USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN :FLIP amide:sc= -0.727 F(o=-10!,f=-8.8) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -8.07! C(o=-10!,f=-8.8!) USER MOD Set 2.1: 1 37 THR OG1 : rot 172:sc= -1.45 USER MOD Set 2.2: 1 40 SER OG : rot 164:sc= 0.846 USER MOD Set 3.1: 1 33 THR OG1 : rot -21:sc= 0.788 USER MOD Set 3.2: 1 35 LYS NZ :NH3+ 151:sc= 1.05 (180deg=0) USER MOD Set 4.1: 1 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: 1 23 ASN : amide:sc= -3.59 X(o=-3.6,f=-3.2!) USER MOD Single : 1 7 ASN : amide:sc= -5.77! C(o=-5.8!,f=-13!) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -3.81 X(o=-3.8,f=-3.9!) USER MOD Single : 1 25 GLN : amide:sc=-0.00235 K(o=-0.0023,f=-1.3) USER MOD Single : 1 30 ASN :FLIP amide:sc= -1.26 F(o=-5.1!,f=-1.3) USER MOD Single : 1 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 43 ASN : amide:sc= -4.79 K(o=-4.8,f=-6.1!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.049) USER MOD Single : 1 58 THR OG1 : rot 77:sc= 0.756 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+ 137:sc= -1.09 (180deg=-2.68!) USER MOD Single : 1 76 SER OG : rot 42:sc= 1.29 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 14.999 0.079 -8.030 1.00 0.00 N ATOM 29 CA PRO 1 3 14.499 1.212 -7.260 1.00 0.00 C ATOM 30 C PRO 1 3 14.847 2.548 -7.905 1.00 0.00 C ATOM 31 O PRO 1 3 15.933 3.087 -7.688 1.00 0.00 O ATOM 32 CB PRO 1 3 15.228 1.052 -5.929 1.00 0.00 C ATOM 33 CG PRO 1 3 16.535 0.420 -6.276 1.00 0.00 C ATOM 34 CD PRO 1 3 16.340 -0.326 -7.576 1.00 0.00 C ATOM 0 HA PRO 1 3 13.412 1.217 -7.178 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.373 2.016 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.659 0.428 -5.240 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.313 1.177 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.855 -0.260 -5.487 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.104 -0.060 -8.306 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.401 -1.404 -7.429 1.00 0.00 H new ATOM 42 N VAL 1 4 13.924 3.080 -8.703 1.00 0.00 N ATOM 43 CA VAL 1 4 14.146 4.354 -9.381 1.00 0.00 C ATOM 44 C VAL 1 4 13.101 5.401 -8.998 1.00 0.00 C ATOM 45 O VAL 1 4 11.939 5.303 -9.393 1.00 0.00 O ATOM 46 CB VAL 1 4 14.134 4.178 -10.911 1.00 0.00 C ATOM 47 CG1 VAL 1 4 15.032 5.210 -11.575 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.555 2.766 -11.297 1.00 0.00 C ATOM 0 H VAL 1 4 13.019 2.651 -8.895 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.126 4.704 -9.058 1.00 0.00 H new ATOM 0 HB VAL 1 4 13.115 4.334 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 15.010 5.070 -12.656 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 14.677 6.211 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.053 5.090 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.539 2.665 -12.382 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 15.563 2.574 -10.930 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.865 2.047 -10.856 1.00 0.00 H new ATOM 58 N CYS 1 5 13.528 6.419 -8.253 1.00 0.00 N ATOM 59 CA CYS 1 5 12.631 7.501 -7.852 1.00 0.00 C ATOM 60 C CYS 1 5 12.568 8.538 -8.964 1.00 0.00 C ATOM 61 O CYS 1 5 13.518 9.290 -9.178 1.00 0.00 O ATOM 62 CB CYS 1 5 13.109 8.154 -6.549 1.00 0.00 C ATOM 63 SG CYS 1 5 11.945 7.993 -5.155 1.00 0.00 S ATOM 0 H CYS 1 5 14.486 6.517 -7.916 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.637 7.089 -7.677 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 14.063 7.711 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.292 9.213 -6.733 1.00 0.00 H new ATOM 68 N GLY 1 6 11.458 8.553 -9.691 1.00 0.00 N ATOM 69 CA GLY 1 6 11.316 9.479 -10.794 1.00 0.00 C ATOM 70 C GLY 1 6 11.431 8.761 -12.120 1.00 0.00 C ATOM 71 O GLY 1 6 11.879 9.329 -13.116 1.00 0.00 O ATOM 0 H GLY 1 6 10.656 7.942 -9.536 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.351 9.981 -10.730 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.082 10.251 -10.727 1.00 0.00 H new ATOM 75 N ASN 1 7 11.026 7.496 -12.118 1.00 0.00 N ATOM 76 CA ASN 1 7 11.076 6.658 -13.305 1.00 0.00 C ATOM 77 C ASN 1 7 9.727 5.988 -13.539 1.00 0.00 C ATOM 78 O ASN 1 7 9.566 5.198 -14.469 1.00 0.00 O ATOM 79 CB ASN 1 7 12.160 5.595 -13.135 1.00 0.00 C ATOM 80 CG ASN 1 7 12.365 4.767 -14.388 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.616 3.827 -14.656 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.385 5.112 -15.165 1.00 0.00 N ATOM 0 H ASN 1 7 10.654 7.025 -11.293 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.310 7.281 -14.168 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.099 6.079 -12.866 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.892 4.937 -12.309 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.573 4.591 -16.022 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.981 5.898 -14.905 1.00 0.00 H new ATOM 89 N LYS 1 8 8.763 6.307 -12.677 1.00 0.00 N ATOM 90 CA LYS 1 8 7.423 5.744 -12.760 1.00 0.00 C ATOM 91 C LYS 1 8 7.382 4.339 -12.166 1.00 0.00 C ATOM 92 O LYS 1 8 6.418 3.600 -12.368 1.00 0.00 O ATOM 93 CB LYS 1 8 6.921 5.713 -14.209 1.00 0.00 C ATOM 94 CG LYS 1 8 7.285 6.952 -15.015 1.00 0.00 C ATOM 95 CD LYS 1 8 6.062 7.803 -15.316 1.00 0.00 C ATOM 96 CE LYS 1 8 5.276 7.251 -16.494 1.00 0.00 C ATOM 97 NZ LYS 1 8 3.812 7.472 -16.338 1.00 0.00 N ATOM 0 H LYS 1 8 8.891 6.961 -11.905 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.764 6.389 -12.180 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.332 4.834 -14.707 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 5.837 5.600 -14.205 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 8.014 7.545 -14.463 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 7.759 6.652 -15.949 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.420 7.844 -14.436 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 6.373 8.825 -15.531 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.619 7.726 -17.413 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.473 6.184 -16.594 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.312 7.081 -17.162 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 3.479 6.998 -15.474 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 3.620 8.492 -16.269 1.00 0.00 H new ATOM 111 N ILE 1 9 8.427 3.976 -11.426 1.00 0.00 N ATOM 112 CA ILE 1 9 8.499 2.664 -10.799 1.00 0.00 C ATOM 113 C ILE 1 9 8.525 2.798 -9.288 1.00 0.00 C ATOM 114 O ILE 1 9 9.558 3.135 -8.715 1.00 0.00 O ATOM 115 CB ILE 1 9 9.754 1.869 -11.232 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.572 2.650 -12.259 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.362 0.508 -11.781 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.844 1.947 -12.680 1.00 0.00 C ATOM 0 H ILE 1 9 9.234 4.574 -11.247 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.611 2.122 -11.124 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.378 1.718 -10.351 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.957 2.830 -13.141 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.826 3.625 -11.844 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.258 -0.036 -12.080 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.835 -0.056 -11.012 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.711 0.638 -12.646 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.373 2.559 -13.410 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.479 1.791 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.597 0.983 -13.125 1.00 0.00 H new ATOM 130 N LEU 1 10 7.397 2.520 -8.647 1.00 0.00 N ATOM 131 CA LEU 1 10 7.312 2.595 -7.194 1.00 0.00 C ATOM 132 C LEU 1 10 8.221 1.542 -6.574 1.00 0.00 C ATOM 133 O LEU 1 10 7.759 0.591 -5.943 1.00 0.00 O ATOM 134 CB LEU 1 10 5.869 2.394 -6.728 1.00 0.00 C ATOM 135 CG LEU 1 10 5.232 1.068 -7.141 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.210 0.629 -6.107 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.589 1.192 -8.514 1.00 0.00 C ATOM 0 H LEU 1 10 6.531 2.241 -9.108 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.638 3.584 -6.871 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 5.841 2.469 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.260 3.209 -7.120 1.00 0.00 H new ATOM 0 HG LEU 1 10 6.012 0.309 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.764 -0.317 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 4.700 0.502 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.431 1.386 -6.021 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 4.140 0.239 -8.793 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.818 1.962 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.348 1.464 -9.248 1.00 0.00 H new ATOM 149 N GLU 1 11 9.520 1.714 -6.782 1.00 0.00 N ATOM 150 CA GLU 1 11 10.510 0.783 -6.276 1.00 0.00 C ATOM 151 C GLU 1 11 11.530 1.498 -5.403 1.00 0.00 C ATOM 152 O GLU 1 11 11.901 0.998 -4.342 1.00 0.00 O ATOM 153 CB GLU 1 11 11.210 0.091 -7.443 1.00 0.00 C ATOM 154 CG GLU 1 11 10.280 -0.766 -8.283 1.00 0.00 C ATOM 155 CD GLU 1 11 10.182 -2.191 -7.775 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.231 -2.767 -7.417 1.00 0.00 O ATOM 157 OE2 GLU 1 11 9.057 -2.732 -7.736 1.00 0.00 O ATOM 0 H GLU 1 11 9.911 2.499 -7.303 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.004 0.036 -5.664 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.670 0.846 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.015 -0.533 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 9.286 -0.318 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 10.633 -0.775 -9.314 1.00 0.00 H new ATOM 164 N GLN 1 12 11.987 2.667 -5.854 1.00 0.00 N ATOM 165 CA GLN 1 12 12.971 3.435 -5.092 1.00 0.00 C ATOM 166 C GLN 1 12 12.393 3.921 -3.761 1.00 0.00 C ATOM 167 O GLN 1 12 12.231 5.123 -3.546 1.00 0.00 O ATOM 168 CB GLN 1 12 13.473 4.627 -5.909 1.00 0.00 C ATOM 169 CG GLN 1 12 14.658 5.344 -5.280 1.00 0.00 C ATOM 170 CD GLN 1 12 15.767 4.396 -4.867 1.00 0.00 C ATOM 171 OE1 GLN 1 12 16.733 4.193 -5.603 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.632 3.808 -3.683 1.00 0.00 N ATOM 0 H GLN 1 12 11.696 3.098 -6.731 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.809 2.772 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.755 4.281 -6.904 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.656 5.337 -6.038 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.054 6.072 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.318 5.901 -4.407 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 14.815 4.006 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.346 3.159 -3.352 1.00 0.00 H new ATOM 181 N GLY 1 13 12.096 2.973 -2.870 1.00 0.00 N ATOM 182 CA GLY 1 13 11.550 3.297 -1.558 1.00 0.00 C ATOM 183 C GLY 1 13 10.592 4.474 -1.574 1.00 0.00 C ATOM 184 O GLY 1 13 10.566 5.271 -0.636 1.00 0.00 O ATOM 0 H GLY 1 13 12.226 1.975 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.032 2.423 -1.163 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.371 3.517 -0.876 1.00 0.00 H new ATOM 188 N GLU 1 14 9.810 4.591 -2.641 1.00 0.00 N ATOM 189 CA GLU 1 14 8.859 5.690 -2.762 1.00 0.00 C ATOM 190 C GLU 1 14 7.456 5.273 -2.327 1.00 0.00 C ATOM 191 O GLU 1 14 6.839 5.928 -1.487 1.00 0.00 O ATOM 192 CB GLU 1 14 8.827 6.226 -4.197 1.00 0.00 C ATOM 193 CG GLU 1 14 8.572 5.162 -5.255 1.00 0.00 C ATOM 194 CD GLU 1 14 9.426 5.358 -6.491 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.613 5.704 -6.339 1.00 0.00 O ATOM 196 OE2 GLU 1 14 8.909 5.165 -7.610 1.00 0.00 O ATOM 0 H GLU 1 14 9.815 3.944 -3.429 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.196 6.484 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.052 6.989 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.777 6.715 -4.411 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.772 4.178 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.519 5.180 -5.538 1.00 0.00 H new ATOM 203 N ASP 1 15 6.955 4.187 -2.907 1.00 0.00 N ATOM 204 CA ASP 1 15 5.618 3.686 -2.586 1.00 0.00 C ATOM 205 C ASP 1 15 4.536 4.589 -3.178 1.00 0.00 C ATOM 206 O ASP 1 15 3.357 4.450 -2.855 1.00 0.00 O ATOM 207 CB ASP 1 15 5.432 3.579 -1.069 1.00 0.00 C ATOM 208 CG ASP 1 15 6.625 2.944 -0.382 1.00 0.00 C ATOM 209 OD1 ASP 1 15 6.669 1.698 -0.302 1.00 0.00 O ATOM 210 OD2 ASP 1 15 7.514 3.692 0.077 1.00 0.00 O ATOM 0 H ASP 1 15 7.454 3.634 -3.604 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.521 2.694 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 5.265 4.574 -0.655 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 4.539 2.992 -0.856 1.00 0.00 H new ATOM 215 N CYS 1 16 4.948 5.510 -4.049 1.00 0.00 N ATOM 216 CA CYS 1 16 4.028 6.443 -4.700 1.00 0.00 C ATOM 217 C CYS 1 16 4.809 7.563 -5.371 1.00 0.00 C ATOM 218 O CYS 1 16 4.908 8.670 -4.842 1.00 0.00 O ATOM 219 CB CYS 1 16 3.033 7.033 -3.698 1.00 0.00 C ATOM 220 SG CYS 1 16 1.365 6.297 -3.761 1.00 0.00 S ATOM 0 H CYS 1 16 5.923 5.630 -4.322 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.466 5.890 -5.453 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.433 6.908 -2.692 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.950 8.105 -3.877 1.00 0.00 H new ATOM 225 N ASP 1 17 5.367 7.268 -6.538 1.00 0.00 N ATOM 226 CA ASP 1 17 6.143 8.253 -7.277 1.00 0.00 C ATOM 227 C ASP 1 17 5.732 8.299 -8.743 1.00 0.00 C ATOM 228 O ASP 1 17 5.147 7.354 -9.273 1.00 0.00 O ATOM 229 CB ASP 1 17 7.636 7.936 -7.169 1.00 0.00 C ATOM 230 CG ASP 1 17 8.495 8.879 -7.990 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.702 10.029 -7.551 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.959 8.467 -9.073 1.00 0.00 O ATOM 0 H ASP 1 17 5.297 6.357 -6.991 1.00 0.00 H new ATOM 0 HA ASP 1 17 5.945 9.231 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.940 7.991 -6.124 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.811 6.912 -7.499 1.00 0.00 H new ATOM 237 N CYS 1 18 6.063 9.408 -9.389 1.00 0.00 N ATOM 238 CA CYS 1 18 5.759 9.607 -10.799 1.00 0.00 C ATOM 239 C CYS 1 18 7.041 9.894 -11.573 1.00 0.00 C ATOM 240 O CYS 1 18 8.016 10.386 -11.006 1.00 0.00 O ATOM 241 CB CYS 1 18 4.792 10.777 -10.981 1.00 0.00 C ATOM 242 SG CYS 1 18 3.153 10.530 -10.226 1.00 0.00 S ATOM 0 H CYS 1 18 6.548 10.192 -8.953 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.295 8.697 -11.180 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.243 11.673 -10.555 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.662 10.962 -12.047 1.00 0.00 H new ATOM 247 N GLY 1 19 7.038 9.604 -12.869 1.00 0.00 N ATOM 248 CA GLY 1 19 8.214 9.867 -13.680 1.00 0.00 C ATOM 249 C GLY 1 19 8.683 11.300 -13.526 1.00 0.00 C ATOM 250 O GLY 1 19 9.855 11.556 -13.249 1.00 0.00 O ATOM 0 H GLY 1 19 6.250 9.195 -13.370 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.016 9.187 -13.392 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.988 9.667 -14.727 1.00 0.00 H new ATOM 254 N SER 1 20 7.750 12.232 -13.686 1.00 0.00 N ATOM 255 CA SER 1 20 8.043 13.651 -13.545 1.00 0.00 C ATOM 256 C SER 1 20 6.910 14.346 -12.792 1.00 0.00 C ATOM 257 O SER 1 20 5.739 14.023 -12.990 1.00 0.00 O ATOM 258 CB SER 1 20 8.242 14.301 -14.915 1.00 0.00 C ATOM 259 OG SER 1 20 9.050 13.492 -15.753 1.00 0.00 O ATOM 0 H SER 1 20 6.778 12.026 -13.915 1.00 0.00 H new ATOM 0 HA SER 1 20 8.967 13.759 -12.977 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.273 14.465 -15.387 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.706 15.280 -14.792 1.00 0.00 H new ATOM 0 HG SER 1 20 9.160 13.930 -16.623 1.00 0.00 H new ATOM 265 N PRO 1 21 7.238 15.309 -11.914 1.00 0.00 N ATOM 266 CA PRO 1 21 6.231 16.037 -11.133 1.00 0.00 C ATOM 267 C PRO 1 21 5.232 16.787 -12.013 1.00 0.00 C ATOM 268 O PRO 1 21 4.171 17.199 -11.545 1.00 0.00 O ATOM 269 CB PRO 1 21 7.055 17.023 -10.296 1.00 0.00 C ATOM 270 CG PRO 1 21 8.382 17.101 -10.971 1.00 0.00 C ATOM 271 CD PRO 1 21 8.604 15.760 -11.607 1.00 0.00 C ATOM 0 HA PRO 1 21 5.624 15.358 -10.534 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 6.576 18.001 -10.257 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.157 16.676 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 8.393 17.894 -11.719 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.171 17.328 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.216 15.836 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.114 15.073 -10.932 1.00 0.00 H new ATOM 279 N ALA 1 22 5.574 16.963 -13.286 1.00 0.00 N ATOM 280 CA ALA 1 22 4.702 17.664 -14.219 1.00 0.00 C ATOM 281 C ALA 1 22 3.689 16.713 -14.847 1.00 0.00 C ATOM 282 O ALA 1 22 2.539 17.083 -15.083 1.00 0.00 O ATOM 283 CB ALA 1 22 5.527 18.347 -15.299 1.00 0.00 C ATOM 0 H ALA 1 22 6.448 16.630 -13.693 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.151 18.422 -13.662 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.863 18.867 -15.990 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.206 19.065 -14.839 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.104 17.599 -15.844 1.00 0.00 H new ATOM 289 N ASN 1 23 4.122 15.485 -15.114 1.00 0.00 N ATOM 290 CA ASN 1 23 3.248 14.481 -15.713 1.00 0.00 C ATOM 291 C ASN 1 23 2.868 13.411 -14.696 1.00 0.00 C ATOM 292 O ASN 1 23 2.497 12.296 -15.062 1.00 0.00 O ATOM 293 CB ASN 1 23 3.915 13.834 -16.932 1.00 0.00 C ATOM 294 CG ASN 1 23 5.401 13.609 -16.742 1.00 0.00 C ATOM 295 OD1 ASN 1 23 6.226 14.308 -17.332 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.752 12.629 -15.919 1.00 0.00 N ATOM 0 H ASN 1 23 5.071 15.161 -14.926 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.339 14.986 -16.040 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 3.432 12.879 -17.140 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.757 14.468 -17.805 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 6.739 12.430 -15.754 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.035 12.075 -15.451 1.00 0.00 H new ATOM 303 N CYS 1 24 2.963 13.759 -13.418 1.00 0.00 N ATOM 304 CA CYS 1 24 2.632 12.835 -12.347 1.00 0.00 C ATOM 305 C CYS 1 24 1.171 12.419 -12.429 1.00 0.00 C ATOM 306 O CYS 1 24 0.305 13.010 -11.784 1.00 0.00 O ATOM 307 CB CYS 1 24 2.931 13.475 -10.993 1.00 0.00 C ATOM 308 SG CYS 1 24 2.639 12.381 -9.562 1.00 0.00 S ATOM 0 H CYS 1 24 3.268 14.679 -13.100 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.246 11.941 -12.456 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.971 13.800 -10.980 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.316 14.369 -10.883 1.00 0.00 H new ATOM 313 N GLN 1 25 0.907 11.399 -13.236 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.449 10.893 -13.423 1.00 0.00 C ATOM 315 C GLN 1 25 -0.865 9.963 -12.281 1.00 0.00 C ATOM 316 O GLN 1 25 -1.421 8.889 -12.512 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.558 10.162 -14.764 1.00 0.00 C ATOM 318 CG GLN 1 25 -1.170 11.010 -15.868 1.00 0.00 C ATOM 319 CD GLN 1 25 -1.046 10.365 -17.234 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.310 9.394 -17.411 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -1.768 10.904 -18.210 1.00 0.00 N ATOM 0 H GLN 1 25 1.617 10.903 -13.774 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.127 11.747 -13.421 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 0.435 9.838 -15.074 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -1.160 9.263 -14.631 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -2.223 11.184 -15.646 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.683 11.985 -15.885 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 -2.365 11.709 -18.018 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -1.726 10.513 -19.151 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.607 10.389 -11.049 1.00 0.00 N ATOM 331 CA ASP 1 26 -0.968 9.607 -9.876 1.00 0.00 C ATOM 332 C ASP 1 26 -1.586 10.514 -8.819 1.00 0.00 C ATOM 333 O ASP 1 26 -0.880 11.157 -8.045 1.00 0.00 O ATOM 334 CB ASP 1 26 0.259 8.894 -9.306 1.00 0.00 C ATOM 335 CG ASP 1 26 0.945 8.012 -10.331 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.262 7.553 -11.270 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.164 7.779 -10.193 1.00 0.00 O ATOM 0 H ASP 1 26 -0.148 11.275 -10.838 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.698 8.853 -10.171 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.968 9.636 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.041 8.287 -8.452 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.910 10.570 -8.806 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.631 11.408 -7.858 1.00 0.00 C ATOM 344 C ARG 1 27 -3.380 10.970 -6.418 1.00 0.00 C ATOM 345 O ARG 1 27 -3.535 11.759 -5.486 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.126 11.373 -8.168 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.944 12.348 -7.338 1.00 0.00 C ATOM 348 CD ARG 1 27 -6.201 13.643 -8.092 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.223 14.800 -7.201 1.00 0.00 N ATOM 350 CZ ARG 1 27 -6.379 16.054 -7.618 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.527 16.317 -8.911 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -6.388 17.048 -6.741 1.00 0.00 N ATOM 0 H ARG 1 27 -3.508 10.044 -9.443 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.263 12.429 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.274 11.595 -9.225 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.500 10.363 -7.999 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.895 11.889 -7.067 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.419 12.565 -6.408 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -5.428 13.782 -8.848 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.153 13.573 -8.619 1.00 0.00 H new ATOM 0 HE ARG 1 27 -6.112 14.637 -6.200 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -6.521 15.556 -9.590 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -6.646 17.280 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -6.275 16.852 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -6.508 18.009 -7.061 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.989 9.712 -6.238 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.717 9.186 -4.905 1.00 0.00 C ATOM 368 C CYS 1 28 -1.215 9.004 -4.674 1.00 0.00 C ATOM 369 O CYS 1 28 -0.802 8.368 -3.704 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.448 7.856 -4.701 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.125 8.032 -4.007 1.00 0.00 S ATOM 0 H CYS 1 28 -2.854 9.041 -6.994 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.084 9.910 -4.178 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.514 7.339 -5.658 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.856 7.225 -4.038 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.402 9.572 -5.565 1.00 0.00 N ATOM 377 CA CYS 1 29 1.051 9.474 -5.449 1.00 0.00 C ATOM 378 C CYS 1 29 1.727 10.695 -6.070 1.00 0.00 C ATOM 379 O CYS 1 29 1.405 11.091 -7.189 1.00 0.00 O ATOM 380 CB CYS 1 29 1.561 8.205 -6.135 1.00 0.00 C ATOM 381 SG CYS 1 29 0.698 6.678 -5.643 1.00 0.00 S ATOM 0 H CYS 1 29 -0.725 10.104 -6.373 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.299 9.432 -4.388 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.467 8.328 -7.214 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.623 8.092 -5.918 1.00 0.00 H new ATOM 386 N ASN 1 30 2.667 11.288 -5.339 1.00 0.00 N ATOM 387 CA ASN 1 30 3.383 12.462 -5.827 1.00 0.00 C ATOM 388 C ASN 1 30 4.854 12.142 -6.090 1.00 0.00 C ATOM 389 O ASN 1 30 5.512 11.470 -5.287 1.00 0.00 O ATOM 390 CB ASN 1 30 3.259 13.613 -4.822 1.00 0.00 C ATOM 391 CG ASN 1 30 4.156 14.790 -5.160 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.889 15.279 -4.166 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 4.189 15.253 -6.300 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.950 10.976 -4.410 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.932 12.766 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.223 13.950 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.507 13.247 -3.826 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.608 14.845 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.797 16.044 -6.512 1.00 0.00 H new ATOM 400 N ALA 1 31 5.358 12.632 -7.225 1.00 0.00 N ATOM 401 CA ALA 1 31 6.747 12.414 -7.616 1.00 0.00 C ATOM 402 C ALA 1 31 7.692 13.296 -6.808 1.00 0.00 C ATOM 403 O ALA 1 31 8.787 12.875 -6.435 1.00 0.00 O ATOM 404 CB ALA 1 31 6.922 12.690 -9.102 1.00 0.00 C ATOM 0 H ALA 1 31 4.819 13.185 -7.891 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.995 11.373 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.962 12.524 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.280 12.020 -9.675 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.649 13.724 -9.315 1.00 0.00 H new ATOM 410 N ALA 1 32 7.259 14.524 -6.546 1.00 0.00 N ATOM 411 CA ALA 1 32 8.063 15.476 -5.787 1.00 0.00 C ATOM 412 C ALA 1 32 8.335 14.979 -4.368 1.00 0.00 C ATOM 413 O ALA 1 32 9.172 15.537 -3.659 1.00 0.00 O ATOM 414 CB ALA 1 32 7.370 16.830 -5.747 1.00 0.00 C ATOM 0 H ALA 1 32 6.354 14.885 -6.848 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.024 15.578 -6.291 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.978 17.533 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.240 17.202 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.395 16.726 -5.271 1.00 0.00 H new ATOM 420 N THR 1 33 7.626 13.932 -3.957 1.00 0.00 N ATOM 421 CA THR 1 33 7.797 13.372 -2.624 1.00 0.00 C ATOM 422 C THR 1 33 8.188 11.905 -2.696 1.00 0.00 C ATOM 423 O THR 1 33 8.697 11.342 -1.726 1.00 0.00 O ATOM 424 CB THR 1 33 6.498 13.503 -1.826 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.702 13.140 -0.472 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.375 12.640 -2.369 1.00 0.00 C ATOM 0 H THR 1 33 6.928 13.456 -4.529 1.00 0.00 H new ATOM 0 HA THR 1 33 8.593 13.928 -2.128 1.00 0.00 H new ATOM 0 HB THR 1 33 6.208 14.550 -1.914 1.00 0.00 H new ATOM 0 HG1 THR 1 33 7.500 12.575 -0.401 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.482 12.779 -1.759 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.160 12.928 -3.398 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.675 11.592 -2.340 1.00 0.00 H new ATOM 434 N CYS 1 34 7.914 11.276 -3.834 1.00 0.00 N ATOM 435 CA CYS 1 34 8.205 9.866 -3.997 1.00 0.00 C ATOM 436 C CYS 1 34 7.430 9.088 -2.943 1.00 0.00 C ATOM 437 O CYS 1 34 7.955 8.176 -2.311 1.00 0.00 O ATOM 438 CB CYS 1 34 9.709 9.600 -3.861 1.00 0.00 C ATOM 439 SG CYS 1 34 10.603 9.491 -5.448 1.00 0.00 S ATOM 0 H CYS 1 34 7.493 11.721 -4.650 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.903 9.544 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 10.153 10.395 -3.262 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.853 8.669 -3.313 1.00 0.00 H new ATOM 444 N LYS 1 35 6.176 9.483 -2.742 1.00 0.00 N ATOM 445 CA LYS 1 35 5.328 8.844 -1.744 1.00 0.00 C ATOM 446 C LYS 1 35 3.862 9.223 -1.941 1.00 0.00 C ATOM 447 O LYS 1 35 3.532 10.063 -2.779 1.00 0.00 O ATOM 448 CB LYS 1 35 5.809 9.225 -0.334 1.00 0.00 C ATOM 449 CG LYS 1 35 5.016 10.344 0.331 1.00 0.00 C ATOM 450 CD LYS 1 35 5.457 10.555 1.769 1.00 0.00 C ATOM 451 CE LYS 1 35 6.863 11.127 1.847 1.00 0.00 C ATOM 452 NZ LYS 1 35 6.852 12.601 2.056 1.00 0.00 N ATOM 0 H LYS 1 35 5.727 10.241 -3.256 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.404 7.763 -1.863 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.765 8.340 0.301 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.855 9.525 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 5.147 11.269 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.953 10.104 0.306 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 4.761 11.230 2.268 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 5.420 9.606 2.304 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.405 10.649 2.663 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 7.401 10.895 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.708 12.885 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 6.830 13.082 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 6.010 12.867 2.606 1.00 0.00 H new ATOM 466 N LEU 1 36 2.987 8.591 -1.163 1.00 0.00 N ATOM 467 CA LEU 1 36 1.552 8.849 -1.245 1.00 0.00 C ATOM 468 C LEU 1 36 1.248 10.339 -1.121 1.00 0.00 C ATOM 469 O LEU 1 36 1.973 11.080 -0.457 1.00 0.00 O ATOM 470 CB LEU 1 36 0.814 8.078 -0.149 1.00 0.00 C ATOM 471 CG LEU 1 36 0.721 6.565 -0.370 1.00 0.00 C ATOM 472 CD1 LEU 1 36 1.000 5.817 0.925 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.648 6.190 -0.919 1.00 0.00 C ATOM 0 H LEU 1 36 3.248 7.894 -0.466 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.208 8.510 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.314 8.261 0.802 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.195 8.479 -0.061 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.476 6.277 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.929 4.744 0.748 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 2.002 6.061 1.278 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.269 6.109 1.679 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.697 5.112 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.419 6.492 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.810 6.697 -1.870 1.00 0.00 H new ATOM 485 N THR 1 37 0.166 10.769 -1.762 1.00 0.00 N ATOM 486 CA THR 1 37 -0.244 12.168 -1.724 1.00 0.00 C ATOM 487 C THR 1 37 -1.209 12.416 -0.568 1.00 0.00 C ATOM 488 O THR 1 37 -1.784 11.476 -0.019 1.00 0.00 O ATOM 489 CB THR 1 37 -0.907 12.562 -3.045 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.641 11.475 -3.579 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.080 13.010 -4.100 1.00 0.00 C ATOM 0 H THR 1 37 -0.444 10.167 -2.315 1.00 0.00 H new ATOM 0 HA THR 1 37 0.646 12.780 -1.574 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.560 13.400 -2.802 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.166 11.781 -4.348 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.456 13.275 -5.011 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.631 13.878 -3.738 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.778 12.200 -4.312 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.407 13.689 -0.184 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.314 14.050 0.909 1.00 0.00 C ATOM 501 C PRO 1 38 -3.709 13.468 0.706 1.00 0.00 C ATOM 502 O PRO 1 38 -4.402 13.810 -0.252 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.358 15.586 0.865 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.746 15.966 -0.443 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.775 14.873 -0.779 1.00 0.00 C ATOM 0 HA PRO 1 38 -1.972 13.658 1.867 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.382 15.951 0.940 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -1.804 16.018 1.698 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.508 16.062 -1.217 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.240 16.929 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.644 14.764 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.211 15.062 -0.355 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.111 12.581 1.610 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.418 11.959 1.510 1.00 0.00 C ATOM 515 C GLY 1 39 -5.328 10.486 1.162 1.00 0.00 C ATOM 516 O GLY 1 39 -6.207 9.702 1.519 1.00 0.00 O ATOM 0 H GLY 1 39 -3.554 12.282 2.411 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -5.947 12.075 2.456 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.006 12.474 0.751 1.00 0.00 H new ATOM 520 N SER 1 40 -4.260 10.110 0.465 1.00 0.00 N ATOM 521 CA SER 1 40 -4.052 8.723 0.069 1.00 0.00 C ATOM 522 C SER 1 40 -3.091 8.029 1.027 1.00 0.00 C ATOM 523 O SER 1 40 -1.983 8.509 1.265 1.00 0.00 O ATOM 524 CB SER 1 40 -3.506 8.654 -1.358 1.00 0.00 C ATOM 525 OG SER 1 40 -2.115 8.923 -1.386 1.00 0.00 O ATOM 0 H SER 1 40 -3.524 10.749 0.163 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.013 8.210 0.106 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -3.697 7.666 -1.776 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -4.031 9.373 -1.987 1.00 0.00 H new ATOM 0 HG SER 1 40 -1.741 8.625 -2.242 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.523 6.901 1.578 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.700 6.145 2.515 1.00 0.00 C ATOM 533 C GLN 1 41 -2.294 4.794 1.932 1.00 0.00 C ATOM 534 O GLN 1 41 -1.285 4.215 2.335 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.453 5.937 3.829 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.527 7.186 4.693 1.00 0.00 C ATOM 537 CD GLN 1 41 -3.271 6.896 6.159 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -2.312 7.400 6.745 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -4.130 6.081 6.760 1.00 0.00 N ATOM 0 H GLN 1 41 -4.438 6.490 1.393 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.794 6.721 2.704 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.465 5.598 3.608 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.967 5.142 4.395 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.797 7.913 4.337 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.511 7.642 4.583 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -4.911 5.686 6.236 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -4.009 5.850 7.746 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.085 4.292 0.989 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.802 3.004 0.366 1.00 0.00 C ATOM 550 C CYS 1 42 -3.107 3.023 -1.126 1.00 0.00 C ATOM 551 O CYS 1 42 -4.246 2.809 -1.541 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.606 1.903 1.045 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.644 0.385 1.335 1.00 0.00 S ATOM 0 H CYS 1 42 -3.924 4.756 0.641 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.737 2.805 0.489 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.984 2.273 1.998 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.473 1.664 0.430 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.078 3.265 -1.929 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.229 3.294 -3.379 1.00 0.00 C ATOM 560 C ASN 1 43 -1.694 2.008 -4.005 1.00 0.00 C ATOM 561 O ASN 1 43 -1.605 1.893 -5.228 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.495 4.499 -3.965 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.760 4.671 -5.448 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.764 5.261 -5.847 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.857 4.154 -6.274 1.00 0.00 N ATOM 0 H ASN 1 43 -1.129 3.444 -1.600 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.292 3.377 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.803 5.401 -3.436 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.424 4.384 -3.801 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.981 4.238 -7.283 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.039 3.673 -5.899 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.337 1.043 -3.159 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.809 -0.235 -3.628 1.00 0.00 C ATOM 574 C TYR 1 44 -0.469 -1.128 -2.436 1.00 0.00 C ATOM 575 O TYR 1 44 0.358 -0.771 -1.597 1.00 0.00 O ATOM 576 CB TYR 1 44 0.417 -0.008 -4.529 1.00 0.00 C ATOM 577 CG TYR 1 44 1.724 -0.507 -3.953 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.963 -1.867 -3.808 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.713 0.381 -3.553 1.00 0.00 C ATOM 580 CE1 TYR 1 44 3.149 -2.329 -3.279 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.906 -0.072 -3.025 1.00 0.00 C ATOM 582 CZ TYR 1 44 4.120 -1.429 -2.889 1.00 0.00 C ATOM 583 OH TYR 1 44 5.305 -1.886 -2.361 1.00 0.00 O ATOM 0 H TYR 1 44 -1.404 1.123 -2.144 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.569 -0.741 -4.224 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.245 -0.502 -5.485 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.509 1.059 -4.733 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 1.207 -2.575 -4.115 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.547 1.443 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.318 -3.390 -3.170 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.667 0.631 -2.720 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.880 -1.124 -2.139 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.130 -2.277 -2.358 1.00 0.00 N ATOM 594 CA GLY 1 45 -0.907 -3.193 -1.254 1.00 0.00 C ATOM 595 C GLY 1 45 -2.172 -3.937 -0.861 1.00 0.00 C ATOM 596 O GLY 1 45 -3.271 -3.578 -1.285 1.00 0.00 O ATOM 0 H GLY 1 45 -1.819 -2.592 -3.042 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.136 -3.912 -1.531 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.532 -2.638 -0.394 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.015 -4.982 -0.055 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.142 -5.796 0.389 1.00 0.00 C ATOM 602 C GLU 1 46 -4.189 -4.980 1.143 1.00 0.00 C ATOM 603 O GLU 1 46 -5.389 -5.132 0.916 1.00 0.00 O ATOM 604 CB GLU 1 46 -2.636 -6.920 1.292 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.352 -8.217 0.554 1.00 0.00 C ATOM 606 CD GLU 1 46 -1.418 -8.026 -0.625 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -1.849 -7.424 -1.632 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.257 -8.477 -0.542 1.00 0.00 O ATOM 0 H GLU 1 46 -1.111 -5.287 0.307 1.00 0.00 H new ATOM 0 HA GLU 1 46 -3.619 -6.203 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -1.725 -6.590 1.792 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.376 -7.110 2.070 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -1.914 -8.936 1.246 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.291 -8.644 0.203 1.00 0.00 H new ATOM 615 N CYS 1 47 -3.729 -4.145 2.063 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.625 -3.336 2.882 1.00 0.00 C ATOM 617 C CYS 1 47 -5.265 -2.185 2.104 1.00 0.00 C ATOM 618 O CYS 1 47 -6.221 -1.574 2.577 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.860 -2.784 4.083 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.886 -3.873 5.540 1.00 0.00 S ATOM 0 H CYS 1 47 -2.738 -4.008 2.263 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.435 -3.986 3.212 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.824 -2.608 3.792 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.282 -1.817 4.357 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.732 -1.870 0.930 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.262 -0.767 0.137 1.00 0.00 C ATOM 627 C CYS 1 48 -6.653 -1.053 -0.413 1.00 0.00 C ATOM 628 O CYS 1 48 -6.963 -2.167 -0.834 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.304 -0.427 -1.000 1.00 0.00 C ATOM 630 SG CYS 1 48 -2.565 -0.459 -0.495 1.00 0.00 S ATOM 0 H CYS 1 48 -3.941 -2.357 0.509 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.355 0.089 0.805 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -4.452 -1.134 -1.816 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.546 0.563 -1.388 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.477 -0.011 -0.405 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.845 -0.085 -0.897 1.00 0.00 C ATOM 637 C ASP 1 49 -9.415 1.323 -1.027 1.00 0.00 C ATOM 638 O ASP 1 49 -9.633 2.007 -0.027 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.711 -0.921 0.047 1.00 0.00 C ATOM 640 CG ASP 1 49 -10.800 -1.679 -0.686 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.512 -2.232 -1.769 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.940 -1.720 -0.179 1.00 0.00 O ATOM 0 H ASP 1 49 -7.213 0.910 -0.056 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.845 -0.566 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.079 -1.628 0.585 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.165 -0.268 0.792 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.633 1.762 -2.262 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.157 3.100 -2.513 1.00 0.00 C ATOM 649 C GLN 1 50 -9.150 4.158 -2.064 1.00 0.00 C ATOM 650 O GLN 1 50 -9.526 5.247 -1.632 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.493 3.300 -1.790 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.704 3.117 -2.691 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.286 4.437 -3.158 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -12.871 5.505 -2.711 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.255 4.368 -4.064 1.00 0.00 N ATOM 0 H GLN 1 50 -9.456 1.213 -3.103 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.324 3.208 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.557 2.595 -0.961 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.518 4.301 -1.360 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.420 2.522 -3.559 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.469 2.555 -2.156 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.568 3.460 -4.407 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.686 5.223 -4.416 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.866 3.821 -2.172 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.790 4.728 -1.782 1.00 0.00 C ATOM 666 C CYS 1 51 -6.790 4.974 -0.274 1.00 0.00 C ATOM 667 O CYS 1 51 -6.333 6.016 0.195 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.904 6.056 -2.536 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.871 6.144 -4.036 1.00 0.00 S ATOM 0 H CYS 1 51 -7.545 2.921 -2.529 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.845 4.254 -2.047 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.946 6.217 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.624 6.869 -1.866 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.298 4.002 0.481 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.349 4.107 1.936 1.00 0.00 C ATOM 676 C ARG 1 52 -7.056 2.754 2.579 1.00 0.00 C ATOM 677 O ARG 1 52 -7.451 1.713 2.053 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.721 4.613 2.386 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.993 6.059 2.003 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.888 6.986 3.204 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.604 7.680 3.249 1.00 0.00 N ATOM 682 CZ ARG 1 52 -7.324 8.667 4.098 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.234 9.077 4.973 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -6.131 9.244 4.073 1.00 0.00 N ATOM 0 H ARG 1 52 -7.680 3.133 0.108 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.589 4.820 2.256 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.493 3.979 1.950 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.799 4.512 3.469 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.283 6.373 1.237 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.989 6.139 1.567 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.695 7.718 3.168 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -9.021 6.410 4.120 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.879 7.392 2.592 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.153 8.636 4.997 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.014 9.833 5.621 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -5.428 8.932 3.404 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -5.916 10.000 4.723 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.360 2.767 3.714 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.024 1.527 4.404 1.00 0.00 C ATOM 700 C PHE 1 53 -7.275 0.773 4.807 1.00 0.00 C ATOM 701 O PHE 1 53 -8.256 1.364 5.259 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.161 1.791 5.643 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.748 2.174 5.317 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.130 1.678 4.184 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -3.036 3.026 6.145 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.835 2.021 3.877 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.733 3.375 5.843 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.131 2.871 4.707 1.00 0.00 C ATOM 0 H PHE 1 53 -6.021 3.614 4.170 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.451 0.917 3.706 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.618 2.586 6.232 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.152 0.897 6.267 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.673 1.011 3.531 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.503 3.421 7.035 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.368 1.626 2.987 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -1.187 4.041 6.495 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.113 3.141 4.468 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.230 -0.539 4.644 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.361 -1.382 4.997 1.00 0.00 C ATOM 720 C LYS 1 54 -8.589 -1.350 6.502 1.00 0.00 C ATOM 721 O LYS 1 54 -7.909 -2.044 7.254 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.127 -2.816 4.522 1.00 0.00 C ATOM 723 CG LYS 1 54 -8.938 -3.179 3.289 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.181 -4.132 2.381 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.817 -4.203 1.003 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.769 -5.579 0.437 1.00 0.00 N ATOM 0 H LYS 1 54 -6.425 -1.042 4.271 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.252 -0.997 4.501 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.068 -2.951 4.305 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.377 -3.504 5.329 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -9.879 -3.637 3.594 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.188 -2.273 2.738 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.145 -3.805 2.290 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.163 -5.126 2.827 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.854 -3.872 1.065 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.303 -3.516 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.213 -5.583 -0.503 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.779 -5.886 0.354 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.282 -6.231 1.065 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.545 -0.526 6.931 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.874 -0.376 8.351 1.00 0.00 C ATOM 742 C LYS 1 55 -9.559 -1.644 9.139 1.00 0.00 C ATOM 743 O LYS 1 55 -9.984 -2.741 8.766 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.352 -0.018 8.515 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.753 0.262 9.954 1.00 0.00 C ATOM 746 CD LYS 1 55 -10.921 1.382 10.557 1.00 0.00 C ATOM 747 CE LYS 1 55 -11.312 1.651 12.002 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.670 2.253 12.107 1.00 0.00 N ATOM 0 H LYS 1 55 -10.110 0.053 6.310 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.257 0.430 8.749 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.575 0.859 7.907 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.961 -0.836 8.129 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -12.809 0.530 9.993 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.632 -0.643 10.549 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -9.864 1.119 10.508 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -11.051 2.290 9.969 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -11.284 0.718 12.565 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -10.582 2.320 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -12.845 2.545 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -12.731 3.083 11.483 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.383 1.552 11.822 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.801 -1.488 10.224 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.424 -2.622 11.057 1.00 0.00 C ATOM 764 C ALA 1 56 -9.600 -3.566 11.244 1.00 0.00 C ATOM 765 O ALA 1 56 -10.696 -3.145 11.614 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.912 -2.156 12.407 1.00 0.00 C ATOM 0 H ALA 1 56 -8.439 -0.590 10.543 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.622 -3.157 10.548 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.637 -3.021 13.010 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -7.038 -1.520 12.265 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.692 -1.591 12.917 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.374 -4.836 10.962 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.436 -5.814 11.080 1.00 0.00 C ATOM 774 C GLY 1 57 -10.775 -6.429 9.740 1.00 0.00 C ATOM 775 O GLY 1 57 -11.505 -7.418 9.668 1.00 0.00 O ATOM 0 H GLY 1 57 -8.476 -5.210 10.654 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -10.135 -6.598 11.775 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -11.324 -5.340 11.499 1.00 0.00 H new ATOM 779 N THR 1 58 -10.228 -5.850 8.673 1.00 0.00 N ATOM 780 CA THR 1 58 -10.453 -6.355 7.328 1.00 0.00 C ATOM 781 C THR 1 58 -9.547 -7.554 7.061 1.00 0.00 C ATOM 782 O THR 1 58 -8.327 -7.412 6.977 1.00 0.00 O ATOM 783 CB THR 1 58 -10.176 -5.257 6.302 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.057 -4.163 6.486 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.318 -5.726 4.873 1.00 0.00 C ATOM 0 H THR 1 58 -9.625 -5.029 8.718 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.493 -6.669 7.240 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.140 -4.961 6.469 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.758 -3.627 7.250 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.108 -4.898 4.196 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.614 -6.537 4.684 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.335 -6.082 4.706 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.143 -8.735 6.940 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.374 -9.949 6.696 1.00 0.00 C ATOM 795 C VAL 1 59 -8.806 -9.978 5.280 1.00 0.00 C ATOM 796 O VAL 1 59 -9.552 -9.937 4.302 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.226 -11.217 6.918 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.410 -11.241 5.963 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.376 -12.472 6.760 1.00 0.00 C ATOM 0 H VAL 1 59 -11.151 -8.877 7.006 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.553 -9.940 7.412 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.612 -11.196 7.937 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -11.998 -12.142 6.135 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.033 -10.363 6.134 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.048 -11.235 4.935 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -9.996 -13.354 6.921 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.955 -12.502 5.755 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.568 -12.459 7.491 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.482 -10.063 5.177 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.823 -10.113 3.872 1.00 0.00 C ATOM 811 C CYS 1 60 -6.229 -11.494 3.603 1.00 0.00 C ATOM 812 O CYS 1 60 -5.981 -11.860 2.454 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.712 -9.066 3.780 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.154 -7.437 4.455 1.00 0.00 S ATOM 0 H CYS 1 60 -6.847 -10.099 5.975 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.584 -9.901 3.121 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.834 -9.438 4.309 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.428 -8.947 2.734 1.00 0.00 H new ATOM 819 N ARG 1 61 -5.989 -12.251 4.669 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.405 -13.585 4.547 1.00 0.00 C ATOM 821 C ARG 1 61 -5.816 -14.486 5.711 1.00 0.00 C ATOM 822 O ARG 1 61 -6.369 -14.024 6.708 1.00 0.00 O ATOM 823 CB ARG 1 61 -3.878 -13.485 4.492 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.316 -13.421 3.081 1.00 0.00 C ATOM 825 CD ARG 1 61 -1.826 -13.725 3.065 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.104 -12.994 4.105 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.646 -11.754 3.963 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.837 -11.090 2.829 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.003 -11.174 4.962 1.00 0.00 N ATOM 0 H ARG 1 61 -6.189 -11.965 5.627 1.00 0.00 H new ATOM 0 HA ARG 1 61 -5.780 -14.028 3.624 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.562 -12.597 5.039 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.448 -14.345 5.005 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -3.841 -14.134 2.445 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.492 -12.430 2.662 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -1.673 -14.795 3.203 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -1.414 -13.467 2.089 1.00 0.00 H new ATOM 0 HE ARG 1 61 -0.941 -13.465 4.995 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -1.339 -11.531 2.058 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -0.482 -10.139 2.729 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.150 -11.679 5.836 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 0.356 -10.223 4.857 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.534 -15.778 5.570 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.855 -16.764 6.595 1.00 0.00 C ATOM 845 C ILE 1 62 -4.931 -17.967 6.465 1.00 0.00 C ATOM 846 O ILE 1 62 -4.847 -18.584 5.403 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.316 -17.261 6.507 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -8.279 -16.114 6.191 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.718 -17.938 7.808 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.206 -15.640 4.758 1.00 0.00 C ATOM 0 H ILE 1 62 -5.078 -16.169 4.745 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.721 -16.269 7.557 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.376 -17.983 5.692 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -9.298 -16.436 6.407 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.063 -15.276 6.854 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.749 -18.284 7.735 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.062 -18.789 7.993 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.632 -17.227 8.630 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -8.916 -14.826 4.607 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.198 -15.287 4.543 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.452 -16.465 4.089 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.236 -18.292 7.546 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.309 -19.421 7.551 1.00 0.00 C ATOM 864 C ALA 1 63 -3.930 -20.658 6.910 1.00 0.00 C ATOM 865 O ALA 1 63 -3.526 -21.074 5.824 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.851 -19.726 8.970 1.00 0.00 C ATOM 0 H ALA 1 63 -4.295 -17.791 8.433 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.441 -19.141 6.955 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.161 -20.570 8.956 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.348 -18.853 9.386 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.715 -19.974 9.586 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.917 -21.238 7.584 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.595 -22.427 7.070 1.00 0.00 C ATOM 874 C ARG 1 64 -6.659 -22.926 8.044 1.00 0.00 C ATOM 875 O ARG 1 64 -6.522 -23.997 8.636 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.581 -23.542 6.790 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.879 -24.331 5.525 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.753 -23.462 4.285 1.00 0.00 C ATOM 879 NE ARG 1 64 -5.762 -23.792 3.281 1.00 0.00 N ATOM 880 CZ ARG 1 64 -6.103 -22.984 2.279 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -5.518 -21.800 2.143 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -7.030 -23.362 1.409 1.00 0.00 N ATOM 0 H ARG 1 64 -5.266 -20.908 8.484 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.089 -22.149 6.139 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.586 -23.105 6.710 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -4.561 -24.226 7.639 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -4.193 -25.175 5.451 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -5.886 -24.744 5.581 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -4.850 -22.413 4.566 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -3.759 -23.586 3.855 1.00 0.00 H new ATOM 0 HE ARG 1 64 -6.233 -24.694 3.352 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -4.803 -21.505 2.808 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -5.783 -21.185 1.373 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -7.481 -24.271 1.508 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -7.291 -22.743 0.641 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.724 -22.148 8.200 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.794 -22.537 9.098 1.00 0.00 C ATOM 898 C GLY 1 65 -9.476 -21.347 9.741 1.00 0.00 C ATOM 899 O GLY 1 65 -10.146 -20.566 9.066 1.00 0.00 O ATOM 0 H GLY 1 65 -7.865 -21.258 7.722 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.532 -23.120 8.547 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.392 -23.185 9.877 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.303 -21.211 11.050 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.905 -20.109 11.789 1.00 0.00 C ATOM 905 C ASP 1 66 -9.342 -20.031 13.204 1.00 0.00 C ATOM 906 O ASP 1 66 -9.948 -20.524 14.155 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.425 -20.267 11.839 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.118 -19.563 10.689 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.816 -18.375 10.451 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.964 -20.201 10.027 1.00 0.00 O ATOM 0 H ASP 1 66 -8.751 -21.850 11.621 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.662 -19.182 11.269 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.678 -21.327 11.818 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.798 -19.869 12.783 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.177 -19.409 13.330 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.516 -19.260 14.623 1.00 0.00 C ATOM 917 C TRP 1 67 -7.324 -17.786 14.951 1.00 0.00 C ATOM 918 O TRP 1 67 -7.964 -17.244 15.853 1.00 0.00 O ATOM 919 CB TRP 1 67 -6.158 -19.972 14.607 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.762 -20.471 13.252 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.386 -19.719 12.175 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.713 -21.833 12.826 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.111 -20.533 11.107 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.302 -21.836 11.482 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.977 -23.050 13.454 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.149 -23.010 10.754 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.826 -24.219 12.731 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.414 -24.191 11.392 1.00 0.00 C ATOM 0 H TRP 1 67 -7.667 -18.997 12.549 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.145 -19.713 15.389 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.393 -19.286 14.971 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.189 -20.812 15.300 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.316 -18.641 12.166 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.813 -20.219 10.183 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.294 -23.079 14.486 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.832 -22.991 9.722 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.029 -25.168 13.205 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.303 -25.120 10.853 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.443 -17.148 14.197 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.154 -15.730 14.373 1.00 0.00 C ATOM 941 C ASN 1 68 -6.603 -14.947 13.145 1.00 0.00 C ATOM 942 O ASN 1 68 -7.088 -13.821 13.253 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.658 -15.506 14.616 1.00 0.00 C ATOM 944 CG ASN 1 68 -4.017 -16.629 15.410 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.721 -17.735 14.736 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.790 -16.504 16.613 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.910 -17.593 13.450 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.703 -15.375 15.245 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -4.149 -15.409 13.657 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.518 -14.565 15.148 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.034 -15.636 17.091 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.358 -17.268 17.133 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.445 -15.562 11.975 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.839 -14.938 10.717 1.00 0.00 C ATOM 955 C ASP 1 69 -6.043 -13.669 10.453 1.00 0.00 C ATOM 956 O ASP 1 69 -5.742 -12.910 11.373 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.328 -14.605 10.737 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.183 -15.727 10.180 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.164 -16.832 10.760 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.870 -15.499 9.162 1.00 0.00 O ATOM 0 H ASP 1 69 -6.045 -16.495 11.873 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.631 -15.649 9.918 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.635 -14.393 11.761 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.502 -13.698 10.157 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.717 -13.436 9.187 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.968 -12.248 8.803 1.00 0.00 C ATOM 967 C ASP 1 70 -5.889 -11.041 8.756 1.00 0.00 C ATOM 968 O ASP 1 70 -6.940 -11.081 8.118 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.306 -12.449 7.443 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.236 -11.419 7.162 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.550 -10.213 7.222 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.087 -11.819 6.879 1.00 0.00 O ATOM 0 H ASP 1 70 -5.959 -14.053 8.412 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.191 -12.075 9.548 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.867 -13.446 7.400 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.065 -12.402 6.662 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.507 -9.975 9.450 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.336 -8.781 9.491 1.00 0.00 C ATOM 979 C TYR 1 71 -5.537 -7.497 9.371 1.00 0.00 C ATOM 980 O TYR 1 71 -4.456 -7.361 9.942 1.00 0.00 O ATOM 981 CB TYR 1 71 -7.127 -8.757 10.788 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.348 -9.626 10.736 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.475 -9.202 10.062 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.369 -10.867 11.348 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.603 -9.986 9.996 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.490 -11.665 11.289 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.610 -11.221 10.613 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.733 -12.013 10.551 1.00 0.00 O ATOM 0 H TYR 1 71 -4.640 -9.914 9.984 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.001 -8.828 8.629 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.486 -9.086 11.606 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.424 -7.732 11.009 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.471 -8.237 9.577 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.495 -11.214 11.879 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.477 -9.638 9.465 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.493 -12.633 11.769 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.571 -12.849 11.036 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.103 -6.549 8.637 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.477 -5.251 8.444 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.461 -4.474 9.755 1.00 0.00 C ATOM 1001 O CYS 1 72 -6.188 -4.809 10.691 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.227 -4.457 7.375 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.300 -3.033 6.723 1.00 0.00 S ATOM 0 H CYS 1 72 -7.000 -6.657 8.163 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.450 -5.405 8.113 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.476 -5.124 6.550 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.169 -4.103 7.794 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.629 -3.442 9.823 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.525 -2.627 11.029 1.00 0.00 C ATOM 1010 C THR 1 73 -4.844 -1.161 10.739 1.00 0.00 C ATOM 1011 O THR 1 73 -4.609 -0.290 11.577 1.00 0.00 O ATOM 1012 CB THR 1 73 -3.122 -2.751 11.626 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -2.214 -1.893 10.959 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.565 -4.157 11.553 1.00 0.00 C ATOM 0 H THR 1 73 -4.018 -3.150 9.060 1.00 0.00 H new ATOM 0 HA THR 1 73 -5.257 -2.994 11.748 1.00 0.00 H new ATOM 0 HB THR 1 73 -3.228 -2.472 12.674 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.323 -1.986 11.357 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.568 -4.177 11.993 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -3.217 -4.836 12.102 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.508 -4.472 10.511 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.383 -0.892 9.551 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.727 0.468 9.177 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.590 1.447 9.405 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.821 2.639 9.604 1.00 0.00 O ATOM 0 H GLY 1 74 -5.587 -1.595 8.840 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -6.013 0.489 8.125 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.597 0.789 9.751 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.360 0.943 9.381 1.00 0.00 N ATOM 1030 CA LYS 1 75 -2.190 1.788 9.592 1.00 0.00 C ATOM 1031 C LYS 1 75 -1.092 1.505 8.566 1.00 0.00 C ATOM 1032 O LYS 1 75 -0.001 2.069 8.651 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.640 1.584 11.005 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.703 1.662 12.090 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.314 2.641 13.187 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.021 2.226 13.870 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.166 2.886 13.261 1.00 0.00 N ATOM 0 H LYS 1 75 -3.148 -0.041 9.218 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.508 2.823 9.468 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -1.149 0.612 11.058 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.877 2.337 11.201 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -3.652 1.967 11.649 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.856 0.673 12.522 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -2.199 3.638 12.762 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -3.114 2.699 13.925 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.073 2.478 14.929 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -0.908 1.144 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.807 3.210 14.013 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.664 2.208 12.649 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -0.143 3.701 12.694 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.374 0.634 7.598 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.388 0.301 6.576 1.00 0.00 C ATOM 1053 C SER 1 76 -1.006 -0.508 5.440 1.00 0.00 C ATOM 1054 O SER 1 76 -2.163 -0.923 5.511 1.00 0.00 O ATOM 1055 CB SER 1 76 0.771 -0.481 7.197 1.00 0.00 C ATOM 1056 OG SER 1 76 1.780 0.393 7.673 1.00 0.00 O ATOM 0 H SER 1 76 -2.268 0.152 7.502 1.00 0.00 H new ATOM 0 HA SER 1 76 -0.016 1.237 6.160 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.401 -1.095 8.018 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.194 -1.160 6.456 1.00 0.00 H new ATOM 0 HG SER 1 76 1.365 1.155 8.128 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.213 -0.733 4.395 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.656 -1.499 3.233 1.00 0.00 C ATOM 1064 C SER 1 77 -0.391 -2.988 3.429 1.00 0.00 C ATOM 1065 O SER 1 77 -0.482 -3.772 2.483 1.00 0.00 O ATOM 1066 CB SER 1 77 0.066 -1.011 1.975 1.00 0.00 C ATOM 1067 OG SER 1 77 1.374 -1.550 1.895 1.00 0.00 O ATOM 0 H SER 1 77 0.746 -0.393 4.330 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.729 -1.349 3.118 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.503 -1.298 1.091 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.118 0.078 1.981 1.00 0.00 H new ATOM 0 HG SER 1 77 1.813 -1.224 1.082 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.058 -3.374 4.656 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.229 -4.769 4.960 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.834 -5.370 5.871 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.330 -4.715 6.788 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.606 -4.897 5.613 1.00 0.00 C ATOM 1078 CG ASP 1 78 1.693 -4.148 6.928 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.860 -3.246 7.155 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 2.595 -4.464 7.733 1.00 0.00 O ATOM 0 H ASP 1 78 0.019 -2.742 5.453 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.223 -5.321 4.020 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.828 -5.951 5.783 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 2.366 -4.517 4.930 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.170 -6.627 5.611 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.164 -7.341 6.399 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.519 -8.545 7.088 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.277 -9.570 6.455 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.315 -7.796 5.497 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.955 -7.264 6.081 1.00 0.00 S ATOM 0 H CYS 1 79 -0.764 -7.176 4.853 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.561 -6.673 7.164 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.153 -7.407 4.492 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.300 -8.883 5.424 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.212 -8.431 8.393 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.571 -9.512 9.159 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.496 -10.701 9.431 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.641 -10.528 9.847 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.192 -8.828 10.475 1.00 0.00 C ATOM 1100 CG PRO 1 80 -1.172 -7.718 10.618 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.444 -7.232 9.223 1.00 0.00 C ATOM 0 HA PRO 1 80 0.268 -9.941 8.611 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.253 -9.521 11.314 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.831 -8.452 10.446 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -2.088 -8.064 11.097 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.769 -6.918 11.239 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.464 -6.862 9.118 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.778 -6.415 8.945 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.977 -11.911 9.202 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.740 -13.149 9.433 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.405 -13.132 10.803 1.00 0.00 C ATOM 1112 O TRP 1 81 -3.421 -13.789 11.023 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.841 -14.395 9.359 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.506 -14.170 8.746 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.615 -13.648 9.348 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.882 -14.476 7.408 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.658 -13.608 8.455 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 2.230 -14.114 7.255 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 0.201 -15.022 6.326 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 2.912 -14.283 6.055 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 0.875 -15.192 5.131 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 2.221 -14.824 5.005 1.00 0.00 C ATOM 0 H TRP 1 81 -0.030 -12.063 8.856 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.494 -13.196 8.647 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.704 -14.785 10.367 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.359 -15.165 8.787 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.665 -13.316 10.374 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.596 -13.259 8.652 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -0.836 -15.308 6.417 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 3.949 -13.998 5.955 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 0.357 -15.614 4.283 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 2.723 -14.970 4.060 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.794 -12.401 11.725 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.276 -12.301 13.101 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.786 -13.495 13.913 1.00 0.00 C ATOM 1136 O ASN 1 82 -2.431 -13.919 14.871 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.806 -12.225 13.148 1.00 0.00 C ATOM 1138 CG ASN 1 82 -4.316 -11.633 14.447 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -4.256 -12.270 15.499 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.822 -10.407 14.380 1.00 0.00 N ATOM 0 H ASN 1 82 -0.949 -11.859 11.543 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.879 -11.383 13.534 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.163 -11.623 12.313 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -4.221 -13.225 13.020 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -5.181 -9.957 15.222 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.852 -9.916 13.487 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.638 -14.035 13.512 1.00 0.00 N ATOM 1148 CA HIS 1 83 -0.049 -15.185 14.186 1.00 0.00 C ATOM 1149 C HIS 1 83 1.096 -14.757 15.098 1.00 0.00 C ATOM 1150 O HIS 1 83 1.098 -13.586 15.534 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.454 -16.194 13.151 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.599 -16.614 12.173 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.944 -16.699 12.304 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.316 -17.002 10.881 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.443 -17.130 11.100 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.442 -17.304 10.258 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 1.981 -15.595 15.369 1.00 0.00 O ATOM 0 H HIS 1 83 -0.096 -13.691 12.719 1.00 0.00 H new ATOM 0 HA HIS 1 83 -0.818 -15.652 14.802 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.292 -15.759 12.607 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 0.833 -17.076 13.668 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -2.485 -16.483 13.141 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.671 -17.052 10.446 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.486 -17.299 10.878 1.00 0.00 H new