USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 526 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= -0.746 F(o=-12,f=-8.8) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -8.09 K(o=-8.8,f=-12!) USER MOD Set 2.1: 1 30 ASN :FLIP amide:sc= -2.75! C(o=-7.3!,f=-5.8!) USER MOD Set 2.2: 1 33 THR OG1 : rot -80:sc= -3.02! USER MOD Set 3.1: 1 20 SER OG : rot -9:sc= 0.94 USER MOD Set 3.2: 1 23 ASN : amide:sc= -0.985 K(o=-0.045,f=-3!) USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0254) USER MOD Single : 1 12 GLN : amide:sc= -7.27! C(o=-7.3!,f=-16!) USER MOD Single : 1 25 GLN : amide:sc= -0.279 K(o=-0.28,f=-1.4!) USER MOD Single : 1 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0267) USER MOD Single : 1 37 THR OG1 : rot 25:sc= -1.94 USER MOD Single : 1 40 SER OG : rot 162:sc= -0.425 USER MOD Single : 1 41 GLN : amide:sc= -1.22 K(o=-1.2,f=-7!) USER MOD Single : 1 43 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.81) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 82:sc= 0.927 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+ -140:sc= -0.0701 (180deg=-0.419) USER MOD Single : 1 76 SER OG : rot 180:sc= -0.327 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0823 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -0.247 17.937 12.259 1.00 0.00 N ATOM 43 CA VAL 1 4 -0.345 17.162 11.053 1.00 0.00 C ATOM 44 C VAL 1 4 0.810 17.514 10.127 1.00 0.00 C ATOM 45 O VAL 1 4 0.708 18.428 9.309 1.00 0.00 O ATOM 46 CB VAL 1 4 -1.689 17.418 10.331 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.229 16.133 9.738 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.721 18.032 11.271 1.00 0.00 C ATOM 0 HA VAL 1 4 -0.298 16.106 11.319 1.00 0.00 H new ATOM 0 HB VAL 1 4 -1.498 18.129 9.527 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.175 16.334 9.235 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -1.513 15.735 9.019 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.389 15.404 10.533 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.653 18.198 10.730 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -2.902 17.354 12.105 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.347 18.983 11.650 1.00 0.00 H new ATOM 58 N CYS 1 5 1.917 16.792 10.270 1.00 0.00 N ATOM 59 CA CYS 1 5 3.096 17.053 9.443 1.00 0.00 C ATOM 60 C CYS 1 5 2.795 16.676 7.999 1.00 0.00 C ATOM 61 O CYS 1 5 2.878 15.509 7.615 1.00 0.00 O ATOM 62 CB CYS 1 5 4.339 16.277 9.938 1.00 0.00 C ATOM 63 SG CYS 1 5 4.173 15.458 11.567 1.00 0.00 S ATOM 0 H CYS 1 5 2.025 16.031 10.941 1.00 0.00 H new ATOM 0 HA CYS 1 5 3.325 18.116 9.516 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.590 15.519 9.196 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 5.180 16.968 9.984 1.00 0.00 H new ATOM 68 N GLY 1 6 2.423 17.679 7.208 1.00 0.00 N ATOM 69 CA GLY 1 6 2.081 17.449 5.818 1.00 0.00 C ATOM 70 C GLY 1 6 0.576 17.349 5.609 1.00 0.00 C ATOM 71 O GLY 1 6 0.117 16.919 4.551 1.00 0.00 O ATOM 0 H GLY 1 6 2.353 18.651 7.509 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.478 18.260 5.208 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.556 16.530 5.475 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.191 17.745 6.628 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.652 17.698 6.568 1.00 0.00 C ATOM 77 C ASN 1 7 -2.144 16.268 6.402 1.00 0.00 C ATOM 78 O ASN 1 7 -1.572 15.492 5.636 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.178 18.559 5.416 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.557 19.957 5.863 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -3.689 20.204 6.277 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -1.607 20.882 5.782 1.00 0.00 N ATOM 0 H ASN 1 7 0.179 18.103 7.508 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.033 18.095 7.509 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.417 18.623 4.638 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.048 18.075 4.972 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -1.803 21.841 6.069 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -0.682 20.633 5.433 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.209 15.926 7.125 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.783 14.585 7.063 1.00 0.00 C ATOM 91 C LYS 1 8 -3.855 14.104 5.622 1.00 0.00 C ATOM 92 O LYS 1 8 -4.772 14.469 4.885 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.180 14.577 7.691 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.894 13.238 7.583 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.298 12.210 8.529 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.374 11.330 9.146 1.00 0.00 C ATOM 97 NZ LYS 1 8 -7.160 12.056 10.181 1.00 0.00 N ATOM 0 H LYS 1 8 -3.692 16.561 7.761 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.140 13.907 7.625 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.097 14.850 8.743 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.789 15.343 7.210 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -6.952 13.370 7.808 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -5.829 12.872 6.558 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -4.584 11.588 7.989 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.745 12.718 9.319 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.045 10.975 8.364 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -5.911 10.450 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.752 11.380 10.705 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.511 12.531 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.767 12.764 9.722 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.873 13.299 5.216 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.835 12.795 3.842 1.00 0.00 C ATOM 113 C ILE 1 9 -4.212 12.342 3.389 1.00 0.00 C ATOM 114 O ILE 1 9 -4.873 11.543 4.053 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.820 11.651 3.645 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.908 10.621 4.770 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.418 12.225 3.563 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -3.034 9.625 4.598 1.00 0.00 C ATOM 0 H ILE 1 9 -2.104 12.985 5.808 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.505 13.632 3.226 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.059 11.138 2.714 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.963 10.081 4.830 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.038 11.142 5.718 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.299 11.416 3.424 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.356 12.914 2.721 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.189 12.758 4.486 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.033 8.926 5.435 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.986 10.154 4.568 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.895 9.076 3.667 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.648 12.890 2.267 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.959 12.580 1.726 1.00 0.00 C ATOM 132 C LEU 1 10 -5.923 11.385 0.779 1.00 0.00 C ATOM 133 O LEU 1 10 -6.900 11.103 0.087 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.532 13.817 1.022 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.601 14.514 0.014 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.741 15.559 0.712 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.728 13.510 -0.729 1.00 0.00 C ATOM 0 H LEU 1 10 -4.110 13.555 1.711 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.609 12.303 2.556 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -7.444 13.524 0.501 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.819 14.543 1.783 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.228 15.015 -0.723 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.090 16.041 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.383 16.308 1.175 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.134 15.077 1.478 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.084 14.038 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.113 12.963 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -5.362 12.810 -1.273 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.795 10.685 0.765 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.624 9.508 -0.090 1.00 0.00 C ATOM 151 C GLU 1 11 -3.186 8.991 -0.060 1.00 0.00 C ATOM 152 O GLU 1 11 -2.677 8.516 -1.075 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.003 9.838 -1.537 1.00 0.00 C ATOM 154 CG GLU 1 11 -4.112 10.896 -2.167 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.107 10.310 -3.139 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -3.418 9.272 -3.761 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.009 10.888 -3.279 1.00 0.00 O ATOM 0 H GLU 1 11 -3.981 10.910 1.336 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.282 8.731 0.299 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -4.953 8.928 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.037 10.181 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.733 11.625 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.581 11.433 -1.381 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.528 9.080 1.094 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.150 8.614 1.207 1.00 0.00 C ATOM 166 C GLN 1 12 -0.993 7.548 2.300 1.00 0.00 C ATOM 167 O GLN 1 12 -1.150 6.357 2.036 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.204 9.790 1.475 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.497 11.040 0.656 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.428 10.805 -0.841 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -0.553 9.676 -1.312 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.226 11.877 -1.598 1.00 0.00 N ATOM 0 H GLN 1 12 -2.921 9.465 1.953 1.00 0.00 H new ATOM 0 HA GLN 1 12 -0.885 8.153 0.255 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.254 10.045 2.533 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.818 9.470 1.272 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.489 11.411 0.913 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.215 11.819 0.928 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.128 12.796 -1.166 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.169 11.782 -2.612 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.655 7.975 3.517 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.453 7.036 4.607 1.00 0.00 C ATOM 183 C GLY 1 13 0.830 6.250 4.423 1.00 0.00 C ATOM 184 O GLY 1 13 0.980 5.154 4.961 1.00 0.00 O ATOM 0 H GLY 1 13 -0.518 8.955 3.766 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.419 7.575 5.554 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.298 6.350 4.661 1.00 0.00 H new ATOM 188 N GLU 1 14 1.742 6.824 3.634 1.00 0.00 N ATOM 189 CA GLU 1 14 3.035 6.213 3.310 1.00 0.00 C ATOM 190 C GLU 1 14 3.593 6.868 2.058 1.00 0.00 C ATOM 191 O GLU 1 14 4.805 6.946 1.861 1.00 0.00 O ATOM 192 CB GLU 1 14 2.878 4.706 3.066 1.00 0.00 C ATOM 193 CG GLU 1 14 2.084 4.378 1.810 1.00 0.00 C ATOM 194 CD GLU 1 14 2.945 3.782 0.714 1.00 0.00 C ATOM 195 OE1 GLU 1 14 4.033 4.335 0.447 1.00 0.00 O ATOM 196 OE2 GLU 1 14 2.532 2.763 0.121 1.00 0.00 O ATOM 0 H GLU 1 14 1.603 7.735 3.197 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.714 6.361 4.149 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 3.866 4.252 2.991 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 2.385 4.255 3.927 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 1.287 3.678 2.061 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 1.607 5.285 1.439 1.00 0.00 H new ATOM 203 N ASP 1 15 2.685 7.339 1.214 1.00 0.00 N ATOM 204 CA ASP 1 15 3.049 7.994 -0.026 1.00 0.00 C ATOM 205 C ASP 1 15 3.949 9.193 0.237 1.00 0.00 C ATOM 206 O ASP 1 15 5.082 9.244 -0.242 1.00 0.00 O ATOM 207 CB ASP 1 15 1.784 8.435 -0.755 1.00 0.00 C ATOM 208 CG ASP 1 15 1.933 8.386 -2.263 1.00 0.00 C ATOM 209 OD1 ASP 1 15 2.943 8.911 -2.777 1.00 0.00 O ATOM 210 OD2 ASP 1 15 1.040 7.822 -2.929 1.00 0.00 O ATOM 0 H ASP 1 15 1.679 7.276 1.373 1.00 0.00 H new ATOM 0 HA ASP 1 15 3.601 7.289 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 0.954 7.795 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.530 9.451 -0.452 1.00 0.00 H new ATOM 215 N CYS 1 16 3.441 10.160 1.003 1.00 0.00 N ATOM 216 CA CYS 1 16 4.208 11.359 1.323 1.00 0.00 C ATOM 217 C CYS 1 16 3.331 12.430 1.977 1.00 0.00 C ATOM 218 O CYS 1 16 2.224 12.712 1.518 1.00 0.00 O ATOM 219 CB CYS 1 16 4.861 11.912 0.050 1.00 0.00 C ATOM 220 SG CYS 1 16 5.250 13.694 0.098 1.00 0.00 S ATOM 0 H CYS 1 16 2.506 10.134 1.410 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.983 11.085 2.039 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.781 11.359 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.197 11.723 -0.793 1.00 0.00 H new ATOM 225 N ASP 1 17 3.855 13.030 3.043 1.00 0.00 N ATOM 226 CA ASP 1 17 3.161 14.088 3.774 1.00 0.00 C ATOM 227 C ASP 1 17 2.055 13.517 4.650 1.00 0.00 C ATOM 228 O ASP 1 17 1.019 14.155 4.833 1.00 0.00 O ATOM 229 CB ASP 1 17 2.582 15.123 2.801 1.00 0.00 C ATOM 230 CG ASP 1 17 3.098 16.523 3.072 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.267 16.654 3.491 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.333 17.488 2.864 1.00 0.00 O ATOM 0 H ASP 1 17 4.772 12.797 3.424 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.889 14.579 4.420 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.833 14.838 1.779 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.495 15.119 2.875 1.00 0.00 H new ATOM 237 N CYS 1 18 2.289 12.312 5.182 1.00 0.00 N ATOM 238 CA CYS 1 18 1.320 11.618 6.042 1.00 0.00 C ATOM 239 C CYS 1 18 0.432 12.583 6.820 1.00 0.00 C ATOM 240 O CYS 1 18 -0.759 12.331 6.995 1.00 0.00 O ATOM 241 CB CYS 1 18 2.041 10.686 7.022 1.00 0.00 C ATOM 242 SG CYS 1 18 1.641 8.924 6.782 1.00 0.00 S ATOM 0 H CYS 1 18 3.152 11.791 5.030 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.679 11.036 5.380 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.117 10.823 6.916 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.782 10.973 8.041 1.00 0.00 H new ATOM 247 N GLY 1 19 1.011 13.682 7.288 1.00 0.00 N ATOM 248 CA GLY 1 19 0.238 14.643 8.042 1.00 0.00 C ATOM 249 C GLY 1 19 -0.205 14.098 9.371 1.00 0.00 C ATOM 250 O GLY 1 19 0.248 14.560 10.411 1.00 0.00 O ATOM 0 H GLY 1 19 1.994 13.922 7.159 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.834 15.542 8.200 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.637 14.938 7.462 1.00 0.00 H new ATOM 254 N SER 1 20 -1.098 13.116 9.347 1.00 0.00 N ATOM 255 CA SER 1 20 -1.604 12.539 10.578 1.00 0.00 C ATOM 256 C SER 1 20 -0.456 12.140 11.493 1.00 0.00 C ATOM 257 O SER 1 20 0.215 11.131 11.274 1.00 0.00 O ATOM 258 CB SER 1 20 -2.499 11.345 10.285 1.00 0.00 C ATOM 259 OG SER 1 20 -1.739 10.164 10.090 1.00 0.00 O ATOM 0 H SER 1 20 -1.482 12.708 8.495 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.202 13.294 11.089 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.195 11.199 11.111 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.097 11.546 9.396 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.787 10.391 10.045 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.205 12.960 12.524 1.00 0.00 N ATOM 266 CA PRO 1 21 0.878 12.732 13.473 1.00 0.00 C ATOM 267 C PRO 1 21 0.849 11.330 14.063 1.00 0.00 C ATOM 268 O PRO 1 21 1.883 10.797 14.463 1.00 0.00 O ATOM 269 CB PRO 1 21 0.660 13.793 14.563 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.668 14.417 14.277 1.00 0.00 C ATOM 271 CD PRO 1 21 -0.949 14.188 12.825 1.00 0.00 C ATOM 0 HA PRO 1 21 1.853 12.813 12.992 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 0.672 13.341 15.555 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.454 14.540 14.544 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.446 13.971 14.896 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.651 15.483 14.504 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.016 14.068 12.636 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -0.609 15.024 12.213 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.333 10.724 14.097 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.469 9.371 14.618 1.00 0.00 C ATOM 281 C ALA 1 22 0.514 8.437 13.918 1.00 0.00 C ATOM 282 O ALA 1 22 0.913 7.409 14.464 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.896 8.873 14.441 1.00 0.00 C ATOM 0 H ALA 1 22 -1.204 11.145 13.773 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.240 9.383 15.684 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.980 7.860 14.836 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.580 9.530 14.979 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.152 8.872 13.382 1.00 0.00 H new ATOM 289 N ASN 1 23 0.902 8.817 12.702 1.00 0.00 N ATOM 290 CA ASN 1 23 1.842 8.036 11.911 1.00 0.00 C ATOM 291 C ASN 1 23 3.146 8.807 11.685 1.00 0.00 C ATOM 292 O ASN 1 23 4.187 8.211 11.409 1.00 0.00 O ATOM 293 CB ASN 1 23 1.210 7.665 10.568 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.192 7.108 10.723 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -1.045 7.715 11.371 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.437 5.948 10.126 1.00 0.00 N ATOM 0 H ASN 1 23 0.575 9.668 12.243 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.079 7.125 12.461 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.179 8.547 9.928 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.837 6.929 10.066 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.363 5.525 10.194 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.300 5.480 9.599 1.00 0.00 H new ATOM 303 N CYS 1 24 3.083 10.135 11.808 1.00 0.00 N ATOM 304 CA CYS 1 24 4.261 10.985 11.621 1.00 0.00 C ATOM 305 C CYS 1 24 5.407 10.526 12.516 1.00 0.00 C ATOM 306 O CYS 1 24 5.504 10.927 13.676 1.00 0.00 O ATOM 307 CB CYS 1 24 3.908 12.449 11.923 1.00 0.00 C ATOM 308 SG CYS 1 24 5.130 13.675 11.341 1.00 0.00 S ATOM 0 H CYS 1 24 2.229 10.645 12.036 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.583 10.903 10.583 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.944 12.676 11.468 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.787 12.563 13.000 1.00 0.00 H new ATOM 313 N GLN 1 25 6.271 9.674 11.969 1.00 0.00 N ATOM 314 CA GLN 1 25 7.410 9.149 12.714 1.00 0.00 C ATOM 315 C GLN 1 25 6.941 8.218 13.828 1.00 0.00 C ATOM 316 O GLN 1 25 7.431 8.285 14.956 1.00 0.00 O ATOM 317 CB GLN 1 25 8.241 10.293 13.301 1.00 0.00 C ATOM 318 CG GLN 1 25 8.563 11.388 12.297 1.00 0.00 C ATOM 319 CD GLN 1 25 9.983 11.299 11.773 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.892 10.865 12.481 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.181 11.712 10.527 1.00 0.00 N ATOM 0 H GLN 1 25 6.203 9.333 11.010 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.034 8.581 12.024 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.701 10.729 14.141 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.173 9.889 13.696 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.866 11.326 11.461 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.413 12.361 12.765 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 9.398 12.064 9.976 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.116 11.677 10.121 1.00 0.00 H new ATOM 330 N ASP 1 26 5.988 7.350 13.504 1.00 0.00 N ATOM 331 CA ASP 1 26 5.451 6.406 14.477 1.00 0.00 C ATOM 332 C ASP 1 26 5.142 5.060 13.827 1.00 0.00 C ATOM 333 O ASP 1 26 5.871 4.087 14.019 1.00 0.00 O ATOM 334 CB ASP 1 26 4.185 6.973 15.123 1.00 0.00 C ATOM 335 CG ASP 1 26 4.491 8.055 16.141 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.746 7.711 17.314 1.00 0.00 O ATOM 337 OD2 ASP 1 26 4.475 9.246 15.765 1.00 0.00 O ATOM 0 H ASP 1 26 5.572 7.281 12.575 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.208 6.250 15.245 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 3.536 7.380 14.348 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.635 6.166 15.608 1.00 0.00 H new ATOM 342 N ARG 1 27 4.056 5.011 13.061 1.00 0.00 N ATOM 343 CA ARG 1 27 3.652 3.781 12.388 1.00 0.00 C ATOM 344 C ARG 1 27 4.747 3.289 11.439 1.00 0.00 C ATOM 345 O ARG 1 27 5.647 2.556 11.850 1.00 0.00 O ATOM 346 CB ARG 1 27 2.332 3.995 11.637 1.00 0.00 C ATOM 347 CG ARG 1 27 1.896 2.794 10.810 1.00 0.00 C ATOM 348 CD ARG 1 27 0.593 2.203 11.326 1.00 0.00 C ATOM 349 NE ARG 1 27 0.792 1.412 12.538 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.190 1.062 13.365 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -1.441 1.431 13.115 1.00 0.00 N ATOM 352 NH2 ARG 1 27 0.078 0.341 14.445 1.00 0.00 N ATOM 0 H ARG 1 27 3.441 5.807 12.891 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.498 3.011 13.144 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.549 4.232 12.357 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.434 4.859 10.981 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.774 3.093 9.769 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.676 2.033 10.833 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.114 3.007 11.530 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.148 1.576 10.553 1.00 0.00 H new ATOM 0 HE ARG 1 27 1.740 1.110 12.764 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -1.653 1.986 12.286 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -2.190 1.160 13.752 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 1.037 0.055 14.642 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -0.675 0.073 15.079 1.00 0.00 H new ATOM 366 N CYS 1 28 4.672 3.693 10.173 1.00 0.00 N ATOM 367 CA CYS 1 28 5.664 3.287 9.186 1.00 0.00 C ATOM 368 C CYS 1 28 5.701 4.268 8.018 1.00 0.00 C ATOM 369 O CYS 1 28 6.076 3.908 6.903 1.00 0.00 O ATOM 370 CB CYS 1 28 5.365 1.871 8.678 1.00 0.00 C ATOM 371 SG CYS 1 28 3.870 1.741 7.642 1.00 0.00 S ATOM 0 H CYS 1 28 3.937 4.299 9.809 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.642 3.289 9.668 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 6.221 1.516 8.105 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.257 1.206 9.535 1.00 0.00 H new ATOM 376 N CYS 1 29 5.310 5.513 8.281 1.00 0.00 N ATOM 377 CA CYS 1 29 5.303 6.539 7.245 1.00 0.00 C ATOM 378 C CYS 1 29 6.008 7.806 7.710 1.00 0.00 C ATOM 379 O CYS 1 29 6.204 8.021 8.906 1.00 0.00 O ATOM 380 CB CYS 1 29 3.866 6.861 6.821 1.00 0.00 C ATOM 381 SG CYS 1 29 2.970 7.956 7.971 1.00 0.00 S ATOM 0 H CYS 1 29 4.996 5.833 9.197 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.848 6.146 6.387 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.886 7.327 5.836 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.312 5.928 6.721 1.00 0.00 H new ATOM 386 N ASN 1 30 6.383 8.641 6.749 1.00 0.00 N ATOM 387 CA ASN 1 30 7.064 9.892 7.045 1.00 0.00 C ATOM 388 C ASN 1 30 6.200 11.085 6.698 1.00 0.00 C ATOM 389 O ASN 1 30 6.145 11.523 5.549 1.00 0.00 O ATOM 390 CB ASN 1 30 8.379 9.978 6.284 1.00 0.00 C ATOM 391 CG ASN 1 30 9.482 9.169 6.938 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.662 9.355 8.241 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.166 8.385 6.279 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.226 8.472 5.755 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.265 9.909 8.116 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.229 9.624 5.264 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.689 11.021 6.217 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 9.993 8.273 5.280 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.905 7.848 6.732 1.00 0.00 H new ATOM 400 N ALA 1 31 5.561 11.627 7.716 1.00 0.00 N ATOM 401 CA ALA 1 31 4.729 12.804 7.554 1.00 0.00 C ATOM 402 C ALA 1 31 5.622 14.034 7.541 1.00 0.00 C ATOM 403 O ALA 1 31 5.268 15.078 6.992 1.00 0.00 O ATOM 404 CB ALA 1 31 3.696 12.889 8.670 1.00 0.00 C ATOM 0 H ALA 1 31 5.602 11.269 8.670 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.185 12.744 6.612 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.082 13.779 8.530 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.062 12.003 8.647 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.204 12.946 9.633 1.00 0.00 H new ATOM 410 N ALA 1 32 6.801 13.881 8.143 1.00 0.00 N ATOM 411 CA ALA 1 32 7.785 14.949 8.205 1.00 0.00 C ATOM 412 C ALA 1 32 8.905 14.709 7.202 1.00 0.00 C ATOM 413 O ALA 1 32 9.809 15.533 7.057 1.00 0.00 O ATOM 414 CB ALA 1 32 8.361 15.048 9.609 1.00 0.00 C ATOM 0 H ALA 1 32 7.095 13.017 8.598 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.289 15.887 7.954 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.097 15.851 9.644 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.560 15.259 10.317 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.840 14.105 9.873 1.00 0.00 H new ATOM 420 N THR 1 33 8.857 13.562 6.531 1.00 0.00 N ATOM 421 CA THR 1 33 9.886 13.202 5.569 1.00 0.00 C ATOM 422 C THR 1 33 9.308 12.949 4.174 1.00 0.00 C ATOM 423 O THR 1 33 10.054 12.787 3.208 1.00 0.00 O ATOM 424 CB THR 1 33 10.677 11.993 6.079 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.331 11.673 7.422 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.159 12.224 6.072 1.00 0.00 C ATOM 0 H THR 1 33 8.116 12.869 6.638 1.00 0.00 H new ATOM 0 HA THR 1 33 10.567 14.047 5.469 1.00 0.00 H new ATOM 0 HB THR 1 33 10.419 11.184 5.396 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.801 12.277 8.034 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.668 11.334 6.443 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.490 12.433 5.055 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.398 13.073 6.713 1.00 0.00 H new ATOM 434 N CYS 1 34 7.981 12.963 4.065 1.00 0.00 N ATOM 435 CA CYS 1 34 7.311 12.786 2.777 1.00 0.00 C ATOM 436 C CYS 1 34 7.591 11.419 2.138 1.00 0.00 C ATOM 437 O CYS 1 34 7.830 11.325 0.936 1.00 0.00 O ATOM 438 CB CYS 1 34 7.725 13.938 1.843 1.00 0.00 C ATOM 439 SG CYS 1 34 7.276 13.743 0.084 1.00 0.00 S ATOM 0 H CYS 1 34 7.347 13.095 4.853 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.234 12.811 2.945 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.274 14.859 2.213 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.806 14.063 1.910 1.00 0.00 H new ATOM 444 N LYS 1 35 7.538 10.347 2.928 1.00 0.00 N ATOM 445 CA LYS 1 35 7.765 9.009 2.370 1.00 0.00 C ATOM 446 C LYS 1 35 7.645 7.897 3.405 1.00 0.00 C ATOM 447 O LYS 1 35 8.081 8.031 4.541 1.00 0.00 O ATOM 448 CB LYS 1 35 9.137 8.926 1.716 1.00 0.00 C ATOM 449 CG LYS 1 35 9.127 8.225 0.367 1.00 0.00 C ATOM 450 CD LYS 1 35 8.390 9.042 -0.681 1.00 0.00 C ATOM 451 CE LYS 1 35 9.214 10.234 -1.136 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.318 9.831 -2.051 1.00 0.00 N ATOM 0 H LYS 1 35 7.346 10.372 3.929 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.980 8.859 1.629 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.531 9.934 1.589 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.818 8.399 2.385 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 10.152 8.051 0.039 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 8.654 7.248 0.467 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.157 8.411 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 7.441 9.389 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 8.567 10.950 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 9.631 10.740 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 10.770 10.681 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.022 9.277 -1.523 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 9.933 9.253 -2.826 1.00 0.00 H new ATOM 466 N LEU 1 36 7.084 6.774 2.983 1.00 0.00 N ATOM 467 CA LEU 1 36 6.947 5.622 3.862 1.00 0.00 C ATOM 468 C LEU 1 36 8.318 5.201 4.386 1.00 0.00 C ATOM 469 O LEU 1 36 9.234 4.929 3.611 1.00 0.00 O ATOM 470 CB LEU 1 36 6.267 4.468 3.126 1.00 0.00 C ATOM 471 CG LEU 1 36 7.123 3.751 2.085 1.00 0.00 C ATOM 472 CD1 LEU 1 36 6.293 2.699 1.363 1.00 0.00 C ATOM 473 CD2 LEU 1 36 7.705 4.751 1.096 1.00 0.00 C ATOM 0 H LEU 1 36 6.717 6.636 2.041 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.321 5.896 4.711 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 5.935 3.737 3.863 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.374 4.852 2.633 1.00 0.00 H new ATOM 0 HG LEU 1 36 7.950 3.253 2.591 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 6.912 2.193 0.622 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 5.921 1.971 2.084 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 5.451 3.179 0.865 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 8.313 4.224 0.361 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.895 5.275 0.589 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 8.325 5.472 1.629 1.00 0.00 H new ATOM 485 N THR 1 37 8.459 5.185 5.705 1.00 0.00 N ATOM 486 CA THR 1 37 9.726 4.839 6.341 1.00 0.00 C ATOM 487 C THR 1 37 10.293 3.513 5.842 1.00 0.00 C ATOM 488 O THR 1 37 9.554 2.608 5.454 1.00 0.00 O ATOM 489 CB THR 1 37 9.562 4.791 7.856 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.388 4.086 8.215 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.488 6.163 8.477 1.00 0.00 C ATOM 0 H THR 1 37 7.709 5.408 6.359 1.00 0.00 H new ATOM 0 HA THR 1 37 10.437 5.619 6.069 1.00 0.00 H new ATOM 0 HB THR 1 37 10.448 4.281 8.233 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.149 3.462 7.498 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.371 6.068 9.557 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.404 6.711 8.258 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.635 6.703 8.066 1.00 0.00 H new ATOM 499 N PRO 1 38 11.634 3.390 5.863 1.00 0.00 N ATOM 500 CA PRO 1 38 12.335 2.179 5.427 1.00 0.00 C ATOM 501 C PRO 1 38 11.745 0.914 6.037 1.00 0.00 C ATOM 502 O PRO 1 38 11.233 0.931 7.156 1.00 0.00 O ATOM 503 CB PRO 1 38 13.756 2.402 5.942 1.00 0.00 C ATOM 504 CG PRO 1 38 13.920 3.879 5.945 1.00 0.00 C ATOM 505 CD PRO 1 38 12.575 4.433 6.323 1.00 0.00 C ATOM 0 HA PRO 1 38 12.268 2.031 4.349 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.887 1.986 6.941 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.492 1.922 5.298 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.685 4.187 6.657 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.232 4.241 4.965 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.496 4.600 7.397 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.383 5.390 5.837 1.00 0.00 H new ATOM 513 N GLY 1 39 11.820 -0.180 5.291 1.00 0.00 N ATOM 514 CA GLY 1 39 11.289 -1.442 5.770 1.00 0.00 C ATOM 515 C GLY 1 39 9.856 -1.667 5.331 1.00 0.00 C ATOM 516 O GLY 1 39 9.437 -2.804 5.116 1.00 0.00 O ATOM 0 H GLY 1 39 12.239 -0.217 4.362 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.911 -2.258 5.403 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.341 -1.466 6.858 1.00 0.00 H new ATOM 520 N SER 1 40 9.103 -0.580 5.197 1.00 0.00 N ATOM 521 CA SER 1 40 7.711 -0.664 4.779 1.00 0.00 C ATOM 522 C SER 1 40 7.592 -0.535 3.265 1.00 0.00 C ATOM 523 O SER 1 40 8.006 0.467 2.683 1.00 0.00 O ATOM 524 CB SER 1 40 6.884 0.427 5.463 1.00 0.00 C ATOM 525 OG SER 1 40 5.597 0.533 4.880 1.00 0.00 O ATOM 0 H SER 1 40 9.435 0.369 5.372 1.00 0.00 H new ATOM 0 HA SER 1 40 7.326 -1.640 5.075 1.00 0.00 H new ATOM 0 HB2 SER 1 40 6.788 0.203 6.525 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.402 1.383 5.385 1.00 0.00 H new ATOM 0 HG SER 1 40 5.001 1.016 5.489 1.00 0.00 H new ATOM 531 N GLN 1 41 7.024 -1.556 2.631 1.00 0.00 N ATOM 532 CA GLN 1 41 6.852 -1.552 1.183 1.00 0.00 C ATOM 533 C GLN 1 41 5.751 -0.581 0.777 1.00 0.00 C ATOM 534 O GLN 1 41 5.909 0.197 -0.164 1.00 0.00 O ATOM 535 CB GLN 1 41 6.517 -2.959 0.683 1.00 0.00 C ATOM 536 CG GLN 1 41 7.370 -4.049 1.311 1.00 0.00 C ATOM 537 CD GLN 1 41 8.856 -3.783 1.166 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.349 -2.724 1.554 1.00 0.00 O ATOM 539 NE2 GLN 1 41 9.578 -4.746 0.604 1.00 0.00 N ATOM 0 H GLN 1 41 6.676 -2.394 3.096 1.00 0.00 H new ATOM 0 HA GLN 1 41 7.788 -1.228 0.729 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 5.467 -3.168 0.888 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 6.642 -2.990 -0.399 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 7.122 -4.135 2.369 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 7.129 -5.006 0.848 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 9.127 -5.608 0.297 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.583 -4.623 0.480 1.00 0.00 H new ATOM 548 N CYS 1 42 4.636 -0.634 1.495 1.00 0.00 N ATOM 549 CA CYS 1 42 3.503 0.238 1.216 1.00 0.00 C ATOM 550 C CYS 1 42 2.478 0.166 2.338 1.00 0.00 C ATOM 551 O CYS 1 42 2.430 -0.809 3.085 1.00 0.00 O ATOM 552 CB CYS 1 42 2.845 -0.150 -0.114 1.00 0.00 C ATOM 553 SG CYS 1 42 1.947 -1.741 -0.076 1.00 0.00 S ATOM 0 H CYS 1 42 4.492 -1.273 2.277 1.00 0.00 H new ATOM 0 HA CYS 1 42 3.873 1.261 1.146 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 2.151 0.638 -0.406 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.614 -0.199 -0.885 1.00 0.00 H new ATOM 558 N ASN 1 43 1.637 1.188 2.429 1.00 0.00 N ATOM 559 CA ASN 1 43 0.589 1.221 3.440 1.00 0.00 C ATOM 560 C ASN 1 43 -0.772 0.995 2.788 1.00 0.00 C ATOM 561 O ASN 1 43 -1.688 0.456 3.407 1.00 0.00 O ATOM 562 CB ASN 1 43 0.596 2.547 4.202 1.00 0.00 C ATOM 563 CG ASN 1 43 -0.340 2.532 5.394 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -1.560 2.597 5.241 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.228 2.445 6.591 1.00 0.00 N ATOM 0 H ASN 1 43 1.660 2.003 1.816 1.00 0.00 H new ATOM 0 HA ASN 1 43 0.782 0.422 4.155 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 1.609 2.763 4.541 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 0.308 3.353 3.527 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -0.351 2.430 7.430 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 1.244 2.393 6.671 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.887 1.399 1.522 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.127 1.226 0.772 1.00 0.00 C ATOM 574 C TYR 1 44 -1.836 0.694 -0.632 1.00 0.00 C ATOM 575 O TYR 1 44 -0.809 1.022 -1.227 1.00 0.00 O ATOM 576 CB TYR 1 44 -2.898 2.553 0.694 1.00 0.00 C ATOM 577 CG TYR 1 44 -2.554 3.406 -0.512 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -3.075 3.110 -1.767 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.712 4.503 -0.394 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -2.764 3.884 -2.868 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -1.397 5.282 -1.490 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.925 4.969 -2.725 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.614 5.743 -3.819 1.00 0.00 O ATOM 0 H TYR 1 44 -0.136 1.847 0.997 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.746 0.497 1.295 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -3.967 2.338 0.679 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -2.701 3.128 1.599 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -3.733 2.262 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -1.296 4.752 0.571 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -3.176 3.641 -3.836 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.740 6.132 -1.380 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.013 6.468 -3.547 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.743 -0.124 -1.157 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.558 -0.678 -2.486 1.00 0.00 C ATOM 595 C GLY 1 45 -3.160 -2.061 -2.631 1.00 0.00 C ATOM 596 O GLY 1 45 -3.460 -2.722 -1.637 1.00 0.00 O ATOM 0 H GLY 1 45 -3.601 -0.413 -0.687 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -3.010 -0.011 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.492 -0.724 -2.711 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.333 -2.502 -3.874 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.899 -3.819 -4.147 1.00 0.00 C ATOM 602 C GLU 1 46 -3.067 -4.909 -3.483 1.00 0.00 C ATOM 603 O GLU 1 46 -3.602 -5.818 -2.847 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.961 -4.064 -5.655 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.263 -3.610 -6.293 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.056 -2.979 -7.656 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.998 -3.230 -8.271 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.951 -2.234 -8.108 1.00 0.00 O ATOM 0 H GLU 1 46 -3.089 -1.967 -4.707 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.908 -3.849 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.131 -3.544 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.824 -5.128 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.933 -4.464 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -5.755 -2.893 -5.636 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.753 -4.803 -3.635 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.831 -5.769 -3.053 1.00 0.00 C ATOM 617 C CYS 1 47 -0.225 -5.218 -1.771 1.00 0.00 C ATOM 618 O CYS 1 47 0.954 -5.425 -1.493 1.00 0.00 O ATOM 619 CB CYS 1 47 0.282 -6.094 -4.049 1.00 0.00 C ATOM 620 SG CYS 1 47 1.127 -7.672 -3.727 1.00 0.00 S ATOM 0 H CYS 1 47 -1.301 -4.054 -4.159 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.384 -6.679 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -0.140 -6.118 -5.054 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.018 -5.290 -4.031 1.00 0.00 H new ATOM 625 N CYS 1 48 -1.035 -4.504 -1.001 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.574 -3.907 0.241 1.00 0.00 C ATOM 627 C CYS 1 48 -1.128 -4.646 1.453 1.00 0.00 C ATOM 628 O CYS 1 48 -2.266 -5.115 1.442 1.00 0.00 O ATOM 629 CB CYS 1 48 -0.993 -2.440 0.289 1.00 0.00 C ATOM 630 SG CYS 1 48 0.265 -1.330 0.986 1.00 0.00 S ATOM 0 H CYS 1 48 -2.016 -4.325 -1.217 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.513 -3.981 0.273 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -1.234 -2.109 -0.721 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -1.905 -2.353 0.879 1.00 0.00 H new ATOM 635 N ASP 1 49 -0.315 -4.738 2.499 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.723 -5.410 3.724 1.00 0.00 C ATOM 637 C ASP 1 49 0.215 -5.064 4.875 1.00 0.00 C ATOM 638 O ASP 1 49 1.369 -5.494 4.907 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.773 -6.926 3.519 1.00 0.00 C ATOM 640 CG ASP 1 49 0.591 -7.523 3.235 1.00 0.00 C ATOM 641 OD1 ASP 1 49 1.432 -6.822 2.637 1.00 0.00 O ATOM 642 OD2 ASP 1 49 0.817 -8.692 3.610 1.00 0.00 O ATOM 0 H ASP 1 49 0.630 -4.355 2.522 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.723 -5.060 3.980 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.192 -7.395 4.409 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -1.445 -7.155 2.692 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.297 -4.282 5.819 1.00 0.00 N ATOM 648 CA GLN 1 50 0.469 -3.863 6.993 1.00 0.00 C ATOM 649 C GLN 1 50 1.893 -3.442 6.630 1.00 0.00 C ATOM 650 O GLN 1 50 2.845 -4.196 6.830 1.00 0.00 O ATOM 651 CB GLN 1 50 0.507 -4.986 8.034 1.00 0.00 C ATOM 652 CG GLN 1 50 0.944 -6.330 7.473 1.00 0.00 C ATOM 653 CD GLN 1 50 1.116 -7.382 8.550 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.462 -8.425 8.526 1.00 0.00 O ATOM 655 NE2 GLN 1 50 2.000 -7.113 9.505 1.00 0.00 N ATOM 0 H GLN 1 50 -1.250 -3.921 5.795 1.00 0.00 H new ATOM 0 HA GLN 1 50 -0.037 -2.994 7.414 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 1.186 -4.701 8.838 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -0.484 -5.092 8.476 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 0.206 -6.674 6.748 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 1.885 -6.207 6.936 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 2.520 -6.236 9.486 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.158 -7.784 10.257 1.00 0.00 H new ATOM 664 N CYS 1 51 2.029 -2.225 6.110 1.00 0.00 N ATOM 665 CA CYS 1 51 3.333 -1.682 5.730 1.00 0.00 C ATOM 666 C CYS 1 51 4.176 -2.700 4.960 1.00 0.00 C ATOM 667 O CYS 1 51 5.405 -2.660 5.014 1.00 0.00 O ATOM 668 CB CYS 1 51 4.094 -1.218 6.975 1.00 0.00 C ATOM 669 SG CYS 1 51 3.141 -0.108 8.063 1.00 0.00 S ATOM 0 H CYS 1 51 1.248 -1.592 5.941 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.152 -0.833 5.071 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.401 -2.094 7.547 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.004 -0.707 6.661 1.00 0.00 H new ATOM 674 N ARG 1 52 3.520 -3.610 4.245 1.00 0.00 N ATOM 675 CA ARG 1 52 4.235 -4.624 3.473 1.00 0.00 C ATOM 676 C ARG 1 52 3.441 -5.042 2.240 1.00 0.00 C ATOM 677 O ARG 1 52 2.313 -4.593 2.035 1.00 0.00 O ATOM 678 CB ARG 1 52 4.524 -5.847 4.345 1.00 0.00 C ATOM 679 CG ARG 1 52 5.860 -6.507 4.042 1.00 0.00 C ATOM 680 CD ARG 1 52 6.672 -6.734 5.308 1.00 0.00 C ATOM 681 NE ARG 1 52 7.347 -5.517 5.751 1.00 0.00 N ATOM 682 CZ ARG 1 52 7.848 -5.349 6.973 1.00 0.00 C ATOM 683 NH1 ARG 1 52 7.752 -6.318 7.875 1.00 0.00 N ATOM 684 NH2 ARG 1 52 8.446 -4.211 7.294 1.00 0.00 N ATOM 0 H ARG 1 52 2.503 -3.667 4.184 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.177 -4.188 3.140 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.505 -5.549 5.393 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 3.727 -6.578 4.207 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 5.690 -7.461 3.542 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.427 -5.882 3.352 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 6.015 -7.093 6.100 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.412 -7.514 5.129 1.00 0.00 H new ATOM 0 HE ARG 1 52 7.440 -4.750 5.085 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.293 -7.196 7.633 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.137 -6.185 8.810 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 8.523 -3.463 6.605 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 8.830 -4.083 8.230 1.00 0.00 H new ATOM 698 N PHE 1 53 4.036 -5.909 1.422 1.00 0.00 N ATOM 699 CA PHE 1 53 3.377 -6.392 0.212 1.00 0.00 C ATOM 700 C PHE 1 53 2.753 -7.757 0.447 1.00 0.00 C ATOM 701 O PHE 1 53 3.355 -8.624 1.080 1.00 0.00 O ATOM 702 CB PHE 1 53 4.368 -6.488 -0.954 1.00 0.00 C ATOM 703 CG PHE 1 53 4.694 -5.168 -1.590 1.00 0.00 C ATOM 704 CD1 PHE 1 53 3.744 -4.164 -1.662 1.00 0.00 C ATOM 705 CD2 PHE 1 53 5.952 -4.934 -2.122 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.038 -2.954 -2.250 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.254 -3.722 -2.712 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.295 -2.729 -2.776 1.00 0.00 C ATOM 0 H PHE 1 53 4.970 -6.290 1.575 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.596 -5.675 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.291 -6.945 -0.596 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 3.956 -7.153 -1.713 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 2.759 -4.332 -1.252 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.704 -5.707 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.286 -2.181 -2.300 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.238 -3.551 -3.123 1.00 0.00 H new ATOM 0 HZ PHE 1 53 5.528 -1.780 -3.236 1.00 0.00 H new ATOM 718 N LYS 1 54 1.551 -7.951 -0.079 1.00 0.00 N ATOM 719 CA LYS 1 54 0.869 -9.226 0.068 1.00 0.00 C ATOM 720 C LYS 1 54 1.654 -10.312 -0.656 1.00 0.00 C ATOM 721 O LYS 1 54 1.698 -10.337 -1.884 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.556 -9.139 -0.480 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.620 -9.099 0.602 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.832 -8.293 0.164 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.967 -8.402 1.169 1.00 0.00 C ATOM 726 NZ LYS 1 54 -5.137 -7.568 0.779 1.00 0.00 N ATOM 0 H LYS 1 54 1.033 -7.248 -0.606 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.809 -9.477 1.127 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.645 -8.246 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.740 -9.996 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.928 -10.115 0.849 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.201 -8.664 1.509 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.550 -7.247 0.044 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.172 -8.645 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -4.276 -9.444 1.255 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.612 -8.092 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.889 -7.670 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.848 -6.570 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -5.492 -7.880 -0.147 1.00 0.00 H new ATOM 740 N LYS 1 55 2.286 -11.195 0.115 1.00 0.00 N ATOM 741 CA LYS 1 55 3.092 -12.282 -0.441 1.00 0.00 C ATOM 742 C LYS 1 55 2.495 -12.821 -1.736 1.00 0.00 C ATOM 743 O LYS 1 55 1.303 -13.134 -1.802 1.00 0.00 O ATOM 744 CB LYS 1 55 3.226 -13.414 0.578 1.00 0.00 C ATOM 745 CG LYS 1 55 4.187 -14.510 0.148 1.00 0.00 C ATOM 746 CD LYS 1 55 5.632 -14.119 0.414 1.00 0.00 C ATOM 747 CE LYS 1 55 5.968 -14.204 1.894 1.00 0.00 C ATOM 748 NZ LYS 1 55 7.432 -14.354 2.123 1.00 0.00 N ATOM 0 H LYS 1 55 2.255 -11.179 1.134 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.078 -11.877 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.563 -12.999 1.528 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.243 -13.852 0.753 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 3.954 -15.431 0.683 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.054 -14.716 -0.914 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 6.297 -14.774 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 5.807 -13.104 0.058 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.612 -13.306 2.399 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.443 -15.050 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 7.620 -14.408 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 7.768 -15.224 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 7.932 -13.535 1.722 1.00 0.00 H new ATOM 762 N ALA 1 56 3.332 -12.921 -2.768 1.00 0.00 N ATOM 763 CA ALA 1 56 2.892 -13.419 -4.060 1.00 0.00 C ATOM 764 C ALA 1 56 1.968 -14.608 -3.886 1.00 0.00 C ATOM 765 O ALA 1 56 2.176 -15.449 -3.011 1.00 0.00 O ATOM 766 CB ALA 1 56 4.074 -13.802 -4.929 1.00 0.00 C ATOM 0 H ALA 1 56 4.318 -12.662 -2.729 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.346 -12.617 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.715 -14.171 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.706 -12.928 -5.089 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.652 -14.582 -4.434 1.00 0.00 H new ATOM 772 N GLY 1 57 0.936 -14.655 -4.700 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.026 -15.731 -4.598 1.00 0.00 C ATOM 774 C GLY 1 57 -1.322 -15.248 -3.985 1.00 0.00 C ATOM 775 O GLY 1 57 -2.349 -15.921 -4.070 1.00 0.00 O ATOM 0 H GLY 1 57 0.742 -13.970 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.220 -16.144 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.388 -16.537 -3.992 1.00 0.00 H new ATOM 779 N THR 1 58 -1.274 -14.063 -3.377 1.00 0.00 N ATOM 780 CA THR 1 58 -2.452 -13.470 -2.769 1.00 0.00 C ATOM 781 C THR 1 58 -3.329 -12.845 -3.850 1.00 0.00 C ATOM 782 O THR 1 58 -2.939 -11.864 -4.483 1.00 0.00 O ATOM 783 CB THR 1 58 -2.046 -12.405 -1.749 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.302 -12.981 -0.690 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.228 -11.686 -1.145 1.00 0.00 C ATOM 0 H THR 1 58 -0.428 -13.499 -3.295 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.013 -14.250 -2.254 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.444 -11.684 -2.302 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.367 -13.085 -0.966 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.875 -10.943 -0.430 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.794 -11.190 -1.934 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.869 -12.405 -0.635 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.503 -13.423 -4.070 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.410 -12.917 -5.092 1.00 0.00 C ATOM 795 C VAL 1 59 -5.983 -11.554 -4.713 1.00 0.00 C ATOM 796 O VAL 1 59 -6.647 -11.413 -3.686 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.578 -13.892 -5.352 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.409 -14.083 -4.091 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.446 -13.397 -6.502 1.00 0.00 C ATOM 0 H VAL 1 59 -4.847 -14.236 -3.559 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.817 -12.817 -6.001 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.160 -14.859 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.227 -14.774 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.780 -14.490 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.816 -13.123 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.263 -14.098 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -7.854 -12.417 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -6.843 -13.321 -7.407 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.730 -10.556 -5.554 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.233 -9.206 -5.308 1.00 0.00 C ATOM 811 C CYS 1 60 -7.373 -8.855 -6.265 1.00 0.00 C ATOM 812 O CYS 1 60 -8.152 -7.938 -6.003 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.115 -8.174 -5.459 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.513 -8.696 -4.776 1.00 0.00 S ATOM 0 H CYS 1 60 -5.182 -10.654 -6.409 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.611 -9.184 -4.286 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.988 -7.946 -6.517 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.421 -7.250 -4.969 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.459 -9.578 -7.378 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.497 -9.327 -8.377 1.00 0.00 C ATOM 821 C ARG 1 61 -8.829 -10.594 -9.163 1.00 0.00 C ATOM 822 O ARG 1 61 -8.276 -11.664 -8.909 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.051 -8.218 -9.340 1.00 0.00 C ATOM 824 CG ARG 1 61 -8.945 -6.986 -9.310 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.070 -6.329 -10.683 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.834 -6.405 -11.468 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.685 -5.839 -11.106 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -6.611 -5.114 -9.997 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.608 -5.987 -11.865 1.00 0.00 N ATOM 0 H ARG 1 61 -6.824 -10.341 -7.612 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.396 -9.007 -7.850 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.031 -7.922 -9.093 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.030 -8.616 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -9.936 -7.267 -8.952 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.542 -6.264 -8.599 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.876 -6.809 -11.237 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.349 -5.283 -10.555 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.856 -6.924 -12.346 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.439 -4.987 -9.415 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -5.726 -4.684 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.661 -6.534 -12.724 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.726 -5.554 -11.589 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.732 -10.454 -10.126 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.146 -11.564 -10.971 1.00 0.00 C ATOM 845 C ILE 1 62 -11.188 -11.097 -11.972 1.00 0.00 C ATOM 846 O ILE 1 62 -12.112 -10.362 -11.626 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.717 -12.737 -10.150 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.202 -13.860 -11.073 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -11.852 -12.257 -9.263 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.105 -14.465 -11.921 1.00 0.00 C ATOM 0 H ILE 1 62 -10.195 -9.571 -10.341 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.258 -11.920 -11.493 1.00 0.00 H new ATOM 0 HB ILE 1 62 -9.921 -13.132 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.657 -14.645 -10.468 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.982 -13.470 -11.727 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.245 -13.096 -8.689 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.482 -11.492 -8.580 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.645 -11.837 -9.882 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.523 -15.253 -12.548 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.666 -13.693 -12.552 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.335 -14.886 -11.274 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.028 -11.520 -13.213 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.955 -11.135 -14.264 1.00 0.00 C ATOM 864 C ALA 1 63 -13.359 -11.678 -13.979 1.00 0.00 C ATOM 865 O ALA 1 63 -14.116 -11.067 -13.224 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.430 -11.574 -15.627 1.00 0.00 C ATOM 0 H ALA 1 63 -10.268 -12.128 -13.518 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.034 -10.048 -14.283 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.137 -11.277 -16.402 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.466 -11.101 -15.815 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.311 -12.657 -15.639 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.708 -12.822 -14.563 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.021 -13.418 -14.336 1.00 0.00 C ATOM 874 C ARG 1 64 -14.933 -14.940 -14.261 1.00 0.00 C ATOM 875 O ARG 1 64 -15.136 -15.629 -15.259 1.00 0.00 O ATOM 876 CB ARG 1 64 -15.989 -13.008 -15.447 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.417 -12.807 -14.967 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.527 -11.615 -14.030 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.490 -11.850 -12.956 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.809 -11.776 -13.115 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -20.327 -11.475 -14.299 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.614 -12.005 -12.086 1.00 0.00 N ATOM 0 H ARG 1 64 -13.104 -13.351 -15.192 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.393 -13.050 -13.380 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.635 -12.084 -15.903 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -15.980 -13.771 -16.225 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -18.073 -12.659 -15.825 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.760 -13.706 -14.455 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.549 -11.401 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.825 -10.734 -14.598 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.130 -12.084 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -19.713 -11.299 -15.094 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -21.339 -11.420 -14.414 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.222 -12.238 -11.174 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -21.625 -11.948 -12.207 1.00 0.00 H new ATOM 896 N GLY 1 65 -14.644 -15.465 -13.078 1.00 0.00 N ATOM 897 CA GLY 1 65 -14.545 -16.903 -12.918 1.00 0.00 C ATOM 898 C GLY 1 65 -13.218 -17.328 -12.332 1.00 0.00 C ATOM 899 O GLY 1 65 -12.982 -17.180 -11.133 1.00 0.00 O ATOM 0 H GLY 1 65 -14.477 -14.924 -12.229 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -15.352 -17.250 -12.273 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -14.682 -17.384 -13.887 1.00 0.00 H new ATOM 903 N ASP 1 66 -12.347 -17.856 -13.184 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.029 -18.302 -12.750 1.00 0.00 C ATOM 905 C ASP 1 66 -10.238 -18.898 -13.909 1.00 0.00 C ATOM 906 O ASP 1 66 -10.323 -20.094 -14.188 1.00 0.00 O ATOM 907 CB ASP 1 66 -11.152 -19.325 -11.619 1.00 0.00 C ATOM 908 CG ASP 1 66 -12.146 -20.425 -11.940 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -13.353 -20.123 -12.041 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.716 -21.588 -12.090 1.00 0.00 O ATOM 0 H ASP 1 66 -12.530 -17.986 -14.179 1.00 0.00 H new ATOM 0 HA ASP 1 66 -10.490 -17.430 -12.381 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.175 -19.767 -11.425 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -11.459 -18.817 -10.705 1.00 0.00 H new ATOM 915 N TRP 1 67 -9.463 -18.049 -14.571 1.00 0.00 N ATOM 916 CA TRP 1 67 -8.638 -18.468 -15.700 1.00 0.00 C ATOM 917 C TRP 1 67 -7.173 -18.184 -15.409 1.00 0.00 C ATOM 918 O TRP 1 67 -6.367 -19.094 -15.217 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.059 -17.726 -16.975 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.078 -16.648 -16.741 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -9.911 -15.479 -16.045 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -11.428 -16.645 -17.205 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.078 -14.764 -16.045 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.022 -15.454 -16.755 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -12.191 -17.537 -17.958 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.343 -15.132 -17.035 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -13.506 -17.218 -18.238 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.071 -16.022 -17.777 1.00 0.00 C ATOM 0 H TRP 1 67 -9.387 -17.057 -14.344 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.777 -19.539 -15.850 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.175 -17.284 -17.435 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -9.463 -18.446 -17.687 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -8.994 -15.168 -15.567 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.221 -13.863 -15.589 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -11.762 -18.461 -18.316 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -13.781 -14.211 -16.680 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.107 -17.901 -18.821 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.101 -15.798 -18.012 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.855 -16.901 -15.372 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.505 -16.435 -15.096 1.00 0.00 C ATOM 941 C ASN 1 68 -5.437 -15.859 -13.693 1.00 0.00 C ATOM 942 O ASN 1 68 -4.404 -15.928 -13.026 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.096 -15.360 -16.101 1.00 0.00 C ATOM 944 CG ASN 1 68 -5.713 -15.572 -17.473 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.004 -15.274 -17.596 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.037 -15.998 -18.410 1.00 0.00 N flip ATOM 0 H ASN 1 68 -7.527 -16.151 -15.533 1.00 0.00 H new ATOM 0 HA ASN 1 68 -4.823 -17.281 -15.181 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.393 -14.382 -15.721 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.010 -15.350 -16.194 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.050 -16.213 -18.270 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -5.464 -16.135 -19.326 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.556 -15.292 -13.255 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.652 -14.701 -11.933 1.00 0.00 C ATOM 955 C ASP 1 69 -5.696 -13.537 -11.764 1.00 0.00 C ATOM 956 O ASP 1 69 -4.818 -13.300 -12.593 1.00 0.00 O ATOM 957 CB ASP 1 69 -6.338 -15.739 -10.868 1.00 0.00 C ATOM 958 CG ASP 1 69 -7.531 -16.612 -10.531 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -7.790 -17.577 -11.280 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -8.206 -16.330 -9.519 1.00 0.00 O ATOM 0 H ASP 1 69 -7.413 -15.231 -13.804 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.673 -14.337 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -5.518 -16.369 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -5.996 -15.234 -9.965 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.863 -12.841 -10.652 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.011 -11.721 -10.310 1.00 0.00 C ATOM 967 C ASP 1 70 -4.282 -12.048 -9.027 1.00 0.00 C ATOM 968 O ASP 1 70 -4.913 -12.321 -8.008 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.834 -10.447 -10.153 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.961 -9.219 -10.018 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.867 -9.335 -9.429 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.370 -8.143 -10.499 1.00 0.00 O ATOM 0 H ASP 1 70 -6.591 -13.038 -9.965 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.290 -11.549 -11.109 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.491 -10.331 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.474 -10.535 -9.275 1.00 0.00 H new ATOM 977 N TYR 1 71 -2.959 -12.077 -9.081 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.192 -12.445 -7.907 1.00 0.00 C ATOM 979 C TYR 1 71 -1.018 -11.535 -7.621 1.00 0.00 C ATOM 980 O TYR 1 71 -0.343 -11.043 -8.524 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.692 -13.867 -8.065 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.767 -14.880 -7.812 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.189 -15.130 -6.523 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.364 -15.574 -8.854 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.177 -16.047 -6.261 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.357 -16.497 -8.611 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.763 -16.735 -7.308 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.754 -17.656 -7.056 1.00 0.00 O ATOM 0 H TYR 1 71 -2.406 -11.855 -9.908 1.00 0.00 H new ATOM 0 HA TYR 1 71 -2.868 -12.348 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.299 -14.002 -9.073 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -0.865 -14.038 -7.375 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.733 -14.594 -5.704 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.046 -15.388 -9.869 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.494 -16.230 -5.245 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -4.816 -17.031 -9.430 1.00 0.00 H new ATOM 0 HH TYR 1 71 -6.059 -18.048 -7.901 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.777 -11.355 -6.332 1.00 0.00 N ATOM 999 CA CYS 1 72 0.324 -10.544 -5.851 1.00 0.00 C ATOM 1000 C CYS 1 72 1.651 -11.111 -6.335 1.00 0.00 C ATOM 1001 O CYS 1 72 1.737 -12.283 -6.705 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.301 -10.519 -4.326 1.00 0.00 C ATOM 1003 SG CYS 1 72 -0.399 -9.000 -3.616 1.00 0.00 S ATOM 0 H CYS 1 72 -1.342 -11.769 -5.591 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.216 -9.531 -6.238 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.275 -11.373 -3.969 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 1.319 -10.644 -3.956 1.00 0.00 H new ATOM 1008 N THR 1 73 2.684 -10.280 -6.322 1.00 0.00 N ATOM 1009 CA THR 1 73 4.008 -10.707 -6.755 1.00 0.00 C ATOM 1010 C THR 1 73 5.045 -10.498 -5.651 1.00 0.00 C ATOM 1011 O THR 1 73 6.224 -10.804 -5.831 1.00 0.00 O ATOM 1012 CB THR 1 73 4.423 -9.945 -8.013 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.843 -8.632 -7.689 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.310 -9.834 -9.032 1.00 0.00 C ATOM 0 H THR 1 73 2.631 -9.308 -6.017 1.00 0.00 H new ATOM 0 HA THR 1 73 3.961 -11.772 -6.980 1.00 0.00 H new ATOM 0 HB THR 1 73 5.239 -10.522 -8.448 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.106 -8.161 -8.507 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.667 -9.283 -9.902 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.996 -10.832 -9.338 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.464 -9.307 -8.591 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.602 -9.975 -4.508 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.508 -9.738 -3.399 1.00 0.00 C ATOM 1024 C GLY 1 74 6.673 -8.843 -3.777 1.00 0.00 C ATOM 1025 O GLY 1 74 7.720 -8.874 -3.131 1.00 0.00 O ATOM 0 H GLY 1 74 3.632 -9.712 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.957 -9.283 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.891 -10.692 -3.037 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.493 -8.047 -4.827 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.544 -7.144 -5.286 1.00 0.00 C ATOM 1031 C LYS 1 75 6.986 -5.764 -5.635 1.00 0.00 C ATOM 1032 O LYS 1 75 7.687 -4.937 -6.218 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.253 -7.738 -6.504 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.691 -9.181 -6.309 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.155 -9.373 -6.665 1.00 0.00 C ATOM 1036 CE LYS 1 75 10.610 -10.800 -6.404 1.00 0.00 C ATOM 1037 NZ LYS 1 75 10.378 -11.207 -4.991 1.00 0.00 N ATOM 0 H LYS 1 75 5.633 -8.009 -5.374 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.257 -7.024 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.587 -7.682 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.127 -7.130 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.526 -9.475 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.077 -9.835 -6.927 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.310 -9.127 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.766 -8.683 -6.082 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.076 -11.479 -7.070 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 11.670 -10.892 -6.639 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 11.186 -11.768 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 10.274 -10.359 -4.398 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.511 -11.779 -4.932 1.00 0.00 H new ATOM 1051 N SER 1 76 5.728 -5.517 -5.278 1.00 0.00 N ATOM 1052 CA SER 1 76 5.097 -4.234 -5.562 1.00 0.00 C ATOM 1053 C SER 1 76 3.695 -4.168 -4.966 1.00 0.00 C ATOM 1054 O SER 1 76 3.160 -5.173 -4.500 1.00 0.00 O ATOM 1055 CB SER 1 76 5.031 -3.999 -7.072 1.00 0.00 C ATOM 1056 OG SER 1 76 4.278 -2.838 -7.376 1.00 0.00 O ATOM 0 H SER 1 76 5.129 -6.186 -4.794 1.00 0.00 H new ATOM 0 HA SER 1 76 5.703 -3.453 -5.103 1.00 0.00 H new ATOM 0 HB2 SER 1 76 6.040 -3.897 -7.471 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.582 -4.865 -7.558 1.00 0.00 H new ATOM 0 HG SER 1 76 4.253 -2.710 -8.347 1.00 0.00 H new ATOM 1062 N SER 1 77 3.105 -2.976 -4.991 1.00 0.00 N ATOM 1063 CA SER 1 77 1.760 -2.770 -4.462 1.00 0.00 C ATOM 1064 C SER 1 77 0.704 -3.014 -5.538 1.00 0.00 C ATOM 1065 O SER 1 77 -0.471 -2.700 -5.347 1.00 0.00 O ATOM 1066 CB SER 1 77 1.617 -1.349 -3.906 1.00 0.00 C ATOM 1067 OG SER 1 77 2.733 -0.548 -4.255 1.00 0.00 O ATOM 0 H SER 1 77 3.539 -2.136 -5.373 1.00 0.00 H new ATOM 0 HA SER 1 77 1.604 -3.487 -3.656 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.705 -0.895 -4.292 1.00 0.00 H new ATOM 0 HB3 SER 1 77 1.519 -1.388 -2.821 1.00 0.00 H new ATOM 0 HG SER 1 77 2.616 0.354 -3.889 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.127 -3.571 -6.669 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.212 -3.847 -7.770 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.036 -5.344 -7.914 1.00 0.00 C ATOM 1076 O ASP 1 78 0.863 -6.158 -7.707 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.771 -3.283 -9.077 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.560 -1.787 -9.198 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 1.165 -1.036 -8.404 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.209 -1.365 -10.088 1.00 0.00 O ATOM 0 H ASP 1 78 2.095 -3.839 -6.846 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.738 -3.362 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.837 -3.503 -9.138 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.294 -3.784 -9.919 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.266 -5.696 -8.270 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.647 -7.092 -8.446 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.134 -7.342 -9.875 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.244 -6.950 -10.233 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.743 -7.460 -7.444 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.351 -8.916 -6.424 1.00 0.00 S ATOM 0 H CYS 1 79 -2.019 -5.030 -8.443 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.773 -7.718 -8.267 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.924 -6.608 -6.789 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.670 -7.647 -7.986 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.309 -7.993 -10.716 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.670 -8.283 -12.110 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.724 -9.383 -12.231 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.575 -10.462 -11.659 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.346 -8.745 -12.723 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.416 -9.316 -11.579 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.040 -8.490 -10.380 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.112 -7.417 -12.603 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.508 -9.489 -13.503 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.190 -7.914 -13.182 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.163 -10.365 -11.426 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.489 -9.271 -11.763 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 0.033 -9.086 -9.468 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.742 -7.671 -10.220 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.787 -9.097 -12.982 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.876 -10.057 -13.185 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.679 -10.903 -14.438 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.324 -11.936 -14.613 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.226 -9.346 -13.247 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.347 -8.303 -14.321 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.359 -7.764 -15.098 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.556 -7.670 -14.721 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -5.891 -6.822 -15.946 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.242 -6.751 -15.732 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.876 -7.799 -14.312 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.211 -5.958 -16.339 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.843 -7.017 -14.912 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.505 -6.103 -15.918 1.00 0.00 C ATOM 0 H TRP 1 81 -3.919 -8.207 -13.462 1.00 0.00 H new ATOM 0 HA TRP 1 81 -4.862 -10.728 -12.326 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -7.006 -10.092 -13.397 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.416 -8.876 -12.282 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.315 -8.038 -15.052 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.366 -6.268 -16.623 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.143 -8.501 -13.536 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -7.951 -5.253 -17.115 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.873 -7.111 -14.602 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.280 -5.502 -16.370 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.787 -10.456 -15.296 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.485 -11.157 -16.540 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.711 -11.216 -17.446 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.997 -12.248 -18.054 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.982 -12.572 -16.245 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.483 -12.619 -16.026 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.725 -13.001 -16.918 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.046 -12.230 -14.834 1.00 0.00 N ATOM 0 H ASN 1 82 -3.249 -9.600 -15.158 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.702 -10.603 -17.058 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.488 -12.957 -15.360 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.246 -13.229 -17.074 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.047 -12.240 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.709 -11.921 -14.124 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.432 -10.103 -17.532 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.628 -10.029 -18.362 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.639 -8.748 -19.190 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.700 -8.426 -19.766 1.00 0.00 O ATOM 1151 CB HIS 1 83 -7.881 -10.098 -17.489 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.827 -11.187 -16.464 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.244 -11.019 -15.161 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.391 -12.464 -16.555 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -8.065 -12.145 -14.496 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -7.550 -13.038 -15.320 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -5.588 -8.076 -19.254 1.00 0.00 O ATOM 0 H HIS 1 83 -5.208 -9.240 -17.037 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.621 -10.879 -19.045 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.018 -9.141 -16.986 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -8.752 -10.251 -18.126 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.630 -10.159 -14.772 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -6.992 -12.943 -17.437 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.300 -12.308 -13.455 1.00 0.00 H new