USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=17 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 :FLIP amide:sc= -0.701 F(o=-5.4,f=-3) USER MOD Set 1.2: 1 83 HIS : no HE2:sc= -2.28 K(o=-3,f=-4.3!) USER MOD Set 2.1: 1 25 GLN : amide:sc= -2.62! C(o=-9.1!,f=-9.6!) USER MOD Set 2.2: 1 30 ASN :FLIP amide:sc= -1.99 F(o=-11,f=-9.1) USER MOD Set 2.3: 1 33 THR OG1 : rot -59:sc= -4.47! USER MOD Set 3.1: 1 23 ASN : amide:sc= -3.65 K(o=-3.7,f=-7.7!) USER MOD Set 3.2: 1 43 ASN : amide:sc= -0.0535 X(o=-3.7,f=-3.7) USER MOD Single : 1 1 SER N :NH3+ -140:sc= 0.236 (180deg=0.00631) USER MOD Single : 1 1 SER OG : rot 180:sc= 0.14 USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : 1 20 SER OG : rot 25:sc= 1.1 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot -170:sc= -2 USER MOD Single : 1 40 SER OG : rot -130:sc= -0.805 USER MOD Single : 1 41 GLN : amide:sc= -3.09! C(o=-3.1!,f=-3.4!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.12) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 78:sc= 0.447 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+ 154:sc= -0.0506 (180deg=-0.362) USER MOD Single : 1 76 SER OG : rot 39:sc= 1.25 USER MOD Single : 1 77 SER OG : rot -49:sc= 0.847! USER MOD Single : 1 82 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -4.867 17.949 20.368 1.00 0.00 N ATOM 2 CA SER 1 1 -4.934 16.788 19.442 1.00 0.00 C ATOM 3 C SER 1 1 -3.683 16.704 18.570 1.00 0.00 C ATOM 4 O SER 1 1 -2.977 17.696 18.387 1.00 0.00 O ATOM 5 CB SER 1 1 -6.179 16.934 18.566 1.00 0.00 C ATOM 6 OG SER 1 1 -6.410 18.291 18.229 1.00 0.00 O ATOM 0 H1 SER 1 1 -5.246 17.675 21.297 1.00 0.00 H new ATOM 0 H2 SER 1 1 -3.878 18.252 20.474 1.00 0.00 H new ATOM 0 H3 SER 1 1 -5.430 18.734 19.982 1.00 0.00 H new ATOM 0 HA SER 1 1 -4.990 15.869 20.025 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -6.058 16.346 17.656 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -7.046 16.534 19.092 1.00 0.00 H new ATOM 0 HG SER 1 1 -7.210 18.357 17.667 1.00 0.00 H new ATOM 14 N PRO 1 2 -3.392 15.514 18.018 1.00 0.00 N ATOM 15 CA PRO 1 2 -2.219 15.307 17.161 1.00 0.00 C ATOM 16 C PRO 1 2 -2.365 16.008 15.808 1.00 0.00 C ATOM 17 O PRO 1 2 -3.404 15.901 15.156 1.00 0.00 O ATOM 18 CB PRO 1 2 -2.178 13.788 16.986 1.00 0.00 C ATOM 19 CG PRO 1 2 -3.587 13.345 17.172 1.00 0.00 C ATOM 20 CD PRO 1 2 -4.183 14.280 18.186 1.00 0.00 C ATOM 0 HA PRO 1 2 -1.309 15.720 17.595 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 -1.804 13.514 16.000 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 -1.517 13.323 17.718 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 -4.137 13.387 16.232 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 -3.629 12.313 17.520 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -5.243 14.453 17.999 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -4.099 13.883 19.198 1.00 0.00 H new ATOM 28 N PRO 1 3 -1.331 16.758 15.376 1.00 0.00 N ATOM 29 CA PRO 1 3 -1.356 17.499 14.117 1.00 0.00 C ATOM 30 C PRO 1 3 -0.902 16.730 12.915 1.00 0.00 C ATOM 31 O PRO 1 3 0.170 16.127 12.874 1.00 0.00 O ATOM 32 CB PRO 1 3 -0.417 18.663 14.403 1.00 0.00 C ATOM 33 CG PRO 1 3 0.606 18.097 15.334 1.00 0.00 C ATOM 34 CD PRO 1 3 -0.062 16.975 16.098 1.00 0.00 C ATOM 0 HA PRO 1 3 -2.375 17.778 13.849 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 0.042 19.037 13.488 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 -0.948 19.499 14.858 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 1.468 17.726 14.780 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 0.972 18.864 16.017 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 0.553 16.075 16.104 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 -0.236 17.249 17.138 1.00 0.00 H new ATOM 42 N VAL 1 4 -1.761 16.808 11.923 1.00 0.00 N ATOM 43 CA VAL 1 4 -1.557 16.197 10.662 1.00 0.00 C ATOM 44 C VAL 1 4 -0.349 16.789 9.964 1.00 0.00 C ATOM 45 O VAL 1 4 -0.440 17.824 9.305 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.799 16.410 9.803 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -3.984 15.645 10.369 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.117 17.894 9.679 1.00 0.00 C ATOM 0 H VAL 1 4 -2.642 17.318 11.990 1.00 0.00 H new ATOM 0 HA VAL 1 4 -1.378 15.132 10.810 1.00 0.00 H new ATOM 0 HB VAL 1 4 -2.595 16.023 8.805 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -4.859 15.812 9.740 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -3.752 14.580 10.393 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -4.193 15.994 11.380 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.006 18.025 9.063 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.297 18.311 10.670 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.275 18.409 9.216 1.00 0.00 H new ATOM 58 N CYS 1 5 0.783 16.126 10.110 1.00 0.00 N ATOM 59 CA CYS 1 5 2.007 16.601 9.480 1.00 0.00 C ATOM 60 C CYS 1 5 1.869 16.477 7.967 1.00 0.00 C ATOM 61 O CYS 1 5 2.070 15.405 7.397 1.00 0.00 O ATOM 62 CB CYS 1 5 3.235 15.801 9.949 1.00 0.00 C ATOM 63 SG CYS 1 5 3.131 15.123 11.642 1.00 0.00 S ATOM 0 H CYS 1 5 0.884 15.267 10.651 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.156 17.642 9.766 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 3.396 14.976 9.255 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.112 16.445 9.887 1.00 0.00 H new ATOM 68 N GLY 1 6 1.506 17.585 7.327 1.00 0.00 N ATOM 69 CA GLY 1 6 1.323 17.591 5.888 1.00 0.00 C ATOM 70 C GLY 1 6 -0.102 17.242 5.485 1.00 0.00 C ATOM 71 O GLY 1 6 -0.350 16.857 4.343 1.00 0.00 O ATOM 0 H GLY 1 6 1.335 18.482 7.782 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 1.578 18.575 5.496 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.011 16.879 5.434 1.00 0.00 H new ATOM 75 N ASN 1 7 -1.038 17.375 6.427 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.444 17.066 6.165 1.00 0.00 C ATOM 77 C ASN 1 7 -2.617 15.595 5.821 1.00 0.00 C ATOM 78 O ASN 1 7 -1.892 15.065 4.979 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.980 17.925 5.016 1.00 0.00 C ATOM 80 CG ASN 1 7 -3.623 19.209 5.503 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.975 20.037 6.143 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -4.905 19.380 5.201 1.00 0.00 N ATOM 0 H ASN 1 7 -0.848 17.694 7.377 1.00 0.00 H new ATOM 0 HA ASN 1 7 -3.009 17.288 7.071 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -2.163 18.167 4.336 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.710 17.350 4.446 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -5.392 20.224 5.502 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -5.403 18.667 4.668 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.584 14.933 6.466 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.847 13.516 6.203 1.00 0.00 C ATOM 91 C LYS 1 8 -3.777 13.252 4.708 1.00 0.00 C ATOM 92 O LYS 1 8 -4.726 13.546 3.979 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.222 13.116 6.743 1.00 0.00 C ATOM 94 CG LYS 1 8 -5.284 11.682 7.244 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.368 10.690 6.093 1.00 0.00 C ATOM 96 CE LYS 1 8 -6.780 10.153 5.922 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.787 8.784 5.337 1.00 0.00 N ATOM 0 H LYS 1 8 -4.193 15.353 7.169 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.090 12.918 6.711 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.494 13.789 7.557 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.965 13.250 5.957 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.401 11.468 7.846 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.150 11.560 7.894 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.047 11.174 5.170 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -4.682 9.862 6.274 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -7.282 10.137 6.890 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -7.349 10.825 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.768 8.454 5.237 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.331 8.803 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -6.266 8.136 5.963 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.636 12.739 4.242 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.461 12.497 2.807 1.00 0.00 C ATOM 113 C ILE 1 9 -3.714 11.905 2.186 1.00 0.00 C ATOM 114 O ILE 1 9 -4.389 11.067 2.783 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.229 11.620 2.446 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.257 10.232 3.101 1.00 0.00 C ATOM 117 CG2 ILE 1 9 0.050 12.346 2.814 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.386 9.344 2.623 1.00 0.00 C ATOM 0 H ILE 1 9 -1.835 12.488 4.822 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.271 13.484 2.384 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.268 11.454 1.369 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.308 9.731 2.906 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.338 10.354 4.181 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.908 11.724 2.558 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 0.106 13.286 2.265 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.057 12.551 3.885 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.334 8.383 3.134 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.341 9.821 2.842 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.296 9.189 1.548 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.028 12.368 0.988 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.206 11.904 0.280 1.00 0.00 C ATOM 132 C LEU 1 10 -4.821 11.025 -0.901 1.00 0.00 C ATOM 133 O LEU 1 10 -5.656 10.686 -1.739 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.046 13.100 -0.182 1.00 0.00 C ATOM 135 CG LEU 1 10 -5.280 14.224 -0.895 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.605 15.140 0.116 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.258 13.664 -1.876 1.00 0.00 C ATOM 0 H LEU 1 10 -3.481 13.067 0.485 1.00 0.00 H new ATOM 0 HA LEU 1 10 -5.804 11.300 0.962 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.824 12.735 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.548 13.524 0.688 1.00 0.00 H new ATOM 0 HG LEU 1 10 -6.003 14.809 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.068 15.929 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -5.360 15.585 0.765 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.903 14.563 0.718 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.733 14.486 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.541 13.043 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.768 13.062 -2.628 1.00 0.00 H new ATOM 149 N GLU 1 11 -3.547 10.660 -0.951 1.00 0.00 N ATOM 150 CA GLU 1 11 -3.026 9.818 -2.021 1.00 0.00 C ATOM 151 C GLU 1 11 -1.525 9.580 -1.868 1.00 0.00 C ATOM 152 O GLU 1 11 -0.779 9.655 -2.846 1.00 0.00 O ATOM 153 CB GLU 1 11 -3.304 10.460 -3.383 1.00 0.00 C ATOM 154 CG GLU 1 11 -2.533 11.750 -3.617 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.266 12.709 -4.534 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -4.492 12.545 -4.707 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -2.614 13.625 -5.079 1.00 0.00 O ATOM 0 H GLU 1 11 -2.851 10.936 -0.258 1.00 0.00 H new ATOM 0 HA GLU 1 11 -3.534 8.856 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -3.052 9.748 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -4.371 10.664 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -2.349 12.238 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -1.560 11.514 -4.047 1.00 0.00 H new ATOM 164 N GLN 1 12 -1.076 9.289 -0.649 1.00 0.00 N ATOM 165 CA GLN 1 12 0.344 9.043 -0.419 1.00 0.00 C ATOM 166 C GLN 1 12 0.643 8.658 1.030 1.00 0.00 C ATOM 167 O GLN 1 12 1.543 9.219 1.654 1.00 0.00 O ATOM 168 CB GLN 1 12 1.170 10.274 -0.813 1.00 0.00 C ATOM 169 CG GLN 1 12 0.560 11.597 -0.383 1.00 0.00 C ATOM 170 CD GLN 1 12 0.936 12.738 -1.308 1.00 0.00 C ATOM 171 OE1 GLN 1 12 2.083 12.851 -1.739 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.032 13.593 -1.617 1.00 0.00 N ATOM 0 H GLN 1 12 -1.664 9.219 0.181 1.00 0.00 H new ATOM 0 HA GLN 1 12 0.625 8.197 -1.046 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 2.164 10.186 -0.375 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 1.298 10.280 -1.895 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.525 11.500 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.887 11.832 0.630 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -0.969 13.461 -1.237 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 0.162 14.381 -2.234 1.00 0.00 H new ATOM 181 N GLY 1 13 -0.098 7.685 1.558 1.00 0.00 N ATOM 182 CA GLY 1 13 0.133 7.237 2.927 1.00 0.00 C ATOM 183 C GLY 1 13 1.578 6.832 3.143 1.00 0.00 C ATOM 184 O GLY 1 13 2.109 6.926 4.249 1.00 0.00 O ATOM 0 H GLY 1 13 -0.850 7.200 1.068 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.130 8.035 3.621 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -0.520 6.393 3.150 1.00 0.00 H new ATOM 188 N GLU 1 14 2.207 6.395 2.062 1.00 0.00 N ATOM 189 CA GLU 1 14 3.604 5.978 2.070 1.00 0.00 C ATOM 190 C GLU 1 14 4.338 6.664 0.931 1.00 0.00 C ATOM 191 O GLU 1 14 5.513 7.013 1.039 1.00 0.00 O ATOM 192 CB GLU 1 14 3.705 4.460 1.899 1.00 0.00 C ATOM 193 CG GLU 1 14 3.258 3.966 0.529 1.00 0.00 C ATOM 194 CD GLU 1 14 1.759 4.074 0.329 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.024 4.069 1.337 1.00 0.00 O ATOM 196 OE2 GLU 1 14 1.321 4.162 -0.838 1.00 0.00 O ATOM 0 H GLU 1 14 1.761 6.319 1.148 1.00 0.00 H new ATOM 0 HA GLU 1 14 4.053 6.257 3.023 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 4.737 4.152 2.067 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.099 3.976 2.665 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 3.766 4.542 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.563 2.927 0.404 1.00 0.00 H new ATOM 203 N ASP 1 15 3.609 6.863 -0.159 1.00 0.00 N ATOM 204 CA ASP 1 15 4.142 7.513 -1.346 1.00 0.00 C ATOM 205 C ASP 1 15 4.915 8.766 -0.963 1.00 0.00 C ATOM 206 O ASP 1 15 5.894 9.136 -1.611 1.00 0.00 O ATOM 207 CB ASP 1 15 2.989 7.861 -2.283 1.00 0.00 C ATOM 208 CG ASP 1 15 3.464 8.407 -3.615 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.464 7.883 -4.150 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.836 9.360 -4.124 1.00 0.00 O ATOM 0 H ASP 1 15 2.633 6.578 -0.244 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.829 6.836 -1.854 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 2.384 6.971 -2.455 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 2.344 8.597 -1.802 1.00 0.00 H new ATOM 215 N CYS 1 16 4.462 9.399 0.112 1.00 0.00 N ATOM 216 CA CYS 1 16 5.080 10.607 0.638 1.00 0.00 C ATOM 217 C CYS 1 16 4.107 11.306 1.571 1.00 0.00 C ATOM 218 O CYS 1 16 2.965 11.573 1.205 1.00 0.00 O ATOM 219 CB CYS 1 16 5.517 11.548 -0.492 1.00 0.00 C ATOM 220 SG CYS 1 16 5.477 13.327 -0.065 1.00 0.00 S ATOM 0 H CYS 1 16 3.651 9.086 0.645 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.976 10.327 1.193 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.530 11.284 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.873 11.381 -1.355 1.00 0.00 H new ATOM 225 N ASP 1 17 4.562 11.580 2.782 1.00 0.00 N ATOM 226 CA ASP 1 17 3.734 12.230 3.783 1.00 0.00 C ATOM 227 C ASP 1 17 2.666 11.268 4.273 1.00 0.00 C ATOM 228 O ASP 1 17 2.510 10.172 3.735 1.00 0.00 O ATOM 229 CB ASP 1 17 3.083 13.501 3.226 1.00 0.00 C ATOM 230 CG ASP 1 17 4.103 14.505 2.724 1.00 0.00 C ATOM 231 OD1 ASP 1 17 5.117 14.719 3.421 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.886 15.079 1.637 1.00 0.00 O ATOM 0 H ASP 1 17 5.507 11.360 3.097 1.00 0.00 H new ATOM 0 HA ASP 1 17 4.372 12.518 4.618 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.410 13.233 2.411 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 2.474 13.964 4.003 1.00 0.00 H new ATOM 237 N CYS 1 18 1.933 11.680 5.289 1.00 0.00 N ATOM 238 CA CYS 1 18 0.877 10.852 5.847 1.00 0.00 C ATOM 239 C CYS 1 18 -0.241 11.722 6.387 1.00 0.00 C ATOM 240 O CYS 1 18 -1.421 11.435 6.181 1.00 0.00 O ATOM 241 CB CYS 1 18 1.429 9.955 6.959 1.00 0.00 C ATOM 242 SG CYS 1 18 1.123 8.178 6.694 1.00 0.00 S ATOM 0 H CYS 1 18 2.048 12.584 5.747 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.480 10.218 5.054 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.503 10.120 7.046 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 0.983 10.253 7.908 1.00 0.00 H new ATOM 247 N GLY 1 19 0.136 12.783 7.088 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.848 13.674 7.657 1.00 0.00 C ATOM 249 C GLY 1 19 -1.532 13.074 8.862 1.00 0.00 C ATOM 250 O GLY 1 19 -2.139 13.789 9.649 1.00 0.00 O ATOM 0 H GLY 1 19 1.106 13.040 7.271 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 -0.367 14.609 7.943 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.595 13.918 6.901 1.00 0.00 H new ATOM 254 N SER 1 20 -1.427 11.760 9.028 1.00 0.00 N ATOM 255 CA SER 1 20 -2.027 11.115 10.174 1.00 0.00 C ATOM 256 C SER 1 20 -0.964 10.887 11.240 1.00 0.00 C ATOM 257 O SER 1 20 -0.287 9.860 11.253 1.00 0.00 O ATOM 258 CB SER 1 20 -2.689 9.804 9.778 1.00 0.00 C ATOM 259 OG SER 1 20 -1.727 8.809 9.476 1.00 0.00 O ATOM 0 H SER 1 20 -0.937 11.134 8.389 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.804 11.763 10.579 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.329 9.458 10.590 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.331 9.966 8.912 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.888 9.013 9.940 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.794 11.869 12.136 1.00 0.00 N ATOM 266 CA PRO 1 21 0.193 11.834 13.208 1.00 0.00 C ATOM 267 C PRO 1 21 0.365 10.453 13.826 1.00 0.00 C ATOM 268 O PRO 1 21 1.450 10.110 14.298 1.00 0.00 O ATOM 269 CB PRO 1 21 -0.350 12.834 14.237 1.00 0.00 C ATOM 270 CG PRO 1 21 -1.577 13.444 13.623 1.00 0.00 C ATOM 271 CD PRO 1 21 -1.531 13.126 12.158 1.00 0.00 C ATOM 0 HA PRO 1 21 1.187 12.084 12.839 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 -0.592 12.334 15.175 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 0.392 13.599 14.465 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -2.480 13.038 14.079 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -1.595 14.522 13.784 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -2.529 13.020 11.733 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -1.024 13.905 11.589 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.693 9.651 13.808 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.623 8.302 14.354 1.00 0.00 C ATOM 281 C ALA 1 22 0.575 7.552 13.772 1.00 0.00 C ATOM 282 O ALA 1 22 1.090 6.614 14.380 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.913 7.547 14.070 1.00 0.00 C ATOM 0 H ALA 1 22 -1.602 9.909 13.425 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.494 8.372 15.434 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.845 6.541 14.484 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.751 8.072 14.529 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.069 7.486 12.993 1.00 0.00 H new ATOM 289 N ASN 1 23 1.009 7.978 12.586 1.00 0.00 N ATOM 290 CA ASN 1 23 2.143 7.357 11.913 1.00 0.00 C ATOM 291 C ASN 1 23 3.204 8.392 11.514 1.00 0.00 C ATOM 292 O ASN 1 23 4.259 8.032 10.993 1.00 0.00 O ATOM 293 CB ASN 1 23 1.658 6.608 10.673 1.00 0.00 C ATOM 294 CG ASN 1 23 0.691 5.491 11.013 1.00 0.00 C ATOM 295 OD1 ASN 1 23 0.317 5.309 12.171 1.00 0.00 O ATOM 296 ND2 ASN 1 23 0.279 4.736 10.001 1.00 0.00 N ATOM 0 H ASN 1 23 0.589 8.753 12.073 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.606 6.659 12.611 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.174 7.310 9.994 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 2.516 6.193 10.144 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -0.373 3.970 10.169 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 0.615 4.922 9.056 1.00 0.00 H new ATOM 303 N CYS 1 24 2.922 9.673 11.760 1.00 0.00 N ATOM 304 CA CYS 1 24 3.857 10.749 11.423 1.00 0.00 C ATOM 305 C CYS 1 24 5.228 10.494 12.042 1.00 0.00 C ATOM 306 O CYS 1 24 5.495 10.896 13.174 1.00 0.00 O ATOM 307 CB CYS 1 24 3.302 12.097 11.900 1.00 0.00 C ATOM 308 SG CYS 1 24 4.397 13.529 11.613 1.00 0.00 S ATOM 0 H CYS 1 24 2.054 9.991 12.191 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.973 10.775 10.340 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.352 12.279 11.398 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.091 12.029 12.967 1.00 0.00 H new ATOM 313 N GLN 1 25 6.093 9.818 11.290 1.00 0.00 N ATOM 314 CA GLN 1 25 7.437 9.502 11.761 1.00 0.00 C ATOM 315 C GLN 1 25 7.387 8.549 12.952 1.00 0.00 C ATOM 316 O GLN 1 25 7.729 8.925 14.073 1.00 0.00 O ATOM 317 CB GLN 1 25 8.183 10.782 12.149 1.00 0.00 C ATOM 318 CG GLN 1 25 8.194 11.839 11.057 1.00 0.00 C ATOM 319 CD GLN 1 25 9.547 12.507 10.907 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.712 13.682 11.236 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.524 11.759 10.409 1.00 0.00 N ATOM 0 H GLN 1 25 5.886 9.478 10.351 1.00 0.00 H new ATOM 0 HA GLN 1 25 7.972 9.012 10.947 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.724 11.202 13.044 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.211 10.528 12.407 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.912 11.380 10.109 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.442 12.596 11.281 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.342 10.789 10.150 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.456 12.154 10.286 1.00 0.00 H new ATOM 330 N ASP 1 26 6.959 7.313 12.705 1.00 0.00 N ATOM 331 CA ASP 1 26 6.870 6.317 13.767 1.00 0.00 C ATOM 332 C ASP 1 26 6.405 4.964 13.232 1.00 0.00 C ATOM 333 O ASP 1 26 7.169 3.999 13.214 1.00 0.00 O ATOM 334 CB ASP 1 26 5.915 6.796 14.863 1.00 0.00 C ATOM 335 CG ASP 1 26 6.400 6.429 16.252 1.00 0.00 C ATOM 336 OD1 ASP 1 26 7.587 6.678 16.552 1.00 0.00 O ATOM 337 OD2 ASP 1 26 5.592 5.894 17.041 1.00 0.00 O ATOM 0 H ASP 1 26 6.670 6.980 11.785 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.869 6.190 14.184 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 5.801 7.878 14.795 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 4.929 6.361 14.698 1.00 0.00 H new ATOM 342 N ARG 1 27 5.146 4.896 12.811 1.00 0.00 N ATOM 343 CA ARG 1 27 4.580 3.654 12.294 1.00 0.00 C ATOM 344 C ARG 1 27 5.355 3.144 11.079 1.00 0.00 C ATOM 345 O ARG 1 27 6.283 2.348 11.221 1.00 0.00 O ATOM 346 CB ARG 1 27 3.100 3.843 11.947 1.00 0.00 C ATOM 347 CG ARG 1 27 2.435 2.588 11.404 1.00 0.00 C ATOM 348 CD ARG 1 27 1.581 1.906 12.462 1.00 0.00 C ATOM 349 NE ARG 1 27 1.559 0.455 12.296 1.00 0.00 N ATOM 350 CZ ARG 1 27 0.988 -0.381 13.160 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.392 0.085 14.251 1.00 0.00 N ATOM 352 NH2 ARG 1 27 1.013 -1.687 12.934 1.00 0.00 N ATOM 0 H ARG 1 27 4.499 5.685 12.817 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.664 2.901 13.078 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 2.566 4.170 12.839 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 3.008 4.641 11.210 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.815 2.846 10.546 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 3.198 1.895 11.049 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.965 2.152 13.452 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.563 2.292 12.410 1.00 0.00 H new ATOM 0 HE ARG 1 27 2.007 0.059 11.470 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.370 1.089 14.431 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -0.044 -0.561 14.909 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 1.470 -2.051 12.098 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 0.575 -2.328 13.596 1.00 0.00 H new ATOM 366 N CYS 1 28 4.970 3.590 9.884 1.00 0.00 N ATOM 367 CA CYS 1 28 5.637 3.152 8.663 1.00 0.00 C ATOM 368 C CYS 1 28 5.561 4.211 7.565 1.00 0.00 C ATOM 369 O CYS 1 28 5.740 3.902 6.387 1.00 0.00 O ATOM 370 CB CYS 1 28 5.008 1.851 8.164 1.00 0.00 C ATOM 371 SG CYS 1 28 5.267 0.425 9.267 1.00 0.00 S ATOM 0 H CYS 1 28 4.206 4.249 9.738 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.688 2.989 8.901 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 3.937 2.005 8.033 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.418 1.616 7.182 1.00 0.00 H new ATOM 376 N CYS 1 29 5.297 5.457 7.946 1.00 0.00 N ATOM 377 CA CYS 1 29 5.203 6.537 6.969 1.00 0.00 C ATOM 378 C CYS 1 29 5.693 7.857 7.538 1.00 0.00 C ATOM 379 O CYS 1 29 5.427 8.193 8.692 1.00 0.00 O ATOM 380 CB CYS 1 29 3.762 6.687 6.477 1.00 0.00 C ATOM 381 SG CYS 1 29 2.598 7.270 7.751 1.00 0.00 S ATOM 0 H CYS 1 29 5.146 5.742 8.914 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.847 6.273 6.130 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.746 7.384 5.639 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.417 5.725 6.098 1.00 0.00 H new ATOM 386 N ASN 1 30 6.403 8.605 6.705 1.00 0.00 N ATOM 387 CA ASN 1 30 6.929 9.899 7.098 1.00 0.00 C ATOM 388 C ASN 1 30 5.999 11.005 6.667 1.00 0.00 C ATOM 389 O ASN 1 30 6.008 11.431 5.510 1.00 0.00 O ATOM 390 CB ASN 1 30 8.303 10.132 6.493 1.00 0.00 C ATOM 391 CG ASN 1 30 9.383 9.332 7.190 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.432 9.437 8.513 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.163 8.627 6.550 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.627 8.333 5.748 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.014 9.905 8.185 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.282 9.865 5.436 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.547 11.193 6.549 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.088 8.576 5.534 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.884 8.093 7.036 1.00 0.00 H new ATOM 400 N ALA 1 31 5.228 11.484 7.623 1.00 0.00 N ATOM 401 CA ALA 1 31 4.305 12.576 7.386 1.00 0.00 C ATOM 402 C ALA 1 31 5.077 13.882 7.432 1.00 0.00 C ATOM 403 O ALA 1 31 4.664 14.894 6.866 1.00 0.00 O ATOM 404 CB ALA 1 31 3.182 12.564 8.418 1.00 0.00 C ATOM 0 H ALA 1 31 5.223 11.130 8.580 1.00 0.00 H new ATOM 0 HA ALA 1 31 3.844 12.464 6.405 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.500 13.391 8.223 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.638 11.622 8.353 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.605 12.670 9.417 1.00 0.00 H new ATOM 410 N ALA 1 32 6.219 13.833 8.114 1.00 0.00 N ATOM 411 CA ALA 1 32 7.092 14.986 8.250 1.00 0.00 C ATOM 412 C ALA 1 32 8.309 14.877 7.334 1.00 0.00 C ATOM 413 O ALA 1 32 9.150 15.775 7.303 1.00 0.00 O ATOM 414 CB ALA 1 32 7.540 15.124 9.695 1.00 0.00 C ATOM 0 H ALA 1 32 6.560 12.995 8.584 1.00 0.00 H new ATOM 0 HA ALA 1 32 6.530 15.872 7.955 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 8.195 15.990 9.792 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.668 15.255 10.335 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.080 14.226 9.996 1.00 0.00 H new ATOM 420 N THR 1 33 8.422 13.761 6.611 1.00 0.00 N ATOM 421 CA THR 1 33 9.568 13.547 5.733 1.00 0.00 C ATOM 422 C THR 1 33 9.160 13.255 4.285 1.00 0.00 C ATOM 423 O THR 1 33 10.018 13.126 3.412 1.00 0.00 O ATOM 424 CB THR 1 33 10.442 12.424 6.295 1.00 0.00 C ATOM 425 OG1 THR 1 33 9.946 11.982 7.549 1.00 0.00 O ATOM 426 CG2 THR 1 33 11.868 12.842 6.517 1.00 0.00 C ATOM 0 H THR 1 33 7.741 13.001 6.617 1.00 0.00 H new ATOM 0 HA THR 1 33 10.140 14.474 5.704 1.00 0.00 H new ATOM 0 HB THR 1 33 10.410 11.633 5.546 1.00 0.00 H new ATOM 0 HG1 THR 1 33 9.932 12.733 8.178 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.436 12.001 6.916 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.306 13.159 5.570 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.898 13.670 7.226 1.00 0.00 H new ATOM 434 N CYS 1 34 7.858 13.185 4.026 1.00 0.00 N ATOM 435 CA CYS 1 34 7.357 12.950 2.671 1.00 0.00 C ATOM 436 C CYS 1 34 7.811 11.599 2.099 1.00 0.00 C ATOM 437 O CYS 1 34 8.188 11.514 0.932 1.00 0.00 O ATOM 438 CB CYS 1 34 7.812 14.096 1.752 1.00 0.00 C ATOM 439 SG CYS 1 34 7.430 13.881 -0.025 1.00 0.00 S ATOM 0 H CYS 1 34 7.130 13.287 4.733 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.269 12.920 2.723 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.348 15.020 2.096 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.889 14.220 1.862 1.00 0.00 H new ATOM 444 N LYS 1 35 7.766 10.531 2.898 1.00 0.00 N ATOM 445 CA LYS 1 35 8.170 9.218 2.381 1.00 0.00 C ATOM 446 C LYS 1 35 8.038 8.110 3.418 1.00 0.00 C ATOM 447 O LYS 1 35 8.389 8.284 4.579 1.00 0.00 O ATOM 448 CB LYS 1 35 9.610 9.270 1.872 1.00 0.00 C ATOM 449 CG LYS 1 35 9.717 9.299 0.356 1.00 0.00 C ATOM 450 CD LYS 1 35 10.086 7.934 -0.201 1.00 0.00 C ATOM 451 CE LYS 1 35 11.586 7.802 -0.413 1.00 0.00 C ATOM 452 NZ LYS 1 35 12.147 6.626 0.306 1.00 0.00 N ATOM 0 H LYS 1 35 7.465 10.543 3.873 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.491 8.983 1.562 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 10.099 10.155 2.280 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 10.152 8.403 2.250 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.768 9.623 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.468 10.031 0.057 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 9.745 7.157 0.483 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.569 7.775 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.795 7.710 -1.479 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 12.083 8.709 -0.068 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 13.172 6.571 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.970 6.726 1.326 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 11.692 5.758 -0.041 1.00 0.00 H new ATOM 466 N LEU 1 36 7.560 6.948 2.983 1.00 0.00 N ATOM 467 CA LEU 1 36 7.421 5.813 3.891 1.00 0.00 C ATOM 468 C LEU 1 36 8.744 5.549 4.611 1.00 0.00 C ATOM 469 O LEU 1 36 9.818 5.748 4.045 1.00 0.00 O ATOM 470 CB LEU 1 36 6.948 4.546 3.159 1.00 0.00 C ATOM 471 CG LEU 1 36 7.131 4.521 1.637 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.542 4.932 1.241 1.00 0.00 C ATOM 473 CD2 LEU 1 36 6.800 3.138 1.095 1.00 0.00 C ATOM 0 H LEU 1 36 7.266 6.768 2.023 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.657 6.070 4.625 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.479 3.692 3.580 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.890 4.402 3.377 1.00 0.00 H new ATOM 0 HG LEU 1 36 6.444 5.245 1.199 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.638 4.904 0.156 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.740 5.943 1.596 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 9.260 4.244 1.687 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 6.933 3.130 0.013 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 7.464 2.401 1.548 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 5.766 2.891 1.335 1.00 0.00 H new ATOM 485 N THR 1 37 8.665 5.126 5.868 1.00 0.00 N ATOM 486 CA THR 1 37 9.867 4.866 6.656 1.00 0.00 C ATOM 487 C THR 1 37 10.480 3.508 6.317 1.00 0.00 C ATOM 488 O THR 1 37 9.784 2.590 5.884 1.00 0.00 O ATOM 489 CB THR 1 37 9.553 4.943 8.150 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.260 4.430 8.420 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.617 6.354 8.699 1.00 0.00 C ATOM 0 H THR 1 37 7.789 4.956 6.361 1.00 0.00 H new ATOM 0 HA THR 1 37 10.597 5.635 6.404 1.00 0.00 H new ATOM 0 HB THR 1 37 10.321 4.344 8.640 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.015 4.631 9.348 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.384 6.341 9.764 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.619 6.757 8.551 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.894 6.981 8.177 1.00 0.00 H new ATOM 499 N PRO 1 38 11.805 3.370 6.512 1.00 0.00 N ATOM 500 CA PRO 1 38 12.526 2.124 6.228 1.00 0.00 C ATOM 501 C PRO 1 38 11.851 0.905 6.844 1.00 0.00 C ATOM 502 O PRO 1 38 11.241 0.990 7.910 1.00 0.00 O ATOM 503 CB PRO 1 38 13.896 2.356 6.867 1.00 0.00 C ATOM 504 CG PRO 1 38 14.077 3.833 6.842 1.00 0.00 C ATOM 505 CD PRO 1 38 12.704 4.422 7.026 1.00 0.00 C ATOM 0 HA PRO 1 38 12.567 1.913 5.159 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.929 1.970 7.886 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.684 1.851 6.309 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.750 4.157 7.636 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.517 4.156 5.899 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.501 4.647 8.073 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.590 5.354 6.472 1.00 0.00 H new ATOM 513 N GLY 1 39 11.961 -0.229 6.160 1.00 0.00 N ATOM 514 CA GLY 1 39 11.353 -1.452 6.648 1.00 0.00 C ATOM 515 C GLY 1 39 9.926 -1.625 6.163 1.00 0.00 C ATOM 516 O GLY 1 39 9.366 -2.719 6.244 1.00 0.00 O ATOM 0 H GLY 1 39 12.461 -0.322 5.276 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.949 -2.305 6.324 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.365 -1.450 7.738 1.00 0.00 H new ATOM 520 N SER 1 40 9.336 -0.545 5.660 1.00 0.00 N ATOM 521 CA SER 1 40 7.968 -0.584 5.162 1.00 0.00 C ATOM 522 C SER 1 40 7.938 -0.419 3.647 1.00 0.00 C ATOM 523 O SER 1 40 8.345 0.614 3.117 1.00 0.00 O ATOM 524 CB SER 1 40 7.136 0.517 5.821 1.00 0.00 C ATOM 525 OG SER 1 40 5.848 0.602 5.236 1.00 0.00 O ATOM 0 H SER 1 40 9.785 0.368 5.587 1.00 0.00 H new ATOM 0 HA SER 1 40 7.541 -1.555 5.413 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.042 0.316 6.888 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.648 1.474 5.721 1.00 0.00 H new ATOM 0 HG SER 1 40 5.657 1.534 5.000 1.00 0.00 H new ATOM 531 N GLN 1 41 7.449 -1.442 2.955 1.00 0.00 N ATOM 532 CA GLN 1 41 7.364 -1.406 1.501 1.00 0.00 C ATOM 533 C GLN 1 41 6.250 -0.467 1.052 1.00 0.00 C ATOM 534 O GLN 1 41 6.331 0.147 -0.012 1.00 0.00 O ATOM 535 CB GLN 1 41 7.117 -2.811 0.947 1.00 0.00 C ATOM 536 CG GLN 1 41 8.329 -3.724 1.043 1.00 0.00 C ATOM 537 CD GLN 1 41 8.436 -4.676 -0.132 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.965 -4.323 -1.186 1.00 0.00 O ATOM 539 NE2 GLN 1 41 7.931 -5.892 0.044 1.00 0.00 N ATOM 0 H GLN 1 41 7.106 -2.305 3.377 1.00 0.00 H new ATOM 0 HA GLN 1 41 8.312 -1.034 1.113 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 6.287 -3.265 1.488 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 6.813 -2.733 -0.097 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 9.233 -3.117 1.098 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 8.274 -4.299 1.968 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 7.501 -6.142 0.935 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 7.973 -6.576 -0.712 1.00 0.00 H new ATOM 548 N CYS 1 42 5.211 -0.359 1.874 1.00 0.00 N ATOM 549 CA CYS 1 42 4.080 0.506 1.567 1.00 0.00 C ATOM 550 C CYS 1 42 3.168 0.660 2.776 1.00 0.00 C ATOM 551 O CYS 1 42 3.191 -0.157 3.696 1.00 0.00 O ATOM 552 CB CYS 1 42 3.283 -0.054 0.386 1.00 0.00 C ATOM 553 SG CYS 1 42 2.438 -1.634 0.730 1.00 0.00 S ATOM 0 H CYS 1 42 5.130 -0.861 2.758 1.00 0.00 H new ATOM 0 HA CYS 1 42 4.472 1.487 1.300 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 2.540 0.683 0.083 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.958 -0.193 -0.459 1.00 0.00 H new ATOM 558 N ASN 1 43 2.348 1.702 2.753 1.00 0.00 N ATOM 559 CA ASN 1 43 1.404 1.956 3.828 1.00 0.00 C ATOM 560 C ASN 1 43 -0.014 1.684 3.341 1.00 0.00 C ATOM 561 O ASN 1 43 -0.877 1.259 4.109 1.00 0.00 O ATOM 562 CB ASN 1 43 1.520 3.397 4.330 1.00 0.00 C ATOM 563 CG ASN 1 43 0.723 3.634 5.598 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.242 3.497 6.706 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -0.546 3.991 5.441 1.00 0.00 N ATOM 0 H ASN 1 43 2.319 2.387 1.997 1.00 0.00 H new ATOM 0 HA ASN 1 43 1.637 1.289 4.658 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.568 3.631 4.514 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 1.173 4.078 3.553 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -1.132 4.164 6.258 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.935 4.093 4.504 1.00 0.00 H new ATOM 572 N TYR 1 44 -0.240 1.923 2.050 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.549 1.694 1.449 1.00 0.00 C ATOM 574 C TYR 1 44 -1.400 1.142 0.031 1.00 0.00 C ATOM 575 O TYR 1 44 -0.452 1.477 -0.678 1.00 0.00 O ATOM 576 CB TYR 1 44 -2.371 2.992 1.442 1.00 0.00 C ATOM 577 CG TYR 1 44 -2.191 3.841 0.200 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -2.836 3.514 -0.987 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -1.378 4.967 0.215 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -2.676 4.283 -2.122 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -1.213 5.743 -0.917 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.864 5.397 -2.083 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.702 6.167 -3.212 1.00 0.00 O ATOM 0 H TYR 1 44 0.466 2.274 1.403 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.080 0.955 2.049 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -3.426 2.740 1.545 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -2.098 3.585 2.315 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -3.474 2.643 -1.022 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.866 5.241 1.126 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -3.184 4.014 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.578 6.616 -0.889 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.100 6.914 -3.015 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.342 0.297 -0.374 1.00 0.00 N ATOM 594 CA GLY 1 45 -2.293 -0.282 -1.704 1.00 0.00 C ATOM 595 C GLY 1 45 -2.941 -1.650 -1.765 1.00 0.00 C ATOM 596 O GLY 1 45 -3.175 -2.281 -0.735 1.00 0.00 O ATOM 0 H GLY 1 45 -3.137 0.003 0.193 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.793 0.385 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.254 -0.361 -2.024 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.231 -2.110 -2.978 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.855 -3.413 -3.173 1.00 0.00 C ATOM 602 C GLU 1 46 -2.978 -4.524 -2.609 1.00 0.00 C ATOM 603 O GLU 1 46 -3.475 -5.489 -2.028 1.00 0.00 O ATOM 604 CB GLU 1 46 -4.108 -3.661 -4.661 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.473 -3.186 -5.134 1.00 0.00 C ATOM 606 CD GLU 1 46 -5.380 -2.086 -6.174 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -5.059 -2.397 -7.340 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -5.629 -0.914 -5.822 1.00 0.00 O ATOM 0 H GLU 1 46 -3.044 -1.599 -3.841 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.806 -3.416 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.336 -3.156 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.013 -4.728 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -6.023 -4.030 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -6.044 -2.825 -4.279 1.00 0.00 H new ATOM 615 N CYS 1 47 -1.671 -4.383 -2.791 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.719 -5.374 -2.308 1.00 0.00 C ATOM 617 C CYS 1 47 -0.056 -4.916 -1.014 1.00 0.00 C ATOM 618 O CYS 1 47 1.072 -5.303 -0.721 1.00 0.00 O ATOM 619 CB CYS 1 47 0.352 -5.633 -3.368 1.00 0.00 C ATOM 620 SG CYS 1 47 1.072 -7.303 -3.305 1.00 0.00 S ATOM 0 H CYS 1 47 -1.246 -3.590 -3.271 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.266 -6.295 -2.108 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -0.083 -5.474 -4.355 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.150 -4.900 -3.249 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.756 -4.090 -0.246 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.220 -3.583 1.011 1.00 0.00 C ATOM 627 C CYS 1 48 -0.779 -4.359 2.199 1.00 0.00 C ATOM 628 O CYS 1 48 -1.983 -4.600 2.285 1.00 0.00 O ATOM 629 CB CYS 1 48 -0.541 -2.095 1.156 1.00 0.00 C ATOM 630 SG CYS 1 48 0.822 -1.099 1.841 1.00 0.00 S ATOM 0 H CYS 1 48 -1.694 -3.758 -0.471 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.862 -3.716 0.998 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.811 -1.696 0.178 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -1.415 -1.984 1.798 1.00 0.00 H new ATOM 635 N ASP 1 49 0.105 -4.751 3.114 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.307 -5.502 4.295 1.00 0.00 C ATOM 637 C ASP 1 49 0.709 -5.364 5.427 1.00 0.00 C ATOM 638 O ASP 1 49 1.769 -5.989 5.406 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.493 -6.979 3.942 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.657 -7.608 4.682 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -1.937 -7.180 5.822 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.290 -8.527 4.121 1.00 0.00 O ATOM 0 H ASP 1 49 1.106 -4.562 3.060 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.255 -5.088 4.638 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.654 -7.076 2.868 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.421 -7.524 4.178 1.00 0.00 H new ATOM 647 N GLN 1 50 0.368 -4.548 6.420 1.00 0.00 N ATOM 648 CA GLN 1 50 1.234 -4.329 7.576 1.00 0.00 C ATOM 649 C GLN 1 50 2.644 -3.913 7.160 1.00 0.00 C ATOM 650 O GLN 1 50 3.617 -4.614 7.437 1.00 0.00 O ATOM 651 CB GLN 1 50 1.297 -5.596 8.433 1.00 0.00 C ATOM 652 CG GLN 1 50 1.686 -5.333 9.879 1.00 0.00 C ATOM 653 CD GLN 1 50 1.369 -6.503 10.789 1.00 0.00 C ATOM 654 OE1 GLN 1 50 0.206 -6.776 11.087 1.00 0.00 O ATOM 655 NE2 GLN 1 50 2.405 -7.202 11.238 1.00 0.00 N ATOM 0 H GLN 1 50 -0.507 -4.024 6.448 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.805 -3.514 8.158 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.325 -6.089 8.411 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 2.015 -6.288 7.992 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.753 -5.116 9.931 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 1.162 -4.447 10.237 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 3.353 -6.941 10.966 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 2.253 -8.000 11.855 1.00 0.00 H new ATOM 664 N CYS 1 51 2.747 -2.761 6.505 1.00 0.00 N ATOM 665 CA CYS 1 51 4.039 -2.239 6.063 1.00 0.00 C ATOM 666 C CYS 1 51 4.808 -3.262 5.228 1.00 0.00 C ATOM 667 O CYS 1 51 6.030 -3.181 5.110 1.00 0.00 O ATOM 668 CB CYS 1 51 4.884 -1.826 7.271 1.00 0.00 C ATOM 669 SG CYS 1 51 3.953 -0.960 8.577 1.00 0.00 S ATOM 0 H CYS 1 51 1.951 -2.169 6.267 1.00 0.00 H new ATOM 0 HA CYS 1 51 3.842 -1.369 5.437 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 5.345 -2.716 7.699 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.694 -1.181 6.930 1.00 0.00 H new ATOM 674 N ARG 1 52 4.092 -4.220 4.648 1.00 0.00 N ATOM 675 CA ARG 1 52 4.721 -5.247 3.824 1.00 0.00 C ATOM 676 C ARG 1 52 3.826 -5.613 2.646 1.00 0.00 C ATOM 677 O ARG 1 52 2.601 -5.616 2.764 1.00 0.00 O ATOM 678 CB ARG 1 52 5.019 -6.494 4.660 1.00 0.00 C ATOM 679 CG ARG 1 52 5.853 -6.215 5.901 1.00 0.00 C ATOM 680 CD ARG 1 52 7.308 -5.941 5.551 1.00 0.00 C ATOM 681 NE ARG 1 52 7.823 -6.884 4.560 1.00 0.00 N ATOM 682 CZ ARG 1 52 8.071 -8.167 4.816 1.00 0.00 C ATOM 683 NH1 ARG 1 52 7.856 -8.663 6.028 1.00 0.00 N ATOM 684 NH2 ARG 1 52 8.537 -8.955 3.856 1.00 0.00 N ATOM 0 H ARG 1 52 3.079 -4.307 4.733 1.00 0.00 H new ATOM 0 HA ARG 1 52 5.659 -4.847 3.439 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 4.077 -6.952 4.962 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 5.542 -7.221 4.038 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 5.439 -5.358 6.433 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.796 -7.068 6.577 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.403 -4.925 5.167 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 7.915 -5.998 6.455 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.003 -6.539 3.617 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.499 -8.061 6.770 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 8.048 -9.647 6.218 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 8.705 -8.578 2.923 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 8.727 -9.938 4.051 1.00 0.00 H new ATOM 698 N PHE 1 53 4.442 -5.918 1.508 1.00 0.00 N ATOM 699 CA PHE 1 53 3.687 -6.279 0.315 1.00 0.00 C ATOM 700 C PHE 1 53 3.064 -7.658 0.460 1.00 0.00 C ATOM 701 O PHE 1 53 3.703 -8.589 0.950 1.00 0.00 O ATOM 702 CB PHE 1 53 4.581 -6.251 -0.928 1.00 0.00 C ATOM 703 CG PHE 1 53 4.858 -4.869 -1.445 1.00 0.00 C ATOM 704 CD1 PHE 1 53 3.888 -3.882 -1.380 1.00 0.00 C ATOM 705 CD2 PHE 1 53 6.089 -4.557 -1.997 1.00 0.00 C ATOM 706 CE1 PHE 1 53 4.139 -2.613 -1.854 1.00 0.00 C ATOM 707 CE2 PHE 1 53 6.347 -3.286 -2.475 1.00 0.00 C ATOM 708 CZ PHE 1 53 5.370 -2.312 -2.403 1.00 0.00 C ATOM 0 H PHE 1 53 5.455 -5.922 1.388 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.892 -5.543 0.197 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.528 -6.738 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.108 -6.836 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 2.923 -4.110 -0.952 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.856 -5.315 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 3.373 -1.854 -1.796 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 7.311 -3.055 -2.904 1.00 0.00 H new ATOM 0 HZ PHE 1 53 5.568 -1.318 -2.775 1.00 0.00 H new ATOM 718 N LYS 1 54 1.819 -7.790 0.018 1.00 0.00 N ATOM 719 CA LYS 1 54 1.128 -9.068 0.089 1.00 0.00 C ATOM 720 C LYS 1 54 1.901 -10.115 -0.702 1.00 0.00 C ATOM 721 O LYS 1 54 1.944 -10.067 -1.930 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.299 -8.937 -0.451 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.365 -9.000 0.631 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.607 -8.218 0.234 1.00 0.00 C ATOM 725 CE LYS 1 54 -2.548 -6.785 0.738 1.00 0.00 C ATOM 726 NZ LYS 1 54 -3.820 -6.054 0.483 1.00 0.00 N ATOM 0 H LYS 1 54 1.272 -7.032 -0.390 1.00 0.00 H new ATOM 0 HA LYS 1 54 1.071 -9.381 1.131 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.391 -7.992 -0.986 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.480 -9.732 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.633 -10.040 0.820 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.964 -8.600 1.562 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.707 -8.219 -0.851 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.492 -8.710 0.637 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -2.337 -6.785 1.807 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -1.725 -6.262 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -3.770 -5.110 0.916 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -3.966 -5.958 -0.542 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.614 -6.583 0.897 1.00 0.00 H new ATOM 740 N LYS 1 55 2.527 -11.047 0.014 1.00 0.00 N ATOM 741 CA LYS 1 55 3.322 -12.105 -0.608 1.00 0.00 C ATOM 742 C LYS 1 55 2.710 -12.574 -1.923 1.00 0.00 C ATOM 743 O LYS 1 55 1.520 -12.898 -1.988 1.00 0.00 O ATOM 744 CB LYS 1 55 3.463 -13.290 0.349 1.00 0.00 C ATOM 745 CG LYS 1 55 4.367 -14.392 -0.177 1.00 0.00 C ATOM 746 CD LYS 1 55 4.358 -15.605 0.740 1.00 0.00 C ATOM 747 CE LYS 1 55 5.503 -16.552 0.421 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.950 -17.307 1.624 1.00 0.00 N ATOM 0 H LYS 1 55 2.499 -11.091 1.033 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.307 -11.691 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.856 -12.933 1.301 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.475 -13.706 0.547 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 4.041 -14.686 -1.175 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 5.385 -14.014 -0.273 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 4.432 -15.279 1.777 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.409 -16.132 0.639 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.189 -17.253 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 6.341 -15.985 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.732 -17.942 1.365 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 6.273 -16.639 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 5.157 -17.868 1.996 1.00 0.00 H new ATOM 762 N ALA 1 56 3.532 -12.603 -2.972 1.00 0.00 N ATOM 763 CA ALA 1 56 3.076 -13.034 -4.288 1.00 0.00 C ATOM 764 C ALA 1 56 2.161 -14.240 -4.166 1.00 0.00 C ATOM 765 O ALA 1 56 2.493 -15.220 -3.499 1.00 0.00 O ATOM 766 CB ALA 1 56 4.254 -13.364 -5.187 1.00 0.00 C ATOM 0 H ALA 1 56 4.515 -12.333 -2.934 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.518 -12.212 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.889 -13.683 -6.163 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.880 -12.480 -5.305 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.840 -14.166 -4.739 1.00 0.00 H new ATOM 772 N GLY 1 57 1.002 -14.152 -4.790 1.00 0.00 N ATOM 773 CA GLY 1 57 0.046 -15.237 -4.712 1.00 0.00 C ATOM 774 C GLY 1 57 -1.228 -14.808 -4.017 1.00 0.00 C ATOM 775 O GLY 1 57 -2.235 -15.514 -4.057 1.00 0.00 O ATOM 0 H GLY 1 57 0.703 -13.352 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -0.188 -15.590 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.489 -16.076 -4.175 1.00 0.00 H new ATOM 779 N THR 1 58 -1.189 -13.634 -3.391 1.00 0.00 N ATOM 780 CA THR 1 58 -2.354 -13.096 -2.706 1.00 0.00 C ATOM 781 C THR 1 58 -3.309 -12.473 -3.723 1.00 0.00 C ATOM 782 O THR 1 58 -3.041 -11.396 -4.257 1.00 0.00 O ATOM 783 CB THR 1 58 -1.920 -12.049 -1.676 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.150 -12.647 -0.648 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.078 -11.331 -1.022 1.00 0.00 C ATOM 0 H THR 1 58 -0.361 -13.040 -3.346 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.868 -13.904 -2.186 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.335 -11.320 -2.237 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.238 -12.803 -0.971 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.697 -10.604 -0.304 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.664 -10.816 -1.784 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.710 -12.054 -0.506 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.415 -13.159 -3.999 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.390 -12.668 -4.967 1.00 0.00 C ATOM 795 C VAL 1 59 -5.989 -11.336 -4.531 1.00 0.00 C ATOM 796 O VAL 1 59 -6.573 -11.230 -3.452 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.537 -13.678 -5.189 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.304 -13.914 -3.897 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.470 -13.197 -6.294 1.00 0.00 C ATOM 0 H VAL 1 59 -4.657 -14.051 -3.569 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.847 -12.533 -5.903 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.101 -14.627 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.107 -14.629 -4.076 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.628 -14.311 -3.140 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.727 -12.972 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.271 -13.922 -6.435 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -7.897 -12.234 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -6.909 -13.090 -7.223 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.851 -10.324 -5.381 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.394 -8.999 -5.079 1.00 0.00 C ATOM 811 C CYS 1 60 -7.560 -8.651 -6.001 1.00 0.00 C ATOM 812 O CYS 1 60 -8.366 -7.774 -5.691 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.314 -7.926 -5.206 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.681 -8.430 -4.588 1.00 0.00 S ATOM 0 H CYS 1 60 -5.372 -10.392 -6.279 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.756 -9.028 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.221 -7.643 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.636 -7.037 -4.664 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.638 -9.331 -7.140 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.700 -9.076 -8.108 1.00 0.00 C ATOM 821 C ARG 1 61 -8.997 -10.321 -8.938 1.00 0.00 C ATOM 822 O ARG 1 61 -8.395 -11.376 -8.739 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.303 -7.921 -9.035 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.406 -6.897 -9.257 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.202 -6.123 -10.555 1.00 0.00 C ATOM 826 NE ARG 1 61 -7.793 -6.012 -10.917 1.00 0.00 N ATOM 827 CZ ARG 1 61 -6.907 -5.286 -10.242 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -7.295 -4.537 -9.218 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.631 -5.304 -10.599 1.00 0.00 N ATOM 0 H ARG 1 61 -6.981 -10.061 -7.415 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.600 -8.806 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.432 -7.416 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.002 -8.330 -9.999 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.372 -7.402 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -9.431 -6.201 -8.418 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -9.744 -6.619 -11.360 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.628 -5.125 -10.451 1.00 0.00 H new ATOM 0 HE ARG 1 61 -7.468 -6.523 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -8.278 -4.516 -8.945 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -6.611 -3.982 -8.704 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.331 -5.874 -11.390 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -4.949 -4.748 -10.083 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.922 -10.178 -9.877 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.305 -11.268 -10.759 1.00 0.00 C ATOM 845 C ILE 1 62 -11.350 -10.786 -11.752 1.00 0.00 C ATOM 846 O ILE 1 62 -12.304 -10.101 -11.383 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.850 -12.481 -9.977 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.420 -13.537 -10.931 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -11.910 -12.036 -8.984 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -10.412 -14.064 -11.929 1.00 0.00 C ATOM 0 H ILE 1 62 -10.425 -9.307 -10.047 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.409 -11.591 -11.289 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.023 -12.932 -9.428 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.808 -14.371 -10.346 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -12.263 -13.107 -11.472 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.285 -12.903 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.475 -11.326 -8.281 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.732 -11.559 -9.518 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.888 -14.807 -12.569 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -10.041 -13.241 -12.541 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -9.579 -14.524 -11.397 1.00 0.00 H new ATOM 862 N ALA 1 63 -11.156 -11.134 -13.013 1.00 0.00 N ATOM 863 CA ALA 1 63 -12.074 -10.721 -14.064 1.00 0.00 C ATOM 864 C ALA 1 63 -13.517 -11.114 -13.725 1.00 0.00 C ATOM 865 O ALA 1 63 -14.204 -10.388 -13.007 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.628 -11.277 -15.412 1.00 0.00 C ATOM 0 H ALA 1 63 -10.372 -11.701 -13.335 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.053 -9.634 -14.135 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.326 -10.958 -16.186 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.631 -10.905 -15.647 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.608 -12.366 -15.368 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.977 -12.256 -14.229 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.337 -12.712 -13.951 1.00 0.00 C ATOM 874 C ARG 1 64 -15.390 -14.227 -13.770 1.00 0.00 C ATOM 875 O ARG 1 64 -15.667 -14.962 -14.716 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.278 -12.291 -15.081 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.761 -10.854 -14.967 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.566 -10.637 -13.695 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.250 -9.346 -13.694 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.131 -8.975 -12.768 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -19.436 -9.791 -11.767 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -19.707 -7.783 -12.842 1.00 0.00 N ATOM 0 H ARG 1 64 -13.434 -12.879 -14.827 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.660 -12.247 -13.020 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.767 -12.419 -16.035 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.141 -12.956 -15.090 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.905 -10.179 -14.977 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.373 -10.605 -15.834 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.300 -11.436 -13.589 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -16.903 -10.697 -12.832 1.00 0.00 H new ATOM 0 HE ARG 1 64 -18.040 -8.691 -14.447 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -18.994 -10.708 -11.704 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -20.112 -9.501 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -19.475 -7.151 -13.608 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.382 -7.498 -12.133 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.139 -14.691 -12.552 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.173 -16.116 -12.288 1.00 0.00 C ATOM 898 C GLY 1 65 -13.921 -16.604 -11.595 1.00 0.00 C ATOM 899 O GLY 1 65 -13.724 -16.361 -10.404 1.00 0.00 O ATOM 0 H GLY 1 65 -14.913 -14.109 -11.746 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.041 -16.348 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.298 -16.654 -13.228 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.070 -17.292 -12.345 1.00 0.00 N ATOM 904 CA ASP 1 66 -11.823 -17.814 -11.802 1.00 0.00 C ATOM 905 C ASP 1 66 -11.024 -18.552 -12.870 1.00 0.00 C ATOM 906 O ASP 1 66 -11.178 -19.758 -13.060 1.00 0.00 O ATOM 907 CB ASP 1 66 -12.099 -18.742 -10.618 1.00 0.00 C ATOM 908 CG ASP 1 66 -13.161 -19.779 -10.930 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -14.332 -19.389 -11.119 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.821 -20.979 -10.986 1.00 0.00 O ATOM 0 H ASP 1 66 -13.221 -17.502 -13.332 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.231 -16.967 -11.456 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.176 -19.246 -10.332 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -12.416 -18.148 -9.761 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.169 -17.810 -13.560 1.00 0.00 N ATOM 916 CA TRP 1 67 -9.330 -18.369 -14.614 1.00 0.00 C ATOM 917 C TRP 1 67 -7.860 -18.158 -14.287 1.00 0.00 C ATOM 918 O TRP 1 67 -7.125 -19.101 -13.994 1.00 0.00 O ATOM 919 CB TRP 1 67 -9.654 -17.709 -15.960 1.00 0.00 C ATOM 920 CG TRP 1 67 -10.583 -16.535 -15.848 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.339 -15.336 -15.232 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -11.910 -16.454 -16.366 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.437 -14.524 -15.332 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.414 -15.185 -16.030 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -12.720 -17.334 -17.083 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -13.693 -14.778 -16.388 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -13.992 -16.929 -17.440 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.468 -15.659 -17.092 1.00 0.00 C ATOM 0 H TRP 1 67 -10.037 -16.810 -13.408 1.00 0.00 H new ATOM 0 HA TRP 1 67 -9.532 -19.438 -14.681 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -8.725 -17.383 -16.428 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.100 -18.452 -16.621 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.415 -15.070 -14.739 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.515 -13.582 -14.950 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -12.359 -18.315 -17.355 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.063 -13.799 -16.120 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -14.628 -17.602 -17.996 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.466 -15.369 -17.385 1.00 0.00 H new ATOM 939 N ASN 1 68 -7.455 -16.900 -14.336 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.086 -16.508 -14.045 1.00 0.00 C ATOM 941 C ASN 1 68 -6.022 -15.850 -12.675 1.00 0.00 C ATOM 942 O ASN 1 68 -5.063 -16.032 -11.926 1.00 0.00 O ATOM 943 CB ASN 1 68 -5.575 -15.539 -15.116 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.089 -15.878 -16.505 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.350 -15.545 -16.770 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.362 -16.431 -17.329 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.067 -16.121 -14.579 1.00 0.00 H new ATOM 0 HA ASN 1 68 -5.454 -17.396 -14.046 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.879 -14.525 -14.858 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.485 -15.553 -15.123 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -4.401 -16.669 -17.083 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -5.720 -16.652 -18.258 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.068 -15.092 -12.357 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.165 -14.402 -11.078 1.00 0.00 C ATOM 955 C ASP 1 69 -6.007 -13.432 -10.880 1.00 0.00 C ATOM 956 O ASP 1 69 -4.846 -13.780 -11.092 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.194 -15.414 -9.932 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.605 -15.799 -9.534 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.190 -15.105 -8.676 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.126 -16.794 -10.080 1.00 0.00 O ATOM 0 H ASP 1 69 -7.866 -14.941 -12.975 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.092 -13.829 -11.079 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.646 -16.309 -10.228 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -6.678 -14.995 -9.068 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.328 -12.218 -10.450 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.307 -11.212 -10.201 1.00 0.00 C ATOM 967 C ASP 1 70 -4.513 -11.608 -8.969 1.00 0.00 C ATOM 968 O ASP 1 70 -5.090 -12.046 -7.973 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.951 -9.841 -10.008 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.949 -8.769 -9.613 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -4.239 -8.961 -8.603 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -4.877 -7.736 -10.307 1.00 0.00 O ATOM 0 H ASP 1 70 -7.283 -11.909 -10.268 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.636 -11.151 -11.058 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.447 -9.545 -10.932 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.722 -9.912 -9.241 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.192 -11.492 -9.038 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.370 -11.902 -7.909 1.00 0.00 C ATOM 979 C TYR 1 71 -1.209 -10.973 -7.613 1.00 0.00 C ATOM 980 O TYR 1 71 -0.591 -10.403 -8.511 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.836 -13.303 -8.161 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.825 -14.370 -7.797 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.100 -14.642 -6.472 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -3.492 -15.093 -8.773 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.009 -15.612 -6.115 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -4.407 -16.066 -8.432 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.663 -16.325 -7.099 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.575 -17.295 -6.752 1.00 0.00 O ATOM 0 H TYR 1 71 -2.679 -11.128 -9.841 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.018 -11.870 -7.033 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.570 -13.403 -9.213 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -0.922 -13.448 -7.586 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.592 -14.083 -5.700 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -3.292 -14.891 -9.815 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.209 -15.813 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -4.921 -16.622 -9.202 1.00 0.00 H new ATOM 0 HH TYR 1 71 -5.946 -17.701 -7.563 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.913 -10.861 -6.323 1.00 0.00 N ATOM 999 CA CYS 1 72 0.186 -10.039 -5.843 1.00 0.00 C ATOM 1000 C CYS 1 72 1.515 -10.587 -6.347 1.00 0.00 C ATOM 1001 O CYS 1 72 1.600 -11.741 -6.770 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.185 -10.020 -4.314 1.00 0.00 C ATOM 1003 SG CYS 1 72 -0.529 -8.515 -3.583 1.00 0.00 S ATOM 0 H CYS 1 72 -1.429 -11.338 -5.583 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.057 -9.024 -6.220 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.372 -10.885 -3.952 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 1.210 -10.130 -3.960 1.00 0.00 H new ATOM 1008 N THR 1 73 2.552 -9.760 -6.293 1.00 0.00 N ATOM 1009 CA THR 1 73 3.877 -10.171 -6.743 1.00 0.00 C ATOM 1010 C THR 1 73 4.918 -10.004 -5.636 1.00 0.00 C ATOM 1011 O THR 1 73 6.092 -10.324 -5.827 1.00 0.00 O ATOM 1012 CB THR 1 73 4.290 -9.362 -7.973 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.725 -8.067 -7.599 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.173 -9.199 -8.979 1.00 0.00 C ATOM 0 H THR 1 73 2.502 -8.803 -5.943 1.00 0.00 H new ATOM 0 HA THR 1 73 3.828 -11.228 -7.005 1.00 0.00 H new ATOM 0 HB THR 1 73 5.097 -9.929 -8.437 1.00 0.00 H new ATOM 0 HG1 THR 1 73 4.986 -7.566 -8.400 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.530 -8.616 -9.828 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.848 -10.181 -9.324 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.335 -8.683 -8.511 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.487 -9.505 -4.479 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.402 -9.312 -3.369 1.00 0.00 C ATOM 1024 C GLY 1 74 6.572 -8.414 -3.725 1.00 0.00 C ATOM 1025 O GLY 1 74 7.620 -8.466 -3.080 1.00 0.00 O ATOM 0 H GLY 1 74 3.522 -9.232 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.860 -8.880 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.779 -10.281 -3.041 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.397 -7.590 -4.753 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.450 -6.680 -5.189 1.00 0.00 C ATOM 1031 C LYS 1 75 6.899 -5.283 -5.473 1.00 0.00 C ATOM 1032 O LYS 1 75 7.597 -4.437 -6.033 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.140 -7.229 -6.439 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.471 -8.710 -6.349 1.00 0.00 C ATOM 1035 CD LYS 1 75 9.854 -9.008 -6.905 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.887 -10.344 -7.630 1.00 0.00 C ATOM 1037 NZ LYS 1 75 9.054 -10.327 -8.864 1.00 0.00 N ATOM 0 H LYS 1 75 5.537 -7.534 -5.299 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.176 -6.601 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.497 -7.061 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.059 -6.669 -6.612 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 8.419 -9.033 -5.309 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 7.725 -9.284 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.151 -8.214 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.580 -9.016 -6.092 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.916 -10.590 -7.890 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.531 -11.128 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 9.418 -11.030 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 8.069 -10.558 -8.621 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.092 -9.381 -9.295 1.00 0.00 H new ATOM 1051 N SER 1 76 5.648 -5.042 -5.087 1.00 0.00 N ATOM 1052 CA SER 1 76 5.021 -3.745 -5.306 1.00 0.00 C ATOM 1053 C SER 1 76 3.640 -3.689 -4.662 1.00 0.00 C ATOM 1054 O SER 1 76 3.095 -4.712 -4.248 1.00 0.00 O ATOM 1055 CB SER 1 76 4.909 -3.457 -6.804 1.00 0.00 C ATOM 1056 OG SER 1 76 6.045 -2.754 -7.276 1.00 0.00 O ATOM 0 H SER 1 76 5.052 -5.727 -4.623 1.00 0.00 H new ATOM 0 HA SER 1 76 5.648 -2.985 -4.841 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.805 -4.394 -7.351 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.010 -2.873 -6.999 1.00 0.00 H new ATOM 0 HG SER 1 76 6.851 -3.106 -6.843 1.00 0.00 H new ATOM 1062 N SER 1 77 3.080 -2.485 -4.584 1.00 0.00 N ATOM 1063 CA SER 1 77 1.759 -2.287 -3.993 1.00 0.00 C ATOM 1064 C SER 1 77 0.658 -2.415 -5.045 1.00 0.00 C ATOM 1065 O SER 1 77 -0.498 -2.082 -4.785 1.00 0.00 O ATOM 1066 CB SER 1 77 1.678 -0.912 -3.322 1.00 0.00 C ATOM 1067 OG SER 1 77 2.941 -0.270 -3.313 1.00 0.00 O ATOM 0 H SER 1 77 3.521 -1.630 -4.923 1.00 0.00 H new ATOM 0 HA SER 1 77 1.609 -3.063 -3.243 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.955 -0.290 -3.849 1.00 0.00 H new ATOM 0 HB3 SER 1 77 1.317 -1.024 -2.300 1.00 0.00 H new ATOM 0 HG SER 1 77 3.621 -0.891 -2.979 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.021 -2.889 -6.234 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.056 -3.046 -7.316 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.146 -4.515 -7.672 1.00 0.00 C ATOM 1076 O ASP 1 78 0.806 -5.227 -7.993 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.516 -2.267 -8.551 1.00 0.00 C ATOM 1078 CG ASP 1 78 -0.564 -1.349 -9.090 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 -1.402 -0.884 -8.289 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.572 -1.096 -10.313 1.00 0.00 O ATOM 0 H ASP 1 78 1.973 -3.170 -6.471 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.899 -2.647 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.397 -1.678 -8.298 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.815 -2.969 -9.330 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.398 -4.957 -7.622 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.745 -6.335 -7.948 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.189 -6.436 -9.407 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.264 -5.956 -9.765 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.864 -6.823 -7.027 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.535 -8.440 -6.260 1.00 0.00 S ATOM 0 H CYS 1 79 -2.194 -4.376 -7.357 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.866 -6.963 -7.804 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.022 -6.085 -6.241 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.790 -6.884 -7.598 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.368 -7.051 -10.277 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.697 -7.190 -11.696 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.774 -8.234 -11.953 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.840 -9.267 -11.279 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.376 -7.618 -12.328 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.354 -8.321 -11.237 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.057 -7.647 -9.954 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.103 -6.265 -12.106 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.540 -8.275 -13.182 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.187 -6.758 -12.691 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.100 -9.381 -11.219 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.432 -8.254 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.133 -8.360 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.664 -6.888 -9.651 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.612 -7.949 -12.942 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.693 -8.841 -13.321 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.636 -9.145 -14.809 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.343 -8.535 -15.611 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.044 -8.234 -12.970 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.301 -6.909 -13.608 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.462 -5.834 -13.664 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.503 -6.515 -14.258 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -6.074 -4.796 -14.309 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.331 -5.189 -14.684 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -8.708 -7.162 -14.520 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.325 -4.494 -15.355 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -9.699 -6.472 -15.190 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.503 -5.148 -15.600 1.00 0.00 C ATOM 0 H TRP 1 81 -3.559 -7.097 -13.500 1.00 0.00 H new ATOM 0 HA TRP 1 81 -4.572 -9.770 -12.764 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.830 -8.927 -13.268 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.110 -8.123 -11.888 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.461 -5.807 -13.258 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.662 -3.879 -14.483 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -8.864 -8.183 -14.205 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -8.176 -3.473 -15.673 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -10.639 -6.961 -15.401 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.297 -4.632 -16.120 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.780 -10.088 -15.161 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.596 -10.497 -16.550 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.911 -10.955 -17.169 1.00 0.00 C ATOM 1136 O ASN 1 82 -5.200 -12.150 -17.228 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.560 -11.619 -16.638 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.288 -11.293 -15.880 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.485 -10.468 -16.315 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.099 -11.943 -14.737 1.00 0.00 N ATOM 0 H ASN 1 82 -3.193 -10.593 -14.497 1.00 0.00 H new ATOM 0 HA ASN 1 82 -3.239 -9.633 -17.109 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -2.990 -12.539 -16.242 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.318 -11.805 -17.684 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.262 -11.766 -14.182 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.791 -12.619 -14.414 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.702 -9.995 -17.629 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.989 -10.291 -18.248 1.00 0.00 C ATOM 1149 C HIS 1 83 -7.272 -9.335 -19.402 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.034 -9.726 -20.564 1.00 0.00 O ATOM 1151 CB HIS 1 83 -8.109 -10.201 -17.210 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.974 -11.195 -16.099 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.993 -10.843 -14.767 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.817 -12.539 -16.129 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -7.854 -11.926 -14.025 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -7.746 -12.968 -14.827 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -7.728 -8.204 -19.134 1.00 0.00 O ATOM 0 H HIS 1 83 -5.475 -9.002 -17.585 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.949 -11.306 -18.643 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.123 -9.196 -16.788 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -9.067 -10.351 -17.707 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.098 -9.893 -14.410 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.759 -13.158 -17.012 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -7.832 -11.954 -12.946 1.00 0.00 H new TER 1166 HIS 1 83