USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=13 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= -2.78! K(o=-15!,f=-11) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -11.9! C(o=-15!,f=-11!) USER MOD Set 2.1: 1 37 THR OG1 : rot 142:sc= -1.82 USER MOD Set 2.2: 1 40 SER OG : rot -99:sc= 0.118 USER MOD Single : 1 7 ASN : amide:sc= -3.24! K(o=-3.2!,f=-1.1) USER MOD Single : 1 8 LYS NZ :NH3+ 176:sc= -0.0204 (180deg=-0.0639) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.13) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -6! K(o=-6!,f=-0.78) USER MOD Single : 1 33 THR OG1 : rot 140:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 41 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : 1 43 ASN : amide:sc= -3.44 K(o=-3.4,f=-2.5) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc=-0.00741 K(o=-0.0074,f=-1.4) USER MOD Single : 1 54 LYS NZ :NH3+ -110:sc= 2.27 (180deg=-1.35) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 1.04 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+ -153:sc= -0.0428 (180deg=-0.307) USER MOD Single : 1 76 SER OG : rot 59:sc= 1.26 USER MOD Single : 1 77 SER OG : rot -44:sc= 1.3 USER MOD Single : 1 82 ASN : amide:sc= -2.99 K(o=-3,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.269 2.115 -10.515 1.00 0.00 N ATOM 29 CA PRO 1 3 14.570 2.430 -9.263 1.00 0.00 C ATOM 30 C PRO 1 3 14.849 3.855 -8.784 1.00 0.00 C ATOM 31 O PRO 1 3 15.362 4.065 -7.684 1.00 0.00 O ATOM 32 CB PRO 1 3 15.129 1.406 -8.262 1.00 0.00 C ATOM 33 CG PRO 1 3 15.864 0.400 -9.080 1.00 0.00 C ATOM 34 CD PRO 1 3 16.334 1.129 -10.299 1.00 0.00 C ATOM 0 HA PRO 1 3 13.488 2.376 -9.381 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.792 1.885 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.326 0.937 -7.693 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 16.705 -0.016 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 15.216 -0.434 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.301 1.606 -10.138 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.446 0.461 -11.153 1.00 0.00 H new ATOM 42 N VAL 1 4 14.505 4.830 -9.620 1.00 0.00 N ATOM 43 CA VAL 1 4 14.711 6.238 -9.297 1.00 0.00 C ATOM 44 C VAL 1 4 13.393 7.002 -9.294 1.00 0.00 C ATOM 45 O VAL 1 4 12.459 6.645 -10.011 1.00 0.00 O ATOM 46 CB VAL 1 4 15.674 6.913 -10.292 1.00 0.00 C ATOM 47 CG1 VAL 1 4 17.108 6.482 -10.028 1.00 0.00 C ATOM 48 CG2 VAL 1 4 15.269 6.602 -11.723 1.00 0.00 C ATOM 0 H VAL 1 4 14.079 4.669 -10.533 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.150 6.267 -8.300 1.00 0.00 H new ATOM 0 HB VAL 1 4 15.614 7.992 -10.150 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.772 6.970 -10.742 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 17.393 6.766 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 17.189 5.401 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.961 7.088 -12.411 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.295 5.524 -11.883 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 14.259 6.971 -11.904 1.00 0.00 H new ATOM 58 N CYS 1 5 13.324 8.066 -8.498 1.00 0.00 N ATOM 59 CA CYS 1 5 12.117 8.876 -8.434 1.00 0.00 C ATOM 60 C CYS 1 5 12.091 9.806 -9.636 1.00 0.00 C ATOM 61 O CYS 1 5 12.552 10.946 -9.581 1.00 0.00 O ATOM 62 CB CYS 1 5 12.064 9.677 -7.129 1.00 0.00 C ATOM 63 SG CYS 1 5 10.824 9.069 -5.939 1.00 0.00 S ATOM 0 H CYS 1 5 14.083 8.383 -7.895 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.242 8.226 -8.453 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.047 9.652 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.848 10.720 -7.363 1.00 0.00 H new ATOM 68 N GLY 1 6 11.574 9.272 -10.732 1.00 0.00 N ATOM 69 CA GLY 1 6 11.507 10.001 -11.981 1.00 0.00 C ATOM 70 C GLY 1 6 11.715 9.070 -13.162 1.00 0.00 C ATOM 71 O GLY 1 6 12.176 9.483 -14.225 1.00 0.00 O ATOM 0 H GLY 1 6 11.192 8.327 -10.777 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.539 10.494 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.266 10.784 -11.991 1.00 0.00 H new ATOM 75 N ASN 1 7 11.363 7.802 -12.956 1.00 0.00 N ATOM 76 CA ASN 1 7 11.489 6.769 -13.973 1.00 0.00 C ATOM 77 C ASN 1 7 10.193 5.975 -14.044 1.00 0.00 C ATOM 78 O ASN 1 7 10.152 4.870 -14.584 1.00 0.00 O ATOM 79 CB ASN 1 7 12.650 5.830 -13.626 1.00 0.00 C ATOM 80 CG ASN 1 7 12.878 4.773 -14.688 1.00 0.00 C ATOM 81 OD1 ASN 1 7 13.490 5.037 -15.723 1.00 0.00 O ATOM 82 ND2 ASN 1 7 12.384 3.566 -14.437 1.00 0.00 N ATOM 0 H ASN 1 7 10.981 7.464 -12.073 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.688 7.235 -14.938 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.561 6.415 -13.499 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.447 5.344 -12.672 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 12.505 2.814 -15.115 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 11.883 3.391 -13.566 1.00 0.00 H new ATOM 89 N LYS 1 8 9.145 6.541 -13.451 1.00 0.00 N ATOM 90 CA LYS 1 8 7.845 5.902 -13.391 1.00 0.00 C ATOM 91 C LYS 1 8 7.869 4.804 -12.336 1.00 0.00 C ATOM 92 O LYS 1 8 7.008 3.925 -12.304 1.00 0.00 O ATOM 93 CB LYS 1 8 7.426 5.343 -14.756 1.00 0.00 C ATOM 94 CG LYS 1 8 6.190 6.017 -15.330 1.00 0.00 C ATOM 95 CD LYS 1 8 6.331 6.266 -16.823 1.00 0.00 C ATOM 96 CE LYS 1 8 7.453 7.248 -17.122 1.00 0.00 C ATOM 97 NZ LYS 1 8 6.934 8.614 -17.408 1.00 0.00 N ATOM 0 H LYS 1 8 9.179 7.455 -13.000 1.00 0.00 H new ATOM 0 HA LYS 1 8 7.103 6.651 -13.114 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 8.253 5.459 -15.457 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.236 4.274 -14.660 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.316 5.393 -15.146 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 6.020 6.964 -14.817 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 6.526 5.323 -17.333 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.392 6.654 -17.218 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 8.135 7.289 -16.273 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 8.029 6.892 -17.976 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.732 9.268 -17.540 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 6.357 8.592 -18.273 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.350 8.937 -16.611 1.00 0.00 H new ATOM 111 N ILE 1 9 8.868 4.888 -11.463 1.00 0.00 N ATOM 112 CA ILE 1 9 9.041 3.944 -10.379 1.00 0.00 C ATOM 113 C ILE 1 9 9.212 4.702 -9.074 1.00 0.00 C ATOM 114 O ILE 1 9 9.715 5.825 -9.057 1.00 0.00 O ATOM 115 CB ILE 1 9 10.272 3.038 -10.601 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.078 2.170 -11.844 1.00 0.00 C ATOM 117 CG2 ILE 1 9 10.526 2.164 -9.379 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.324 1.417 -12.255 1.00 0.00 C ATOM 0 H ILE 1 9 9.580 5.618 -11.493 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.155 3.311 -10.342 1.00 0.00 H new ATOM 0 HB ILE 1 9 11.143 3.676 -10.753 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.276 1.455 -11.657 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 9.755 2.802 -12.672 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 11.397 1.534 -9.557 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 10.707 2.797 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 9.655 1.535 -9.194 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 11.113 0.822 -13.144 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.122 2.126 -12.474 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.636 0.759 -11.444 1.00 0.00 H new ATOM 130 N LEU 1 10 8.804 4.082 -7.986 1.00 0.00 N ATOM 131 CA LEU 1 10 8.925 4.699 -6.673 1.00 0.00 C ATOM 132 C LEU 1 10 10.364 4.623 -6.196 1.00 0.00 C ATOM 133 O LEU 1 10 10.655 3.998 -5.176 1.00 0.00 O ATOM 134 CB LEU 1 10 8.000 4.014 -5.669 1.00 0.00 C ATOM 135 CG LEU 1 10 7.730 2.535 -5.938 1.00 0.00 C ATOM 136 CD1 LEU 1 10 7.514 1.786 -4.635 1.00 0.00 C ATOM 137 CD2 LEU 1 10 6.533 2.381 -6.864 1.00 0.00 C ATOM 0 H LEU 1 10 8.385 3.152 -7.980 1.00 0.00 H new ATOM 0 HA LEU 1 10 8.631 5.746 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 8.433 4.113 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 7.048 4.544 -5.656 1.00 0.00 H new ATOM 0 HG LEU 1 10 8.601 2.102 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 7.323 0.734 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 8.404 1.875 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 6.659 2.211 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 6.350 1.323 -7.049 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 5.653 2.826 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 6.737 2.884 -7.809 1.00 0.00 H new ATOM 149 N GLU 1 11 11.265 5.253 -6.956 1.00 0.00 N ATOM 150 CA GLU 1 11 12.691 5.250 -6.635 1.00 0.00 C ATOM 151 C GLU 1 11 13.061 3.997 -5.858 1.00 0.00 C ATOM 152 O GLU 1 11 13.587 4.062 -4.746 1.00 0.00 O ATOM 153 CB GLU 1 11 13.074 6.492 -5.842 1.00 0.00 C ATOM 154 CG GLU 1 11 14.565 6.596 -5.593 1.00 0.00 C ATOM 155 CD GLU 1 11 14.900 7.439 -4.378 1.00 0.00 C ATOM 156 OE1 GLU 1 11 15.069 8.667 -4.536 1.00 0.00 O ATOM 157 OE2 GLU 1 11 14.992 6.873 -3.269 1.00 0.00 O ATOM 0 H GLU 1 11 11.028 5.773 -7.801 1.00 0.00 H new ATOM 0 HA GLU 1 11 13.246 5.258 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.738 7.378 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.551 6.482 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 14.977 5.596 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 15.046 7.025 -6.472 1.00 0.00 H new ATOM 164 N GLN 1 12 12.759 2.857 -6.454 1.00 0.00 N ATOM 165 CA GLN 1 12 13.033 1.567 -5.833 1.00 0.00 C ATOM 166 C GLN 1 12 12.044 1.260 -4.711 1.00 0.00 C ATOM 167 O GLN 1 12 11.131 0.453 -4.884 1.00 0.00 O ATOM 168 CB GLN 1 12 14.471 1.510 -5.302 1.00 0.00 C ATOM 169 CG GLN 1 12 15.154 0.172 -5.536 1.00 0.00 C ATOM 170 CD GLN 1 12 15.259 -0.658 -4.271 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.315 -1.349 -3.887 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.413 -0.594 -3.616 1.00 0.00 N ATOM 0 H GLN 1 12 12.321 2.796 -7.373 1.00 0.00 H new ATOM 0 HA GLN 1 12 12.913 0.806 -6.604 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 15.057 2.296 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 14.463 1.722 -4.233 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.599 -0.388 -6.289 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 16.153 0.343 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 17.169 -0.008 -3.971 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.543 -1.131 -2.759 1.00 0.00 H new ATOM 181 N GLY 1 13 12.234 1.897 -3.563 1.00 0.00 N ATOM 182 CA GLY 1 13 11.351 1.665 -2.433 1.00 0.00 C ATOM 183 C GLY 1 13 10.889 2.950 -1.778 1.00 0.00 C ATOM 184 O GLY 1 13 11.153 3.184 -0.598 1.00 0.00 O ATOM 0 H GLY 1 13 12.982 2.569 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.481 1.099 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.866 1.051 -1.695 1.00 0.00 H new ATOM 188 N GLU 1 14 10.199 3.785 -2.545 1.00 0.00 N ATOM 189 CA GLU 1 14 9.700 5.058 -2.034 1.00 0.00 C ATOM 190 C GLU 1 14 8.238 4.938 -1.599 1.00 0.00 C ATOM 191 O GLU 1 14 7.814 5.574 -0.634 1.00 0.00 O ATOM 192 CB GLU 1 14 9.878 6.138 -3.092 1.00 0.00 C ATOM 193 CG GLU 1 14 11.229 6.825 -3.002 1.00 0.00 C ATOM 194 CD GLU 1 14 11.432 7.545 -1.683 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.424 7.840 -1.007 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.598 7.814 -1.327 1.00 0.00 O ATOM 0 H GLU 1 14 9.972 3.605 -3.523 1.00 0.00 H new ATOM 0 HA GLU 1 14 10.276 5.338 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.765 5.695 -4.081 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.088 6.881 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 12.018 6.084 -3.132 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 11.324 7.539 -3.820 1.00 0.00 H new ATOM 203 N ASP 1 15 7.494 4.089 -2.306 1.00 0.00 N ATOM 204 CA ASP 1 15 6.079 3.815 -2.012 1.00 0.00 C ATOM 205 C ASP 1 15 5.117 4.703 -2.797 1.00 0.00 C ATOM 206 O ASP 1 15 3.921 4.711 -2.513 1.00 0.00 O ATOM 207 CB ASP 1 15 5.793 3.949 -0.513 1.00 0.00 C ATOM 208 CG ASP 1 15 4.621 3.096 -0.069 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.754 2.791 -0.916 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.568 2.734 1.125 1.00 0.00 O ATOM 0 H ASP 1 15 7.854 3.566 -3.105 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.905 2.787 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.681 3.663 0.050 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.589 4.993 -0.277 1.00 0.00 H new ATOM 215 N CYS 1 16 5.628 5.426 -3.794 1.00 0.00 N ATOM 216 CA CYS 1 16 4.793 6.296 -4.633 1.00 0.00 C ATOM 217 C CYS 1 16 5.637 7.340 -5.352 1.00 0.00 C ATOM 218 O CYS 1 16 6.302 8.157 -4.719 1.00 0.00 O ATOM 219 CB CYS 1 16 3.703 6.984 -3.804 1.00 0.00 C ATOM 220 SG CYS 1 16 2.045 6.236 -3.966 1.00 0.00 S ATOM 0 H CYS 1 16 6.617 5.428 -4.043 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.313 5.663 -5.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.996 6.965 -2.754 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.646 8.032 -4.100 1.00 0.00 H new ATOM 225 N ASP 1 17 5.604 7.307 -6.682 1.00 0.00 N ATOM 226 CA ASP 1 17 6.368 8.253 -7.487 1.00 0.00 C ATOM 227 C ASP 1 17 5.835 8.325 -8.914 1.00 0.00 C ATOM 228 O ASP 1 17 5.134 7.426 -9.379 1.00 0.00 O ATOM 229 CB ASP 1 17 7.843 7.851 -7.518 1.00 0.00 C ATOM 230 CG ASP 1 17 8.700 8.834 -8.292 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.848 9.985 -7.832 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.223 8.452 -9.360 1.00 0.00 O ATOM 0 H ASP 1 17 5.057 6.637 -7.223 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.264 9.236 -7.028 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.216 7.775 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.937 6.862 -7.966 1.00 0.00 H new ATOM 237 N CYS 1 18 6.192 9.401 -9.602 1.00 0.00 N ATOM 238 CA CYS 1 18 5.781 9.612 -10.983 1.00 0.00 C ATOM 239 C CYS 1 18 7.000 9.886 -11.853 1.00 0.00 C ATOM 240 O CYS 1 18 8.041 10.315 -11.355 1.00 0.00 O ATOM 241 CB CYS 1 18 4.818 10.794 -11.084 1.00 0.00 C ATOM 242 SG CYS 1 18 3.149 10.475 -10.430 1.00 0.00 S ATOM 0 H CYS 1 18 6.772 10.149 -9.221 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.276 8.710 -11.330 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.247 11.641 -10.549 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.733 11.088 -12.130 1.00 0.00 H new ATOM 247 N GLY 1 19 6.869 9.656 -13.155 1.00 0.00 N ATOM 248 CA GLY 1 19 7.976 9.908 -14.058 1.00 0.00 C ATOM 249 C GLY 1 19 8.480 11.333 -13.940 1.00 0.00 C ATOM 250 O GLY 1 19 9.683 11.571 -13.827 1.00 0.00 O ATOM 0 H GLY 1 19 6.022 9.302 -13.599 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.789 9.215 -13.840 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.660 9.717 -15.084 1.00 0.00 H new ATOM 254 N SER 1 20 7.548 12.282 -13.956 1.00 0.00 N ATOM 255 CA SER 1 20 7.885 13.696 -13.838 1.00 0.00 C ATOM 256 C SER 1 20 6.889 14.415 -12.926 1.00 0.00 C ATOM 257 O SER 1 20 5.686 14.399 -13.183 1.00 0.00 O ATOM 258 CB SER 1 20 7.897 14.355 -15.219 1.00 0.00 C ATOM 259 OG SER 1 20 8.682 15.534 -15.215 1.00 0.00 O ATOM 0 H SER 1 20 6.550 12.095 -14.050 1.00 0.00 H new ATOM 0 HA SER 1 20 8.879 13.774 -13.398 1.00 0.00 H new ATOM 0 HB2 SER 1 20 8.291 13.655 -15.956 1.00 0.00 H new ATOM 0 HB3 SER 1 20 6.877 14.595 -15.520 1.00 0.00 H new ATOM 0 HG SER 1 20 8.675 15.935 -16.109 1.00 0.00 H new ATOM 265 N PRO 1 21 7.369 15.055 -11.841 1.00 0.00 N ATOM 266 CA PRO 1 21 6.504 15.774 -10.901 1.00 0.00 C ATOM 267 C PRO 1 21 5.450 16.629 -11.601 1.00 0.00 C ATOM 268 O PRO 1 21 4.366 16.857 -11.064 1.00 0.00 O ATOM 269 CB PRO 1 21 7.485 16.659 -10.138 1.00 0.00 C ATOM 270 CG PRO 1 21 8.765 15.898 -10.149 1.00 0.00 C ATOM 271 CD PRO 1 21 8.789 15.124 -11.442 1.00 0.00 C ATOM 0 HA PRO 1 21 5.934 15.092 -10.271 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.598 17.631 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.143 16.844 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.619 16.573 -10.084 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.825 15.226 -9.293 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.392 15.627 -12.198 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.214 14.130 -11.305 1.00 0.00 H new ATOM 279 N ALA 1 22 5.773 17.097 -12.803 1.00 0.00 N ATOM 280 CA ALA 1 22 4.851 17.925 -13.573 1.00 0.00 C ATOM 281 C ALA 1 22 3.878 17.061 -14.366 1.00 0.00 C ATOM 282 O ALA 1 22 2.740 17.458 -14.618 1.00 0.00 O ATOM 283 CB ALA 1 22 5.623 18.847 -14.505 1.00 0.00 C ATOM 0 H ALA 1 22 6.665 16.917 -13.264 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.274 18.533 -12.876 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.923 19.459 -15.073 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.276 19.493 -13.919 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.224 18.250 -15.192 1.00 0.00 H new ATOM 289 N ASN 1 23 4.333 15.873 -14.748 1.00 0.00 N ATOM 290 CA ASN 1 23 3.505 14.941 -15.502 1.00 0.00 C ATOM 291 C ASN 1 23 3.081 13.770 -14.622 1.00 0.00 C ATOM 292 O ASN 1 23 2.748 12.694 -15.118 1.00 0.00 O ATOM 293 CB ASN 1 23 4.263 14.427 -16.728 1.00 0.00 C ATOM 294 CG ASN 1 23 3.332 14.005 -17.848 1.00 0.00 C ATOM 295 OD1 ASN 1 23 2.219 13.539 -17.604 1.00 0.00 O ATOM 296 ND2 ASN 1 23 3.785 14.166 -19.086 1.00 0.00 N ATOM 0 H ASN 1 23 5.273 15.533 -14.547 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.612 15.469 -15.836 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 4.933 15.206 -17.091 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 4.886 13.581 -16.438 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 3.204 13.899 -19.881 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 4.714 14.556 -19.242 1.00 0.00 H new ATOM 303 N CYS 1 24 3.105 13.990 -13.311 1.00 0.00 N ATOM 304 CA CYS 1 24 2.734 12.964 -12.350 1.00 0.00 C ATOM 305 C CYS 1 24 1.292 12.521 -12.549 1.00 0.00 C ATOM 306 O CYS 1 24 0.380 13.009 -11.881 1.00 0.00 O ATOM 307 CB CYS 1 24 2.941 13.481 -10.929 1.00 0.00 C ATOM 308 SG CYS 1 24 2.592 12.256 -9.623 1.00 0.00 S ATOM 0 H CYS 1 24 3.380 14.878 -12.890 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.375 12.097 -12.510 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.972 13.821 -10.826 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.302 14.350 -10.775 1.00 0.00 H new ATOM 313 N GLN 1 25 1.097 11.590 -13.474 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.232 11.068 -13.772 1.00 0.00 C ATOM 315 C GLN 1 25 -0.625 9.973 -12.782 1.00 0.00 C ATOM 316 O GLN 1 25 -1.018 8.875 -13.177 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.279 10.524 -15.201 1.00 0.00 C ATOM 318 CG GLN 1 25 0.638 9.333 -15.429 1.00 0.00 C ATOM 319 CD GLN 1 25 0.953 9.113 -16.896 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.304 8.311 -17.568 1.00 0.00 O ATOM 321 NE2 GLN 1 25 1.953 9.826 -17.400 1.00 0.00 N ATOM 0 H GLN 1 25 1.845 11.179 -14.033 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.946 11.886 -13.678 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.303 10.234 -15.437 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.006 11.320 -15.893 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.568 9.484 -14.880 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.170 8.436 -15.023 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.464 10.479 -16.806 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 2.211 9.721 -18.381 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.520 10.283 -11.493 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.868 9.335 -10.444 1.00 0.00 C ATOM 332 C ASP 1 26 -1.443 10.070 -9.239 1.00 0.00 C ATOM 333 O ASP 1 26 -0.704 10.574 -8.394 1.00 0.00 O ATOM 334 CB ASP 1 26 0.359 8.519 -10.031 1.00 0.00 C ATOM 335 CG ASP 1 26 0.086 7.027 -10.022 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -0.819 6.585 -10.761 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.778 6.301 -9.278 1.00 0.00 O ATOM 0 H ASP 1 26 -0.195 11.187 -11.151 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.624 8.652 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 1.180 8.731 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.683 8.832 -9.038 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.768 10.136 -9.176 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.452 10.820 -8.086 1.00 0.00 C ATOM 344 C ARG 1 27 -3.202 10.138 -6.742 1.00 0.00 C ATOM 345 O ARG 1 27 -3.497 10.706 -5.691 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.953 10.885 -8.369 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.632 9.524 -8.376 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.792 8.990 -9.790 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.968 8.133 -9.921 1.00 0.00 N ATOM 350 CZ ARG 1 27 -7.074 6.929 -9.365 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.079 6.435 -8.639 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -8.179 6.215 -9.534 1.00 0.00 N ATOM 0 H ARG 1 27 -3.391 9.723 -9.870 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.048 11.831 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.429 11.515 -7.617 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.112 11.366 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.046 8.821 -7.784 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -6.611 9.602 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.872 9.825 -10.486 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -4.901 8.428 -10.068 1.00 0.00 H new ATOM 0 HE ARG 1 27 -7.754 8.478 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.227 6.979 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -6.167 5.511 -8.215 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -8.948 6.589 -10.090 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -8.260 5.292 -9.108 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.662 8.922 -6.774 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.385 8.184 -5.547 1.00 0.00 C ATOM 368 C CYS 1 28 -0.887 8.165 -5.225 1.00 0.00 C ATOM 369 O CYS 1 28 -0.482 7.668 -4.175 1.00 0.00 O ATOM 370 CB CYS 1 28 -2.917 6.752 -5.655 1.00 0.00 C ATOM 371 SG CYS 1 28 -3.522 6.063 -4.078 1.00 0.00 S ATOM 0 H CYS 1 28 -2.409 8.430 -7.631 1.00 0.00 H new ATOM 0 HA CYS 1 28 -2.896 8.697 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.728 6.731 -6.383 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.125 6.109 -6.040 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.068 8.708 -6.127 1.00 0.00 N ATOM 377 CA CYS 1 29 1.379 8.743 -5.918 1.00 0.00 C ATOM 378 C CYS 1 29 1.974 10.070 -6.371 1.00 0.00 C ATOM 379 O CYS 1 29 1.745 10.510 -7.496 1.00 0.00 O ATOM 380 CB CYS 1 29 2.060 7.606 -6.681 1.00 0.00 C ATOM 381 SG CYS 1 29 1.801 5.955 -5.963 1.00 0.00 S ATOM 0 H CYS 1 29 -0.380 9.127 -7.003 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.554 8.625 -4.849 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.693 7.604 -7.708 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.131 7.805 -6.725 1.00 0.00 H new ATOM 386 N ASN 1 30 2.751 10.698 -5.493 1.00 0.00 N ATOM 387 CA ASN 1 30 3.391 11.969 -5.817 1.00 0.00 C ATOM 388 C ASN 1 30 4.908 11.810 -5.897 1.00 0.00 C ATOM 389 O ASN 1 30 5.541 11.309 -4.961 1.00 0.00 O ATOM 390 CB ASN 1 30 3.027 13.035 -4.783 1.00 0.00 C ATOM 391 CG ASN 1 30 3.595 14.397 -5.133 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.296 14.953 -6.190 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.420 14.941 -4.247 1.00 0.00 N ATOM 0 H ASN 1 30 2.952 10.349 -4.556 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.026 12.289 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.942 13.106 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.398 12.730 -3.805 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 4.834 15.855 -4.430 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.640 14.445 -3.384 1.00 0.00 H new ATOM 400 N ALA 1 31 5.484 12.240 -7.021 1.00 0.00 N ATOM 401 CA ALA 1 31 6.927 12.153 -7.226 1.00 0.00 C ATOM 402 C ALA 1 31 7.663 13.156 -6.348 1.00 0.00 C ATOM 403 O ALA 1 31 8.676 12.834 -5.727 1.00 0.00 O ATOM 404 CB ALA 1 31 7.268 12.395 -8.689 1.00 0.00 C ATOM 0 H ALA 1 31 4.972 12.651 -7.801 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.248 11.150 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.347 12.327 -8.827 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.775 11.644 -9.306 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.926 13.387 -8.983 1.00 0.00 H new ATOM 410 N ALA 1 32 7.140 14.376 -6.306 1.00 0.00 N ATOM 411 CA ALA 1 32 7.733 15.446 -5.511 1.00 0.00 C ATOM 412 C ALA 1 32 7.958 15.021 -4.060 1.00 0.00 C ATOM 413 O ALA 1 32 8.730 15.650 -3.337 1.00 0.00 O ATOM 414 CB ALA 1 32 6.849 16.683 -5.562 1.00 0.00 C ATOM 0 H ALA 1 32 6.301 14.650 -6.817 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.708 15.676 -5.941 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.299 17.477 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.750 17.017 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.864 16.443 -5.162 1.00 0.00 H new ATOM 420 N THR 1 33 7.281 13.957 -3.637 1.00 0.00 N ATOM 421 CA THR 1 33 7.415 13.466 -2.273 1.00 0.00 C ATOM 422 C THR 1 33 7.924 12.035 -2.261 1.00 0.00 C ATOM 423 O THR 1 33 8.444 11.561 -1.251 1.00 0.00 O ATOM 424 CB THR 1 33 6.067 13.527 -1.551 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.236 13.341 -0.157 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.080 12.484 -2.039 1.00 0.00 C ATOM 0 H THR 1 33 6.637 13.421 -4.219 1.00 0.00 H new ATOM 0 HA THR 1 33 8.134 14.103 -1.758 1.00 0.00 H new ATOM 0 HB THR 1 33 5.665 14.516 -1.770 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.642 13.951 0.329 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.145 12.581 -1.487 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.891 12.632 -3.102 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.494 11.488 -1.879 1.00 0.00 H new ATOM 434 N CYS 1 34 7.742 11.335 -3.377 1.00 0.00 N ATOM 435 CA CYS 1 34 8.158 9.950 -3.465 1.00 0.00 C ATOM 436 C CYS 1 34 7.399 9.142 -2.428 1.00 0.00 C ATOM 437 O CYS 1 34 7.967 8.299 -1.733 1.00 0.00 O ATOM 438 CB CYS 1 34 9.665 9.830 -3.245 1.00 0.00 C ATOM 439 SG CYS 1 34 10.674 10.562 -4.573 1.00 0.00 S ATOM 0 H CYS 1 34 7.312 11.706 -4.224 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.935 9.563 -4.459 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.923 10.311 -2.301 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.924 8.776 -3.147 1.00 0.00 H new ATOM 444 N LYS 1 35 6.105 9.426 -2.322 1.00 0.00 N ATOM 445 CA LYS 1 35 5.253 8.746 -1.360 1.00 0.00 C ATOM 446 C LYS 1 35 3.778 9.014 -1.653 1.00 0.00 C ATOM 447 O LYS 1 35 3.437 9.884 -2.455 1.00 0.00 O ATOM 448 CB LYS 1 35 5.616 9.191 0.066 1.00 0.00 C ATOM 449 CG LYS 1 35 4.608 10.133 0.713 1.00 0.00 C ATOM 450 CD LYS 1 35 5.224 10.894 1.875 1.00 0.00 C ATOM 451 CE LYS 1 35 4.280 11.962 2.405 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.399 12.127 3.880 1.00 0.00 N ATOM 0 H LYS 1 35 5.626 10.123 -2.892 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.418 7.672 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.720 8.306 0.693 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.589 9.682 0.043 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.239 10.839 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.749 9.562 1.065 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 5.474 10.198 2.676 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.157 11.358 1.554 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 4.495 12.912 1.915 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 3.254 11.697 2.151 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.739 12.864 4.201 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 4.169 11.228 4.350 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 5.372 12.405 4.121 1.00 0.00 H new ATOM 466 N LEU 1 36 2.914 8.248 -0.997 1.00 0.00 N ATOM 467 CA LEU 1 36 1.470 8.371 -1.169 1.00 0.00 C ATOM 468 C LEU 1 36 1.023 9.831 -1.204 1.00 0.00 C ATOM 469 O LEU 1 36 1.490 10.656 -0.419 1.00 0.00 O ATOM 470 CB LEU 1 36 0.749 7.641 -0.036 1.00 0.00 C ATOM 471 CG LEU 1 36 0.658 6.122 -0.191 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.683 5.446 1.170 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.600 5.745 -0.954 1.00 0.00 C ATOM 0 H LEU 1 36 3.193 7.526 -0.333 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.212 7.920 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.260 7.864 0.901 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.261 8.042 0.048 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.522 5.777 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.617 4.366 1.041 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.612 5.694 1.683 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.163 5.792 1.764 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.652 4.661 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.475 6.100 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.577 6.203 -1.943 1.00 0.00 H new ATOM 485 N THR 1 37 0.107 10.134 -2.118 1.00 0.00 N ATOM 486 CA THR 1 37 -0.420 11.486 -2.260 1.00 0.00 C ATOM 487 C THR 1 37 -1.393 11.800 -1.128 1.00 0.00 C ATOM 488 O THR 1 37 -1.867 10.894 -0.443 1.00 0.00 O ATOM 489 CB THR 1 37 -1.132 11.633 -3.605 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.773 10.423 -3.963 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.206 12.012 -4.739 1.00 0.00 C ATOM 0 H THR 1 37 -0.287 9.459 -2.773 1.00 0.00 H new ATOM 0 HA THR 1 37 0.413 12.188 -2.215 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.852 12.439 -3.463 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.632 10.622 -4.390 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.778 12.099 -5.663 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.270 12.967 -4.516 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.558 11.244 -4.857 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.716 13.087 -0.917 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.648 13.496 0.136 1.00 0.00 C ATOM 501 C PRO 1 38 -3.973 12.748 0.031 1.00 0.00 C ATOM 502 O PRO 1 38 -4.699 12.887 -0.953 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.853 14.999 -0.110 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.293 15.262 -1.470 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.217 14.238 -1.682 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.264 13.277 1.132 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.909 15.264 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.341 15.594 0.647 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -3.067 15.178 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.888 16.272 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.088 13.998 -2.737 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.251 14.582 -1.313 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.274 11.945 1.044 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.502 11.175 1.040 1.00 0.00 C ATOM 515 C GLY 1 39 -5.251 9.710 0.742 1.00 0.00 C ATOM 516 O GLY 1 39 -6.039 8.846 1.128 1.00 0.00 O ATOM 0 H GLY 1 39 -3.689 11.814 1.869 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.993 11.269 2.009 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.185 11.585 0.296 1.00 0.00 H new ATOM 520 N SER 1 40 -4.146 9.431 0.056 1.00 0.00 N ATOM 521 CA SER 1 40 -3.785 8.063 -0.292 1.00 0.00 C ATOM 522 C SER 1 40 -3.080 7.379 0.875 1.00 0.00 C ATOM 523 O SER 1 40 -2.008 7.807 1.300 1.00 0.00 O ATOM 524 CB SER 1 40 -2.885 8.049 -1.527 1.00 0.00 C ATOM 525 OG SER 1 40 -3.548 8.612 -2.645 1.00 0.00 O ATOM 0 H SER 1 40 -3.485 10.136 -0.270 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.700 7.515 -0.515 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -1.972 8.608 -1.322 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -2.588 7.025 -1.753 1.00 0.00 H new ATOM 0 HG SER 1 40 -3.902 7.894 -3.211 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.696 6.326 1.399 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.129 5.598 2.528 1.00 0.00 C ATOM 533 C GLN 1 41 -2.726 4.172 2.154 1.00 0.00 C ATOM 534 O GLN 1 41 -2.532 3.337 3.035 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.128 5.566 3.686 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.981 6.734 4.648 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.153 6.321 6.096 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.416 6.771 6.974 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.129 5.458 6.354 1.00 0.00 N ATOM 0 H GLN 1 41 -4.585 5.958 1.062 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.225 6.126 2.832 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.140 5.564 3.282 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.003 4.634 4.237 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.998 7.186 4.517 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.719 7.498 4.402 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.716 5.111 5.596 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.291 5.143 7.310 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.608 3.877 0.859 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.236 2.527 0.441 1.00 0.00 C ATOM 550 C CYS 1 42 -1.619 2.484 -0.958 1.00 0.00 C ATOM 551 O CYS 1 42 -0.513 1.973 -1.134 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.452 1.599 0.523 1.00 0.00 C ATOM 553 SG CYS 1 42 -4.755 1.929 -0.707 1.00 0.00 S ATOM 0 H CYS 1 42 -2.761 4.538 0.097 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.465 2.180 1.129 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.114 0.570 0.405 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -3.885 1.679 1.520 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.337 2.998 -1.949 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.870 2.999 -3.336 1.00 0.00 C ATOM 560 C ASN 1 43 -1.795 1.576 -3.904 1.00 0.00 C ATOM 561 O ASN 1 43 -1.895 1.379 -5.115 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.507 3.687 -3.446 1.00 0.00 C ATOM 563 CG ASN 1 43 0.082 3.588 -4.841 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -0.590 3.871 -5.832 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.344 3.184 -4.923 1.00 0.00 N ATOM 0 H ASN 1 43 -3.254 3.424 -1.819 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.595 3.559 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -0.610 4.737 -3.172 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.182 3.237 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 1.794 3.098 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.864 2.960 -4.075 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.626 0.591 -3.024 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.543 -0.810 -3.429 1.00 0.00 C ATOM 574 C TYR 1 44 -1.337 -1.708 -2.210 1.00 0.00 C ATOM 575 O TYR 1 44 -0.934 -1.239 -1.146 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.401 -1.016 -4.434 1.00 0.00 C ATOM 577 CG TYR 1 44 0.976 -1.048 -3.805 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.450 -2.198 -3.184 1.00 0.00 C ATOM 579 CD2 TYR 1 44 1.800 0.069 -3.832 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.706 -2.232 -2.609 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.057 0.043 -3.259 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.506 -1.109 -2.649 1.00 0.00 C ATOM 583 OH TYR 1 44 4.757 -1.139 -2.078 1.00 0.00 O ATOM 0 H TYR 1 44 -1.543 0.740 -2.018 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.483 -1.081 -3.910 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.566 -1.951 -4.969 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.433 -0.216 -5.173 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.826 -3.079 -3.150 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 1.453 0.974 -4.309 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.060 -3.133 -2.131 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 3.685 0.921 -3.289 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.191 -0.268 -2.194 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.610 -3.000 -2.371 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.440 -3.934 -1.271 1.00 0.00 C ATOM 595 C GLY 1 45 -2.750 -4.552 -0.820 1.00 0.00 C ATOM 596 O GLY 1 45 -3.825 -4.109 -1.223 1.00 0.00 O ATOM 0 H GLY 1 45 -1.945 -3.416 -3.240 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.755 -4.726 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.978 -3.418 -0.430 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.658 -5.580 0.020 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.843 -6.262 0.527 1.00 0.00 C ATOM 602 C GLU 1 46 -4.733 -5.301 1.306 1.00 0.00 C ATOM 603 O GLU 1 46 -5.950 -5.281 1.123 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.439 -7.436 1.421 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.347 -8.761 0.681 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.441 -8.690 -0.532 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.212 -8.556 -0.349 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -2.959 -8.767 -1.666 1.00 0.00 O ATOM 0 H GLU 1 46 -1.775 -5.958 0.363 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.406 -6.640 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.474 -7.218 1.879 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.163 -7.531 2.231 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.977 -9.528 1.362 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.345 -9.068 0.367 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.119 -4.507 2.178 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.857 -3.544 2.988 1.00 0.00 C ATOM 617 C CYS 1 47 -5.356 -2.376 2.142 1.00 0.00 C ATOM 618 O CYS 1 47 -6.237 -1.631 2.563 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.978 -3.022 4.127 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.840 -2.877 5.726 1.00 0.00 S ATOM 0 H CYS 1 47 -3.112 -4.512 2.342 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.722 -4.057 3.408 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -3.123 -3.688 4.246 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -3.584 -2.044 3.849 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.784 -2.207 0.956 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.176 -1.114 0.083 1.00 0.00 C ATOM 627 C CYS 1 48 -6.599 -1.281 -0.440 1.00 0.00 C ATOM 628 O CYS 1 48 -7.002 -2.363 -0.865 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.215 -1.009 -1.101 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.461 0.488 -2.103 1.00 0.00 S ATOM 0 H CYS 1 48 -4.052 -2.810 0.581 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.136 -0.201 0.677 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.190 -1.024 -0.730 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.337 -1.886 -1.736 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.345 -0.181 -0.411 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.722 -0.154 -0.885 1.00 0.00 C ATOM 637 C ASP 1 49 -9.142 1.283 -1.178 1.00 0.00 C ATOM 638 O ASP 1 49 -9.380 2.068 -0.259 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.659 -0.778 0.152 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.203 -2.122 -0.295 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -9.537 -2.788 -1.115 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.294 -2.506 0.175 1.00 0.00 O ATOM 0 H ASP 1 49 -7.011 0.716 -0.058 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.788 -0.738 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.124 -0.901 1.094 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.489 -0.098 0.343 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.214 1.629 -2.459 1.00 0.00 N ATOM 648 CA GLN 1 50 -9.588 2.979 -2.863 1.00 0.00 C ATOM 649 C GLN 1 50 -8.569 3.990 -2.344 1.00 0.00 C ATOM 650 O GLN 1 50 -8.930 5.063 -1.860 1.00 0.00 O ATOM 651 CB GLN 1 50 -10.984 3.326 -2.340 1.00 0.00 C ATOM 652 CG GLN 1 50 -11.739 4.306 -3.223 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.220 4.358 -2.903 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.705 3.632 -2.036 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.946 5.221 -3.604 1.00 0.00 N ATOM 0 H GLN 1 50 -9.019 0.995 -3.234 1.00 0.00 H new ATOM 0 HA GLN 1 50 -9.602 3.021 -3.952 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.567 2.409 -2.248 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -10.893 3.747 -1.339 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.310 5.301 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -11.606 4.025 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -13.501 5.803 -4.314 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.948 5.302 -3.433 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.293 3.629 -2.443 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.208 4.489 -1.980 1.00 0.00 C ATOM 666 C CYS 1 51 -6.292 4.710 -0.470 1.00 0.00 C ATOM 667 O CYS 1 51 -5.820 5.722 0.045 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.229 5.833 -2.713 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.511 5.782 -4.389 1.00 0.00 S ATOM 0 H CYS 1 51 -6.984 2.742 -2.842 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.267 3.987 -2.203 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.260 6.180 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -5.684 6.567 -2.119 1.00 0.00 H new ATOM 674 N ARG 1 52 -6.891 3.752 0.236 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.029 3.837 1.687 1.00 0.00 C ATOM 676 C ARG 1 52 -6.894 2.455 2.324 1.00 0.00 C ATOM 677 O ARG 1 52 -7.492 1.487 1.854 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.380 4.453 2.058 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.355 5.971 2.135 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.156 6.453 3.563 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.561 7.786 3.613 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.228 8.906 3.340 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.510 8.857 2.998 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.611 10.078 3.410 1.00 0.00 N ATOM 0 H ARG 1 52 -7.289 2.907 -0.175 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.232 4.475 2.068 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.124 4.147 1.322 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.700 4.054 3.020 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.553 6.355 1.505 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.289 6.372 1.741 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.116 6.465 4.079 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.516 5.750 4.097 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.578 7.864 3.872 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.989 7.958 2.943 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.016 9.718 2.790 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -6.626 10.121 3.673 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.121 10.936 3.201 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.103 2.365 3.392 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.896 1.092 4.078 1.00 0.00 C ATOM 700 C PHE 1 53 -7.195 0.566 4.662 1.00 0.00 C ATOM 701 O PHE 1 53 -8.018 1.330 5.167 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.859 1.228 5.199 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.437 1.276 4.715 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.057 0.603 3.566 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.481 1.996 5.413 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.754 0.646 3.121 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.172 2.042 4.972 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.808 1.366 3.824 1.00 0.00 C ATOM 0 H PHE 1 53 -5.598 3.153 3.798 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.527 0.386 3.334 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.069 2.135 5.766 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.970 0.389 5.886 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.791 0.037 3.012 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.762 2.527 6.311 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.472 0.117 2.223 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.435 2.606 5.524 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.214 1.400 3.477 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.365 -0.747 4.604 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.557 -1.378 5.144 1.00 0.00 C ATOM 720 C LYS 1 54 -8.552 -1.272 6.663 1.00 0.00 C ATOM 721 O LYS 1 54 -7.748 -1.919 7.334 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.630 -2.844 4.711 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.695 -3.113 3.660 1.00 0.00 C ATOM 724 CD LYS 1 54 -9.295 -4.255 2.740 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.312 -3.793 1.677 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.395 -4.624 0.444 1.00 0.00 N ATOM 0 H LYS 1 54 -6.694 -1.393 4.189 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.436 -0.864 4.756 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.659 -3.148 4.319 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.829 -3.464 5.585 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.639 -3.353 4.150 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.862 -2.211 3.071 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -8.848 -5.057 3.327 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -10.184 -4.667 2.262 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.512 -2.751 1.427 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.299 -3.836 2.076 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -7.536 -5.203 0.357 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -9.227 -5.245 0.500 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -8.480 -4.005 -0.387 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.444 -0.438 7.195 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.548 -0.219 8.637 1.00 0.00 C ATOM 742 C LYS 1 55 -9.242 -1.489 9.421 1.00 0.00 C ATOM 743 O LYS 1 55 -9.776 -2.562 9.126 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.947 0.286 8.994 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.114 0.623 10.466 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.567 2.004 10.788 1.00 0.00 C ATOM 747 CE LYS 1 55 -10.694 2.322 12.269 1.00 0.00 C ATOM 748 NZ LYS 1 55 -10.717 3.789 12.522 1.00 0.00 N ATOM 0 H LYS 1 55 -10.111 0.102 6.643 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.808 0.533 8.911 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.167 1.173 8.400 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.680 -0.472 8.718 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.170 0.578 10.733 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.600 -0.123 11.072 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.520 2.060 10.491 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.104 2.754 10.206 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.606 1.872 12.660 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -9.860 1.873 12.809 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -10.805 3.964 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -9.835 4.215 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -11.527 4.214 12.027 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.373 -1.359 10.421 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.992 -2.493 11.251 1.00 0.00 C ATOM 764 C ALA 1 56 -9.212 -3.331 11.596 1.00 0.00 C ATOM 765 O ALA 1 56 -10.227 -2.810 12.057 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.304 -2.026 12.520 1.00 0.00 C ATOM 0 H ALA 1 56 -7.922 -0.480 10.674 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.291 -3.107 10.685 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.029 -2.891 13.124 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.407 -1.463 12.262 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.981 -1.388 13.087 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.116 -4.623 11.345 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.233 -5.506 11.608 1.00 0.00 C ATOM 774 C GLY 1 57 -10.757 -6.134 10.335 1.00 0.00 C ATOM 775 O GLY 1 57 -11.571 -7.056 10.378 1.00 0.00 O ATOM 0 H GLY 1 57 -8.287 -5.079 10.964 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.924 -6.289 12.300 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.032 -4.948 12.095 1.00 0.00 H new ATOM 779 N THR 1 58 -10.273 -5.644 9.195 1.00 0.00 N ATOM 780 CA THR 1 58 -10.678 -6.176 7.903 1.00 0.00 C ATOM 781 C THR 1 58 -9.893 -7.446 7.587 1.00 0.00 C ATOM 782 O THR 1 58 -8.708 -7.385 7.260 1.00 0.00 O ATOM 783 CB THR 1 58 -10.444 -5.139 6.804 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.142 -3.939 7.088 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.885 -5.618 5.442 1.00 0.00 C ATOM 0 H THR 1 58 -9.600 -4.879 9.144 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.741 -6.414 7.945 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.368 -4.968 6.785 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.677 -3.450 7.799 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.694 -4.840 4.703 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.329 -6.516 5.175 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.951 -5.844 5.463 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.552 -8.595 7.694 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.899 -9.869 7.426 1.00 0.00 C ATOM 795 C VAL 1 59 -9.474 -9.979 5.966 1.00 0.00 C ATOM 796 O VAL 1 59 -10.304 -9.904 5.060 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.812 -11.066 7.771 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -12.125 -10.974 7.008 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -10.109 -12.384 7.477 1.00 0.00 C ATOM 0 H VAL 1 59 -11.533 -8.669 7.963 1.00 0.00 H new ATOM 0 HA VAL 1 59 -9.016 -9.901 8.065 1.00 0.00 H new ATOM 0 HB VAL 1 59 -11.033 -11.031 8.838 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.755 -11.826 7.264 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.638 -10.050 7.276 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.924 -10.980 5.937 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.771 -13.213 7.728 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.853 -12.431 6.419 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.200 -12.452 8.074 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.178 -10.169 5.747 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.645 -10.303 4.393 1.00 0.00 C ATOM 811 C CYS 1 60 -7.229 -11.744 4.113 1.00 0.00 C ATOM 812 O CYS 1 60 -7.184 -12.175 2.961 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.445 -9.379 4.183 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.574 -7.772 5.024 1.00 0.00 S ATOM 0 H CYS 1 60 -7.478 -10.234 6.486 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.437 -10.019 3.700 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.546 -9.887 4.533 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.318 -9.206 3.114 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.918 -12.481 5.174 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.495 -13.873 5.042 1.00 0.00 C ATOM 821 C ARG 1 61 -6.825 -14.679 6.294 1.00 0.00 C ATOM 822 O ARG 1 61 -7.204 -14.127 7.325 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.993 -13.952 4.761 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.516 -12.950 3.726 1.00 0.00 C ATOM 825 CD ARG 1 61 -3.020 -13.071 3.474 1.00 0.00 C ATOM 826 NE ARG 1 61 -2.234 -12.834 4.684 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.968 -12.425 4.680 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.335 -12.208 3.533 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.331 -12.239 5.827 1.00 0.00 N ATOM 0 H ARG 1 61 -6.950 -12.139 6.135 1.00 0.00 H new ATOM 0 HA ARG 1 61 -7.043 -14.303 4.204 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.449 -13.788 5.691 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.748 -14.958 4.421 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -5.056 -13.106 2.792 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.748 -11.940 4.063 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.798 -14.066 3.088 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.724 -12.357 2.705 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.684 -12.992 5.586 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.819 -12.355 2.647 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.636 -11.894 3.538 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.811 -12.409 6.711 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.640 -11.925 5.826 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.668 -15.993 6.187 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.932 -16.906 7.293 1.00 0.00 C ATOM 845 C ILE 1 62 -6.182 -18.212 7.075 1.00 0.00 C ATOM 846 O ILE 1 62 -6.297 -18.836 6.020 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.435 -17.234 7.457 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -9.298 -15.974 7.367 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.676 -17.934 8.785 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -9.470 -15.457 5.959 1.00 0.00 C ATOM 0 H ILE 1 62 -6.355 -16.455 5.333 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.594 -16.401 8.198 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.722 -17.897 6.641 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.280 -16.186 7.790 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.849 -15.192 7.980 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.737 -18.160 8.890 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.103 -18.860 8.817 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.361 -17.284 9.601 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.093 -14.563 5.973 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -8.494 -15.213 5.539 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.947 -16.222 5.346 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.411 -18.617 8.073 1.00 0.00 N ATOM 863 CA ALA 1 63 -4.633 -19.851 7.991 1.00 0.00 C ATOM 864 C ALA 1 63 -5.467 -21.002 7.438 1.00 0.00 C ATOM 865 O ALA 1 63 -5.239 -21.463 6.320 1.00 0.00 O ATOM 866 CB ALA 1 63 -4.064 -20.210 9.356 1.00 0.00 C ATOM 0 H ALA 1 63 -5.305 -18.110 8.952 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.808 -19.680 7.300 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.487 -21.132 9.279 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.417 -19.405 9.704 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.880 -20.351 10.065 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.434 -21.457 8.225 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.304 -22.555 7.807 1.00 0.00 C ATOM 874 C ARG 1 64 -8.303 -22.921 8.901 1.00 0.00 C ATOM 875 O ARG 1 64 -8.213 -23.989 9.507 1.00 0.00 O ATOM 876 CB ARG 1 64 -6.472 -23.785 7.430 1.00 0.00 C ATOM 877 CG ARG 1 64 -7.012 -24.539 6.226 1.00 0.00 C ATOM 878 CD ARG 1 64 -6.876 -23.724 4.951 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.648 -24.041 4.226 1.00 0.00 N ATOM 880 CZ ARG 1 64 -5.281 -23.446 3.093 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -6.044 -22.503 2.553 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -4.148 -23.794 2.498 1.00 0.00 N ATOM 0 H ARG 1 64 -6.637 -21.086 9.153 1.00 0.00 H new ATOM 0 HA ARG 1 64 -7.862 -22.218 6.933 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -5.449 -23.472 7.223 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.432 -24.462 8.284 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -6.476 -25.482 6.115 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -8.061 -24.786 6.391 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -7.735 -23.912 4.307 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -6.888 -22.662 5.197 1.00 0.00 H new ATOM 0 HE ARG 1 64 -5.036 -24.761 4.610 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -6.916 -22.231 3.006 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.758 -22.051 1.685 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -3.558 -24.518 2.908 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -3.867 -23.338 1.630 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.261 -22.033 9.144 1.00 0.00 N ATOM 897 CA GLY 1 65 -10.263 -22.289 10.161 1.00 0.00 C ATOM 898 C GLY 1 65 -10.732 -21.024 10.847 1.00 0.00 C ATOM 899 O GLY 1 65 -11.376 -20.175 10.229 1.00 0.00 O ATOM 0 H GLY 1 65 -9.361 -21.143 8.656 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -11.118 -22.789 9.706 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.853 -22.971 10.906 1.00 0.00 H new ATOM 903 N ASP 1 66 -10.409 -20.897 12.128 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.800 -19.726 12.902 1.00 0.00 C ATOM 905 C ASP 1 66 -10.090 -19.704 14.251 1.00 0.00 C ATOM 906 O ASP 1 66 -10.647 -20.117 15.268 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.314 -19.703 13.105 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.900 -18.315 12.938 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.964 -17.832 11.788 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.295 -17.710 13.957 1.00 0.00 O ATOM 0 H ASP 1 66 -9.877 -21.591 12.653 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.505 -18.838 12.344 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.783 -20.381 12.392 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.550 -20.076 14.102 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.856 -19.221 14.245 1.00 0.00 N ATOM 916 CA TRP 1 67 -8.051 -19.137 15.458 1.00 0.00 C ATOM 917 C TRP 1 67 -7.660 -17.692 15.731 1.00 0.00 C ATOM 918 O TRP 1 67 -8.137 -17.069 16.679 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.793 -20.004 15.316 1.00 0.00 C ATOM 920 CG TRP 1 67 -6.597 -20.549 13.934 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -6.278 -19.844 12.809 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -6.720 -21.914 13.531 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -6.198 -20.689 11.732 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -6.463 -21.966 12.149 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -7.021 -23.097 14.206 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -6.500 -23.155 11.430 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -7.058 -24.280 13.492 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -6.798 -24.301 12.116 1.00 0.00 C ATOM 0 H TRP 1 67 -8.386 -18.878 13.407 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.642 -19.505 16.297 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.920 -19.412 15.592 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.851 -20.834 16.021 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -6.113 -18.777 12.773 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.977 -20.411 10.776 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -7.221 -23.089 15.267 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.301 -23.174 10.369 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -7.291 -25.202 14.003 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.833 -25.241 11.585 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.798 -17.169 14.873 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.335 -15.791 14.980 1.00 0.00 C ATOM 941 C ASN 1 68 -6.836 -14.980 13.791 1.00 0.00 C ATOM 942 O ASN 1 68 -7.187 -13.808 13.925 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.805 -15.737 15.040 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.209 -16.884 15.835 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.814 -16.715 16.989 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -4.141 -18.058 15.220 1.00 0.00 N ATOM 0 H ASN 1 68 -6.401 -17.683 14.087 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.733 -15.364 15.900 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.405 -15.756 14.026 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.496 -14.792 15.486 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.749 -18.866 15.705 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.480 -18.153 14.263 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.875 -15.624 12.627 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.341 -14.981 11.404 1.00 0.00 C ATOM 955 C ASP 1 69 -6.463 -13.793 11.034 1.00 0.00 C ATOM 956 O ASP 1 69 -5.943 -13.097 11.906 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.788 -14.519 11.567 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.785 -15.625 11.282 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.608 -16.738 11.820 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.744 -15.377 10.521 1.00 0.00 O ATOM 0 H ASP 1 69 -6.588 -16.595 12.506 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.283 -15.715 10.600 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.937 -14.153 12.583 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.977 -13.682 10.895 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.312 -13.559 9.735 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.508 -12.445 9.252 1.00 0.00 C ATOM 967 C ASP 1 70 -6.339 -11.174 9.221 1.00 0.00 C ATOM 968 O ASP 1 70 -7.431 -11.155 8.656 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.957 -12.747 7.859 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.820 -11.829 7.471 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.051 -10.605 7.389 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.700 -12.333 7.246 1.00 0.00 O ATOM 0 H ASP 1 70 -6.735 -14.125 9.000 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.669 -12.302 9.934 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.612 -13.780 7.825 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.759 -12.655 7.127 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.835 -10.118 9.851 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.571 -8.866 9.904 1.00 0.00 C ATOM 979 C TYR 1 71 -5.702 -7.648 9.654 1.00 0.00 C ATOM 980 O TYR 1 71 -4.559 -7.573 10.102 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.243 -8.732 11.260 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.531 -9.494 11.337 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.672 -8.993 10.744 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.602 -10.715 11.983 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.862 -9.680 10.793 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.785 -11.418 12.039 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.918 -10.897 11.443 1.00 0.00 C ATOM 988 OH TYR 1 71 -12.103 -11.594 11.496 1.00 0.00 O ATOM 0 H TYR 1 71 -4.932 -10.105 10.325 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.309 -8.900 9.103 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.565 -9.090 12.035 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.434 -7.679 11.465 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.629 -8.043 10.232 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.718 -11.123 12.450 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.746 -9.271 10.327 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.827 -12.371 12.546 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.969 -12.430 11.989 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.279 -6.685 8.946 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.594 -5.442 8.635 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.366 -4.635 9.908 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.977 -4.908 10.942 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.416 -4.629 7.636 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.765 -4.670 5.938 1.00 0.00 S ATOM 0 H CYS 1 72 -7.227 -6.745 8.575 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.626 -5.674 8.190 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -7.439 -5.005 7.631 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.458 -3.593 7.973 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.486 -3.646 9.831 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.183 -2.809 10.986 1.00 0.00 C ATOM 1010 C THR 1 73 -4.434 -1.331 10.688 1.00 0.00 C ATOM 1011 O THR 1 73 -4.145 -0.467 11.516 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.731 -3.017 11.420 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.852 -2.259 10.609 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.290 -4.464 11.350 1.00 0.00 C ATOM 0 H THR 1 73 -3.971 -3.403 8.985 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.848 -3.105 11.797 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.688 -2.690 12.459 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.929 -2.404 10.903 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.251 -4.544 11.671 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.919 -5.068 12.004 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.382 -4.823 10.325 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.974 -1.043 9.505 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.253 0.332 9.130 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.039 1.234 9.258 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.175 2.450 9.398 1.00 0.00 O ATOM 0 H GLY 1 74 -5.223 -1.738 8.801 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.612 0.358 8.101 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.056 0.719 9.758 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.851 0.641 9.210 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.612 1.404 9.321 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.563 0.909 8.327 1.00 0.00 C ATOM 1032 O LYS 1 75 0.613 1.260 8.430 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.062 1.314 10.746 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.057 1.747 11.810 1.00 0.00 C ATOM 1035 CD LYS 1 75 -1.388 2.571 12.898 1.00 0.00 C ATOM 1036 CE LYS 1 75 -2.343 2.860 14.045 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -3.676 3.310 13.558 1.00 0.00 N ATOM 0 H LYS 1 75 -2.719 -0.364 9.095 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.838 2.444 9.086 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.755 0.287 10.944 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.169 1.934 10.822 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.854 2.331 11.348 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.523 0.867 12.253 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.516 2.038 13.275 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.030 3.510 12.476 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -2.462 1.963 14.653 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.914 3.627 14.690 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -4.124 3.910 14.279 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -3.559 3.853 12.679 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -4.277 2.481 13.375 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.990 0.094 7.366 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.079 -0.441 6.361 1.00 0.00 C ATOM 1053 C SER 1 76 -0.839 -1.231 5.301 1.00 0.00 C ATOM 1054 O SER 1 76 -2.008 -1.572 5.485 1.00 0.00 O ATOM 1055 CB SER 1 76 0.973 -1.335 7.021 1.00 0.00 C ATOM 1056 OG SER 1 76 2.127 -0.591 7.372 1.00 0.00 O ATOM 0 H SER 1 76 -1.958 -0.209 7.263 1.00 0.00 H new ATOM 0 HA SER 1 76 0.418 0.399 5.875 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.552 -1.801 7.912 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.249 -2.141 6.340 1.00 0.00 H new ATOM 0 HG SER 1 76 1.877 0.130 7.986 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.165 -1.524 4.192 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.773 -2.281 3.102 1.00 0.00 C ATOM 1064 C SER 1 77 -0.594 -3.783 3.311 1.00 0.00 C ATOM 1065 O SER 1 77 -0.840 -4.577 2.402 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.159 -1.869 1.761 1.00 0.00 C ATOM 1067 OG SER 1 77 0.588 -0.671 1.887 1.00 0.00 O ATOM 0 H SER 1 77 0.803 -1.248 4.025 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.840 -2.057 3.093 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.487 -2.666 1.393 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -0.949 -1.732 1.023 1.00 0.00 H new ATOM 0 HG SER 1 77 0.084 -0.027 2.427 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.162 -4.169 4.509 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.052 -5.575 4.825 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.983 -6.073 5.826 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.360 -5.359 6.755 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.460 -5.785 5.384 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.536 -5.562 4.338 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.350 -6.016 3.190 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.563 -4.933 4.668 1.00 0.00 O ATOM 0 H ASP 1 78 0.046 -3.528 5.274 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.056 -6.148 3.904 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.622 -5.103 6.219 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.544 -6.798 5.778 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.436 -7.305 5.629 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.427 -7.908 6.510 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.843 -9.129 7.222 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.717 -10.198 6.628 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.664 -8.314 5.707 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.237 -7.933 6.540 1.00 0.00 S ATOM 0 H CYS 1 79 -1.131 -7.907 4.864 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.714 -7.173 7.262 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.642 -7.807 4.742 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.620 -9.384 5.506 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.472 -8.985 8.508 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.896 -10.084 9.294 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.922 -11.161 9.647 1.00 0.00 C ATOM 1098 O PRO 1 80 -3.052 -10.853 10.022 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.402 -9.385 10.563 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.279 -8.191 10.698 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.577 -7.741 9.295 1.00 0.00 C ATOM 0 HA PRO 1 80 -0.117 -10.610 8.742 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.484 -10.037 11.432 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.646 -9.099 10.476 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.196 -8.438 11.233 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.782 -7.403 11.264 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.570 -7.299 9.217 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.866 -6.989 8.955 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.513 -12.423 9.529 1.00 0.00 N ATOM 1110 CA TRP 1 81 -2.390 -13.559 9.842 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.797 -13.554 11.307 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.746 -14.232 11.699 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.698 -14.899 9.563 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.565 -14.837 8.592 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.748 -14.586 8.868 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.648 -15.049 7.188 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.485 -14.627 7.711 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 0.647 -14.912 6.665 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.700 -15.343 6.325 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 0.919 -15.060 5.313 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -1.432 -15.492 4.978 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -0.129 -15.351 4.482 1.00 0.00 C ATOM 0 H TRP 1 81 -0.579 -12.689 9.219 1.00 0.00 H new ATOM 0 HA TRP 1 81 -3.267 -13.450 9.204 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -1.327 -15.302 10.505 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.441 -15.602 9.186 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.148 -14.385 9.851 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.491 -14.471 7.641 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.706 -15.453 6.701 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 1.923 -14.950 4.929 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -2.239 -15.721 4.297 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.052 -15.474 3.424 1.00 0.00 H new ATOM 1133 N ASN 1 82 -2.037 -12.830 12.116 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.269 -12.776 13.556 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.776 -14.072 14.192 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.261 -14.492 15.242 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.754 -12.564 13.877 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.305 -11.290 13.267 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.401 -11.162 12.047 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.672 -10.339 14.118 1.00 0.00 N ATOM 0 H ASN 1 82 -1.248 -12.267 11.798 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.719 -11.928 13.964 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.327 -13.416 13.510 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.888 -12.532 14.958 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.051 -9.459 13.767 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.575 -10.488 15.122 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.810 -14.706 13.525 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.240 -15.963 13.988 1.00 0.00 C ATOM 1149 C HIS 1 83 1.097 -15.734 14.688 1.00 0.00 C ATOM 1150 O HIS 1 83 1.633 -16.701 15.269 1.00 0.00 O ATOM 1151 CB HIS 1 83 -0.058 -16.912 12.800 1.00 0.00 C ATOM 1152 CG HIS 1 83 -1.340 -17.215 12.092 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.406 -17.539 10.754 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -2.617 -17.225 12.542 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -2.667 -17.731 10.412 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -3.421 -17.548 11.479 1.00 0.00 N ATOM 1157 OXT HIS 1 83 1.596 -14.590 14.648 1.00 0.00 O ATOM 0 H HIS 1 83 -0.406 -14.361 12.654 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.925 -16.410 14.709 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 0.645 -16.470 12.094 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.386 -17.844 13.151 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -2.942 -17.017 13.551 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.021 -17.993 9.426 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -4.437 -17.633 11.509 1.00 0.00 H new