASP 1 17 5.341 7.284 -6.486 1.00 0.00 N ATOM 226 CA ASP 1 17 6.147 8.179 -7.300 1.00 0.00 C ATOM 227 C ASP 1 17 5.639 8.236 -8.737 1.00 0.00 C ATOM 228 O ASP 1 17 4.919 7.349 -9.196 1.00 0.00 O ATOM 229 CB ASP 1 17 7.610 7.730 -7.280 1.00 0.00 C ATOM 230 CG ASP 1 17 8.475 8.517 -8.244 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.736 9.708 -7.974 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.886 7.942 -9.274 1.00 0.00 O ATOM 0 H ASP 1 17 5.119 6.392 -6.928 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.068 9.180 -6.876 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.006 7.839 -6.270 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.664 6.671 -7.531 1.00 0.00 H new ATOM 237 N CYS 1 18 6.039 9.288 -9.437 1.00 0.00 N ATOM 238 CA CYS 1 18 5.657 9.487 -10.828 1.00 0.00 C ATOM 239 C CYS 1 18 6.894 9.752 -11.682 1.00 0.00 C ATOM 240 O CYS 1 18 7.766 10.533 -11.301 1.00 0.00 O ATOM 241 CB CYS 1 18 4.683 10.660 -10.959 1.00 0.00 C ATOM 242 SG CYS 1 18 3.036 10.357 -10.240 1.00 0.00 S ATOM 0 H CYS 1 18 6.635 10.025 -9.059 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.164 8.580 -11.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.120 11.535 -10.478 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.566 10.902 -12.015 1.00 0.00 H new ATOM 247 N GLY 1 19 6.969 9.100 -12.836 1.00 0.00 N ATOM 248 CA GLY 1 19 8.107 9.285 -13.723 1.00 0.00 C ATOM 249 C GLY 1 19 8.473 10.747 -13.902 1.00 0.00 C ATOM 250 O GLY 1 19 9.648 11.112 -13.849 1.00 0.00 O ATOM 0 H GLY 1 19 6.263 8.446 -13.175 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.966 8.745 -13.324 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.880 8.849 -14.696 1.00 0.00 H new ATOM 254 N SER 1 20 7.463 11.586 -14.110 1.00 0.00 N ATOM 255 CA SER 1 20 7.680 13.017 -14.290 1.00 0.00 C ATOM 256 C SER 1 20 6.621 13.827 -13.541 1.00 0.00 C ATOM 257 O SER 1 20 5.424 13.650 -13.767 1.00 0.00 O ATOM 258 CB SER 1 20 7.651 13.373 -15.778 1.00 0.00 C ATOM 259 OG SER 1 20 8.578 14.404 -16.074 1.00 0.00 O ATOM 0 H SER 1 20 6.485 11.299 -14.158 1.00 0.00 H new ATOM 0 HA SER 1 20 8.659 13.266 -13.881 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.884 12.489 -16.371 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.647 13.690 -16.060 1.00 0.00 H new ATOM 0 HG SER 1 20 8.541 14.612 -17.031 1.00 0.00 H new ATOM 265 N PRO 1 21 7.042 14.731 -12.634 1.00 0.00 N ATOM 266 CA PRO 1 21 6.115 15.563 -11.860 1.00 0.00 C ATOM 267 C PRO 1 21 5.027 16.191 -12.727 1.00 0.00 C ATOM 268 O PRO 1 21 3.926 16.470 -12.253 1.00 0.00 O ATOM 269 CB PRO 1 21 7.021 16.645 -11.276 1.00 0.00 C ATOM 270 CG PRO 1 21 8.353 15.992 -11.151 1.00 0.00 C ATOM 271 CD PRO 1 21 8.451 15.013 -12.291 1.00 0.00 C ATOM 0 HA PRO 1 21 5.577 14.983 -11.111 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.067 17.518 -11.927 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.655 16.988 -10.308 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.154 16.729 -11.202 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.448 15.483 -10.192 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 8.992 15.437 -13.137 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 8.980 14.107 -11.996 1.00 0.00 H new ATOM 279 N ALA 1 22 5.341 16.407 -14.001 1.00 0.00 N ATOM 280 CA ALA 1 22 4.389 16.998 -14.933 1.00 0.00 C ATOM 281 C ALA 1 22 3.469 15.933 -15.518 1.00 0.00 C ATOM 282 O ALA 1 22 2.325 16.212 -15.876 1.00 0.00 O ATOM 283 CB ALA 1 22 5.124 17.732 -16.045 1.00 0.00 C ATOM 0 H ALA 1 22 6.247 16.181 -14.411 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.776 17.714 -14.386 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.400 18.168 -16.733 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.738 18.523 -15.615 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 5.761 17.031 -16.584 1.00 0.00 H new ATOM 289 N ASN 1 23 3.976 14.707 -15.603 1.00 0.00 N ATOM 290 CA ASN 1 23 3.203 13.593 -16.133 1.00 0.00 C ATOM 291 C ASN 1 23 2.792 12.643 -15.012 1.00 0.00 C ATOM 292 O ASN 1 23 2.507 11.469 -15.250 1.00 0.00 O ATOM 293 CB ASN 1 23 4.013 12.838 -17.189 1.00 0.00 C ATOM 294 CG ASN 1 23 3.200 11.763 -17.883 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.623 10.610 -17.975 1.00 0.00 O ATOM 296 ND2 ASN 1 23 2.026 12.136 -18.378 1.00 0.00 N ATOM 0 H ASN 1 23 4.922 14.461 -15.310 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.302 13.993 -16.598 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.385 13.544 -17.931 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.884 12.383 -16.718 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 1.435 11.456 -18.857 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 1.715 13.102 -18.279 1.00 0.00 H new ATOM 303 N CYS 1 24 2.770 13.160 -13.788 1.00 0.00 N ATOM 304 CA CYS 1 24 2.403 12.367 -12.626 1.00 0.00 C ATOM 305 C CYS 1 24 0.951 11.922 -12.706 1.00 0.00 C ATOM 306 O CYS 1 24 0.058 12.565 -12.154 1.00 0.00 O ATOM 307 CB CYS 1 24 2.638 13.166 -11.345 1.00 0.00 C ATOM 308 SG CYS 1 24 2.348 12.221 -9.813 1.00 0.00 S ATOM 0 H CYS 1 24 3.004 14.130 -13.577 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.032 11.477 -12.611 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.664 13.535 -11.343 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 1.985 14.039 -11.349 1.00 0.00 H new ATOM 313 N GLN 1 25 0.725 10.812 -13.397 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.619 10.266 -13.555 1.00 0.00 C ATOM 315 C GLN 1 25 -1.020 9.432 -12.339 1.00 0.00 C ATOM 316 O GLN 1 25 -1.524 8.317 -12.476 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.697 9.413 -14.823 1.00 0.00 C ATOM 318 CG GLN 1 25 0.189 8.178 -14.781 1.00 0.00 C ATOM 319 CD GLN 1 25 0.705 7.785 -16.151 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.070 7.012 -16.869 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.864 8.316 -16.522 1.00 0.00 N ATOM 0 H GLN 1 25 1.456 10.270 -13.858 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.315 11.101 -13.641 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.730 9.103 -14.980 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.414 10.024 -15.680 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.034 8.364 -14.118 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.373 7.346 -14.356 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.357 8.952 -15.896 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.261 8.088 -17.433 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.800 9.983 -11.149 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.143 9.299 -9.909 1.00 0.00 C ATOM 332 C ASP 1 26 -1.604 10.307 -8.863 1.00 0.00 C ATOM 333 O ASP 1 26 -0.789 10.919 -8.173 1.00 0.00 O ATOM 334 CB ASP 1 26 0.057 8.509 -9.386 1.00 0.00 C ATOM 335 CG ASP 1 26 0.656 7.601 -10.441 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.096 6.792 -11.024 1.00 0.00 O ATOM 337 OD2 ASP 1 26 1.877 7.698 -10.685 1.00 0.00 O ATOM 0 H ASP 1 26 -0.384 10.905 -11.018 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.957 8.603 -10.110 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.819 9.203 -9.033 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.251 7.911 -8.528 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.915 10.480 -8.759 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.489 11.422 -7.806 1.00 0.00 C ATOM 344 C ARG 1 27 -3.176 11.021 -6.367 1.00 0.00 C ATOM 345 O ARG 1 27 -3.204 11.856 -5.463 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.000 11.518 -8.012 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.753 10.256 -7.622 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.239 10.375 -7.922 1.00 0.00 C ATOM 349 NE ARG 1 27 -7.499 10.548 -9.349 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.518 11.728 -9.966 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.291 12.847 -9.289 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -7.765 11.790 -11.268 1.00 0.00 N ATOM 0 H ARG 1 27 -3.602 9.980 -9.323 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.039 12.399 -7.984 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.385 12.355 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.201 11.741 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.340 9.404 -8.161 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.610 10.060 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.753 9.482 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.653 11.221 -7.373 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.677 9.713 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.100 12.808 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.308 13.746 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -7.940 10.935 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.780 12.693 -11.742 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.878 9.742 -6.157 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.563 9.245 -4.823 1.00 0.00 C ATOM 368 C CYS 1 28 -1.054 9.081 -4.629 1.00 0.00 C ATOM 369 O CYS 1 28 -0.600 8.696 -3.552 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.273 7.912 -4.572 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.883 8.078 -3.731 1.00 0.00 S ATOM 0 H CYS 1 28 -2.848 9.034 -6.891 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.917 9.981 -4.101 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.423 7.406 -5.526 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.625 7.274 -3.972 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.279 9.379 -5.672 1.00 0.00 N ATOM 377 CA CYS 1 29 1.175 9.266 -5.604 1.00 0.00 C ATOM 378 C CYS 1 29 1.842 10.466 -6.268 1.00 0.00 C ATOM 379 O CYS 1 29 1.556 10.786 -7.420 1.00 0.00 O ATOM 380 CB CYS 1 29 1.640 7.976 -6.278 1.00 0.00 C ATOM 381 SG CYS 1 29 0.984 6.458 -5.518 1.00 0.00 S ATOM 0 H CYS 1 29 -0.635 9.700 -6.572 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.464 9.243 -4.553 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.345 8.001 -7.327 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.729 7.939 -6.254 1.00 0.00 H new ATOM 386 N ASN 1 30 2.729 11.130 -5.534 1.00 0.00 N ATOM 387 CA ASN 1 30 3.430 12.299 -6.057 1.00 0.00 C ATOM 388 C ASN 1 30 4.920 12.022 -6.239 1.00 0.00 C ATOM 389 O ASN 1 30 5.585 11.504 -5.335 1.00 0.00 O ATOM 390 CB ASN 1 30 3.226 13.494 -5.123 1.00 0.00 C ATOM 391 CG ASN 1 30 3.936 14.743 -5.610 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.838 15.111 -6.780 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.658 15.400 -4.710 1.00 0.00 N ATOM 0 H ASN 1 30 2.980 10.880 -4.577 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.012 12.531 -7.036 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.160 13.700 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.590 13.239 -4.128 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.160 16.247 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.711 15.058 -3.750 1.00 0.00 H new ATOM 400 N ALA 1 31 5.435 12.382 -7.417 1.00 0.00 N ATOM 401 CA ALA 1 31 6.847 12.194 -7.737 1.00 0.00 C ATOM 402 C ALA 1 31 7.712 13.180 -6.968 1.00 0.00 C ATOM 403 O ALA 1 31 8.757 12.821 -6.426 1.00 0.00 O ATOM 404 CB ALA 1 31 7.076 12.370 -9.229 1.00 0.00 C ATOM 0 H ALA 1 31 4.890 12.807 -8.167 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.128 11.182 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.133 12.227 -9.454 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.486 11.635 -9.777 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.774 13.374 -9.528 1.00 0.00 H new ATOM 410 N ALA 1 32 7.264 14.430 -6.929 1.00 0.00 N ATOM 411 CA ALA 1 32 7.987 15.488 -6.232 1.00 0.00 C ATOM 412 C ALA 1 32 8.291 15.100 -4.787 1.00 0.00 C ATOM 413 O ALA 1 32 9.171 15.682 -4.153 1.00 0.00 O ATOM 414 CB ALA 1 32 7.188 16.782 -6.273 1.00 0.00 C ATOM 0 H ALA 1 32 6.399 14.737 -7.374 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.938 15.637 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.737 17.565 -5.750 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.031 17.080 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.223 16.630 -5.789 1.00 0.00 H new ATOM 420 N THR 1 33 7.559 14.118 -4.271 1.00 0.00 N ATOM 421 CA THR 1 33 7.754 13.661 -2.904 1.00 0.00 C ATOM 422 C THR 1 33 8.126 12.186 -2.875 1.00 0.00 C ATOM 423 O THR 1 33 8.725 11.706 -1.913 1.00 0.00 O ATOM 424 CB THR 1 33 6.476 13.879 -2.089 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.732 13.726 -0.704 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.357 12.921 -2.458 1.00 0.00 C ATOM 0 H THR 1 33 6.826 13.625 -4.781 1.00 0.00 H new ATOM 0 HA THR 1 33 8.569 14.238 -2.467 1.00 0.00 H new ATOM 0 HB THR 1 33 6.155 14.894 -2.322 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.904 13.871 -0.200 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.481 13.130 -1.843 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.101 13.049 -3.510 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.684 11.896 -2.286 1.00 0.00 H new ATOM 434 N CYS 1 34 7.738 11.464 -3.920 1.00 0.00 N ATOM 435 CA CYS 1 34 8.002 10.040 -3.991 1.00 0.00 C ATOM 436 C CYS 1 34 7.287 9.353 -2.837 1.00 0.00 C ATOM 437 O CYS 1 34 7.829 8.466 -2.181 1.00 0.00 O ATOM 438 CB CYS 1 34 9.509 9.764 -3.951 1.00 0.00 C ATOM 439 SG CYS 1 34 10.192 9.161 -5.531 1.00 0.00 S ATOM 0 H CYS 1 34 7.241 11.844 -4.726 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.627 9.643 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.029 10.679 -3.668 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.713 9.028 -3.174 1.00 0.00 H new ATOM 444 N LYS 1 35 6.055 9.795 -2.597 1.00 0.00 N ATOM 445 CA LYS 1 35 5.231 9.254 -1.522 1.00 0.00 C ATOM 446 C LYS 1 35 3.758 9.566 -1.768 1.00 0.00 C ATOM 447 O LYS 1 35 3.418 10.331 -2.671 1.00 0.00 O ATOM 448 CB LYS 1 35 5.658 9.836 -0.172 1.00 0.00 C ATOM 449 CG LYS 1 35 7.138 9.673 0.128 1.00 0.00 C ATOM 450 CD LYS 1 35 7.468 10.107 1.546 1.00 0.00 C ATOM 451 CE LYS 1 35 7.539 11.621 1.663 1.00 0.00 C ATOM 452 NZ LYS 1 35 8.797 12.165 1.080 1.00 0.00 N ATOM 0 H LYS 1 35 5.603 10.532 -3.138 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.369 8.173 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.407 10.897 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 5.082 9.355 0.619 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.426 8.631 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.721 10.263 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.711 9.723 2.230 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.421 9.673 1.848 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 6.682 12.065 1.156 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.472 11.908 2.713 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 8.879 13.175 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.612 11.652 1.472 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.780 12.049 0.047 1.00 0.00 H new ATOM 466 N LEU 1 36 2.888 8.969 -0.961 1.00 0.00 N ATOM 467 CA LEU 1 36 1.451 9.182 -1.091 1.00 0.00 C ATOM 468 C LEU 1 36 1.104 10.662 -0.953 1.00 0.00 C ATOM 469 O LEU 1 36 1.565 11.336 -0.032 1.00 0.00 O ATOM 470 CB LEU 1 36 0.695 8.370 -0.038 1.00 0.00 C ATOM 471 CG LEU 1 36 0.615 6.867 -0.311 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.602 6.087 0.994 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.618 6.542 -1.141 1.00 0.00 C ATOM 0 H LEU 1 36 3.153 8.333 -0.209 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.149 8.847 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.174 8.523 0.929 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.318 8.763 0.043 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.499 6.572 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.545 5.020 0.779 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.514 6.297 1.552 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.263 6.385 1.587 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.659 5.469 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.512 6.852 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.567 7.072 -2.092 1.00 0.00 H new ATOM 485 N THR 1 37 0.287 11.160 -1.876 1.00 0.00 N ATOM 486 CA THR 1 37 -0.124 12.560 -1.860 1.00 0.00 C ATOM 487 C THR 1 37 -1.193 12.799 -0.795 1.00 0.00 C ATOM 488 O THR 1 37 -1.781 11.852 -0.273 1.00 0.00 O ATOM 489 CB THR 1 37 -0.656 12.974 -3.235 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.998 12.550 -3.402 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.149 12.410 -4.387 1.00 0.00 C ATOM 0 H THR 1 37 -0.104 10.615 -2.645 1.00 0.00 H new ATOM 0 HA THR 1 37 0.748 13.167 -1.619 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.578 14.061 -3.257 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.204 12.486 -4.358 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.283 12.743 -5.331 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.179 12.759 -4.317 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.132 11.321 -4.344 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.461 14.073 -0.458 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.466 14.427 0.549 1.00 0.00 C ATOM 501 C PRO 1 38 -3.809 13.757 0.283 1.00 0.00 C ATOM 502 O PRO 1 38 -4.453 14.014 -0.734 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.587 15.946 0.412 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.272 16.381 -0.134 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.809 15.267 -1.031 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.177 14.099 1.548 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.404 16.220 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.791 16.416 1.374 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.369 17.314 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.556 16.560 0.668 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.111 15.432 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.277 15.173 -1.027 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.224 12.893 1.203 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.487 12.194 1.050 1.00 0.00 C ATOM 515 C GLY 1 39 -5.307 10.773 0.548 1.00 0.00 C ATOM 516 O GLY 1 39 -6.260 10.150 0.079 1.00 0.00 O ATOM 0 H GLY 1 39 -3.708 12.664 2.053 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.006 12.174 2.008 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.121 12.744 0.355 1.00 0.00 H new ATOM 520 N SER 1 40 -4.084 10.259 0.647 1.00 0.00 N ATOM 521 CA SER 1 40 -3.785 8.904 0.200 1.00 0.00 C ATOM 522 C SER 1 40 -2.937 8.170 1.233 1.00 0.00 C ATOM 523 O SER 1 40 -1.862 8.634 1.610 1.00 0.00 O ATOM 524 CB SER 1 40 -3.056 8.938 -1.144 1.00 0.00 C ATOM 525 OG SER 1 40 -3.546 9.985 -1.964 1.00 0.00 O ATOM 0 H SER 1 40 -3.285 10.761 1.033 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.727 8.369 0.080 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.987 9.072 -0.978 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.182 7.983 -1.654 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.318 9.665 -2.476 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.430 7.024 1.691 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.715 6.231 2.685 1.00 0.00 C ATOM 533 C GLN 1 41 -2.252 4.899 2.102 1.00 0.00 C ATOM 534 O GLN 1 41 -1.237 4.346 2.525 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.606 5.983 3.904 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.822 7.219 4.761 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.850 6.903 6.243 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.886 7.163 6.963 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.959 6.338 6.707 1.00 0.00 N ATOM 0 H GLN 1 41 -4.319 6.624 1.391 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.833 6.794 2.991 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.574 5.611 3.567 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -3.160 5.200 4.517 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.028 7.938 4.562 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.761 7.694 4.477 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.734 6.140 6.074 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.036 6.102 7.696 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.004 4.384 1.134 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.670 3.112 0.504 1.00 0.00 C ATOM 550 C CYS 1 42 -2.974 3.130 -0.989 1.00 0.00 C ATOM 551 O CYS 1 42 -4.123 2.974 -1.401 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.437 1.979 1.173 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.419 0.501 1.483 1.00 0.00 S ATOM 0 H CYS 1 42 -3.847 4.827 0.770 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.599 2.951 0.629 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.845 2.335 2.119 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.284 1.703 0.545 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.934 3.307 -1.795 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.085 3.328 -3.245 1.00 0.00 C ATOM 560 C ASN 1 43 -1.557 2.036 -3.866 1.00 0.00 C ATOM 561 O ASN 1 43 -1.506 1.901 -5.088 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.348 4.527 -3.841 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.641 4.703 -5.318 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.624 5.340 -5.697 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.786 4.137 -6.162 1.00 0.00 N ATOM 0 H ASN 1 43 -0.976 3.438 -1.469 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.148 3.414 -3.471 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.636 5.431 -3.305 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.275 4.400 -3.698 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.931 4.221 -7.168 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.016 3.618 -5.804 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.166 1.088 -3.017 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.642 -0.192 -3.484 1.00 0.00 C ATOM 574 C TYR 1 44 -0.262 -1.066 -2.291 1.00 0.00 C ATOM 575 O TYR 1 44 0.595 -0.699 -1.486 1.00 0.00 O ATOM 576 CB TYR 1 44 0.556 0.030 -4.424 1.00 0.00 C ATOM 577 CG TYR 1 44 1.878 -0.475 -3.889 1.00 0.00 C ATOM 578 CD1 TYR 1 44 2.116 -1.836 -3.753 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.882 0.408 -3.519 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.316 -2.303 -3.262 1.00 0.00 C ATOM 581 CE2 TYR 1 44 4.088 -0.050 -3.027 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.300 -1.408 -2.899 1.00 0.00 C ATOM 583 OH TYR 1 44 5.500 -1.870 -2.409 1.00 0.00 O ATOM 0 H TYR 1 44 -1.202 1.183 -2.002 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.415 -0.711 -4.051 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.352 -0.463 -5.374 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.646 1.096 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.348 -2.540 -4.037 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.718 1.471 -3.617 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.485 -3.365 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.861 0.650 -2.744 1.00 0.00 H new ATOM 0 HH TYR 1 44 6.083 -1.110 -2.202 1.00 0.00 H new ATOM 593 N GLY 1 45 -0.923 -2.211 -2.171 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.665 -3.109 -1.061 1.00 0.00 C ATOM 595 C GLY 1 45 -1.909 -3.872 -0.638 1.00 0.00 C ATOM 596 O GLY 1 45 -3.019 -3.548 -1.061 1.00 0.00 O ATOM 0 H GLY 1 45 -1.636 -2.535 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 0.115 -3.817 -1.342 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.286 -2.537 -0.214 1.00 0.00 H new ATOM 600 N GLU 1 46 -1.721 -4.893 0.190 1.00 0.00 N ATOM 601 CA GLU 1 46 -2.826 -5.723 0.663 1.00 0.00 C ATOM 602 C GLU 1 46 -3.895 -4.913 1.392 1.00 0.00 C ATOM 603 O GLU 1 46 -5.091 -5.107 1.173 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.289 -6.805 1.599 1.00 0.00 C ATOM 605 CG GLU 1 46 -1.935 -8.103 0.892 1.00 0.00 C ATOM 606 CD GLU 1 46 -0.982 -7.894 -0.269 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.325 -7.119 -1.186 1.00 0.00 O ATOM 608 OE2 GLU 1 46 0.107 -8.506 -0.261 1.00 0.00 O ATOM 0 H GLU 1 46 -0.807 -5.168 0.551 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.293 -6.171 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.403 -6.426 2.108 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.034 -7.011 2.367 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.485 -8.791 1.608 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -2.848 -8.575 0.528 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.460 -4.035 2.284 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.379 -3.227 3.080 1.00 0.00 C ATOM 617 C CYS 1 47 -5.029 -2.100 2.277 1.00 0.00 C ATOM 618 O CYS 1 47 -6.001 -1.499 2.731 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.634 -2.640 4.277 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.748 -3.649 5.785 1.00 0.00 S ATOM 0 H CYS 1 47 -2.473 -3.862 2.477 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.181 -3.886 3.412 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.584 -2.516 4.013 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.029 -1.646 4.486 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.489 -1.792 1.106 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.030 -0.709 0.292 1.00 0.00 C ATOM 627 C CYS 1 48 -6.410 -1.027 -0.267 1.00 0.00 C ATOM 628 O CYS 1 48 -6.709 -2.162 -0.637 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.067 -0.370 -0.841 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.330 -0.379 -0.328 1.00 0.00 S ATOM 0 H CYS 1 48 -3.685 -2.270 0.700 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.144 0.155 0.946 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.203 -1.086 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.316 0.614 -1.239 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.239 0.009 -0.320 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.599 -0.096 -0.827 1.00 0.00 C ATOM 637 C ASP 1 49 -9.209 1.296 -0.949 1.00 0.00 C ATOM 638 O ASP 1 49 -9.431 1.976 0.053 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.452 -0.966 0.099 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.433 -1.834 -0.664 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.985 -2.613 -1.531 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.648 -1.735 -0.393 1.00 0.00 O ATOM 0 H ASP 1 49 -6.985 0.947 -0.011 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.573 -0.565 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -8.800 -1.601 0.699 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.999 -0.326 0.791 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.460 1.726 -2.181 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.026 3.049 -2.428 1.00 0.00 C ATOM 649 C GLN 1 50 -9.035 4.139 -2.022 1.00 0.00 C ATOM 650 O GLN 1 50 -9.429 5.227 -1.600 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.344 3.220 -1.664 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.576 3.085 -2.543 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.839 2.833 -1.742 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.631 1.951 -2.072 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.032 3.610 -0.682 1.00 0.00 N ATOM 0 H GLN 1 50 -9.281 1.179 -3.023 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.228 3.142 -3.495 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.392 2.477 -0.868 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.354 4.200 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.699 3.994 -3.132 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.427 2.266 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.348 4.329 -0.446 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.864 3.487 -0.104 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.746 3.835 -2.158 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.686 4.779 -1.812 1.00 0.00 C ATOM 666 C CYS 1 51 -6.640 5.041 -0.307 1.00 0.00 C ATOM 667 O CYS 1 51 -6.153 6.081 0.136 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.870 6.097 -2.571 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.775 6.277 -4.018 1.00 0.00 S ATOM 0 H CYS 1 51 -7.409 2.938 -2.507 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.737 4.330 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.906 6.173 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.691 6.927 -1.887 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.143 4.089 0.475 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.150 4.218 1.930 1.00 0.00 C ATOM 676 C ARG 1 52 -6.894 2.866 2.588 1.00 0.00 C ATOM 677 O ARG 1 52 -7.290 1.827 2.059 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.487 4.788 2.407 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.351 5.783 3.548 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.571 7.016 3.123 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.632 8.076 4.126 1.00 0.00 N ATOM 682 CZ ARG 1 52 -6.826 9.136 4.134 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -5.897 9.280 3.197 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.949 10.054 5.083 1.00 0.00 N ATOM 0 H ARG 1 52 -7.550 3.221 0.126 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.352 4.903 2.218 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.985 5.275 1.569 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.129 3.967 2.726 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -9.341 6.079 3.894 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.849 5.306 4.390 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.530 6.744 2.947 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.968 7.388 2.178 1.00 0.00 H new ATOM 0 HE ARG 1 52 -8.333 8.000 4.863 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -5.797 8.576 2.465 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -5.283 10.094 3.209 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.661 9.948 5.806 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -6.332 10.866 5.090 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.227 2.878 3.741 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.927 1.639 4.449 1.00 0.00 C ATOM 700 C PHE 1 53 -7.201 0.905 4.820 1.00 0.00 C ATOM 701 O PHE 1 53 -8.196 1.516 5.210 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.100 1.901 5.711 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.679 2.286 5.426 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.022 1.776 4.321 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.998 3.155 6.263 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.720 2.121 4.052 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.688 3.505 6.000 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.047 2.987 4.891 1.00 0.00 C ATOM 0 H PHE 1 53 -5.888 3.724 4.199 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.341 1.017 3.773 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.574 2.695 6.288 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.108 1.006 6.333 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.540 1.097 3.660 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.497 3.563 7.130 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.222 1.715 3.184 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.166 4.182 6.660 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.023 3.259 4.681 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.158 -0.411 4.700 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.308 -1.236 5.029 1.00 0.00 C ATOM 720 C LYS 1 54 -8.584 -1.184 6.526 1.00 0.00 C ATOM 721 O LYS 1 54 -7.896 -1.830 7.312 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.073 -2.679 4.580 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.830 -3.047 3.316 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.026 -3.993 2.438 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.674 -4.167 1.075 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.538 -5.560 0.568 1.00 0.00 N ATOM 0 H LYS 1 54 -6.341 -0.930 4.378 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.179 -0.847 4.501 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.007 -2.831 4.413 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.370 -3.354 5.382 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.778 -3.514 3.582 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.066 -2.142 2.756 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.014 -3.607 2.315 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -7.940 -4.963 2.928 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.730 -3.906 1.140 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.218 -3.477 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.993 -5.636 -0.364 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.530 -5.801 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -8.996 -6.217 1.232 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.592 -0.400 6.912 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.965 -0.246 8.321 1.00 0.00 C ATOM 742 C LYS 1 55 -9.659 -1.509 9.119 1.00 0.00 C ATOM 743 O LYS 1 55 -10.073 -2.609 8.742 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.451 0.096 8.440 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.896 0.388 9.863 1.00 0.00 C ATOM 746 CD LYS 1 55 -13.326 0.902 9.906 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.969 0.649 11.259 1.00 0.00 C ATOM 748 NZ LYS 1 55 -13.617 1.705 12.248 1.00 0.00 N ATOM 0 H LYS 1 55 -10.167 0.141 6.266 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.372 0.569 8.735 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.667 0.963 7.816 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.039 -0.734 8.047 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.816 -0.518 10.463 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.230 1.126 10.309 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.336 1.971 9.692 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.912 0.415 9.127 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -15.052 0.606 11.144 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -13.650 -0.323 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -14.075 1.495 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.585 1.729 12.378 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.944 2.629 11.900 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.919 -1.348 10.216 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.548 -2.478 11.058 1.00 0.00 C ATOM 764 C ALA 1 56 -9.709 -3.445 11.210 1.00 0.00 C ATOM 765 O ALA 1 56 -10.826 -3.045 11.538 1.00 0.00 O ATOM 766 CB ALA 1 56 -8.083 -2.011 12.423 1.00 0.00 C ATOM 0 H ALA 1 56 -8.567 -0.447 10.539 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.723 -2.995 10.568 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.813 -2.875 13.030 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.215 -1.361 12.309 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.886 -1.461 12.912 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.445 -4.712 10.948 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.489 -5.711 11.038 1.00 0.00 C ATOM 774 C GLY 1 57 -10.780 -6.336 9.691 1.00 0.00 C ATOM 775 O GLY 1 57 -11.464 -7.355 9.605 1.00 0.00 O ATOM 0 H GLY 1 57 -8.529 -5.068 10.675 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.191 -6.487 11.743 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.397 -5.255 11.432 1.00 0.00 H new ATOM 779 N THR 1 58 -10.243 -5.728 8.635 1.00 0.00 N ATOM 780 CA THR 1 58 -10.426 -6.240 7.287 1.00 0.00 C ATOM 781 C THR 1 58 -9.501 -7.428 7.054 1.00 0.00 C ATOM 782 O THR 1 58 -8.279 -7.281 7.060 1.00 0.00 O ATOM 783 CB THR 1 58 -10.134 -5.147 6.259 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.025 -4.057 6.416 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.245 -5.632 4.833 1.00 0.00 C ATOM 0 H THR 1 58 -9.678 -4.880 8.691 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.461 -6.562 7.173 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.105 -4.840 6.444 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.766 -3.533 7.203 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.026 -4.810 4.151 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.533 -6.440 4.667 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.256 -5.996 4.650 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.082 -8.605 6.860 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.290 -9.806 6.642 1.00 0.00 C ATOM 795 C VAL 1 59 -8.677 -9.824 5.245 1.00 0.00 C ATOM 796 O VAL 1 59 -9.392 -9.830 4.243 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.128 -11.086 6.837 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.266 -11.142 5.828 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.249 -12.325 6.732 1.00 0.00 C ATOM 0 H VAL 1 59 -11.091 -8.752 6.849 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.493 -9.787 7.385 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.562 -11.062 7.837 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.845 -12.053 5.983 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -11.912 -10.274 5.960 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -10.857 -11.139 4.818 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.859 -13.217 6.873 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.781 -12.357 5.748 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.477 -12.289 7.500 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.349 -9.840 5.186 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.646 -9.865 3.904 1.00 0.00 C ATOM 811 C CYS 1 60 -6.130 -11.266 3.579 1.00 0.00 C ATOM 812 O CYS 1 60 -5.928 -11.607 2.413 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.475 -8.885 3.910 1.00 0.00 C ATOM 814 SG CYS 1 60 -5.917 -7.193 4.412 1.00 0.00 S ATOM 0 H CYS 1 60 -6.740 -9.836 6.004 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.362 -9.569 3.137 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.705 -9.262 4.583 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.038 -8.853 2.912 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.903 -12.067 4.614 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.392 -13.425 4.434 1.00 0.00 C ATOM 821 C ARG 1 61 -5.982 -14.384 5.466 1.00 0.00 C ATOM 822 O ARG 1 61 -6.806 -13.997 6.294 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.861 -13.435 4.534 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.168 -14.122 3.367 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.678 -14.299 3.629 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.145 -13.248 4.490 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.988 -11.984 4.109 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.240 -11.624 2.857 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.577 -11.076 4.983 1.00 0.00 N ATOM 0 H ARG 1 61 -6.064 -11.802 5.586 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.693 -13.763 3.442 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.505 -12.407 4.600 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.571 -13.933 5.459 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.626 -15.096 3.192 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.312 -13.535 2.460 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.504 -15.270 4.093 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.141 -14.298 2.681 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.877 -13.498 5.442 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.556 -12.319 2.180 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.118 -10.653 2.571 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.382 -11.347 5.947 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.456 -10.106 4.692 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.541 -15.634 5.408 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.000 -16.661 6.330 1.00 0.00 C ATOM 845 C ILE 1 62 -5.284 -17.975 6.050 1.00 0.00 C ATOM 846 O ILE 1 62 -5.146 -18.388 4.898 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.525 -16.869 6.247 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.964 -18.037 7.135 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.953 -17.101 4.807 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.666 -17.825 8.604 1.00 0.00 C ATOM 0 H ILE 1 62 -4.859 -15.962 4.724 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.764 -16.323 7.339 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.013 -15.965 6.610 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.035 -18.196 7.009 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -7.465 -18.946 6.799 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.033 -17.246 4.767 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.680 -16.236 4.203 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.453 -17.988 4.417 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.004 -18.691 9.173 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -6.593 -17.696 8.743 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.187 -16.935 8.956 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.819 -18.617 7.109 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.100 -19.877 6.981 1.00 0.00 C ATOM 864 C ALA 1 63 -5.002 -20.982 6.435 1.00 0.00 C ATOM 865 O ALA 1 63 -5.019 -21.233 5.230 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.478 -20.275 8.314 1.00 0.00 C ATOM 0 H ALA 1 63 -4.926 -18.287 8.068 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.295 -19.735 6.260 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.945 -21.219 8.199 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.781 -19.501 8.636 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.263 -20.390 9.062 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.749 -21.640 7.316 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.644 -22.716 6.900 1.00 0.00 C ATOM 874 C ARG 1 64 -7.733 -22.966 7.937 1.00 0.00 C ATOM 875 O ARG 1 64 -7.785 -24.031 8.554 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.854 -24.006 6.662 1.00 0.00 C ATOM 877 CG ARG 1 64 -5.016 -23.987 5.394 1.00 0.00 C ATOM 878 CD ARG 1 64 -3.602 -23.502 5.670 1.00 0.00 C ATOM 879 NE ARG 1 64 -2.637 -24.599 5.672 1.00 0.00 N ATOM 880 CZ ARG 1 64 -2.329 -25.317 4.595 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -2.907 -25.058 3.428 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -1.440 -26.297 4.684 1.00 0.00 N ATOM 0 H ARG 1 64 -5.753 -21.449 8.318 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.120 -22.406 5.970 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.200 -24.183 7.516 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.550 -24.844 6.614 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.981 -24.988 4.964 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -5.487 -23.339 4.655 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -3.316 -22.769 4.915 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.575 -22.994 6.634 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.172 -24.828 6.551 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -3.591 -24.305 3.354 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -2.667 -25.612 2.606 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -0.993 -26.500 5.578 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -1.204 -26.848 3.859 1.00 0.00 H new ATOM 896 N GLY 1 65 -8.607 -21.985 8.122 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.683 -22.132 9.081 1.00 0.00 C ATOM 898 C GLY 1 65 -10.037 -20.833 9.773 1.00 0.00 C ATOM 899 O GLY 1 65 -10.551 -19.904 9.149 1.00 0.00 O ATOM 0 H GLY 1 65 -8.590 -21.093 7.627 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.566 -22.519 8.572 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.397 -22.871 9.830 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.763 -20.774 11.070 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.055 -19.586 11.863 1.00 0.00 C ATOM 905 C ASP 1 66 -9.388 -19.673 13.231 1.00 0.00 C ATOM 906 O ASP 1 66 -9.991 -20.132 14.202 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.565 -19.412 12.027 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.175 -18.575 10.919 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.426 -17.817 10.267 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.401 -18.676 10.705 1.00 0.00 O ATOM 0 H ASP 1 66 -9.338 -21.537 11.597 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.655 -18.719 11.336 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.041 -20.392 12.042 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.771 -18.942 12.989 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.139 -19.231 13.296 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.373 -19.254 14.538 1.00 0.00 C ATOM 917 C TRP 1 67 -6.954 -17.844 14.923 1.00 0.00 C ATOM 918 O TRP 1 67 -7.440 -17.276 15.901 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.129 -20.139 14.377 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.922 -20.628 12.973 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.514 -19.894 11.894 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.127 -21.959 12.497 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.462 -20.688 10.778 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.828 -21.963 11.123 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -6.533 -23.149 13.102 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.924 -23.112 10.344 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -6.628 -24.291 12.329 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.324 -24.265 10.962 1.00 0.00 C ATOM 0 H TRP 1 67 -7.631 -18.850 12.498 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.003 -19.666 15.327 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.249 -19.577 14.691 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.214 -20.997 15.044 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.269 -18.843 11.918 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.195 -20.380 9.843 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.769 -23.177 14.156 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -5.691 -23.094 9.290 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.942 -25.218 12.786 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.407 -25.174 10.384 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.053 -17.290 14.129 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.553 -15.940 14.348 1.00 0.00 C ATOM 941 C ASN 1 68 -6.112 -15.000 13.292 1.00 0.00 C ATOM 942 O ASN 1 68 -6.393 -13.833 13.564 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.027 -15.916 14.290 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.396 -17.145 14.919 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.907 -17.098 16.047 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -3.405 -18.255 14.187 1.00 0.00 N ATOM 0 H ASN 1 68 -5.648 -17.759 13.318 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.875 -15.612 15.336 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.708 -15.841 13.250 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.662 -15.024 14.800 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.995 -19.113 14.557 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.822 -18.249 13.256 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.268 -15.527 12.082 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.793 -14.752 10.969 1.00 0.00 C ATOM 955 C ASP 1 69 -5.890 -13.574 10.643 1.00 0.00 C ATOM 956 O ASP 1 69 -5.232 -13.015 11.521 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.192 -14.241 11.294 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.239 -15.336 11.238 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.347 -16.105 12.216 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.951 -15.425 10.216 1.00 0.00 O ATOM 0 H ASP 1 69 -6.036 -16.493 11.849 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.836 -15.409 10.100 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.190 -13.795 12.289 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.459 -13.452 10.591 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.880 -13.191 9.375 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.079 -12.066 8.924 1.00 0.00 C ATOM 967 C ASP 1 70 -5.951 -10.830 8.823 1.00 0.00 C ATOM 968 O ASP 1 70 -6.969 -10.841 8.134 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.440 -12.381 7.574 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.598 -11.237 7.038 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.947 -10.066 7.293 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.589 -11.513 6.360 1.00 0.00 O ATOM 0 H ASP 1 70 -6.420 -13.646 8.639 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.283 -11.880 9.645 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.817 -13.270 7.671 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.223 -12.618 6.854 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.572 -9.773 9.531 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.368 -8.558 9.526 1.00 0.00 C ATOM 979 C TYR 1 71 -5.544 -7.291 9.400 1.00 0.00 C ATOM 980 O TYR 1 71 -4.445 -7.180 9.944 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.185 -8.487 10.804 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.365 -9.409 10.792 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.464 -9.118 10.010 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.381 -10.564 11.555 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.559 -9.947 9.982 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.468 -11.409 11.538 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.561 -11.098 10.749 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.652 -11.935 10.727 1.00 0.00 O ATOM 0 H TYR 1 71 -4.731 -9.734 10.107 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.008 -8.611 8.645 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.546 -8.733 11.652 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.531 -7.464 10.952 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.463 -8.221 9.408 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.529 -10.806 12.173 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.412 -9.702 9.366 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.467 -12.308 12.136 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.491 -12.698 11.320 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.118 -6.326 8.695 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.488 -5.031 8.502 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.499 -4.245 9.810 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.241 -4.579 10.735 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.229 -4.247 7.419 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.305 -2.817 6.776 1.00 0.00 S ATOM 0 H CYS 1 72 -7.028 -6.419 8.244 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.455 -5.183 8.188 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.460 -4.919 6.592 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.180 -3.900 7.823 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.676 -3.204 9.885 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.599 -2.380 11.087 1.00 0.00 C ATOM 1010 C THR 1 73 -4.927 -0.918 10.784 1.00 0.00 C ATOM 1011 O THR 1 73 -4.727 -0.042 11.625 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.206 -2.486 11.709 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.291 -1.635 11.041 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.641 -3.890 11.668 1.00 0.00 C ATOM 0 H THR 1 73 -4.055 -2.911 9.131 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.340 -2.751 11.795 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.330 -2.190 12.751 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.407 -1.716 11.455 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.651 -3.897 12.125 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.299 -4.563 12.217 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.565 -4.222 10.632 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.436 -0.660 9.581 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.787 0.695 9.193 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.670 1.689 9.447 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.921 2.879 9.635 1.00 0.00 O ATOM 0 H GLY 1 74 -5.612 -1.367 8.867 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.045 0.709 8.134 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.676 1.006 9.742 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.433 1.201 9.457 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.281 2.063 9.696 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.126 1.741 8.746 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.029 2.278 8.898 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.812 1.926 11.146 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.802 2.476 12.159 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.115 2.849 13.463 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.990 2.532 14.664 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -2.991 1.078 14.983 1.00 0.00 N ATOM 0 H LYS 1 75 -3.204 0.219 9.303 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.594 3.090 9.508 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.630 0.873 11.363 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.860 2.444 11.262 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.299 3.353 11.744 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.576 1.733 12.354 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.172 2.309 13.546 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.874 3.912 13.457 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.636 3.093 15.529 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -4.010 2.861 14.467 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -3.600 0.904 15.808 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.353 0.544 14.167 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -2.021 0.769 15.197 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.368 0.869 7.769 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.327 0.501 6.815 1.00 0.00 C ATOM 1053 C SER 1 76 -0.891 -0.315 5.655 1.00 0.00 C ATOM 1054 O SER 1 76 -2.051 -0.730 5.675 1.00 0.00 O ATOM 1055 CB SER 1 76 0.775 -0.293 7.518 1.00 0.00 C ATOM 1056 OG SER 1 76 1.788 0.566 8.011 1.00 0.00 O ATOM 0 H SER 1 76 -2.266 0.409 7.619 1.00 0.00 H new ATOM 0 HA SER 1 76 0.090 1.423 6.409 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.347 -0.865 8.341 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.210 -1.011 6.823 1.00 0.00 H new ATOM 0 HG SER 1 76 1.381 1.388 8.355 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.051 -0.547 4.650 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.441 -1.320 3.474 1.00 0.00 C ATOM 1064 C SER 1 77 -0.172 -2.807 3.683 1.00 0.00 C ATOM 1065 O SER 1 77 -0.224 -3.594 2.738 1.00 0.00 O ATOM 1066 CB SER 1 77 0.320 -0.827 2.242 1.00 0.00 C ATOM 1067 OG SER 1 77 1.661 -1.285 2.254 1.00 0.00 O ATOM 0 H SER 1 77 0.911 -0.208 4.627 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.511 -1.180 3.318 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.179 -1.177 1.338 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.305 0.263 2.213 1.00 0.00 H new ATOM 0 HG SER 1 77 2.126 -0.958 1.455 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.117 -3.187 4.924 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.396 -4.580 5.246 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.702 -5.169 6.122 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.238 -4.497 7.003 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.748 -4.701 5.952 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.891 -4.918 4.979 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.644 -5.473 3.887 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 4.032 -4.534 5.309 1.00 0.00 O ATOM 0 H ASP 1 78 0.164 -2.551 5.720 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.429 -5.142 4.312 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.934 -3.797 6.531 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.713 -5.531 6.658 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.032 -6.428 5.869 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.068 -7.119 6.624 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.488 -8.326 7.363 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.350 -9.403 6.784 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.181 -7.574 5.679 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.820 -6.901 6.093 1.00 0.00 S ATOM 0 H CYS 1 79 -0.594 -6.994 5.142 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.477 -6.428 7.361 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.924 -7.278 4.662 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.232 -8.663 5.691 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.148 -8.172 8.658 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.595 -9.271 9.456 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.501 -10.494 9.414 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.724 -10.362 9.430 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.521 -8.696 10.880 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.348 -7.453 10.854 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.285 -6.940 9.445 1.00 0.00 C ATOM 0 HA PRO 1 80 0.373 -9.607 9.085 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.906 -9.408 11.611 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.509 -8.476 11.161 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.377 -7.663 11.146 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.962 -6.713 11.556 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.184 -6.385 9.176 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.439 -6.268 9.296 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.907 -11.684 9.352 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.694 -12.908 9.296 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.498 -13.780 10.533 1.00 0.00 C ATOM 1112 O TRP 1 81 -1.950 -14.921 10.570 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.402 -13.719 8.028 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.014 -13.686 7.525 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.857 -12.613 7.418 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.726 -14.802 6.999 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.054 -13.008 6.873 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.995 -14.349 6.607 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.406 -16.147 6.831 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.945 -15.196 6.051 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 1.347 -16.989 6.279 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.604 -16.511 5.893 1.00 0.00 C ATOM 0 H TRP 1 81 0.103 -11.824 9.339 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.737 -12.593 9.269 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.673 -14.758 8.217 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.055 -13.358 7.234 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.616 -11.604 7.718 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.855 -12.402 6.696 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.562 -16.523 7.128 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.917 -14.830 5.754 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 1.111 -18.034 6.142 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 3.320 -17.195 5.461 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.842 -13.228 11.547 1.00 0.00 N ATOM 1134 CA ASN 1 82 -0.593 -13.939 12.803 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.272 -15.419 12.577 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.684 -16.277 13.357 1.00 0.00 O ATOM 1137 CB ASN 1 82 -1.805 -13.810 13.727 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.920 -12.427 14.339 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -1.745 -12.253 15.545 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -2.216 -11.435 13.508 1.00 0.00 N ATOM 0 H ASN 1 82 -0.468 -12.279 11.526 1.00 0.00 H new ATOM 0 HA ASN 1 82 0.279 -13.479 13.268 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.712 -14.032 13.165 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -1.733 -14.552 14.522 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -2.307 -10.483 13.862 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.353 -11.625 12.515 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.466 -15.712 11.510 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.838 -17.089 11.197 1.00 0.00 C ATOM 1149 C HIS 1 83 2.323 -17.192 10.866 1.00 0.00 C ATOM 1150 O HIS 1 83 2.917 -16.159 10.491 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.005 -17.616 10.027 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.468 -17.468 10.236 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -2.341 -17.111 9.231 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.222 -17.612 11.352 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -3.566 -17.038 9.720 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.521 -17.339 11.005 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.879 -18.303 10.985 1.00 0.00 O ATOM 0 H HIS 1 83 0.817 -15.018 10.850 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.638 -17.699 12.078 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.291 -17.086 9.119 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.239 -18.669 9.869 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.082 -16.931 8.261 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.867 -17.890 12.333 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -4.454 -16.777 9.163 1.00 0.00 H new