USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 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= -3.13! K(o=-13!,f=-8.6) USER MOD Set 1.2: 1 83 HIS : no HD1:sc= -10.3! C(o=-13!,f=-8.6!) USER MOD Single : 1 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 1 SER OG : rot 180:sc= -0.57 USER MOD Single : 1 7 ASN : amide:sc= -5.18! C(o=-5.2!,f=-11!) USER MOD Single : 1 8 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0471) 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= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN : amide:sc= -5.82! K(o=-5.8!,f=-0.82) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -119:sc= 1.12 USER MOD Single : 1 40 SER OG : rot -72:sc= 0.551 USER MOD Single : 1 41 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.16) USER MOD Single : 1 43 ASN : amide:sc= -2.37 K(o=-2.4,f=-1.7) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.8!) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0424) USER MOD Single : 1 58 THR OG1 : rot 72:sc= 0.87 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= -0.0022 USER MOD Single : 1 75 LYS NZ :NH3+ -175:sc= -0.0192 (180deg=-0.0901) USER MOD Single : 1 76 SER OG : rot 180:sc= 0 USER MOD Single : 1 77 SER OG : rot -38:sc= 0.791 USER MOD Single : 1 82 ASN : amide:sc= -0.903 K(o=-0.9,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 19.047 2.277 -11.117 1.00 0.00 N ATOM 2 CA SER 1 1 18.293 0.997 -11.068 1.00 0.00 C ATOM 3 C SER 1 1 16.788 1.240 -11.169 1.00 0.00 C ATOM 4 O SER 1 1 16.279 2.240 -10.662 1.00 0.00 O ATOM 5 CB SER 1 1 18.630 0.286 -9.756 1.00 0.00 C ATOM 6 OG SER 1 1 18.474 -1.117 -9.880 1.00 0.00 O ATOM 0 H1 SER 1 1 20.066 2.082 -11.046 1.00 0.00 H new ATOM 0 H2 SER 1 1 18.849 2.763 -12.015 1.00 0.00 H new ATOM 0 H3 SER 1 1 18.755 2.883 -10.324 1.00 0.00 H new ATOM 0 HA SER 1 1 18.581 0.376 -11.916 1.00 0.00 H new ATOM 0 HB2 SER 1 1 19.655 0.517 -9.467 1.00 0.00 H new ATOM 0 HB3 SER 1 1 17.984 0.658 -8.961 1.00 0.00 H new ATOM 0 HG SER 1 1 18.697 -1.547 -9.028 1.00 0.00 H new ATOM 14 N PRO 1 2 16.054 0.327 -11.837 1.00 0.00 N ATOM 15 CA PRO 1 2 14.608 0.436 -12.018 1.00 0.00 C ATOM 16 C PRO 1 2 13.886 1.012 -10.797 1.00 0.00 C ATOM 17 O PRO 1 2 13.041 1.897 -10.935 1.00 0.00 O ATOM 18 CB PRO 1 2 14.160 -1.012 -12.276 1.00 0.00 C ATOM 19 CG PRO 1 2 15.409 -1.830 -12.437 1.00 0.00 C ATOM 20 CD PRO 1 2 16.577 -0.880 -12.481 1.00 0.00 C ATOM 0 HA PRO 1 2 14.365 1.124 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 13.558 -1.384 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 13.541 -1.072 -13.171 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 15.517 -2.530 -11.609 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 15.363 -2.422 -13.351 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 17.440 -1.279 -11.948 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 16.897 -0.683 -13.504 1.00 0.00 H new ATOM 28 N PRO 1 3 14.202 0.523 -9.581 1.00 0.00 N ATOM 29 CA PRO 1 3 13.570 1.002 -8.347 1.00 0.00 C ATOM 30 C PRO 1 3 13.972 2.438 -8.007 1.00 0.00 C ATOM 31 O PRO 1 3 14.553 2.701 -6.953 1.00 0.00 O ATOM 32 CB PRO 1 3 14.081 0.030 -7.271 1.00 0.00 C ATOM 33 CG PRO 1 3 14.702 -1.103 -8.012 1.00 0.00 C ATOM 34 CD PRO 1 3 15.187 -0.530 -9.306 1.00 0.00 C ATOM 0 HA PRO 1 3 12.484 1.023 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 14.807 0.515 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 13.265 -0.317 -6.638 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 15.525 -1.537 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 13.979 -1.900 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 16.196 -0.128 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 15.211 -1.279 -10.097 1.00 0.00 H new ATOM 42 N VAL 1 4 13.659 3.361 -8.910 1.00 0.00 N ATOM 43 CA VAL 1 4 13.982 4.772 -8.723 1.00 0.00 C ATOM 44 C VAL 1 4 12.726 5.635 -8.730 1.00 0.00 C ATOM 45 O VAL 1 4 11.735 5.296 -9.376 1.00 0.00 O ATOM 46 CB VAL 1 4 14.945 5.282 -9.813 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.372 4.851 -9.510 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.511 4.790 -11.186 1.00 0.00 C ATOM 0 H VAL 1 4 13.178 3.155 -9.786 1.00 0.00 H new ATOM 0 HA VAL 1 4 14.469 4.852 -7.751 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.912 6.372 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 17.037 5.220 -10.291 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.679 5.261 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.424 3.763 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 15.204 5.161 -11.941 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.510 3.700 -11.198 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 13.508 5.156 -11.403 1.00 0.00 H new ATOM 58 N CYS 1 5 12.778 6.760 -8.022 1.00 0.00 N ATOM 59 CA CYS 1 5 11.643 7.671 -7.973 1.00 0.00 C ATOM 60 C CYS 1 5 11.637 8.503 -9.243 1.00 0.00 C ATOM 61 O CYS 1 5 12.242 9.573 -9.315 1.00 0.00 O ATOM 62 CB CYS 1 5 11.719 8.573 -6.736 1.00 0.00 C ATOM 63 SG CYS 1 5 10.492 8.174 -5.448 1.00 0.00 S ATOM 0 H CYS 1 5 13.588 7.059 -7.479 1.00 0.00 H new ATOM 0 HA CYS 1 5 10.718 7.098 -7.902 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.718 8.499 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 11.581 9.609 -7.046 1.00 0.00 H new ATOM 68 N GLY 1 6 10.976 7.963 -10.255 1.00 0.00 N ATOM 69 CA GLY 1 6 10.912 8.603 -11.549 1.00 0.00 C ATOM 70 C GLY 1 6 11.030 7.577 -12.659 1.00 0.00 C ATOM 71 O GLY 1 6 11.519 7.871 -13.750 1.00 0.00 O ATOM 0 H GLY 1 6 10.475 7.077 -10.199 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 9.971 9.145 -11.646 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.713 9.336 -11.638 1.00 0.00 H new ATOM 75 N ASN 1 7 10.575 6.364 -12.359 1.00 0.00 N ATOM 76 CA ASN 1 7 10.607 5.252 -13.295 1.00 0.00 C ATOM 77 C ASN 1 7 9.257 4.551 -13.293 1.00 0.00 C ATOM 78 O ASN 1 7 9.123 3.428 -13.781 1.00 0.00 O ATOM 79 CB ASN 1 7 11.703 4.260 -12.886 1.00 0.00 C ATOM 80 CG ASN 1 7 11.840 3.112 -13.867 1.00 0.00 C ATOM 81 OD1 ASN 1 7 11.208 2.068 -13.711 1.00 0.00 O ATOM 82 ND2 ASN 1 7 12.670 3.301 -14.887 1.00 0.00 N ATOM 0 H ASN 1 7 10.172 6.127 -11.453 1.00 0.00 H new ATOM 0 HA ASN 1 7 10.821 5.628 -14.295 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.655 4.785 -12.811 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.479 3.863 -11.896 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 12.803 2.564 -15.580 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.174 4.183 -14.978 1.00 0.00 H new ATOM 89 N LYS 1 8 8.268 5.216 -12.701 1.00 0.00 N ATOM 90 CA LYS 1 8 6.929 4.671 -12.577 1.00 0.00 C ATOM 91 C LYS 1 8 6.901 3.651 -11.446 1.00 0.00 C ATOM 92 O LYS 1 8 5.983 2.839 -11.336 1.00 0.00 O ATOM 93 CB LYS 1 8 6.456 4.041 -13.891 1.00 0.00 C ATOM 94 CG LYS 1 8 6.720 4.911 -15.109 1.00 0.00 C ATOM 95 CD LYS 1 8 5.697 4.659 -16.206 1.00 0.00 C ATOM 96 CE LYS 1 8 6.341 4.677 -17.583 1.00 0.00 C ATOM 97 NZ LYS 1 8 7.016 5.974 -17.864 1.00 0.00 N ATOM 0 H LYS 1 8 8.377 6.146 -12.296 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.242 5.485 -12.345 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 6.955 3.081 -14.025 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 5.387 3.838 -13.824 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 6.694 5.962 -14.820 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 7.721 4.711 -15.491 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.215 3.695 -16.041 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.916 5.418 -16.158 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 7.067 3.867 -17.655 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 5.581 4.492 -18.342 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 7.324 5.997 -18.857 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 6.353 6.756 -17.689 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 7.844 6.076 -17.243 1.00 0.00 H new ATOM 111 N ILE 1 9 7.925 3.726 -10.602 1.00 0.00 N ATOM 112 CA ILE 1 9 8.063 2.849 -9.457 1.00 0.00 C ATOM 113 C ILE 1 9 8.342 3.682 -8.217 1.00 0.00 C ATOM 114 O ILE 1 9 8.930 4.760 -8.302 1.00 0.00 O ATOM 115 CB ILE 1 9 9.212 1.837 -9.654 1.00 0.00 C ATOM 116 CG1 ILE 1 9 8.928 0.937 -10.858 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.415 1.000 -8.397 1.00 0.00 C ATOM 118 CD1 ILE 1 9 10.166 0.583 -11.653 1.00 0.00 C ATOM 0 H ILE 1 9 8.683 4.402 -10.698 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.133 2.293 -9.343 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.130 2.393 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 8.454 0.019 -10.511 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 8.215 1.436 -11.514 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.229 0.294 -8.558 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 9.662 1.654 -7.560 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.499 0.453 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 9.890 -0.057 -12.491 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 10.629 1.495 -12.030 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 10.872 0.056 -11.011 1.00 0.00 H new ATOM 130 N LEU 1 10 7.928 3.180 -7.070 1.00 0.00 N ATOM 131 CA LEU 1 10 8.149 3.887 -5.817 1.00 0.00 C ATOM 132 C LEU 1 10 9.594 3.728 -5.375 1.00 0.00 C ATOM 133 O LEU 1 10 9.869 3.165 -4.314 1.00 0.00 O ATOM 134 CB LEU 1 10 7.201 3.376 -4.732 1.00 0.00 C ATOM 135 CG LEU 1 10 6.791 1.910 -4.857 1.00 0.00 C ATOM 136 CD1 LEU 1 10 6.540 1.309 -3.484 1.00 0.00 C ATOM 137 CD2 LEU 1 10 5.557 1.783 -5.739 1.00 0.00 C ATOM 0 H LEU 1 10 7.439 2.290 -6.976 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.944 4.946 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 7.675 3.522 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.300 3.990 -4.742 1.00 0.00 H new ATOM 0 HG LEU 1 10 7.605 1.356 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 6.249 0.264 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 7.450 1.372 -2.887 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.741 1.859 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 5.274 0.733 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 4.735 2.347 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 5.777 2.178 -6.731 1.00 0.00 H new ATOM 149 N GLU 1 11 10.516 4.221 -6.210 1.00 0.00 N ATOM 150 CA GLU 1 11 11.950 4.133 -5.935 1.00 0.00 C ATOM 151 C GLU 1 11 12.262 2.938 -5.049 1.00 0.00 C ATOM 152 O GLU 1 11 12.818 3.076 -3.959 1.00 0.00 O ATOM 153 CB GLU 1 11 12.457 5.410 -5.279 1.00 0.00 C ATOM 154 CG GLU 1 11 13.959 5.413 -5.076 1.00 0.00 C ATOM 155 CD GLU 1 11 14.571 6.789 -5.247 1.00 0.00 C ATOM 156 OE1 GLU 1 11 14.400 7.632 -4.341 1.00 0.00 O ATOM 157 OE2 GLU 1 11 15.222 7.025 -6.287 1.00 0.00 O ATOM 0 H GLU 1 11 10.289 4.688 -7.088 1.00 0.00 H new ATOM 0 HA GLU 1 11 12.461 4.003 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 12.177 6.265 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.965 5.537 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 14.187 5.040 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 14.419 4.725 -5.786 1.00 0.00 H new ATOM 164 N GLN 1 12 11.883 1.766 -5.529 1.00 0.00 N ATOM 165 CA GLN 1 12 12.099 0.526 -4.793 1.00 0.00 C ATOM 166 C GLN 1 12 11.136 0.395 -3.615 1.00 0.00 C ATOM 167 O GLN 1 12 10.155 -0.345 -3.686 1.00 0.00 O ATOM 168 CB GLN 1 12 13.550 0.424 -4.308 1.00 0.00 C ATOM 169 CG GLN 1 12 14.144 -0.968 -4.454 1.00 0.00 C ATOM 170 CD GLN 1 12 14.234 -1.706 -3.132 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.273 -1.695 -2.472 1.00 0.00 O ATOM 172 NE2 GLN 1 12 13.142 -2.352 -2.740 1.00 0.00 N ATOM 0 H GLN 1 12 11.421 1.644 -6.430 1.00 0.00 H new ATOM 0 HA GLN 1 12 11.901 -0.297 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 14.162 1.132 -4.867 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.596 0.722 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 13.536 -1.547 -5.149 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.140 -0.890 -4.891 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 12.303 -2.334 -3.320 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 13.142 -2.867 -1.859 1.00 0.00 H new ATOM 181 N GLY 1 13 11.423 1.107 -2.533 1.00 0.00 N ATOM 182 CA GLY 1 13 10.573 1.044 -1.357 1.00 0.00 C ATOM 183 C GLY 1 13 10.251 2.415 -0.799 1.00 0.00 C ATOM 184 O GLY 1 13 10.583 2.721 0.346 1.00 0.00 O ATOM 0 H GLY 1 13 12.228 1.727 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 9.645 0.532 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 11.066 0.449 -0.588 1.00 0.00 H new ATOM 188 N GLU 1 14 9.608 3.242 -1.613 1.00 0.00 N ATOM 189 CA GLU 1 14 9.244 4.593 -1.200 1.00 0.00 C ATOM 190 C GLU 1 14 7.797 4.650 -0.707 1.00 0.00 C ATOM 191 O GLU 1 14 7.481 5.378 0.233 1.00 0.00 O ATOM 192 CB GLU 1 14 9.476 5.556 -2.357 1.00 0.00 C ATOM 193 CG GLU 1 14 10.880 6.135 -2.363 1.00 0.00 C ATOM 194 CD GLU 1 14 11.197 6.911 -1.099 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.247 7.325 -0.402 1.00 0.00 O ATOM 196 OE2 GLU 1 14 12.396 7.104 -0.807 1.00 0.00 O ATOM 0 H GLU 1 14 9.327 3.002 -2.564 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.876 4.891 -0.363 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 9.297 5.037 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.752 6.369 -2.299 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 11.602 5.327 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.995 6.791 -3.226 1.00 0.00 H new ATOM 203 N ASP 1 15 6.940 3.847 -1.337 1.00 0.00 N ATOM 204 CA ASP 1 15 5.519 3.740 -0.977 1.00 0.00 C ATOM 205 C ASP 1 15 4.626 4.684 -1.777 1.00 0.00 C ATOM 206 O ASP 1 15 3.482 4.915 -1.392 1.00 0.00 O ATOM 207 CB ASP 1 15 5.311 3.984 0.522 1.00 0.00 C ATOM 208 CG ASP 1 15 4.163 3.169 1.087 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.067 3.194 0.489 1.00 0.00 O ATOM 210 OD2 ASP 1 15 4.361 2.506 2.126 1.00 0.00 O ATOM 0 H ASP 1 15 7.210 3.247 -2.117 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.224 2.721 -1.227 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.227 3.736 1.058 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.119 5.043 0.692 1.00 0.00 H new ATOM 215 N CYS 1 16 5.137 5.204 -2.897 1.00 0.00 N ATOM 216 CA CYS 1 16 4.365 6.104 -3.766 1.00 0.00 C ATOM 217 C CYS 1 16 5.289 6.971 -4.613 1.00 0.00 C ATOM 218 O CYS 1 16 6.110 7.717 -4.085 1.00 0.00 O ATOM 219 CB CYS 1 16 3.423 6.996 -2.951 1.00 0.00 C ATOM 220 SG CYS 1 16 1.686 6.433 -2.913 1.00 0.00 S ATOM 0 H CYS 1 16 6.084 5.018 -3.226 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.764 5.478 -4.426 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.794 7.055 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.455 8.006 -3.361 1.00 0.00 H new ATOM 225 N ASP 1 17 5.150 6.869 -5.933 1.00 0.00 N ATOM 226 CA ASP 1 17 5.977 7.650 -6.846 1.00 0.00 C ATOM 227 C ASP 1 17 5.372 7.699 -8.245 1.00 0.00 C ATOM 228 O ASP 1 17 4.534 6.873 -8.607 1.00 0.00 O ATOM 229 CB ASP 1 17 7.385 7.058 -6.922 1.00 0.00 C ATOM 230 CG ASP 1 17 8.310 7.864 -7.813 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.618 9.020 -7.458 1.00 0.00 O ATOM 232 OD2 ASP 1 17 8.724 7.339 -8.868 1.00 0.00 O ATOM 0 H ASP 1 17 4.476 6.256 -6.391 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.026 8.667 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 7.808 7.006 -5.919 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.326 6.036 -7.296 1.00 0.00 H new ATOM 237 N CYS 1 18 5.822 8.672 -9.028 1.00 0.00 N ATOM 238 CA CYS 1 18 5.358 8.847 -10.397 1.00 0.00 C ATOM 239 C CYS 1 18 6.548 8.896 -11.347 1.00 0.00 C ATOM 240 O CYS 1 18 7.673 9.169 -10.928 1.00 0.00 O ATOM 241 CB CYS 1 18 4.557 10.141 -10.532 1.00 0.00 C ATOM 242 SG CYS 1 18 2.900 10.090 -9.777 1.00 0.00 S ATOM 0 H CYS 1 18 6.516 9.359 -8.733 1.00 0.00 H new ATOM 0 HA CYS 1 18 4.718 8.002 -10.651 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.124 10.953 -10.077 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.452 10.379 -11.590 1.00 0.00 H new ATOM 247 N GLY 1 19 6.299 8.648 -12.628 1.00 0.00 N ATOM 248 CA GLY 1 19 7.372 8.692 -13.604 1.00 0.00 C ATOM 249 C GLY 1 19 8.083 10.031 -13.592 1.00 0.00 C ATOM 250 O GLY 1 19 9.311 10.094 -13.547 1.00 0.00 O ATOM 0 H GLY 1 19 5.380 8.419 -13.006 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.088 7.897 -13.394 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 6.968 8.503 -14.599 1.00 0.00 H new ATOM 254 N SER 1 20 7.299 11.104 -13.622 1.00 0.00 N ATOM 255 CA SER 1 20 7.841 12.457 -13.603 1.00 0.00 C ATOM 256 C SER 1 20 7.006 13.360 -12.691 1.00 0.00 C ATOM 257 O SER 1 20 5.802 13.504 -12.893 1.00 0.00 O ATOM 258 CB SER 1 20 7.876 13.035 -15.018 1.00 0.00 C ATOM 259 OG SER 1 20 9.110 12.751 -15.655 1.00 0.00 O ATOM 0 H SER 1 20 6.281 11.061 -13.660 1.00 0.00 H new ATOM 0 HA SER 1 20 8.858 12.412 -13.213 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.056 12.619 -15.604 1.00 0.00 H new ATOM 0 HB3 SER 1 20 7.724 14.114 -14.977 1.00 0.00 H new ATOM 0 HG SER 1 20 9.106 13.130 -16.559 1.00 0.00 H new ATOM 265 N PRO 1 21 7.630 13.981 -11.670 1.00 0.00 N ATOM 266 CA PRO 1 21 6.926 14.866 -10.736 1.00 0.00 C ATOM 267 C PRO 1 21 5.963 15.822 -11.438 1.00 0.00 C ATOM 268 O PRO 1 21 4.953 16.231 -10.865 1.00 0.00 O ATOM 269 CB PRO 1 21 8.062 15.645 -10.079 1.00 0.00 C ATOM 270 CG PRO 1 21 9.221 14.710 -10.101 1.00 0.00 C ATOM 271 CD PRO 1 21 9.065 13.866 -11.340 1.00 0.00 C ATOM 0 HA PRO 1 21 6.303 14.307 -10.038 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 8.282 16.562 -10.626 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.806 15.935 -9.060 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 10.162 15.259 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 9.234 14.087 -9.206 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.692 14.231 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.351 12.830 -11.157 1.00 0.00 H new ATOM 279 N ALA 1 22 6.280 16.173 -12.681 1.00 0.00 N ATOM 280 CA ALA 1 22 5.440 17.078 -13.456 1.00 0.00 C ATOM 281 C ALA 1 22 4.314 16.318 -14.147 1.00 0.00 C ATOM 282 O ALA 1 22 3.227 16.854 -14.360 1.00 0.00 O ATOM 283 CB ALA 1 22 6.278 17.830 -14.480 1.00 0.00 C ATOM 0 H ALA 1 22 7.112 15.844 -13.172 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.993 17.798 -12.771 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.638 18.502 -15.051 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 7.046 18.409 -13.967 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.752 17.118 -15.156 1.00 0.00 H new ATOM 289 N ASN 1 23 4.581 15.062 -14.483 1.00 0.00 N ATOM 290 CA ASN 1 23 3.593 14.216 -15.139 1.00 0.00 C ATOM 291 C ASN 1 23 3.068 13.159 -14.173 1.00 0.00 C ATOM 292 O ASN 1 23 2.562 12.117 -14.589 1.00 0.00 O ATOM 293 CB ASN 1 23 4.199 13.544 -16.372 1.00 0.00 C ATOM 294 CG ASN 1 23 4.113 14.418 -17.608 1.00 0.00 C ATOM 295 OD1 ASN 1 23 3.131 15.131 -17.811 1.00 0.00 O ATOM 296 ND2 ASN 1 23 5.144 14.365 -18.444 1.00 0.00 N ATOM 0 H ASN 1 23 5.477 14.606 -14.311 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.761 14.845 -15.455 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.243 13.301 -16.174 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 3.683 12.602 -16.560 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 5.141 14.930 -19.293 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 5.938 13.760 -18.236 1.00 0.00 H new ATOM 303 N CYS 1 24 3.201 13.436 -12.880 1.00 0.00 N ATOM 304 CA CYS 1 24 2.753 12.519 -11.847 1.00 0.00 C ATOM 305 C CYS 1 24 1.252 12.303 -11.925 1.00 0.00 C ATOM 306 O CYS 1 24 0.475 12.980 -11.252 1.00 0.00 O ATOM 307 CB CYS 1 24 3.143 13.048 -10.468 1.00 0.00 C ATOM 308 SG CYS 1 24 2.628 11.980 -9.082 1.00 0.00 S ATOM 0 H CYS 1 24 3.619 14.296 -12.524 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.241 11.558 -12.008 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.225 13.173 -10.432 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.703 14.036 -10.333 1.00 0.00 H new ATOM 313 N GLN 1 25 0.854 11.350 -12.755 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.556 11.028 -12.934 1.00 0.00 C ATOM 315 C GLN 1 25 -1.036 10.061 -11.854 1.00 0.00 C ATOM 316 O GLN 1 25 -1.625 9.021 -12.149 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.791 10.434 -14.324 1.00 0.00 C ATOM 318 CG GLN 1 25 -1.397 11.422 -15.304 1.00 0.00 C ATOM 319 CD GLN 1 25 -1.669 10.806 -16.662 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -2.821 10.663 -17.073 1.00 0.00 O ATOM 321 NE2 GLN 1 25 -0.607 10.437 -17.368 1.00 0.00 N ATOM 0 H GLN 1 25 1.489 10.784 -13.317 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.131 11.950 -12.844 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 0.157 10.073 -14.722 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -1.450 9.570 -14.236 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 -2.329 11.811 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 -0.723 12.270 -15.423 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 0.330 10.574 -16.989 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 -0.728 10.017 -18.289 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.789 10.419 -10.599 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.201 9.596 -9.473 1.00 0.00 C ATOM 332 C ASP 1 26 -1.560 10.473 -8.281 1.00 0.00 C ATOM 333 O ASP 1 26 -0.691 10.883 -7.512 1.00 0.00 O ATOM 334 CB ASP 1 26 -0.086 8.620 -9.089 1.00 0.00 C ATOM 335 CG ASP 1 26 -0.624 7.270 -8.655 1.00 0.00 C ATOM 336 OD1 ASP 1 26 -1.811 7.199 -8.273 1.00 0.00 O ATOM 337 OD2 ASP 1 26 0.142 6.285 -8.698 1.00 0.00 O ATOM 0 H ASP 1 26 -0.304 11.277 -10.337 1.00 0.00 H new ATOM 0 HA ASP 1 26 -2.081 9.024 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.584 8.485 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 0.506 9.049 -8.281 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.847 10.762 -8.140 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.328 11.597 -7.046 1.00 0.00 C ATOM 344 C ARG 1 27 -3.085 10.935 -5.692 1.00 0.00 C ATOM 345 O ARG 1 27 -3.147 11.592 -4.653 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.818 11.893 -7.226 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.704 10.664 -7.094 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.175 11.042 -7.036 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.045 9.871 -7.114 1.00 0.00 N ATOM 350 CZ ARG 1 27 -8.315 9.223 -8.245 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -7.787 9.628 -9.393 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -9.117 8.167 -8.228 1.00 0.00 N ATOM 0 H ARG 1 27 -3.578 10.430 -8.770 1.00 0.00 H new ATOM 0 HA ARG 1 27 -2.770 12.533 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.125 12.633 -6.486 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -4.975 12.340 -8.208 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -5.532 9.997 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.433 10.114 -6.193 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -7.375 11.581 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.407 11.721 -7.856 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.470 9.530 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -7.170 10.440 -9.412 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -7.998 9.127 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -9.527 7.852 -7.349 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -9.324 7.670 -9.094 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.810 9.633 -5.706 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.561 8.895 -4.475 1.00 0.00 C ATOM 368 C CYS 1 28 -1.064 8.755 -4.204 1.00 0.00 C ATOM 369 O CYS 1 28 -0.653 8.516 -3.068 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.209 7.511 -4.546 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.998 7.544 -4.893 1.00 0.00 S ATOM 0 H CYS 1 28 -2.755 9.070 -6.555 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.004 9.458 -3.654 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -2.710 6.927 -5.320 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -3.043 6.995 -3.601 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.251 8.902 -5.248 1.00 0.00 N ATOM 377 CA CYS 1 29 1.197 8.785 -5.106 1.00 0.00 C ATOM 378 C CYS 1 29 1.914 9.980 -5.722 1.00 0.00 C ATOM 379 O CYS 1 29 1.702 10.312 -6.887 1.00 0.00 O ATOM 380 CB CYS 1 29 1.695 7.496 -5.758 1.00 0.00 C ATOM 381 SG CYS 1 29 1.257 5.982 -4.845 1.00 0.00 S ATOM 0 H CYS 1 29 -0.569 9.101 -6.196 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.422 8.761 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.286 7.430 -6.766 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.779 7.547 -5.856 1.00 0.00 H new ATOM 386 N ASN 1 30 2.770 10.616 -4.929 1.00 0.00 N ATOM 387 CA ASN 1 30 3.529 11.770 -5.392 1.00 0.00 C ATOM 388 C ASN 1 30 5.019 11.446 -5.475 1.00 0.00 C ATOM 389 O ASN 1 30 5.615 10.953 -4.510 1.00 0.00 O ATOM 390 CB ASN 1 30 3.299 12.963 -4.464 1.00 0.00 C ATOM 391 CG ASN 1 30 4.007 14.215 -4.943 1.00 0.00 C ATOM 392 OD1 ASN 1 30 3.779 14.683 -6.058 1.00 0.00 O ATOM 393 ND2 ASN 1 30 4.872 14.765 -4.100 1.00 0.00 N ATOM 0 H ASN 1 30 2.955 10.351 -3.962 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.180 12.027 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.230 13.160 -4.389 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.648 12.713 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 5.378 15.609 -4.367 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 5.031 14.344 -3.185 1.00 0.00 H new ATOM 400 N ALA 1 31 5.610 11.729 -6.636 1.00 0.00 N ATOM 401 CA ALA 1 31 7.029 11.479 -6.862 1.00 0.00 C ATOM 402 C ALA 1 31 7.883 12.470 -6.084 1.00 0.00 C ATOM 403 O ALA 1 31 8.872 12.099 -5.453 1.00 0.00 O ATOM 404 CB ALA 1 31 7.348 11.569 -8.348 1.00 0.00 C ATOM 0 H ALA 1 31 5.123 12.133 -7.436 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.260 10.474 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.410 11.381 -8.504 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.764 10.826 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 7.099 12.565 -8.714 1.00 0.00 H new ATOM 410 N ALA 1 32 7.486 13.736 -6.137 1.00 0.00 N ATOM 411 CA ALA 1 32 8.202 14.802 -5.443 1.00 0.00 C ATOM 412 C ALA 1 32 8.416 14.472 -3.967 1.00 0.00 C ATOM 413 O ALA 1 32 9.283 15.054 -3.315 1.00 0.00 O ATOM 414 CB ALA 1 32 7.444 16.113 -5.582 1.00 0.00 C ATOM 0 H ALA 1 32 6.667 14.052 -6.657 1.00 0.00 H new ATOM 0 HA ALA 1 32 9.184 14.899 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.985 16.903 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.353 16.370 -6.637 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.450 16.007 -5.147 1.00 0.00 H new ATOM 420 N THR 1 33 7.626 13.539 -3.443 1.00 0.00 N ATOM 421 CA THR 1 33 7.739 13.145 -2.046 1.00 0.00 C ATOM 422 C THR 1 33 8.097 11.672 -1.930 1.00 0.00 C ATOM 423 O THR 1 33 8.617 11.231 -0.906 1.00 0.00 O ATOM 424 CB THR 1 33 6.423 13.409 -1.309 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.606 13.313 0.093 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.314 12.449 -1.694 1.00 0.00 C ATOM 0 H THR 1 33 6.903 13.044 -3.965 1.00 0.00 H new ATOM 0 HA THR 1 33 8.532 13.739 -1.592 1.00 0.00 H new ATOM 0 HB THR 1 33 6.126 14.416 -1.602 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.755 13.486 0.547 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.411 12.693 -1.135 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.113 12.534 -2.762 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.619 11.429 -1.462 1.00 0.00 H new ATOM 434 N CYS 1 34 7.794 10.911 -2.977 1.00 0.00 N ATOM 435 CA CYS 1 34 8.063 9.486 -2.976 1.00 0.00 C ATOM 436 C CYS 1 34 7.239 8.818 -1.888 1.00 0.00 C ATOM 437 O CYS 1 34 7.691 7.884 -1.228 1.00 0.00 O ATOM 438 CB CYS 1 34 9.553 9.221 -2.760 1.00 0.00 C ATOM 439 SG CYS 1 34 10.611 9.733 -4.154 1.00 0.00 S ATOM 0 H CYS 1 34 7.363 11.261 -3.833 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.784 9.068 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.877 9.744 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.699 8.156 -2.579 1.00 0.00 H new ATOM 444 N LYS 1 35 6.019 9.317 -1.712 1.00 0.00 N ATOM 445 CA LYS 1 35 5.106 8.787 -0.703 1.00 0.00 C ATOM 446 C LYS 1 35 3.668 9.189 -1.017 1.00 0.00 C ATOM 447 O LYS 1 35 3.419 9.992 -1.916 1.00 0.00 O ATOM 448 CB LYS 1 35 5.476 9.301 0.694 1.00 0.00 C ATOM 449 CG LYS 1 35 6.954 9.185 1.030 1.00 0.00 C ATOM 450 CD LYS 1 35 7.235 9.608 2.465 1.00 0.00 C ATOM 451 CE LYS 1 35 7.988 8.530 3.228 1.00 0.00 C ATOM 452 NZ LYS 1 35 8.456 9.013 4.556 1.00 0.00 N ATOM 0 H LYS 1 35 5.638 10.091 -2.257 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.192 7.701 -0.719 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.178 10.346 0.775 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.902 8.747 1.436 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.282 8.156 0.882 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.533 9.806 0.347 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 7.817 10.530 2.466 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.295 9.824 2.972 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.341 7.663 3.364 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 8.844 8.200 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 8.965 8.248 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 9.093 9.824 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 7.637 9.304 5.128 1.00 0.00 H new ATOM 466 N LEU 1 36 2.725 8.625 -0.269 1.00 0.00 N ATOM 467 CA LEU 1 36 1.312 8.924 -0.466 1.00 0.00 C ATOM 468 C LEU 1 36 1.041 10.415 -0.292 1.00 0.00 C ATOM 469 O LEU 1 36 1.661 11.075 0.542 1.00 0.00 O ATOM 470 CB LEU 1 36 0.457 8.122 0.517 1.00 0.00 C ATOM 471 CG LEU 1 36 0.374 6.622 0.231 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.261 5.837 1.529 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.806 6.319 -0.680 1.00 0.00 C ATOM 0 H LEU 1 36 2.914 7.958 0.479 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.046 8.641 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.857 8.263 1.521 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.553 8.533 0.515 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.289 6.317 -0.277 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.203 4.772 1.306 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.136 6.031 2.149 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 -0.638 6.145 2.064 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.850 5.247 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.730 6.639 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.685 6.853 -1.622 1.00 0.00 H new ATOM 485 N THR 1 37 0.113 10.941 -1.085 1.00 0.00 N ATOM 486 CA THR 1 37 -0.238 12.355 -1.018 1.00 0.00 C ATOM 487 C THR 1 37 -1.296 12.602 0.055 1.00 0.00 C ATOM 488 O THR 1 37 -1.968 11.672 0.501 1.00 0.00 O ATOM 489 CB THR 1 37 -0.751 12.842 -2.375 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.094 12.442 -2.575 1.00 0.00 O ATOM 491 CG2 THR 1 37 0.061 12.327 -3.544 1.00 0.00 C ATOM 0 H THR 1 37 -0.409 10.409 -1.781 1.00 0.00 H new ATOM 0 HA THR 1 37 0.660 12.914 -0.756 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.662 13.928 -2.344 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.150 11.869 -3.368 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.357 12.711 -4.475 1.00 0.00 H new ATOM 0 HG22 THR 1 37 1.094 12.662 -3.445 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.032 11.237 -3.555 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.458 13.865 0.485 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.441 14.230 1.510 1.00 0.00 C ATOM 501 C PRO 1 38 -3.845 13.747 1.162 1.00 0.00 C ATOM 502 O PRO 1 38 -4.416 14.148 0.149 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.391 15.760 1.526 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.038 16.103 1.007 1.00 0.00 C ATOM 505 CD PRO 1 38 -0.697 15.034 0.006 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.212 13.774 2.473 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.175 16.188 0.900 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.539 16.150 2.533 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.037 17.089 0.542 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.306 16.130 1.814 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -0.992 15.320 -1.004 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 0.374 14.834 -0.019 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.395 12.883 2.009 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.727 12.359 1.773 1.00 0.00 C ATOM 515 C GLY 1 39 -5.707 10.930 1.267 1.00 0.00 C ATOM 516 O GLY 1 39 -6.660 10.178 1.473 1.00 0.00 O ATOM 0 H GLY 1 39 -3.942 12.537 2.855 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.301 12.406 2.698 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.239 12.991 1.048 1.00 0.00 H new ATOM 520 N SER 1 40 -4.618 10.554 0.604 1.00 0.00 N ATOM 521 CA SER 1 40 -4.476 9.207 0.068 1.00 0.00 C ATOM 522 C SER 1 40 -3.641 8.338 1.002 1.00 0.00 C ATOM 523 O SER 1 40 -2.552 8.730 1.421 1.00 0.00 O ATOM 524 CB SER 1 40 -3.831 9.254 -1.318 1.00 0.00 C ATOM 525 OG SER 1 40 -4.637 9.977 -2.231 1.00 0.00 O ATOM 0 H SER 1 40 -3.821 11.165 0.425 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.470 8.768 -0.017 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.847 9.719 -1.249 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.679 8.239 -1.686 1.00 0.00 H new ATOM 0 HG SER 1 40 -5.433 9.450 -2.453 1.00 0.00 H new ATOM 531 N GLN 1 41 -4.159 7.160 1.328 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.460 6.238 2.215 1.00 0.00 C ATOM 533 C GLN 1 41 -3.033 4.973 1.475 1.00 0.00 C ATOM 534 O GLN 1 41 -2.086 4.299 1.878 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.351 5.869 3.403 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.337 6.901 4.518 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.369 6.271 5.896 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.658 6.700 6.805 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.197 5.246 6.059 1.00 0.00 N ATOM 0 H GLN 1 41 -5.060 6.821 0.992 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.563 6.740 2.578 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.375 5.740 3.052 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.028 4.909 3.804 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.443 7.518 4.425 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -5.195 7.564 4.406 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -5.768 4.923 5.278 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.262 4.782 6.965 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.739 4.651 0.394 1.00 0.00 N ATOM 549 CA CYS 1 42 -3.429 3.461 -0.391 1.00 0.00 C ATOM 550 C CYS 1 42 -3.240 3.803 -1.867 1.00 0.00 C ATOM 551 O CYS 1 42 -3.506 4.922 -2.304 1.00 0.00 O ATOM 552 CB CYS 1 42 -4.536 2.412 -0.220 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.666 2.220 -1.646 1.00 0.00 S ATOM 0 H CYS 1 42 -4.527 5.196 0.043 1.00 0.00 H new ATOM 0 HA CYS 1 42 -2.490 3.048 -0.023 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -4.070 1.448 -0.015 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -5.128 2.673 0.658 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.791 2.812 -2.621 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.569 2.955 -4.054 1.00 0.00 C ATOM 560 C ASN 1 43 -2.167 1.608 -4.649 1.00 0.00 C ATOM 561 O ASN 1 43 -2.521 1.284 -5.783 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.497 4.012 -4.329 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.097 4.072 -5.792 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.836 4.592 -6.629 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.077 3.537 -6.106 1.00 0.00 N ATOM 0 H ASN 1 43 -2.570 1.885 -2.258 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.494 3.286 -4.526 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.867 4.989 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.616 3.797 -3.724 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.399 3.546 -7.074 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.657 3.117 -5.379 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.437 0.825 -3.862 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.992 -0.496 -4.279 1.00 0.00 C ATOM 574 C TYR 1 44 -0.741 -1.372 -3.051 1.00 0.00 C ATOM 575 O TYR 1 44 0.083 -1.038 -2.199 1.00 0.00 O ATOM 576 CB TYR 1 44 0.270 -0.383 -5.151 1.00 0.00 C ATOM 577 CG TYR 1 44 1.514 -0.989 -4.538 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.661 -2.366 -4.441 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.535 -0.184 -4.052 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.790 -2.925 -3.878 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.670 -0.735 -3.488 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.792 -2.106 -3.403 1.00 0.00 C ATOM 583 OH TYR 1 44 4.920 -2.659 -2.842 1.00 0.00 O ATOM 0 H TYR 1 44 -1.139 1.088 -2.922 1.00 0.00 H new ATOM 0 HA TYR 1 44 -1.772 -0.965 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 0.079 -0.868 -6.108 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.459 0.670 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.878 -3.011 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.441 0.890 -4.116 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.888 -3.998 -3.810 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.457 -0.096 -3.116 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.528 -1.945 -2.559 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.458 -2.487 -2.961 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.296 -3.381 -1.828 1.00 0.00 C ATOM 595 C GLY 1 45 -2.598 -4.039 -1.408 1.00 0.00 C ATOM 596 O GLY 1 45 -3.682 -3.586 -1.779 1.00 0.00 O ATOM 0 H GLY 1 45 -2.147 -2.788 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.569 -4.153 -2.081 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.888 -2.823 -0.986 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.487 -5.114 -0.634 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.655 -5.852 -0.159 1.00 0.00 C ATOM 602 C GLU 1 46 -4.599 -4.958 0.639 1.00 0.00 C ATOM 603 O GLU 1 46 -5.814 -4.990 0.448 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.205 -7.022 0.719 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.451 -8.388 0.100 1.00 0.00 C ATOM 606 CD GLU 1 46 -4.872 -8.557 -0.401 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -5.806 -8.116 0.301 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.051 -9.130 -1.497 1.00 0.00 O ATOM 0 H GLU 1 46 -1.595 -5.496 -0.320 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.192 -6.222 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.141 -6.916 0.930 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.727 -6.968 1.674 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.758 -8.537 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.236 -9.161 0.838 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.029 -4.177 1.547 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.811 -3.287 2.397 1.00 0.00 C ATOM 617 C CYS 1 47 -5.384 -2.110 1.611 1.00 0.00 C ATOM 618 O CYS 1 47 -6.331 -1.464 2.057 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.941 -2.777 3.544 1.00 0.00 C ATOM 620 SG CYS 1 47 -4.084 -3.752 5.072 1.00 0.00 S ATOM 0 H CYS 1 47 -3.024 -4.141 1.715 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.651 -3.856 2.796 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.899 -2.775 3.223 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.211 -1.743 3.759 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.804 -1.822 0.452 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.260 -0.711 -0.368 1.00 0.00 C ATOM 627 C CYS 1 48 -6.651 -0.960 -0.945 1.00 0.00 C ATOM 628 O CYS 1 48 -6.904 -1.984 -1.579 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.265 -0.462 -1.504 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.846 0.729 -2.753 1.00 0.00 S ATOM 0 H CYS 1 48 -4.019 -2.342 0.061 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.320 0.169 0.272 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.329 -0.100 -1.080 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.046 -1.410 -1.995 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.541 0.005 -0.727 1.00 0.00 N ATOM 636 CA ASP 1 49 -8.907 -0.071 -1.227 1.00 0.00 C ATOM 637 C ASP 1 49 -9.478 1.330 -1.432 1.00 0.00 C ATOM 638 O ASP 1 49 -9.725 2.057 -0.469 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.789 -0.863 -0.259 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.048 -1.387 -0.921 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -11.437 -0.840 -1.974 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -11.644 -2.346 -0.387 1.00 0.00 O ATOM 0 H ASP 1 49 -7.336 0.855 -0.202 1.00 0.00 H new ATOM 0 HA ASP 1 49 -8.893 -0.587 -2.187 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.219 -1.700 0.146 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.062 -0.227 0.583 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.680 1.705 -2.692 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.218 3.021 -3.026 1.00 0.00 C ATOM 649 C GLN 1 50 -9.257 4.130 -2.602 1.00 0.00 C ATOM 650 O GLN 1 50 -9.671 5.143 -2.038 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.580 3.225 -2.356 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.522 4.112 -3.153 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.972 3.933 -2.748 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -14.356 2.893 -2.212 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.788 4.950 -3.003 1.00 0.00 N ATOM 0 H GLN 1 50 -9.479 1.116 -3.500 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.342 3.069 -4.108 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -12.050 2.253 -2.204 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.429 3.663 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.236 5.155 -3.016 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -12.415 3.889 -4.214 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.428 5.794 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.775 4.887 -2.753 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.972 3.928 -2.875 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.948 4.908 -2.519 1.00 0.00 C ATOM 666 C CYS 1 51 -6.912 5.140 -1.007 1.00 0.00 C ATOM 667 O CYS 1 51 -6.393 6.150 -0.535 1.00 0.00 O ATOM 668 CB CYS 1 51 -7.189 6.228 -3.255 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.854 7.452 -3.054 1.00 0.00 S ATOM 0 H CYS 1 51 -7.613 3.095 -3.342 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.980 4.510 -2.825 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.319 6.020 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -8.123 6.664 -2.899 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.461 4.189 -0.253 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.485 4.280 1.203 1.00 0.00 C ATOM 676 C ARG 1 52 -7.326 2.896 1.824 1.00 0.00 C ATOM 677 O ARG 1 52 -8.009 1.950 1.432 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.793 4.919 1.675 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.624 5.831 2.879 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.502 5.034 4.168 1.00 0.00 C ATOM 681 NE ARG 1 52 -8.018 5.855 5.276 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.123 5.509 6.557 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -8.695 4.360 6.896 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -7.656 6.314 7.501 1.00 0.00 N ATOM 0 H ARG 1 52 -7.895 3.346 -0.629 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.652 4.906 1.523 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.225 5.491 0.854 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.504 4.131 1.923 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.736 6.449 2.747 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.476 6.507 2.947 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -9.473 4.612 4.427 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.822 4.196 4.013 1.00 0.00 H new ATOM 0 HE ARG 1 52 -7.573 6.746 5.055 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.057 3.738 6.173 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -8.773 4.100 7.879 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.216 7.198 7.246 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -7.736 6.049 8.483 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.415 2.776 2.787 1.00 0.00 N ATOM 699 CA PHE 1 53 -6.171 1.497 3.446 1.00 0.00 C ATOM 700 C PHE 1 53 -7.451 0.919 4.022 1.00 0.00 C ATOM 701 O PHE 1 53 -8.334 1.653 4.469 1.00 0.00 O ATOM 702 CB PHE 1 53 -5.132 1.642 4.561 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.727 1.797 4.059 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.312 1.141 2.913 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.823 2.599 4.734 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -2.024 1.280 2.447 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.529 2.744 4.272 1.00 0.00 C ATOM 708 CZ PHE 1 53 -1.128 2.083 3.126 1.00 0.00 C ATOM 0 H PHE 1 53 -5.837 3.545 3.126 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.788 0.815 2.687 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.387 2.507 5.173 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -5.183 0.767 5.209 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -4.008 0.512 2.377 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -3.132 3.116 5.630 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.714 0.762 1.551 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.832 3.373 4.805 1.00 0.00 H new ATOM 0 HZ PHE 1 53 -0.117 2.194 2.762 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.541 -0.403 4.018 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.710 -1.082 4.552 1.00 0.00 C ATOM 720 C LYS 1 54 -8.765 -0.915 6.064 1.00 0.00 C ATOM 721 O LYS 1 54 -7.852 -1.328 6.775 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.680 -2.566 4.185 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.409 -2.887 2.891 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.676 -3.948 2.085 1.00 0.00 C ATOM 725 CE LYS 1 54 -9.428 -4.296 0.811 1.00 0.00 C ATOM 726 NZ LYS 1 54 -9.321 -5.745 0.482 1.00 0.00 N ATOM 0 H LYS 1 54 -6.820 -1.025 3.652 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.603 -0.636 4.115 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.643 -2.889 4.098 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -9.126 -3.141 4.996 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.418 -3.233 3.117 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.509 -1.980 2.294 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.677 -3.590 1.834 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -8.550 -4.845 2.691 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -10.478 -4.026 0.924 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -9.034 -3.706 -0.016 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.847 -5.942 -0.393 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -8.321 -5.998 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.720 -6.308 1.260 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.836 -0.299 6.554 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.999 -0.073 7.987 1.00 0.00 C ATOM 742 C LYS 1 55 -9.590 -1.306 8.786 1.00 0.00 C ATOM 743 O LYS 1 55 -10.100 -2.407 8.554 1.00 0.00 O ATOM 744 CB LYS 1 55 -11.449 0.296 8.304 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.687 0.624 9.768 1.00 0.00 C ATOM 746 CD LYS 1 55 -13.154 0.910 10.044 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.862 -0.308 10.613 1.00 0.00 C ATOM 748 NZ LYS 1 55 -14.498 -1.130 9.546 1.00 0.00 N ATOM 0 H LYS 1 55 -10.603 0.052 5.981 1.00 0.00 H new ATOM 0 HA LYS 1 55 -9.349 0.753 8.274 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.738 1.154 7.697 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -12.097 -0.532 8.016 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -11.355 -0.209 10.387 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -11.087 1.489 10.050 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -13.238 1.741 10.744 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.645 1.220 9.121 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -13.147 -0.919 11.164 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -14.622 0.014 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -15.533 -1.060 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -14.197 -0.782 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -14.209 -2.123 9.654 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.658 -1.118 9.723 1.00 0.00 N ATOM 763 CA ALA 1 56 -8.178 -2.217 10.554 1.00 0.00 C ATOM 764 C ALA 1 56 -9.315 -3.162 10.904 1.00 0.00 C ATOM 765 O ALA 1 56 -10.372 -2.733 11.367 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.529 -1.696 11.822 1.00 0.00 C ATOM 0 H ALA 1 56 -8.224 -0.217 9.923 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.429 -2.764 9.981 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -7.180 -2.535 12.423 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.683 -1.059 11.563 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -8.257 -1.119 12.392 1.00 0.00 H new ATOM 772 N GLY 1 57 -9.104 -4.439 10.651 1.00 0.00 N ATOM 773 CA GLY 1 57 -10.137 -5.419 10.917 1.00 0.00 C ATOM 774 C GLY 1 57 -10.604 -6.089 9.643 1.00 0.00 C ATOM 775 O GLY 1 57 -11.313 -7.094 9.684 1.00 0.00 O ATOM 0 H GLY 1 57 -8.239 -4.818 10.267 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.757 -6.172 11.608 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.982 -4.935 11.406 1.00 0.00 H new ATOM 779 N THR 1 58 -10.192 -5.535 8.503 1.00 0.00 N ATOM 780 CA THR 1 58 -10.550 -6.095 7.209 1.00 0.00 C ATOM 781 C THR 1 58 -9.670 -7.302 6.896 1.00 0.00 C ATOM 782 O THR 1 58 -8.492 -7.151 6.571 1.00 0.00 O ATOM 783 CB THR 1 58 -10.387 -5.044 6.113 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.193 -3.909 6.377 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.752 -5.561 4.741 1.00 0.00 C ATOM 0 H THR 1 58 -9.610 -4.699 8.454 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.592 -6.412 7.246 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.330 -4.780 6.118 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.811 -3.403 7.125 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.616 -4.768 4.005 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.111 -6.405 4.488 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.793 -5.883 4.739 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.239 -8.498 7.000 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.487 -9.718 6.730 1.00 0.00 C ATOM 795 C VAL 1 59 -9.026 -9.773 5.278 1.00 0.00 C ATOM 796 O VAL 1 59 -9.844 -9.815 4.359 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.319 -10.982 7.033 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.586 -11.005 6.192 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.493 -12.239 6.797 1.00 0.00 C ATOM 0 H VAL 1 59 -11.212 -8.649 7.267 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.619 -9.697 7.389 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.608 -10.957 8.084 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.158 -11.904 6.421 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.188 -10.125 6.417 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.321 -11.003 5.135 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.098 -13.119 7.016 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.169 -12.272 5.757 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.619 -12.228 7.449 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.712 -9.785 5.075 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.156 -9.850 3.725 1.00 0.00 C ATOM 811 C CYS 1 60 -6.609 -11.242 3.425 1.00 0.00 C ATOM 812 O CYS 1 60 -6.494 -11.637 2.265 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.040 -8.822 3.538 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.372 -7.204 4.296 1.00 0.00 S ATOM 0 H CYS 1 60 -7.016 -9.751 5.820 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.967 -9.626 3.032 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.118 -9.224 3.959 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.868 -8.681 2.471 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.255 -11.974 4.476 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.700 -13.315 4.321 1.00 0.00 C ATOM 821 C ARG 1 61 -5.988 -14.182 5.541 1.00 0.00 C ATOM 822 O ARG 1 61 -6.649 -13.753 6.487 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.186 -13.244 4.091 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.754 -12.085 3.208 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.266 -12.140 2.897 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.444 -11.841 4.068 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.223 -11.313 4.005 1.00 0.00 C ATOM 828 NH1 ARG 1 61 0.328 -11.028 2.831 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.453 -11.074 5.121 1.00 0.00 N ATOM 0 H ARG 1 61 -6.342 -11.662 5.443 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.180 -13.769 3.454 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -3.685 -13.160 5.055 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -3.852 -14.178 3.638 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.321 -12.105 2.278 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.988 -11.143 3.704 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.012 -13.131 2.521 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.036 -11.429 2.103 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.829 -12.049 4.989 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.184 -11.213 1.969 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 1.264 -10.624 2.791 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 0.038 -11.295 6.026 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.388 -10.670 5.074 1.00 0.00 H new ATOM 843 N ILE 1 62 -5.475 -15.404 5.508 1.00 0.00 N ATOM 844 CA ILE 1 62 -5.650 -16.348 6.601 1.00 0.00 C ATOM 845 C ILE 1 62 -4.826 -17.601 6.346 1.00 0.00 C ATOM 846 O ILE 1 62 -4.831 -18.151 5.244 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.131 -16.726 6.798 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.277 -17.846 7.833 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -7.750 -17.135 5.473 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -6.758 -17.473 9.205 1.00 0.00 C ATOM 0 H ILE 1 62 -4.929 -15.767 4.727 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.305 -15.863 7.514 1.00 0.00 H new ATOM 0 HB ILE 1 62 -7.662 -15.851 7.174 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.329 -18.120 7.914 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -6.744 -18.728 7.479 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -8.796 -17.400 5.626 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -7.685 -16.305 4.769 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.214 -17.994 5.071 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -6.894 -18.313 9.886 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -5.698 -17.227 9.139 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.308 -16.610 9.580 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.106 -18.034 7.368 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.253 -19.211 7.261 1.00 0.00 C ATOM 864 C ALA 1 63 -4.031 -20.433 6.772 1.00 0.00 C ATOM 865 O ALA 1 63 -4.101 -20.684 5.569 1.00 0.00 O ATOM 866 CB ALA 1 63 -2.563 -19.489 8.589 1.00 0.00 C ATOM 0 H ALA 1 63 -4.094 -17.588 8.285 1.00 0.00 H new ATOM 0 HA ALA 1 63 -2.488 -19.003 6.513 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -1.930 -20.371 8.492 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -1.951 -18.631 8.867 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -3.314 -19.664 9.360 1.00 0.00 H new ATOM 872 N ARG 1 64 -4.611 -21.194 7.697 1.00 0.00 N ATOM 873 CA ARG 1 64 -5.371 -22.387 7.328 1.00 0.00 C ATOM 874 C ARG 1 64 -6.413 -22.734 8.384 1.00 0.00 C ATOM 875 O ARG 1 64 -6.336 -23.780 9.029 1.00 0.00 O ATOM 876 CB ARG 1 64 -4.431 -23.579 7.122 1.00 0.00 C ATOM 877 CG ARG 1 64 -3.494 -23.425 5.937 1.00 0.00 C ATOM 878 CD ARG 1 64 -2.203 -22.730 6.338 1.00 0.00 C ATOM 879 NE ARG 1 64 -1.741 -21.797 5.312 1.00 0.00 N ATOM 880 CZ ARG 1 64 -0.781 -20.896 5.508 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -0.180 -20.803 6.687 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -0.421 -20.087 4.521 1.00 0.00 N ATOM 0 H ARG 1 64 -4.571 -21.009 8.699 1.00 0.00 H new ATOM 0 HA ARG 1 64 -5.889 -22.168 6.394 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -3.838 -23.722 8.025 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -5.028 -24.481 6.986 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -3.267 -24.406 5.521 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -3.989 -22.853 5.152 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -2.356 -22.193 7.274 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -1.431 -23.477 6.522 1.00 0.00 H new ATOM 0 HE ARG 1 64 -2.180 -21.839 4.392 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -0.453 -21.424 7.449 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 0.555 -20.111 6.832 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -0.880 -20.155 3.612 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 0.315 -19.396 4.670 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.391 -21.855 8.553 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.435 -22.097 9.529 1.00 0.00 C ATOM 898 C GLY 1 65 -8.949 -20.823 10.163 1.00 0.00 C ATOM 899 O GLY 1 65 -9.578 -19.998 9.501 1.00 0.00 O ATOM 0 H GLY 1 65 -7.480 -20.982 8.034 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -9.263 -22.618 9.048 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -8.053 -22.757 10.308 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.679 -20.666 11.452 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.115 -19.487 12.187 1.00 0.00 C ATOM 905 C ASP 1 66 -8.458 -19.427 13.561 1.00 0.00 C ATOM 906 O ASP 1 66 -9.023 -19.884 14.554 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.637 -19.484 12.336 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.328 -18.752 11.202 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.012 -17.564 10.983 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.185 -19.367 10.534 1.00 0.00 O ATOM 0 H ASP 1 66 -8.159 -21.342 12.011 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.812 -18.606 11.621 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.998 -20.512 12.374 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.906 -19.017 13.283 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.262 -18.859 13.603 1.00 0.00 N ATOM 916 CA TRP 1 67 -6.510 -18.728 14.846 1.00 0.00 C ATOM 917 C TRP 1 67 -6.238 -17.261 15.139 1.00 0.00 C ATOM 918 O TRP 1 67 -6.791 -16.682 16.074 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.185 -19.495 14.748 1.00 0.00 C ATOM 920 CG TRP 1 67 -4.931 -20.072 13.389 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.569 -19.394 12.259 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.032 -21.447 13.016 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.442 -20.267 11.209 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.718 -21.534 11.649 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.356 -22.612 13.710 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.721 -22.742 10.962 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.358 -23.814 13.028 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.042 -23.871 11.665 1.00 0.00 C ATOM 0 H TRP 1 67 -6.787 -18.478 12.785 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.102 -19.149 15.658 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -4.366 -18.825 15.009 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -5.185 -20.300 15.482 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.407 -18.328 12.201 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -4.184 -20.014 10.255 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.601 -22.576 14.761 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -4.479 -22.788 9.911 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.607 -24.723 13.554 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -5.052 -24.825 11.159 1.00 0.00 H new ATOM 939 N ASN 1 68 -5.391 -16.671 14.313 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.035 -15.265 14.442 1.00 0.00 C ATOM 941 C ASN 1 68 -5.680 -14.460 13.320 1.00 0.00 C ATOM 942 O ASN 1 68 -6.044 -13.298 13.501 1.00 0.00 O ATOM 943 CB ASN 1 68 -3.515 -15.087 14.407 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.783 -16.175 15.170 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.320 -15.960 16.290 1.00 0.00 O ATOM 946 ND2 ASN 1 68 -2.674 -17.353 14.565 1.00 0.00 N ATOM 0 H ASN 1 68 -4.932 -17.148 13.537 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.403 -14.902 15.401 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.177 -15.085 13.371 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.257 -14.116 14.829 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -2.192 -18.122 15.030 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -3.073 -17.488 13.636 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.823 -15.097 12.160 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.431 -14.458 10.999 1.00 0.00 C ATOM 955 C ASP 1 69 -5.627 -13.247 10.549 1.00 0.00 C ATOM 956 O ASP 1 69 -5.063 -12.522 11.369 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.862 -14.032 11.318 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.853 -15.169 11.168 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -8.802 -16.113 11.984 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.681 -15.115 10.234 1.00 0.00 O ATOM 0 H ASP 1 69 -5.524 -16.059 12.000 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.440 -15.186 10.188 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.905 -13.649 12.338 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.150 -13.214 10.658 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.591 -13.024 9.241 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.868 -11.890 8.686 1.00 0.00 C ATOM 967 C ASP 1 70 -5.784 -10.683 8.583 1.00 0.00 C ATOM 968 O ASP 1 70 -6.838 -10.748 7.950 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.297 -12.235 7.312 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.251 -11.241 6.858 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.569 -10.035 6.802 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.114 -11.666 6.562 1.00 0.00 O ATOM 0 H ASP 1 70 -6.053 -13.612 8.548 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.040 -11.650 9.354 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -3.858 -13.232 7.344 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.106 -12.266 6.582 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.397 -9.588 9.228 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.222 -8.391 9.220 1.00 0.00 C ATOM 979 C TYR 1 71 -5.440 -7.123 8.943 1.00 0.00 C ATOM 980 O TYR 1 71 -4.276 -6.989 9.321 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.930 -8.256 10.556 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.124 -9.153 10.663 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.288 -8.840 9.993 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.085 -10.309 11.422 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.395 -9.650 10.071 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.184 -11.134 11.509 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.342 -10.802 10.831 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.445 -11.621 10.916 1.00 0.00 O ATOM 0 H TYR 1 71 -4.528 -9.506 9.756 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.937 -8.510 8.406 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.231 -8.489 11.359 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.243 -7.221 10.695 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.330 -7.941 9.396 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.181 -10.568 11.953 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.299 -9.388 9.542 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.142 -12.035 12.103 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.239 -12.389 11.489 1.00 0.00 H new ATOM 998 N CYS 1 72 -6.115 -6.185 8.292 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.525 -4.900 7.965 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.347 -4.065 9.227 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.952 -4.352 10.260 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.411 -4.158 6.966 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.564 -2.811 6.085 1.00 0.00 S ATOM 0 H CYS 1 72 -7.080 -6.295 7.979 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.546 -5.067 7.515 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.794 -4.871 6.236 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -7.272 -3.748 7.494 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.512 -3.036 9.141 1.00 0.00 N ATOM 1009 CA THR 1 73 -4.256 -2.167 10.284 1.00 0.00 C ATOM 1010 C THR 1 73 -4.591 -0.710 9.963 1.00 0.00 C ATOM 1011 O THR 1 73 -4.402 0.175 10.797 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.794 -2.286 10.717 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.957 -1.509 9.879 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -2.277 -3.710 10.690 1.00 0.00 C ATOM 0 H THR 1 73 -4.002 -2.783 8.295 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.902 -2.488 11.101 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.767 -1.925 11.745 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -1.026 -1.597 10.174 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -1.234 -3.725 11.008 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.871 -4.326 11.365 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.353 -4.106 9.677 1.00 0.00 H new ATOM 1022 N GLY 1 74 -5.092 -0.466 8.754 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.444 0.883 8.354 1.00 0.00 C ATOM 1024 C GLY 1 74 -4.271 1.842 8.425 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.460 3.058 8.476 1.00 0.00 O ATOM 0 H GLY 1 74 -5.260 -1.180 8.045 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.832 0.866 7.336 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -6.246 1.249 8.995 1.00 0.00 H new ATOM 1029 N LYS 1 75 -3.057 1.299 8.428 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.854 2.123 8.494 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.805 1.658 7.486 1.00 0.00 C ATOM 1032 O LYS 1 75 0.350 2.078 7.548 1.00 0.00 O ATOM 1033 CB LYS 1 75 -1.262 2.088 9.905 1.00 0.00 C ATOM 1034 CG LYS 1 75 -2.274 2.375 11.004 1.00 0.00 C ATOM 1035 CD LYS 1 75 -2.259 1.293 12.071 1.00 0.00 C ATOM 1036 CE LYS 1 75 -1.331 1.656 13.219 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.094 1.698 12.790 1.00 0.00 N ATOM 0 H LYS 1 75 -2.880 0.295 8.386 1.00 0.00 H new ATOM 0 HA LYS 1 75 -2.140 3.145 8.246 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.820 1.107 10.079 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -0.455 2.818 9.968 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.054 3.340 11.460 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -3.272 2.447 10.571 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -3.269 1.142 12.452 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.941 0.349 11.629 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -1.617 2.627 13.624 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.447 0.929 14.023 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.701 1.865 13.618 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 0.351 0.791 12.350 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 0.227 2.467 12.102 1.00 0.00 H new ATOM 1051 N SER 1 76 -1.205 0.790 6.559 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.282 0.281 5.550 1.00 0.00 C ATOM 1053 C SER 1 76 -1.005 -0.589 4.526 1.00 0.00 C ATOM 1054 O SER 1 76 -2.132 -1.030 4.752 1.00 0.00 O ATOM 1055 CB SER 1 76 0.836 -0.522 6.216 1.00 0.00 C ATOM 1056 OG SER 1 76 0.309 -1.474 7.125 1.00 0.00 O ATOM 0 H SER 1 76 -2.156 0.427 6.486 1.00 0.00 H new ATOM 0 HA SER 1 76 0.148 1.136 5.028 1.00 0.00 H new ATOM 0 HB2 SER 1 76 1.426 -1.030 5.454 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.510 0.154 6.743 1.00 0.00 H new ATOM 0 HG SER 1 76 1.044 -1.975 7.536 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.339 -0.837 3.401 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.902 -1.662 2.335 1.00 0.00 C ATOM 1064 C SER 1 77 -0.577 -3.139 2.557 1.00 0.00 C ATOM 1065 O SER 1 77 -0.767 -3.964 1.663 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.365 -1.211 0.973 1.00 0.00 C ATOM 1067 OG SER 1 77 0.335 0.017 1.079 1.00 0.00 O ATOM 0 H SER 1 77 0.595 -0.477 3.204 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.985 -1.540 2.351 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.297 -1.976 0.569 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.192 -1.102 0.271 1.00 0.00 H new ATOM 0 HG SER 1 77 -0.122 0.600 1.720 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.084 -3.466 3.749 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.269 -4.842 4.077 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.653 -5.401 5.154 1.00 0.00 C ATOM 1076 O ASP 1 78 -0.770 -4.837 6.242 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.723 -4.919 4.545 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.687 -5.160 3.400 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.617 -4.417 2.398 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.513 -6.091 3.505 1.00 0.00 O ATOM 0 H ASP 1 78 0.079 -2.797 4.502 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.151 -5.444 3.176 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.989 -3.991 5.051 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.824 -5.721 5.277 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.303 -6.516 4.843 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.214 -7.161 5.779 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.521 -8.325 6.491 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.348 -9.398 5.914 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.459 -7.658 5.041 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.021 -7.119 5.804 1.00 0.00 S ATOM 0 H CYS 1 79 -1.215 -6.993 3.946 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.515 -6.430 6.529 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.426 -7.304 4.011 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.439 -8.747 5.004 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.105 -8.126 7.757 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.420 -9.165 8.540 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.345 -10.314 8.937 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.512 -10.099 9.263 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.055 -8.411 9.785 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.894 -7.273 9.922 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.259 -6.873 8.521 1.00 0.00 C ATOM 0 HA PRO 1 80 0.382 -9.636 7.971 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.036 -9.051 10.667 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.080 -8.060 9.668 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.778 -7.567 10.487 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.434 -6.443 10.458 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.278 -6.491 8.465 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.603 -6.089 8.143 1.00 0.00 H new ATOM 1109 N TRP 1 81 -0.810 -11.534 8.912 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.585 -12.726 9.275 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.897 -12.747 10.764 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.784 -13.474 11.212 1.00 0.00 O ATOM 1113 CB TRP 1 81 -0.840 -14.022 8.926 1.00 0.00 C ATOM 1114 CG TRP 1 81 0.314 -13.856 7.990 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.602 -13.536 8.312 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 0.281 -14.019 6.576 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 2.371 -13.487 7.174 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.580 -13.782 6.095 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -0.727 -14.342 5.674 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.895 -13.862 4.744 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.417 -14.423 4.330 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.886 -14.184 3.875 1.00 0.00 C ATOM 0 H TRP 1 81 0.156 -11.726 8.645 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.509 -12.674 8.699 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.477 -14.474 9.849 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -1.549 -14.723 8.484 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.963 -13.349 9.313 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.366 -13.267 7.139 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -1.734 -14.526 6.018 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.899 -13.677 4.392 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.191 -14.674 3.620 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.099 -14.255 2.819 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.140 -11.972 11.525 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.302 -11.918 12.975 1.00 0.00 C ATOM 1135 C ASN 1 82 -0.652 -13.142 13.615 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.062 -13.591 14.685 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.783 -11.851 13.358 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.998 -11.298 14.753 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.763 -11.983 15.748 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -3.446 -10.050 14.832 1.00 0.00 N ATOM 0 H ASN 1 82 -0.403 -11.367 11.163 1.00 0.00 H new ATOM 0 HA ASN 1 82 -0.813 -11.016 13.342 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.313 -11.228 12.638 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.217 -12.849 13.296 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -3.608 -9.623 15.744 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -3.628 -9.518 13.981 1.00 0.00 H new ATOM 1147 N HIS 1 83 0.361 -13.680 12.938 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.072 -14.858 13.418 1.00 0.00 C ATOM 1149 C HIS 1 83 2.392 -14.470 14.077 1.00 0.00 C ATOM 1150 O HIS 1 83 3.124 -15.382 14.516 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.326 -15.820 12.255 1.00 0.00 C ATOM 1152 CG HIS 1 83 0.071 -16.244 11.561 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 0.032 -16.634 10.240 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -1.202 -16.322 12.012 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -1.212 -16.930 9.908 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -1.979 -16.750 10.966 1.00 0.00 N ATOM 1157 OXT HIS 1 83 2.684 -13.258 14.146 1.00 0.00 O ATOM 0 H HIS 1 83 0.707 -13.315 12.051 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.453 -15.353 14.167 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.989 -15.342 11.534 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.844 -16.703 12.628 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -1.543 -16.090 13.010 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -1.544 -17.263 8.936 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -2.987 -16.904 11.001 1.00 0.00 H new TER 1166 HIS 1 83