USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 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= -1.07 F(o=-12!,f=-9.9) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -8.82! C(o=-12!,f=-9.9!) USER MOD Set 2.1: 1 30 ASN : amide:sc= -1.23 K(o=-7.8,f=-10!) USER MOD Set 2.2: 1 33 THR OG1 : rot 180:sc= -6.55! USER MOD Single : 1 7 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -6.86! C(o=-6.9!,f=-14!) USER MOD Single : 1 20 SER OG : rot -6:sc= 1.09 USER MOD Single : 1 23 ASN : amide:sc= -3.98 K(o=-4,f=-8.9!) USER MOD Single : 1 25 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.076) USER MOD Single : 1 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.061) USER MOD Single : 1 37 THR OG1 : rot 180:sc= -3.68! USER MOD Single : 1 40 SER OG : rot 152:sc= 1.08 USER MOD Single : 1 41 GLN :FLIP amide:sc= -1.73 F(o=-2.9,f=-1.7) USER MOD Single : 1 43 ASN : amide:sc= -3.03 K(o=-3,f=-5.2!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.8!) 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 77:sc= 0.932 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+ 180:sc= 0 (180deg=0) USER MOD Single : 1 76 SER OG : rot 53:sc= 1.27 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0032 USER MOD Single : 1 82 ASN : amide:sc= -2.7 K(o=-2.7,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 42 N VAL 1 4 -0.822 17.367 13.055 1.00 0.00 N ATOM 43 CA VAL 1 4 -0.816 16.561 11.870 1.00 0.00 C ATOM 44 C VAL 1 4 0.349 16.976 10.982 1.00 0.00 C ATOM 45 O VAL 1 4 0.229 17.901 10.180 1.00 0.00 O ATOM 46 CB VAL 1 4 -2.137 16.694 11.095 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -2.575 15.338 10.584 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -3.223 17.314 11.963 1.00 0.00 C ATOM 0 HA VAL 1 4 -0.705 15.518 12.165 1.00 0.00 H new ATOM 0 HB VAL 1 4 -1.972 17.357 10.246 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -3.512 15.441 10.036 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -1.809 14.934 9.921 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.720 14.661 11.426 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -4.146 17.396 11.388 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -3.394 16.685 12.837 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -2.908 18.306 12.286 1.00 0.00 H new ATOM 58 N CYS 1 5 1.480 16.301 11.142 1.00 0.00 N ATOM 59 CA CYS 1 5 2.668 16.632 10.352 1.00 0.00 C ATOM 60 C CYS 1 5 2.413 16.294 8.889 1.00 0.00 C ATOM 61 O CYS 1 5 2.523 15.143 8.471 1.00 0.00 O ATOM 62 CB CYS 1 5 3.934 15.893 10.847 1.00 0.00 C ATOM 63 SG CYS 1 5 3.731 14.877 12.355 1.00 0.00 S ATOM 0 H CYS 1 5 1.604 15.532 11.800 1.00 0.00 H new ATOM 0 HA CYS 1 5 2.853 17.700 10.469 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.292 15.249 10.044 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 4.713 16.632 11.033 1.00 0.00 H new ATOM 68 N GLY 1 6 2.039 17.315 8.124 1.00 0.00 N ATOM 69 CA GLY 1 6 1.732 17.127 6.720 1.00 0.00 C ATOM 70 C GLY 1 6 0.239 16.964 6.490 1.00 0.00 C ATOM 71 O GLY 1 6 -0.187 16.483 5.440 1.00 0.00 O ATOM 0 H GLY 1 6 1.943 18.275 8.456 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 2.097 17.981 6.150 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 2.256 16.247 6.347 1.00 0.00 H new ATOM 75 N ASN 1 7 -0.554 17.363 7.486 1.00 0.00 N ATOM 76 CA ASN 1 7 -2.008 17.258 7.414 1.00 0.00 C ATOM 77 C ASN 1 7 -2.436 15.803 7.287 1.00 0.00 C ATOM 78 O ASN 1 7 -1.836 15.036 6.534 1.00 0.00 O ATOM 79 CB ASN 1 7 -2.556 18.061 6.231 1.00 0.00 C ATOM 80 CG ASN 1 7 -2.917 19.483 6.614 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -2.256 20.436 6.202 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -3.972 19.632 7.406 1.00 0.00 N ATOM 0 H ASN 1 7 -0.208 17.764 8.357 1.00 0.00 H new ATOM 0 HA ASN 1 7 -2.417 17.669 8.337 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -1.813 18.080 5.433 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -3.438 17.560 5.833 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -4.264 20.565 7.697 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -4.491 18.813 7.724 1.00 0.00 H new ATOM 89 N LYS 1 8 -3.474 15.425 8.030 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.979 14.055 8.004 1.00 0.00 C ATOM 91 C LYS 1 8 -4.079 13.556 6.571 1.00 0.00 C ATOM 92 O LYS 1 8 -4.978 13.958 5.832 1.00 0.00 O ATOM 93 CB LYS 1 8 -5.350 13.985 8.689 1.00 0.00 C ATOM 94 CG LYS 1 8 -6.092 12.676 8.459 1.00 0.00 C ATOM 95 CD LYS 1 8 -5.258 11.478 8.880 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.730 10.204 8.197 1.00 0.00 C ATOM 97 NZ LYS 1 8 -6.715 9.459 9.029 1.00 0.00 N ATOM 0 H LYS 1 8 -3.982 16.049 8.657 1.00 0.00 H new ATOM 0 HA LYS 1 8 -3.283 13.415 8.546 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -5.217 14.132 9.761 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.967 14.808 8.329 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -7.027 12.684 9.019 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -6.353 12.586 7.405 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -4.211 11.658 8.635 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -5.315 11.355 9.962 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -6.181 10.453 7.236 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -4.872 9.564 7.990 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -7.012 8.597 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -6.277 9.199 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -7.545 10.060 9.205 1.00 0.00 H new ATOM 111 N ILE 1 9 -3.146 12.693 6.169 1.00 0.00 N ATOM 112 CA ILE 1 9 -3.164 12.181 4.795 1.00 0.00 C ATOM 113 C ILE 1 9 -4.549 11.681 4.424 1.00 0.00 C ATOM 114 O ILE 1 9 -5.115 10.812 5.085 1.00 0.00 O ATOM 115 CB ILE 1 9 -2.123 11.075 4.521 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -2.134 9.990 5.594 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.742 11.688 4.410 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -3.221 8.956 5.402 1.00 0.00 C ATOM 0 H ILE 1 9 -2.388 12.341 6.754 1.00 0.00 H new ATOM 0 HA ILE 1 9 -2.890 13.029 4.168 1.00 0.00 H new ATOM 0 HB ILE 1 9 -2.391 10.596 3.579 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -1.166 9.489 5.602 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -2.259 10.458 6.570 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 -0.010 10.904 4.217 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.728 12.407 3.591 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 -0.493 12.195 5.342 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -3.166 8.218 6.202 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -4.195 9.444 5.424 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -3.086 8.460 4.441 1.00 0.00 H new ATOM 130 N LEU 1 10 -5.100 12.270 3.374 1.00 0.00 N ATOM 131 CA LEU 1 10 -6.433 11.923 2.916 1.00 0.00 C ATOM 132 C LEU 1 10 -6.411 10.804 1.882 1.00 0.00 C ATOM 133 O LEU 1 10 -7.428 10.510 1.254 1.00 0.00 O ATOM 134 CB LEU 1 10 -7.128 13.169 2.352 1.00 0.00 C ATOM 135 CG LEU 1 10 -6.319 13.994 1.335 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -5.458 15.029 2.044 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -5.459 13.102 0.448 1.00 0.00 C ATOM 0 H LEU 1 10 -4.640 12.994 2.822 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.995 11.552 3.773 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -8.059 12.858 1.878 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -7.396 13.819 3.185 1.00 0.00 H new ATOM 0 HG LEU 1 10 -7.031 14.513 0.694 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -4.895 15.601 1.306 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -6.096 15.703 2.616 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -4.766 14.526 2.719 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -4.902 13.719 -0.257 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -4.761 12.538 1.067 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -6.098 12.410 -0.101 1.00 0.00 H new ATOM 149 N GLU 1 11 -5.250 10.182 1.716 1.00 0.00 N ATOM 150 CA GLU 1 11 -5.093 9.087 0.755 1.00 0.00 C ATOM 151 C GLU 1 11 -3.636 8.641 0.630 1.00 0.00 C ATOM 152 O GLU 1 11 -3.216 8.198 -0.440 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.594 9.518 -0.625 1.00 0.00 C ATOM 154 CG GLU 1 11 -4.716 10.570 -1.285 1.00 0.00 C ATOM 155 CD GLU 1 11 -5.487 11.457 -2.244 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -6.509 10.993 -2.791 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -5.067 12.615 -2.449 1.00 0.00 O ATOM 0 H GLU 1 11 -4.401 10.414 2.232 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.682 8.249 1.128 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -5.649 8.643 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.607 9.909 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.256 11.189 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.907 10.077 -1.823 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.861 8.764 1.702 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.456 8.373 1.652 1.00 0.00 C ATOM 166 C GLN 1 12 -1.184 7.098 2.448 1.00 0.00 C ATOM 167 O GLN 1 12 -1.073 6.013 1.877 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.563 9.504 2.167 1.00 0.00 C ATOM 169 CG GLN 1 12 -0.848 10.865 1.544 1.00 0.00 C ATOM 170 CD GLN 1 12 -0.892 10.830 0.028 1.00 0.00 C ATOM 171 OE1 GLN 1 12 -1.624 10.041 -0.567 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.102 11.689 -0.605 1.00 0.00 N ATOM 0 H GLN 1 12 -3.175 9.125 2.603 1.00 0.00 H new ATOM 0 HA GLN 1 12 -1.220 8.171 0.607 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 -0.682 9.581 3.248 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 0.478 9.243 1.979 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -1.801 11.237 1.920 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 -0.081 11.571 1.863 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 0.489 12.326 -0.072 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.087 11.712 -1.625 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.049 7.238 3.763 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.759 6.091 4.604 1.00 0.00 C ATOM 183 C GLY 1 13 0.647 5.567 4.373 1.00 0.00 C ATOM 184 O GLY 1 13 0.936 4.405 4.654 1.00 0.00 O ATOM 0 H GLY 1 13 -1.135 8.124 4.261 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.876 6.369 5.651 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.480 5.299 4.401 1.00 0.00 H new ATOM 188 N GLU 1 14 1.511 6.445 3.846 1.00 0.00 N ATOM 189 CA GLU 1 14 2.914 6.131 3.534 1.00 0.00 C ATOM 190 C GLU 1 14 3.359 6.920 2.311 1.00 0.00 C ATOM 191 O GLU 1 14 4.553 7.123 2.088 1.00 0.00 O ATOM 192 CB GLU 1 14 3.128 4.636 3.277 1.00 0.00 C ATOM 193 CG GLU 1 14 3.527 3.852 4.515 1.00 0.00 C ATOM 194 CD GLU 1 14 3.130 2.391 4.431 1.00 0.00 C ATOM 195 OE1 GLU 1 14 1.922 2.096 4.549 1.00 0.00 O ATOM 196 OE2 GLU 1 14 4.028 1.542 4.247 1.00 0.00 O ATOM 0 H GLU 1 14 1.253 7.406 3.621 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.511 6.410 4.402 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 2.210 4.212 2.870 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 3.900 4.514 2.517 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.606 3.924 4.655 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 3.061 4.302 5.392 1.00 0.00 H new ATOM 203 N ASP 1 15 2.387 7.370 1.527 1.00 0.00 N ATOM 204 CA ASP 1 15 2.661 8.147 0.329 1.00 0.00 C ATOM 205 C ASP 1 15 3.573 9.323 0.644 1.00 0.00 C ATOM 206 O ASP 1 15 4.691 9.411 0.136 1.00 0.00 O ATOM 207 CB ASP 1 15 1.353 8.658 -0.266 1.00 0.00 C ATOM 208 CG ASP 1 15 1.429 8.841 -1.769 1.00 0.00 C ATOM 209 OD1 ASP 1 15 1.660 7.840 -2.478 1.00 0.00 O ATOM 210 OD2 ASP 1 15 1.257 9.987 -2.237 1.00 0.00 O ATOM 0 H ASP 1 15 1.396 7.207 1.703 1.00 0.00 H new ATOM 0 HA ASP 1 15 3.163 7.502 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 0.552 7.958 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.093 9.609 0.199 1.00 0.00 H new ATOM 215 N CYS 1 16 3.086 10.230 1.487 1.00 0.00 N ATOM 216 CA CYS 1 16 3.857 11.403 1.869 1.00 0.00 C ATOM 217 C CYS 1 16 3.039 12.342 2.750 1.00 0.00 C ATOM 218 O CYS 1 16 1.899 12.682 2.433 1.00 0.00 O ATOM 219 CB CYS 1 16 4.344 12.140 0.616 1.00 0.00 C ATOM 220 SG CYS 1 16 4.625 13.934 0.840 1.00 0.00 S ATOM 0 H CYS 1 16 2.162 10.173 1.916 1.00 0.00 H new ATOM 0 HA CYS 1 16 4.719 11.069 2.447 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 5.273 11.680 0.280 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.612 11.998 -0.179 1.00 0.00 H new ATOM 225 N ASP 1 17 3.648 12.762 3.851 1.00 0.00 N ATOM 226 CA ASP 1 17 3.020 13.675 4.797 1.00 0.00 C ATOM 227 C ASP 1 17 1.879 12.994 5.534 1.00 0.00 C ATOM 228 O ASP 1 17 0.773 13.528 5.601 1.00 0.00 O ATOM 229 CB ASP 1 17 2.519 14.935 4.079 1.00 0.00 C ATOM 230 CG ASP 1 17 3.487 16.094 4.206 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.207 16.157 5.225 1.00 0.00 O ATOM 232 OD2 ASP 1 17 3.526 16.939 3.287 1.00 0.00 O ATOM 0 H ASP 1 17 4.592 12.479 4.114 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.770 13.969 5.531 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.361 14.711 3.024 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.553 15.225 4.491 1.00 0.00 H new ATOM 237 N CYS 1 18 2.168 11.815 6.094 1.00 0.00 N ATOM 238 CA CYS 1 18 1.181 11.028 6.846 1.00 0.00 C ATOM 239 C CYS 1 18 0.243 11.916 7.661 1.00 0.00 C ATOM 240 O CYS 1 18 -0.898 11.541 7.930 1.00 0.00 O ATOM 241 CB CYS 1 18 1.882 10.027 7.779 1.00 0.00 C ATOM 242 SG CYS 1 18 3.240 9.095 6.995 1.00 0.00 S ATOM 0 H CYS 1 18 3.089 11.379 6.040 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.583 10.485 6.114 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 2.277 10.566 8.640 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 1.143 9.321 8.156 1.00 0.00 H new ATOM 247 N GLY 1 19 0.724 13.092 8.049 1.00 0.00 N ATOM 248 CA GLY 1 19 -0.092 13.998 8.820 1.00 0.00 C ATOM 249 C GLY 1 19 -0.399 13.466 10.196 1.00 0.00 C ATOM 250 O GLY 1 19 0.213 13.880 11.179 1.00 0.00 O ATOM 0 H GLY 1 19 1.664 13.430 7.841 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 0.420 14.956 8.910 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -1.025 14.184 8.289 1.00 0.00 H new ATOM 254 N SER 1 20 -1.361 12.555 10.271 1.00 0.00 N ATOM 255 CA SER 1 20 -1.761 11.987 11.545 1.00 0.00 C ATOM 256 C SER 1 20 -0.555 11.459 12.312 1.00 0.00 C ATOM 257 O SER 1 20 0.044 10.446 11.951 1.00 0.00 O ATOM 258 CB SER 1 20 -2.794 10.893 11.342 1.00 0.00 C ATOM 259 OG SER 1 20 -2.182 9.648 11.052 1.00 0.00 O ATOM 0 H SER 1 20 -1.875 12.197 9.466 1.00 0.00 H new ATOM 0 HA SER 1 20 -2.214 12.779 12.141 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.406 10.798 12.239 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -3.463 11.169 10.527 1.00 0.00 H new ATOM 0 HG SER 1 20 -1.216 9.775 10.947 1.00 0.00 H new ATOM 265 N PRO 1 21 -0.184 12.175 13.381 1.00 0.00 N ATOM 266 CA PRO 1 21 0.959 11.838 14.228 1.00 0.00 C ATOM 267 C PRO 1 21 0.997 10.369 14.615 1.00 0.00 C ATOM 268 O PRO 1 21 2.066 9.821 14.883 1.00 0.00 O ATOM 269 CB PRO 1 21 0.759 12.727 15.453 1.00 0.00 C ATOM 270 CG PRO 1 21 0.033 13.915 14.925 1.00 0.00 C ATOM 271 CD PRO 1 21 -0.860 13.397 13.830 1.00 0.00 C ATOM 0 HA PRO 1 21 1.908 12.003 13.717 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 0.182 12.218 16.225 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.712 13.009 15.901 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -0.550 14.397 15.710 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 0.730 14.660 14.542 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -1.864 13.187 14.198 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -0.961 14.119 13.020 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.162 9.721 14.616 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.226 8.304 14.941 1.00 0.00 C ATOM 281 C ALA 1 22 0.737 7.520 14.052 1.00 0.00 C ATOM 282 O ALA 1 22 1.165 6.418 14.395 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.647 7.784 14.777 1.00 0.00 C ATOM 0 H ALA 1 22 -1.061 10.150 14.398 1.00 0.00 H new ATOM 0 HA ALA 1 22 0.069 8.169 15.982 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.677 6.723 15.024 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.314 8.331 15.444 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -1.969 7.926 13.745 1.00 0.00 H new ATOM 289 N ASN 1 23 1.075 8.110 12.904 1.00 0.00 N ATOM 290 CA ASN 1 23 1.987 7.492 11.955 1.00 0.00 C ATOM 291 C ASN 1 23 3.095 8.466 11.543 1.00 0.00 C ATOM 292 O ASN 1 23 3.724 8.296 10.500 1.00 0.00 O ATOM 293 CB ASN 1 23 1.214 7.032 10.719 1.00 0.00 C ATOM 294 CG ASN 1 23 0.077 6.091 11.065 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.057 5.654 12.208 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.750 5.774 10.076 1.00 0.00 N ATOM 0 H ASN 1 23 0.725 9.022 12.612 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.451 6.631 12.436 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 0.816 7.903 10.198 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.897 6.534 10.031 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.534 5.145 10.249 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.601 6.160 9.143 1.00 0.00 H new ATOM 303 N CYS 1 24 3.328 9.486 12.367 1.00 0.00 N ATOM 304 CA CYS 1 24 4.357 10.485 12.084 1.00 0.00 C ATOM 305 C CYS 1 24 5.686 10.083 12.710 1.00 0.00 C ATOM 306 O CYS 1 24 5.762 9.804 13.906 1.00 0.00 O ATOM 307 CB CYS 1 24 3.914 11.858 12.603 1.00 0.00 C ATOM 308 SG CYS 1 24 4.936 13.265 12.047 1.00 0.00 S ATOM 0 H CYS 1 24 2.818 9.642 13.236 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.495 10.544 11.004 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 2.884 12.032 12.291 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.917 11.835 13.693 1.00 0.00 H new ATOM 313 N GLN 1 25 6.731 10.047 11.889 1.00 0.00 N ATOM 314 CA GLN 1 25 8.059 9.668 12.359 1.00 0.00 C ATOM 315 C GLN 1 25 8.073 8.210 12.811 1.00 0.00 C ATOM 316 O GLN 1 25 8.945 7.794 13.574 1.00 0.00 O ATOM 317 CB GLN 1 25 8.499 10.578 13.510 1.00 0.00 C ATOM 318 CG GLN 1 25 8.071 12.028 13.339 1.00 0.00 C ATOM 319 CD GLN 1 25 9.224 13.001 13.498 1.00 0.00 C ATOM 320 OE1 GLN 1 25 9.113 14.002 14.206 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.339 12.710 12.838 1.00 0.00 N ATOM 0 H GLN 1 25 6.684 10.275 10.896 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.759 9.783 11.532 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 8.087 10.194 14.443 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.584 10.537 13.600 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 7.625 12.157 12.353 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 7.299 12.263 14.071 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.386 11.869 12.263 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.148 13.327 12.907 1.00 0.00 H new ATOM 330 N ASP 1 26 7.100 7.438 12.331 1.00 0.00 N ATOM 331 CA ASP 1 26 6.992 6.025 12.679 1.00 0.00 C ATOM 332 C ASP 1 26 5.763 5.403 12.022 1.00 0.00 C ATOM 333 O ASP 1 26 5.114 6.026 11.183 1.00 0.00 O ATOM 334 CB ASP 1 26 6.915 5.853 14.198 1.00 0.00 C ATOM 335 CG ASP 1 26 7.712 4.658 14.685 1.00 0.00 C ATOM 336 OD1 ASP 1 26 7.689 3.612 14.004 1.00 0.00 O ATOM 337 OD2 ASP 1 26 8.359 4.770 15.748 1.00 0.00 O ATOM 0 H ASP 1 26 6.373 7.770 11.697 1.00 0.00 H new ATOM 0 HA ASP 1 26 7.882 5.515 12.311 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 7.286 6.756 14.683 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 5.873 5.737 14.496 1.00 0.00 H new ATOM 342 N ARG 1 27 5.448 4.173 12.411 1.00 0.00 N ATOM 343 CA ARG 1 27 4.295 3.467 11.861 1.00 0.00 C ATOM 344 C ARG 1 27 4.487 3.176 10.376 1.00 0.00 C ATOM 345 O ARG 1 27 3.537 3.223 9.595 1.00 0.00 O ATOM 346 CB ARG 1 27 3.017 4.280 12.072 1.00 0.00 C ATOM 347 CG ARG 1 27 1.762 3.424 12.167 1.00 0.00 C ATOM 348 CD ARG 1 27 1.193 3.412 13.578 1.00 0.00 C ATOM 349 NE ARG 1 27 1.396 2.125 14.239 1.00 0.00 N ATOM 350 CZ ARG 1 27 2.539 1.757 14.814 1.00 0.00 C ATOM 351 NH1 ARG 1 27 3.584 2.574 14.813 1.00 0.00 N ATOM 352 NH2 ARG 1 27 2.636 0.568 15.393 1.00 0.00 N ATOM 0 H ARG 1 27 5.975 3.643 13.105 1.00 0.00 H new ATOM 0 HA ARG 1 27 4.203 2.518 12.389 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 3.116 4.868 12.985 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.905 4.986 11.249 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 1.010 3.803 11.475 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 1.993 2.404 11.859 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 1.664 4.200 14.166 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 0.127 3.636 13.541 1.00 0.00 H new ATOM 0 HE ARG 1 27 0.615 1.469 14.261 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 3.515 3.490 14.370 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 4.457 2.286 15.255 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 1.835 -0.064 15.398 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 3.511 0.285 15.834 1.00 0.00 H new ATOM 366 N CYS 1 28 5.723 2.864 9.998 1.00 0.00 N ATOM 367 CA CYS 1 28 6.052 2.546 8.611 1.00 0.00 C ATOM 368 C CYS 1 28 5.863 3.748 7.683 1.00 0.00 C ATOM 369 O CYS 1 28 5.691 3.580 6.478 1.00 0.00 O ATOM 370 CB CYS 1 28 5.201 1.371 8.119 1.00 0.00 C ATOM 371 SG CYS 1 28 5.886 -0.268 8.528 1.00 0.00 S ATOM 0 H CYS 1 28 6.518 2.824 10.636 1.00 0.00 H new ATOM 0 HA CYS 1 28 7.106 2.271 8.585 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.203 1.454 8.550 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.088 1.446 7.037 1.00 0.00 H new ATOM 376 N CYS 1 29 5.903 4.960 8.237 1.00 0.00 N ATOM 377 CA CYS 1 29 5.740 6.166 7.423 1.00 0.00 C ATOM 378 C CYS 1 29 6.105 7.425 8.191 1.00 0.00 C ATOM 379 O CYS 1 29 5.969 7.495 9.412 1.00 0.00 O ATOM 380 CB CYS 1 29 4.310 6.257 6.874 1.00 0.00 C ATOM 381 SG CYS 1 29 3.152 7.262 7.866 1.00 0.00 S ATOM 0 H CYS 1 29 6.045 5.133 9.232 1.00 0.00 H new ATOM 0 HA CYS 1 29 6.432 6.089 6.584 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 4.352 6.670 5.866 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.907 5.248 6.788 1.00 0.00 H new ATOM 386 N ASN 1 30 6.584 8.411 7.449 1.00 0.00 N ATOM 387 CA ASN 1 30 6.995 9.676 8.022 1.00 0.00 C ATOM 388 C ASN 1 30 6.103 10.816 7.583 1.00 0.00 C ATOM 389 O ASN 1 30 6.106 11.216 6.416 1.00 0.00 O ATOM 390 CB ASN 1 30 8.423 9.982 7.619 1.00 0.00 C ATOM 391 CG ASN 1 30 9.297 10.328 8.802 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.011 11.257 9.556 1.00 0.00 O ATOM 393 ND2 ASN 1 30 10.371 9.575 8.966 1.00 0.00 N ATOM 0 H ASN 1 30 6.697 8.354 6.437 1.00 0.00 H new ATOM 0 HA ASN 1 30 6.916 9.582 9.105 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.843 9.120 7.101 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.428 10.812 6.913 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 11.005 9.753 9.745 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 10.566 8.815 8.314 1.00 0.00 H new ATOM 400 N ALA 1 31 5.387 11.367 8.543 1.00 0.00 N ATOM 401 CA ALA 1 31 4.532 12.506 8.294 1.00 0.00 C ATOM 402 C ALA 1 31 5.380 13.771 8.287 1.00 0.00 C ATOM 403 O ALA 1 31 4.898 14.861 7.983 1.00 0.00 O ATOM 404 CB ALA 1 31 3.448 12.590 9.358 1.00 0.00 C ATOM 0 H ALA 1 31 5.382 11.040 9.509 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.045 12.396 7.325 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 2.810 13.451 9.160 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 2.847 11.681 9.337 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 3.909 12.698 10.340 1.00 0.00 H new ATOM 410 N ALA 1 32 6.655 13.607 8.643 1.00 0.00 N ATOM 411 CA ALA 1 32 7.584 14.724 8.702 1.00 0.00 C ATOM 412 C ALA 1 32 8.518 14.767 7.491 1.00 0.00 C ATOM 413 O ALA 1 32 8.832 15.845 6.988 1.00 0.00 O ATOM 414 CB ALA 1 32 8.375 14.656 9.996 1.00 0.00 C ATOM 0 H ALA 1 32 7.064 12.707 8.894 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.005 15.647 8.678 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.072 15.493 10.041 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.691 14.707 10.843 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 8.931 13.719 10.034 1.00 0.00 H new ATOM 420 N THR 1 33 8.958 13.601 7.016 1.00 0.00 N ATOM 421 CA THR 1 33 9.850 13.552 5.856 1.00 0.00 C ATOM 422 C THR 1 33 9.061 13.416 4.559 1.00 0.00 C ATOM 423 O THR 1 33 9.635 13.434 3.470 1.00 0.00 O ATOM 424 CB THR 1 33 10.851 12.402 5.965 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.233 11.229 6.435 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.012 12.704 6.883 1.00 0.00 C ATOM 0 H THR 1 33 8.716 12.691 7.409 1.00 0.00 H new ATOM 0 HA THR 1 33 10.400 14.493 5.841 1.00 0.00 H new ATOM 0 HB THR 1 33 11.230 12.264 4.952 1.00 0.00 H new ATOM 0 HG1 THR 1 33 10.897 10.510 6.493 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.684 11.846 6.914 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.553 13.575 6.512 1.00 0.00 H new ATOM 0 HG23 THR 1 33 11.639 12.909 7.886 1.00 0.00 H new ATOM 434 N CYS 1 34 7.744 13.294 4.681 1.00 0.00 N ATOM 435 CA CYS 1 34 6.872 13.174 3.523 1.00 0.00 C ATOM 436 C CYS 1 34 7.075 11.842 2.789 1.00 0.00 C ATOM 437 O CYS 1 34 6.982 11.783 1.568 1.00 0.00 O ATOM 438 CB CYS 1 34 7.084 14.385 2.586 1.00 0.00 C ATOM 439 SG CYS 1 34 6.644 14.137 0.827 1.00 0.00 S ATOM 0 H CYS 1 34 7.256 13.276 5.577 1.00 0.00 H new ATOM 0 HA CYS 1 34 5.838 13.177 3.866 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 6.500 15.221 2.970 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 8.132 14.678 2.638 1.00 0.00 H new ATOM 444 N LYS 1 35 7.339 10.755 3.519 1.00 0.00 N ATOM 445 CA LYS 1 35 7.517 9.472 2.852 1.00 0.00 C ATOM 446 C LYS 1 35 7.545 8.309 3.825 1.00 0.00 C ATOM 447 O LYS 1 35 7.882 8.463 4.999 1.00 0.00 O ATOM 448 CB LYS 1 35 8.800 9.472 2.029 1.00 0.00 C ATOM 449 CG LYS 1 35 8.567 9.655 0.538 1.00 0.00 C ATOM 450 CD LYS 1 35 8.722 8.343 -0.213 1.00 0.00 C ATOM 451 CE LYS 1 35 10.161 8.117 -0.649 1.00 0.00 C ATOM 452 NZ LYS 1 35 10.870 7.164 0.249 1.00 0.00 N ATOM 0 H LYS 1 35 7.431 10.738 4.535 1.00 0.00 H new ATOM 0 HA LYS 1 35 6.655 9.339 2.198 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.451 10.269 2.387 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.327 8.532 2.193 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.567 10.056 0.371 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 9.273 10.386 0.145 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.400 7.518 0.423 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.072 8.344 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 10.175 7.734 -1.669 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 10.691 9.069 -0.659 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 11.800 6.932 -0.156 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 10.999 7.599 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.308 6.294 0.346 1.00 0.00 H new ATOM 466 N LEU 1 36 7.207 7.134 3.306 1.00 0.00 N ATOM 467 CA LEU 1 36 7.209 5.915 4.103 1.00 0.00 C ATOM 468 C LEU 1 36 8.564 5.740 4.786 1.00 0.00 C ATOM 469 O LEU 1 36 9.556 6.335 4.365 1.00 0.00 O ATOM 470 CB LEU 1 36 6.901 4.702 3.222 1.00 0.00 C ATOM 471 CG LEU 1 36 7.756 4.586 1.957 1.00 0.00 C ATOM 472 CD1 LEU 1 36 8.183 3.143 1.730 1.00 0.00 C ATOM 473 CD2 LEU 1 36 6.998 5.116 0.749 1.00 0.00 C ATOM 0 H LEU 1 36 6.928 7.001 2.334 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.435 5.994 4.867 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.034 3.798 3.816 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 5.851 4.741 2.930 1.00 0.00 H new ATOM 0 HG LEU 1 36 8.652 5.191 2.092 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 8.790 3.081 0.827 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 8.767 2.798 2.583 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.299 2.515 1.617 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 7.622 5.025 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 6.084 4.539 0.611 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 6.745 6.164 0.909 1.00 0.00 H new ATOM 485 N THR 1 37 8.606 4.938 5.843 1.00 0.00 N ATOM 486 CA THR 1 37 9.851 4.718 6.571 1.00 0.00 C ATOM 487 C THR 1 37 10.532 3.421 6.144 1.00 0.00 C ATOM 488 O THR 1 37 9.897 2.529 5.583 1.00 0.00 O ATOM 489 CB THR 1 37 9.590 4.696 8.076 1.00 0.00 C ATOM 490 OG1 THR 1 37 8.481 3.873 8.382 1.00 0.00 O ATOM 491 CG2 THR 1 37 9.316 6.066 8.648 1.00 0.00 C ATOM 0 H THR 1 37 7.801 4.433 6.213 1.00 0.00 H new ATOM 0 HA THR 1 37 10.520 5.544 6.332 1.00 0.00 H new ATOM 0 HB THR 1 37 10.503 4.305 8.524 1.00 0.00 H new ATOM 0 HG1 THR 1 37 8.332 3.872 9.351 1.00 0.00 H new ATOM 0 HG21 THR 1 37 9.138 5.984 9.720 1.00 0.00 H new ATOM 0 HG22 THR 1 37 10.175 6.713 8.471 1.00 0.00 H new ATOM 0 HG23 THR 1 37 8.436 6.492 8.166 1.00 0.00 H new ATOM 499 N PRO 1 38 11.847 3.305 6.412 1.00 0.00 N ATOM 500 CA PRO 1 38 12.631 2.118 6.063 1.00 0.00 C ATOM 501 C PRO 1 38 11.888 0.818 6.350 1.00 0.00 C ATOM 502 O PRO 1 38 11.153 0.714 7.332 1.00 0.00 O ATOM 503 CB PRO 1 38 13.853 2.250 6.968 1.00 0.00 C ATOM 504 CG PRO 1 38 14.053 3.719 7.102 1.00 0.00 C ATOM 505 CD PRO 1 38 12.675 4.330 7.083 1.00 0.00 C ATOM 0 HA PRO 1 38 12.863 2.072 4.999 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.683 1.781 7.937 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.727 1.768 6.530 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 14.573 3.959 8.029 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.663 4.106 6.285 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 12.315 4.539 8.091 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 12.663 5.274 6.538 1.00 0.00 H new ATOM 513 N GLY 1 39 12.082 -0.170 5.483 1.00 0.00 N ATOM 514 CA GLY 1 39 11.420 -1.449 5.657 1.00 0.00 C ATOM 515 C GLY 1 39 10.117 -1.534 4.885 1.00 0.00 C ATOM 516 O GLY 1 39 9.637 -2.626 4.584 1.00 0.00 O ATOM 0 H GLY 1 39 12.686 -0.108 4.663 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 12.086 -2.247 5.330 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.223 -1.612 6.717 1.00 0.00 H new ATOM 520 N SER 1 40 9.544 -0.377 4.564 1.00 0.00 N ATOM 521 CA SER 1 40 8.291 -0.324 3.824 1.00 0.00 C ATOM 522 C SER 1 40 8.539 -0.470 2.325 1.00 0.00 C ATOM 523 O SER 1 40 9.112 0.416 1.691 1.00 0.00 O ATOM 524 CB SER 1 40 7.562 0.991 4.110 1.00 0.00 C ATOM 525 OG SER 1 40 6.358 1.079 3.368 1.00 0.00 O ATOM 0 H SER 1 40 9.929 0.536 4.806 1.00 0.00 H new ATOM 0 HA SER 1 40 7.666 -1.155 4.152 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.342 1.064 5.175 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.209 1.831 3.859 1.00 0.00 H new ATOM 0 HG SER 1 40 5.714 1.634 3.855 1.00 0.00 H new ATOM 531 N GLN 1 41 8.105 -1.596 1.766 1.00 0.00 N ATOM 532 CA GLN 1 41 8.282 -1.861 0.343 1.00 0.00 C ATOM 533 C GLN 1 41 7.342 -1.001 -0.493 1.00 0.00 C ATOM 534 O GLN 1 41 7.716 -0.508 -1.557 1.00 0.00 O ATOM 535 CB GLN 1 41 8.034 -3.342 0.043 1.00 0.00 C ATOM 536 CG GLN 1 41 9.295 -4.189 0.079 1.00 0.00 C ATOM 537 CD GLN 1 41 9.883 -4.417 -1.300 1.00 0.00 C ATOM 538 OE1 GLN 1 41 9.890 -3.373 -2.120 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 10.328 -5.519 -1.624 1.00 0.00 N flip ATOM 0 H GLN 1 41 7.628 -2.339 2.277 1.00 0.00 H new ATOM 0 HA GLN 1 41 9.309 -1.609 0.079 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 7.321 -3.736 0.767 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 7.573 -3.433 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 10.038 -3.702 0.711 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 9.069 -5.152 0.537 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 10.302 -6.294 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 10.722 -5.656 -2.555 1.00 0.00 H new ATOM 548 N CYS 1 42 6.119 -0.828 -0.006 1.00 0.00 N ATOM 549 CA CYS 1 42 5.124 -0.031 -0.711 1.00 0.00 C ATOM 550 C CYS 1 42 4.281 0.780 0.264 1.00 0.00 C ATOM 551 O CYS 1 42 3.911 0.296 1.334 1.00 0.00 O ATOM 552 CB CYS 1 42 4.223 -0.934 -1.551 1.00 0.00 C ATOM 553 SG CYS 1 42 2.955 -0.037 -2.501 1.00 0.00 S ATOM 0 H CYS 1 42 5.793 -1.229 0.874 1.00 0.00 H new ATOM 0 HA CYS 1 42 5.651 0.662 -1.368 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 4.842 -1.507 -2.241 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 3.731 -1.651 -0.894 1.00 0.00 H new ATOM 558 N ASN 1 43 3.977 2.014 -0.117 1.00 0.00 N ATOM 559 CA ASN 1 43 3.173 2.893 0.719 1.00 0.00 C ATOM 560 C ASN 1 43 1.717 2.449 0.715 1.00 0.00 C ATOM 561 O ASN 1 43 1.037 2.494 1.741 1.00 0.00 O ATOM 562 CB ASN 1 43 3.280 4.338 0.225 1.00 0.00 C ATOM 563 CG ASN 1 43 2.998 4.464 -1.259 1.00 0.00 C ATOM 564 OD1 ASN 1 43 1.881 4.218 -1.714 1.00 0.00 O ATOM 565 ND2 ASN 1 43 4.014 4.850 -2.023 1.00 0.00 N ATOM 0 H ASN 1 43 4.276 2.428 -1.000 1.00 0.00 H new ATOM 0 HA ASN 1 43 3.552 2.838 1.740 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 2.579 4.961 0.779 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 4.280 4.718 0.436 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 3.885 4.953 -3.030 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 4.923 5.043 -1.603 1.00 0.00 H new ATOM 572 N TYR 1 44 1.251 2.016 -0.449 1.00 0.00 N ATOM 573 CA TYR 1 44 -0.122 1.554 -0.607 1.00 0.00 C ATOM 574 C TYR 1 44 -0.361 1.087 -2.038 1.00 0.00 C ATOM 575 O TYR 1 44 0.440 1.360 -2.931 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.112 2.666 -0.245 1.00 0.00 C ATOM 577 CG TYR 1 44 -1.169 3.785 -1.261 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -1.747 3.586 -2.510 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -0.641 5.036 -0.974 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -1.796 4.601 -3.442 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -0.686 6.059 -1.900 1.00 0.00 C ATOM 582 CZ TYR 1 44 -1.264 5.837 -3.134 1.00 0.00 C ATOM 583 OH TYR 1 44 -1.311 6.853 -4.061 1.00 0.00 O ATOM 0 H TYR 1 44 1.808 1.975 -1.303 1.00 0.00 H new ATOM 0 HA TYR 1 44 -0.281 0.715 0.070 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -2.107 2.234 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.839 3.082 0.725 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -2.164 2.620 -2.754 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -0.187 5.212 -0.010 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -2.248 4.430 -4.408 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -0.272 7.027 -1.661 1.00 0.00 H new ATOM 0 HH TYR 1 44 -0.895 7.657 -3.686 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.467 0.385 -2.253 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.783 -0.101 -3.581 1.00 0.00 C ATOM 595 C GLY 1 45 -2.355 -1.502 -3.569 1.00 0.00 C ATOM 596 O GLY 1 45 -2.640 -2.058 -2.508 1.00 0.00 O ATOM 0 H GLY 1 45 -2.148 0.145 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -2.498 0.575 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.881 -0.086 -4.193 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.525 -2.073 -4.755 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.072 -3.418 -4.890 1.00 0.00 C ATOM 602 C GLU 1 46 -2.243 -4.434 -4.112 1.00 0.00 C ATOM 603 O GLU 1 46 -2.786 -5.283 -3.405 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.118 -3.816 -6.363 1.00 0.00 C ATOM 605 CG GLU 1 46 -4.336 -3.281 -7.100 1.00 0.00 C ATOM 606 CD GLU 1 46 -3.969 -2.501 -8.348 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.851 -1.947 -8.394 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -4.801 -2.444 -9.278 1.00 0.00 O ATOM 0 H GLU 1 46 -2.291 -1.624 -5.640 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.081 -3.413 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.217 -3.454 -6.857 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.107 -4.903 -6.438 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -4.984 -4.113 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.908 -2.639 -6.430 1.00 0.00 H new ATOM 615 N CYS 1 47 -0.927 -4.348 -4.258 1.00 0.00 N ATOM 616 CA CYS 1 47 -0.019 -5.266 -3.582 1.00 0.00 C ATOM 617 C CYS 1 47 0.677 -4.589 -2.409 1.00 0.00 C ATOM 618 O CYS 1 47 1.856 -4.828 -2.162 1.00 0.00 O ATOM 619 CB CYS 1 47 1.034 -5.770 -4.567 1.00 0.00 C ATOM 620 SG CYS 1 47 0.537 -7.249 -5.495 1.00 0.00 S ATOM 0 H CYS 1 47 -0.464 -3.650 -4.840 1.00 0.00 H new ATOM 0 HA CYS 1 47 -0.607 -6.102 -3.202 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 1.266 -4.973 -5.273 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 1.951 -5.989 -4.021 1.00 0.00 H new ATOM 625 N CYS 1 48 -0.040 -3.734 -1.694 1.00 0.00 N ATOM 626 CA CYS 1 48 0.556 -3.029 -0.567 1.00 0.00 C ATOM 627 C CYS 1 48 -0.331 -3.084 0.670 1.00 0.00 C ATOM 628 O CYS 1 48 -1.500 -2.699 0.633 1.00 0.00 O ATOM 629 CB CYS 1 48 0.839 -1.579 -0.954 1.00 0.00 C ATOM 630 SG CYS 1 48 1.440 -1.376 -2.665 1.00 0.00 S ATOM 0 H CYS 1 48 -1.020 -3.513 -1.870 1.00 0.00 H new ATOM 0 HA CYS 1 48 1.492 -3.528 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -0.072 -0.995 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 1.579 -1.168 -0.268 1.00 0.00 H new ATOM 635 N ASP 1 49 0.246 -3.559 1.768 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.467 -3.664 3.034 1.00 0.00 C ATOM 637 C ASP 1 49 0.460 -3.311 4.192 1.00 0.00 C ATOM 638 O ASP 1 49 1.496 -3.950 4.384 1.00 0.00 O ATOM 639 CB ASP 1 49 -1.021 -5.078 3.218 1.00 0.00 C ATOM 640 CG ASP 1 49 -2.302 -5.096 4.030 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.234 -4.848 5.252 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -3.373 -5.357 3.443 1.00 0.00 O ATOM 0 H ASP 1 49 1.214 -3.880 1.805 1.00 0.00 H new ATOM 0 HA ASP 1 49 -1.300 -2.961 3.022 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -1.208 -5.522 2.240 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -0.272 -5.697 3.712 1.00 0.00 H new ATOM 647 N GLN 1 50 0.089 -2.285 4.953 1.00 0.00 N ATOM 648 CA GLN 1 50 0.894 -1.839 6.086 1.00 0.00 C ATOM 649 C GLN 1 50 2.215 -1.244 5.605 1.00 0.00 C ATOM 650 O GLN 1 50 2.440 -0.038 5.714 1.00 0.00 O ATOM 651 CB GLN 1 50 1.160 -3.001 7.048 1.00 0.00 C ATOM 652 CG GLN 1 50 1.750 -2.564 8.380 1.00 0.00 C ATOM 653 CD GLN 1 50 1.003 -3.143 9.566 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -0.175 -3.484 9.467 1.00 0.00 O ATOM 655 NE2 GLN 1 50 1.688 -3.255 10.699 1.00 0.00 N ATOM 0 H GLN 1 50 -0.765 -1.747 4.805 1.00 0.00 H new ATOM 0 HA GLN 1 50 0.336 -1.067 6.616 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.226 -3.532 7.230 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 1.841 -3.707 6.573 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 2.795 -2.870 8.429 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 1.734 -1.476 8.441 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 2.664 -2.960 10.736 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 1.238 -3.636 11.531 1.00 0.00 H new ATOM 664 N CYS 1 51 3.080 -2.096 5.066 1.00 0.00 N ATOM 665 CA CYS 1 51 4.376 -1.659 4.557 1.00 0.00 C ATOM 666 C CYS 1 51 5.150 -2.833 3.965 1.00 0.00 C ATOM 667 O CYS 1 51 6.369 -2.926 4.113 1.00 0.00 O ATOM 668 CB CYS 1 51 5.202 -0.982 5.659 1.00 0.00 C ATOM 669 SG CYS 1 51 4.833 -1.547 7.353 1.00 0.00 S ATOM 0 H CYS 1 51 2.907 -3.097 4.970 1.00 0.00 H new ATOM 0 HA CYS 1 51 4.193 -0.929 3.768 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 6.259 -1.153 5.457 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 5.037 0.094 5.607 1.00 0.00 H new ATOM 674 N ARG 1 52 4.434 -3.726 3.288 1.00 0.00 N ATOM 675 CA ARG 1 52 5.051 -4.894 2.666 1.00 0.00 C ATOM 676 C ARG 1 52 4.198 -5.402 1.508 1.00 0.00 C ATOM 677 O ARG 1 52 2.973 -5.281 1.531 1.00 0.00 O ATOM 678 CB ARG 1 52 5.245 -6.006 3.699 1.00 0.00 C ATOM 679 CG ARG 1 52 6.468 -6.870 3.440 1.00 0.00 C ATOM 680 CD ARG 1 52 7.625 -6.491 4.350 1.00 0.00 C ATOM 681 NE ARG 1 52 8.607 -5.652 3.668 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.855 -5.473 4.097 1.00 0.00 C ATOM 683 NH1 ARG 1 52 10.275 -6.070 5.205 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.684 -4.694 3.415 1.00 0.00 N ATOM 0 H ARG 1 52 3.425 -3.663 3.156 1.00 0.00 H new ATOM 0 HA ARG 1 52 6.025 -4.598 2.276 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 5.329 -5.559 4.690 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.358 -6.640 3.709 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.212 -7.918 3.593 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 6.774 -6.765 2.399 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 7.241 -5.963 5.223 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 8.112 -7.396 4.713 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.320 -5.175 2.813 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 9.641 -6.670 5.733 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 11.232 -5.929 5.529 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.365 -4.233 2.563 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.640 -4.556 3.743 1.00 0.00 H new ATOM 698 N PHE 1 53 4.848 -5.968 0.494 1.00 0.00 N ATOM 699 CA PHE 1 53 4.131 -6.487 -0.666 1.00 0.00 C ATOM 700 C PHE 1 53 3.263 -7.672 -0.280 1.00 0.00 C ATOM 701 O PHE 1 53 3.691 -8.553 0.466 1.00 0.00 O ATOM 702 CB PHE 1 53 5.103 -6.897 -1.778 1.00 0.00 C ATOM 703 CG PHE 1 53 5.715 -5.729 -2.490 1.00 0.00 C ATOM 704 CD1 PHE 1 53 4.935 -4.646 -2.847 1.00 0.00 C ATOM 705 CD2 PHE 1 53 7.064 -5.712 -2.800 1.00 0.00 C ATOM 706 CE1 PHE 1 53 5.482 -3.565 -3.499 1.00 0.00 C ATOM 707 CE2 PHE 1 53 7.622 -4.630 -3.456 1.00 0.00 C ATOM 708 CZ PHE 1 53 6.829 -3.554 -3.806 1.00 0.00 C ATOM 0 H PHE 1 53 5.861 -6.078 0.452 1.00 0.00 H new ATOM 0 HA PHE 1 53 3.491 -5.688 -1.040 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 5.897 -7.509 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 4.576 -7.519 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 3.881 -4.648 -2.611 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 7.686 -6.551 -2.527 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 4.859 -2.726 -3.771 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 8.675 -4.626 -3.694 1.00 0.00 H new ATOM 0 HZ PHE 1 53 7.261 -2.707 -4.318 1.00 0.00 H new ATOM 718 N LYS 1 54 2.041 -7.691 -0.795 1.00 0.00 N ATOM 719 CA LYS 1 54 1.116 -8.776 -0.504 1.00 0.00 C ATOM 720 C LYS 1 54 1.683 -10.103 -0.997 1.00 0.00 C ATOM 721 O LYS 1 54 1.644 -10.397 -2.188 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.243 -8.506 -1.153 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.313 -8.082 -0.160 1.00 0.00 C ATOM 724 CD LYS 1 54 -2.355 -7.187 -0.810 1.00 0.00 C ATOM 725 CE LYS 1 54 -3.730 -7.408 -0.204 1.00 0.00 C ATOM 726 NZ LYS 1 54 -4.816 -7.218 -1.204 1.00 0.00 N ATOM 0 H LYS 1 54 1.669 -6.970 -1.414 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.980 -8.835 0.576 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.129 -7.727 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.575 -9.406 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.798 -8.966 0.253 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -0.849 -7.555 0.674 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.066 -6.143 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -2.391 -7.386 -1.881 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.788 -8.416 0.207 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -3.876 -6.717 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -5.738 -7.378 -0.750 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -4.778 -6.248 -1.578 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -4.692 -7.895 -1.984 1.00 0.00 H new ATOM 740 N LYS 1 55 2.220 -10.895 -0.070 1.00 0.00 N ATOM 741 CA LYS 1 55 2.812 -12.194 -0.399 1.00 0.00 C ATOM 742 C LYS 1 55 2.144 -12.827 -1.618 1.00 0.00 C ATOM 743 O LYS 1 55 0.918 -12.965 -1.666 1.00 0.00 O ATOM 744 CB LYS 1 55 2.708 -13.140 0.798 1.00 0.00 C ATOM 745 CG LYS 1 55 3.362 -14.492 0.564 1.00 0.00 C ATOM 746 CD LYS 1 55 3.440 -15.303 1.848 1.00 0.00 C ATOM 747 CE LYS 1 55 4.339 -16.517 1.685 1.00 0.00 C ATOM 748 NZ LYS 1 55 3.563 -17.742 1.347 1.00 0.00 N ATOM 0 H LYS 1 55 2.258 -10.659 0.922 1.00 0.00 H new ATOM 0 HA LYS 1 55 3.861 -12.025 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.170 -12.668 1.665 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 1.656 -13.292 1.040 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 2.796 -15.047 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 4.365 -14.348 0.162 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 3.818 -14.674 2.654 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 2.440 -15.626 2.137 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 5.071 -16.324 0.901 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 4.896 -16.683 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 4.213 -18.547 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 2.881 -17.942 2.107 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 3.052 -17.594 0.453 1.00 0.00 H new ATOM 762 N ALA 1 56 2.959 -13.202 -2.606 1.00 0.00 N ATOM 763 CA ALA 1 56 2.448 -13.815 -3.826 1.00 0.00 C ATOM 764 C ALA 1 56 1.341 -14.806 -3.509 1.00 0.00 C ATOM 765 O ALA 1 56 1.502 -15.683 -2.661 1.00 0.00 O ATOM 766 CB ALA 1 56 3.560 -14.507 -4.591 1.00 0.00 C ATOM 0 H ALA 1 56 3.973 -13.091 -2.582 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.038 -13.021 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.153 -14.956 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.325 -13.778 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.002 -15.284 -3.967 1.00 0.00 H new ATOM 772 N GLY 1 57 0.213 -14.645 -4.176 1.00 0.00 N ATOM 773 CA GLY 1 57 -0.915 -15.520 -3.929 1.00 0.00 C ATOM 774 C GLY 1 57 -2.092 -14.761 -3.356 1.00 0.00 C ATOM 775 O GLY 1 57 -3.198 -15.292 -3.261 1.00 0.00 O ATOM 0 H GLY 1 57 0.055 -13.927 -4.883 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -1.211 -16.004 -4.859 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -0.619 -16.310 -3.239 1.00 0.00 H new ATOM 779 N THR 1 58 -1.854 -13.504 -2.987 1.00 0.00 N ATOM 780 CA THR 1 58 -2.901 -12.656 -2.441 1.00 0.00 C ATOM 781 C THR 1 58 -3.754 -12.082 -3.569 1.00 0.00 C ATOM 782 O THR 1 58 -3.320 -11.178 -4.283 1.00 0.00 O ATOM 783 CB THR 1 58 -2.283 -11.515 -1.631 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.524 -12.021 -0.547 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.309 -10.560 -1.068 1.00 0.00 C ATOM 0 H THR 1 58 -0.942 -13.053 -3.058 1.00 0.00 H new ATOM 0 HA THR 1 58 -3.533 -13.258 -1.787 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.651 -10.971 -2.333 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.668 -12.363 -0.879 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.805 -9.775 -0.505 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.877 -10.113 -1.884 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.987 -11.102 -0.408 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.966 -12.606 -3.731 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.855 -12.127 -4.781 1.00 0.00 C ATOM 795 C VAL 1 59 -6.228 -10.668 -4.546 1.00 0.00 C ATOM 796 O VAL 1 59 -6.872 -10.336 -3.551 1.00 0.00 O ATOM 797 CB VAL 1 59 -7.150 -12.964 -4.874 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.918 -12.912 -3.562 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -8.019 -12.483 -6.031 1.00 0.00 C ATOM 0 H VAL 1 59 -5.351 -13.354 -3.154 1.00 0.00 H new ATOM 0 HA VAL 1 59 -5.310 -12.227 -5.720 1.00 0.00 H new ATOM 0 HB VAL 1 59 -6.875 -14.001 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -8.827 -13.508 -3.648 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -7.297 -13.312 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -8.182 -11.879 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -8.926 -13.085 -6.080 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -8.285 -11.437 -5.876 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -7.467 -12.582 -6.966 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.826 -9.802 -5.467 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.131 -8.379 -5.351 1.00 0.00 C ATOM 811 C CYS 1 60 -7.246 -7.982 -6.311 1.00 0.00 C ATOM 812 O CYS 1 60 -7.957 -7.003 -6.083 1.00 0.00 O ATOM 813 CB CYS 1 60 -4.891 -7.530 -5.635 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.338 -8.221 -4.986 1.00 0.00 S ATOM 0 H CYS 1 60 -5.292 -10.056 -6.298 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.460 -8.197 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -4.794 -7.401 -6.713 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.039 -6.538 -5.207 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.382 -8.740 -7.392 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.396 -8.464 -8.402 1.00 0.00 C ATOM 821 C ARG 1 61 -8.801 -9.737 -9.134 1.00 0.00 C ATOM 822 O ARG 1 61 -8.320 -10.828 -8.825 1.00 0.00 O ATOM 823 CB ARG 1 61 -7.882 -7.435 -9.414 1.00 0.00 C ATOM 824 CG ARG 1 61 -7.037 -6.335 -8.794 1.00 0.00 C ATOM 825 CD ARG 1 61 -6.598 -5.311 -9.830 1.00 0.00 C ATOM 826 NE ARG 1 61 -5.771 -5.905 -10.880 1.00 0.00 N ATOM 827 CZ ARG 1 61 -4.888 -5.222 -11.606 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -4.715 -3.921 -11.407 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -4.179 -5.842 -12.540 1.00 0.00 N ATOM 0 H ARG 1 61 -6.800 -9.554 -7.592 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.270 -8.061 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.293 -7.949 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.733 -6.983 -9.923 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -7.606 -5.837 -8.009 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -6.158 -6.774 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -7.478 -4.852 -10.280 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -6.040 -4.515 -9.337 1.00 0.00 H new ATOM 0 HE ARG 1 61 -5.877 -6.902 -11.067 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -5.260 -3.437 -10.694 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -4.037 -3.405 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -4.311 -6.841 -12.701 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -3.502 -5.320 -13.097 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.677 -9.583 -10.113 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.140 -10.703 -10.913 1.00 0.00 C ATOM 845 C ILE 1 62 -11.127 -10.227 -11.964 1.00 0.00 C ATOM 846 O ILE 1 62 -11.996 -9.399 -11.693 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.775 -11.811 -10.048 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -11.021 -13.077 -10.880 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -12.059 -11.328 -9.390 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -12.142 -12.952 -11.887 1.00 0.00 C ATOM 0 H ILE 1 62 -10.084 -8.685 -10.374 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.268 -11.133 -11.405 1.00 0.00 H new ATOM 0 HB ILE 1 62 -10.072 -12.061 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -10.102 -13.336 -11.407 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.245 -13.903 -10.205 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.483 -12.131 -8.787 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.841 -10.471 -8.752 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.774 -11.035 -10.159 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -12.248 -13.890 -12.431 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -13.074 -12.726 -11.368 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -11.913 -12.150 -12.588 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.969 -10.749 -13.167 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.829 -10.376 -14.285 1.00 0.00 C ATOM 864 C ALA 1 63 -13.312 -10.580 -13.944 1.00 0.00 C ATOM 865 O ALA 1 63 -13.893 -9.765 -13.228 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.419 -11.129 -15.544 1.00 0.00 C ATOM 0 H ALA 1 63 -10.251 -11.436 -13.399 1.00 0.00 H new ATOM 0 HA ALA 1 63 -11.700 -9.311 -14.480 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -12.070 -10.840 -16.369 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.386 -10.885 -15.794 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.507 -12.202 -15.371 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.932 -11.652 -14.444 1.00 0.00 N ATOM 873 CA ARG 1 64 -15.344 -11.899 -14.152 1.00 0.00 C ATOM 874 C ARG 1 64 -15.625 -13.384 -13.950 1.00 0.00 C ATOM 875 O ARG 1 64 -16.022 -14.080 -14.882 1.00 0.00 O ATOM 876 CB ARG 1 64 -16.219 -11.355 -15.282 1.00 0.00 C ATOM 877 CG ARG 1 64 -16.425 -9.850 -15.222 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.336 -9.459 -14.069 1.00 0.00 C ATOM 879 NE ARG 1 64 -17.067 -8.104 -13.594 1.00 0.00 N ATOM 880 CZ ARG 1 64 -17.806 -7.478 -12.681 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.859 -8.080 -12.143 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -17.491 -6.246 -12.305 1.00 0.00 N ATOM 0 H ARG 1 64 -13.488 -12.350 -15.041 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.584 -11.381 -13.223 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.765 -11.613 -16.239 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -17.191 -11.848 -15.247 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -15.461 -9.354 -15.110 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -16.855 -9.503 -16.161 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -18.376 -9.532 -14.388 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.204 -10.164 -13.248 1.00 0.00 H new ATOM 0 HE ARG 1 64 -16.266 -7.608 -13.985 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -19.106 -9.028 -12.429 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -19.422 -7.595 -11.444 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -16.683 -5.778 -12.715 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -18.057 -5.766 -11.605 1.00 0.00 H new ATOM 896 N GLY 1 65 -15.438 -13.863 -12.727 1.00 0.00 N ATOM 897 CA GLY 1 65 -15.687 -15.261 -12.439 1.00 0.00 C ATOM 898 C GLY 1 65 -14.538 -15.910 -11.701 1.00 0.00 C ATOM 899 O GLY 1 65 -14.337 -15.666 -10.511 1.00 0.00 O ATOM 0 H GLY 1 65 -15.119 -13.310 -11.932 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -16.595 -15.350 -11.843 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -15.864 -15.796 -13.372 1.00 0.00 H new ATOM 903 N ASP 1 66 -13.777 -16.733 -12.411 1.00 0.00 N ATOM 904 CA ASP 1 66 -12.634 -17.414 -11.819 1.00 0.00 C ATOM 905 C ASP 1 66 -11.922 -18.290 -12.843 1.00 0.00 C ATOM 906 O ASP 1 66 -12.234 -19.471 -12.996 1.00 0.00 O ATOM 907 CB ASP 1 66 -13.074 -18.260 -10.622 1.00 0.00 C ATOM 908 CG ASP 1 66 -14.200 -19.213 -10.970 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -15.371 -18.779 -10.956 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -13.911 -20.394 -11.258 1.00 0.00 O ATOM 0 H ASP 1 66 -13.931 -16.945 -13.397 1.00 0.00 H new ATOM 0 HA ASP 1 66 -11.935 -16.651 -11.477 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -12.222 -18.829 -10.250 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -13.395 -17.602 -9.814 1.00 0.00 H new ATOM 915 N TRP 1 67 -10.960 -17.696 -13.537 1.00 0.00 N ATOM 916 CA TRP 1 67 -10.184 -18.404 -14.551 1.00 0.00 C ATOM 917 C TRP 1 67 -8.708 -18.385 -14.189 1.00 0.00 C ATOM 918 O TRP 1 67 -8.117 -19.409 -13.848 1.00 0.00 O ATOM 919 CB TRP 1 67 -10.383 -17.758 -15.928 1.00 0.00 C ATOM 920 CG TRP 1 67 -11.196 -16.501 -15.891 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -10.836 -15.294 -15.358 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -12.513 -16.333 -16.410 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -11.858 -14.395 -15.508 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -12.896 -15.007 -16.154 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -13.407 -17.179 -17.066 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -14.132 -14.506 -16.531 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -14.639 -16.681 -17.444 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -14.993 -15.353 -17.175 1.00 0.00 C ATOM 0 H TRP 1 67 -10.696 -16.718 -13.416 1.00 0.00 H new ATOM 0 HA TRP 1 67 -10.532 -19.436 -14.590 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -9.407 -17.537 -16.360 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -10.869 -18.475 -16.589 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -9.887 -15.082 -14.889 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -11.847 -13.426 -15.189 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -13.141 -18.205 -17.275 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -14.406 -13.482 -16.324 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -15.339 -17.325 -17.954 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -15.963 -14.991 -17.481 1.00 0.00 H new ATOM 939 N ASN 1 68 -8.132 -17.197 -14.266 1.00 0.00 N ATOM 940 CA ASN 1 68 -6.727 -16.991 -13.950 1.00 0.00 C ATOM 941 C ASN 1 68 -6.591 -16.283 -12.608 1.00 0.00 C ATOM 942 O ASN 1 68 -5.639 -16.514 -11.862 1.00 0.00 O ATOM 943 CB ASN 1 68 -6.052 -16.164 -15.047 1.00 0.00 C ATOM 944 CG ASN 1 68 -6.596 -16.476 -16.430 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -7.782 -15.955 -16.733 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -5.959 -17.176 -17.217 1.00 0.00 N flip ATOM 0 H ASN 1 68 -8.623 -16.349 -14.549 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.237 -17.963 -13.890 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -6.192 -15.104 -14.836 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.979 -16.353 -15.031 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -5.053 -17.556 -16.943 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -6.338 -17.376 -18.143 1.00 0.00 H new ATOM 953 N ASP 1 69 -7.561 -15.423 -12.308 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.571 -14.678 -11.056 1.00 0.00 C ATOM 955 C ASP 1 69 -6.359 -13.766 -10.946 1.00 0.00 C ATOM 956 O ASP 1 69 -5.261 -14.119 -11.375 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.600 -15.637 -9.868 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.998 -16.135 -9.558 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.642 -16.700 -10.467 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.450 -15.959 -8.407 1.00 0.00 O ATOM 0 H ASP 1 69 -8.353 -15.226 -12.920 1.00 0.00 H new ATOM 0 HA ASP 1 69 -8.469 -14.060 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -6.952 -16.489 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -7.194 -15.135 -8.990 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.562 -12.595 -10.355 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.480 -11.640 -10.176 1.00 0.00 C ATOM 967 C ASP 1 70 -4.775 -11.894 -8.856 1.00 0.00 C ATOM 968 O ASP 1 70 -5.401 -11.874 -7.797 1.00 0.00 O ATOM 969 CB ASP 1 70 -6.010 -10.208 -10.218 1.00 0.00 C ATOM 970 CG ASP 1 70 -4.910 -9.194 -10.426 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.916 -9.245 -9.676 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.041 -8.352 -11.339 1.00 0.00 O ATOM 0 H ASP 1 70 -7.464 -12.286 -9.993 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.769 -11.769 -10.992 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.741 -10.117 -11.021 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.531 -9.989 -9.286 1.00 0.00 H new ATOM 977 N TYR 1 71 -3.476 -12.158 -8.920 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.718 -12.450 -7.715 1.00 0.00 C ATOM 979 C TYR 1 71 -1.417 -11.681 -7.623 1.00 0.00 C ATOM 980 O TYR 1 71 -0.754 -11.418 -8.625 1.00 0.00 O ATOM 981 CB TYR 1 71 -2.419 -13.935 -7.651 1.00 0.00 C ATOM 982 CG TYR 1 71 -3.587 -14.728 -7.161 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -3.906 -14.733 -5.821 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -4.370 -15.458 -8.034 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -4.980 -15.448 -5.346 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -5.451 -16.179 -7.578 1.00 0.00 C ATOM 987 CZ TYR 1 71 -5.756 -16.173 -6.230 1.00 0.00 C ATOM 988 OH TYR 1 71 -6.834 -16.892 -5.766 1.00 0.00 O ATOM 0 H TYR 1 71 -2.933 -12.176 -9.783 1.00 0.00 H new ATOM 0 HA TYR 1 71 -3.337 -12.137 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -2.132 -14.289 -8.641 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -1.566 -14.104 -6.993 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -3.301 -14.164 -5.130 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -4.131 -15.463 -9.087 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -5.215 -15.443 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -6.057 -16.746 -8.270 1.00 0.00 H new ATOM 0 HH TYR 1 71 -7.273 -17.344 -6.517 1.00 0.00 H new ATOM 998 N CYS 1 72 -1.055 -11.346 -6.393 1.00 0.00 N ATOM 999 CA CYS 1 72 0.176 -10.628 -6.128 1.00 0.00 C ATOM 1000 C CYS 1 72 1.377 -11.524 -6.392 1.00 0.00 C ATOM 1001 O CYS 1 72 1.241 -12.744 -6.498 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.202 -10.137 -4.685 1.00 0.00 C ATOM 1003 SG CYS 1 72 1.346 -8.753 -4.408 1.00 0.00 S ATOM 0 H CYS 1 72 -1.603 -11.563 -5.560 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.224 -9.767 -6.795 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.803 -9.830 -4.396 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 0.482 -10.965 -4.033 1.00 0.00 H new ATOM 1008 N THR 1 73 2.549 -10.916 -6.499 1.00 0.00 N ATOM 1009 CA THR 1 73 3.773 -11.662 -6.756 1.00 0.00 C ATOM 1010 C THR 1 73 4.804 -11.434 -5.650 1.00 0.00 C ATOM 1011 O THR 1 73 5.936 -11.908 -5.740 1.00 0.00 O ATOM 1012 CB THR 1 73 4.349 -11.261 -8.114 1.00 0.00 C ATOM 1013 OG1 THR 1 73 5.120 -10.078 -8.004 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.281 -11.020 -9.162 1.00 0.00 C ATOM 0 H THR 1 73 2.679 -9.908 -6.412 1.00 0.00 H new ATOM 0 HA THR 1 73 3.531 -12.725 -6.769 1.00 0.00 H new ATOM 0 HB THR 1 73 4.966 -12.102 -8.430 1.00 0.00 H new ATOM 0 HG1 THR 1 73 5.481 -9.840 -8.883 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.752 -10.739 -10.104 1.00 0.00 H new ATOM 0 HG22 THR 1 73 2.700 -11.931 -9.305 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.622 -10.217 -8.832 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.404 -10.712 -4.604 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.303 -10.443 -3.497 1.00 0.00 C ATOM 1024 C GLY 1 74 6.589 -9.771 -3.934 1.00 0.00 C ATOM 1025 O GLY 1 74 7.624 -9.919 -3.284 1.00 0.00 O ATOM 0 H GLY 1 74 3.472 -10.309 -4.505 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.796 -9.809 -2.769 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.541 -11.379 -2.993 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.529 -9.033 -5.037 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.705 -8.342 -5.552 1.00 0.00 C ATOM 1031 C LYS 1 75 7.325 -7.052 -6.276 1.00 0.00 C ATOM 1032 O LYS 1 75 8.111 -6.520 -7.059 1.00 0.00 O ATOM 1033 CB LYS 1 75 8.483 -9.257 -6.498 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.915 -10.565 -5.857 1.00 0.00 C ATOM 1035 CD LYS 1 75 10.010 -11.244 -6.663 1.00 0.00 C ATOM 1036 CE LYS 1 75 9.811 -12.750 -6.715 1.00 0.00 C ATOM 1037 NZ LYS 1 75 8.839 -13.146 -7.771 1.00 0.00 N ATOM 0 H LYS 1 75 5.682 -8.898 -5.590 1.00 0.00 H new ATOM 0 HA LYS 1 75 8.334 -8.080 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.865 -9.475 -7.369 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 9.366 -8.729 -6.857 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.271 -10.375 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.057 -11.232 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 10.020 -10.842 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 10.981 -11.019 -6.221 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 10.768 -13.236 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.458 -13.103 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 8.732 -14.180 -7.774 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 7.918 -12.703 -7.579 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 9.188 -12.832 -8.699 1.00 0.00 H new ATOM 1051 N SER 1 76 6.121 -6.549 -6.013 1.00 0.00 N ATOM 1052 CA SER 1 76 5.661 -5.320 -6.649 1.00 0.00 C ATOM 1053 C SER 1 76 4.386 -4.799 -5.992 1.00 0.00 C ATOM 1054 O SER 1 76 3.691 -5.532 -5.288 1.00 0.00 O ATOM 1055 CB SER 1 76 5.418 -5.556 -8.140 1.00 0.00 C ATOM 1056 OG SER 1 76 6.610 -5.379 -8.886 1.00 0.00 O ATOM 0 H SER 1 76 5.452 -6.971 -5.369 1.00 0.00 H new ATOM 0 HA SER 1 76 6.440 -4.568 -6.525 1.00 0.00 H new ATOM 0 HB2 SER 1 76 5.036 -6.565 -8.294 1.00 0.00 H new ATOM 0 HB3 SER 1 76 4.654 -4.867 -8.501 1.00 0.00 H new ATOM 0 HG SER 1 76 7.322 -5.932 -8.502 1.00 0.00 H new ATOM 1062 N SER 1 77 4.085 -3.528 -6.238 1.00 0.00 N ATOM 1063 CA SER 1 77 2.892 -2.892 -5.684 1.00 0.00 C ATOM 1064 C SER 1 77 1.693 -3.074 -6.610 1.00 0.00 C ATOM 1065 O SER 1 77 0.649 -2.449 -6.418 1.00 0.00 O ATOM 1066 CB SER 1 77 3.147 -1.402 -5.454 1.00 0.00 C ATOM 1067 OG SER 1 77 3.640 -0.781 -6.628 1.00 0.00 O ATOM 0 H SER 1 77 4.654 -2.914 -6.821 1.00 0.00 H new ATOM 0 HA SER 1 77 2.667 -3.371 -4.731 1.00 0.00 H new ATOM 0 HB2 SER 1 77 2.223 -0.916 -5.143 1.00 0.00 H new ATOM 0 HB3 SER 1 77 3.864 -1.274 -4.643 1.00 0.00 H new ATOM 0 HG SER 1 77 3.793 0.171 -6.455 1.00 0.00 H new ATOM 1073 N ASP 1 78 1.845 -3.934 -7.613 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.771 -4.191 -8.563 1.00 0.00 C ATOM 1075 C ASP 1 78 0.375 -5.663 -8.554 1.00 0.00 C ATOM 1076 O ASP 1 78 1.205 -6.542 -8.321 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.197 -3.774 -9.971 1.00 0.00 C ATOM 1078 CG ASP 1 78 0.850 -2.329 -10.276 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.975 -1.484 -9.364 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 0.455 -2.043 -11.425 1.00 0.00 O ATOM 0 H ASP 1 78 2.700 -4.463 -7.787 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.094 -3.600 -8.262 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 2.272 -3.917 -10.080 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 0.713 -4.423 -10.701 1.00 0.00 H new ATOM 1085 N CYS 1 79 -0.901 -5.919 -8.807 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.427 -7.278 -8.829 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.937 -7.640 -10.227 1.00 0.00 C ATOM 1088 O CYS 1 79 -2.983 -7.153 -10.655 1.00 0.00 O ATOM 1089 CB CYS 1 79 -2.556 -7.408 -7.806 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.355 -8.806 -6.660 1.00 0.00 S ATOM 0 H CYS 1 79 -1.596 -5.198 -9.001 1.00 0.00 H new ATOM 0 HA CYS 1 79 -0.624 -7.969 -8.571 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -2.619 -6.485 -7.230 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.502 -7.518 -8.336 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.203 -8.497 -10.962 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.590 -8.914 -12.319 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.804 -9.844 -12.336 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.921 -10.744 -11.506 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.349 -9.654 -12.824 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.313 -10.161 -11.592 1.00 0.00 C ATOM 1101 CD PRO 1 80 0.065 -9.121 -10.536 1.00 0.00 C ATOM 0 HA PRO 1 80 -1.885 -8.062 -12.932 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.619 -10.471 -13.493 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 0.309 -8.989 -13.383 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -0.099 -11.125 -11.295 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.381 -10.307 -11.754 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.020 -9.567 -9.545 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.875 -8.394 -10.490 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.700 -9.620 -13.299 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.914 -10.438 -13.448 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.575 -11.874 -13.817 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.431 -12.756 -13.758 1.00 0.00 O ATOM 1113 CB TRP 1 81 -5.835 -9.884 -14.543 1.00 0.00 C ATOM 1114 CG TRP 1 81 -5.585 -8.459 -14.919 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -4.731 -7.997 -15.879 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -6.211 -7.315 -14.351 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -4.790 -6.627 -15.937 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -5.695 -6.186 -15.007 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -7.161 -7.140 -13.348 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -6.100 -4.896 -14.691 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -7.566 -5.858 -13.032 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -7.036 -4.748 -13.703 1.00 0.00 C ATOM 0 H TRP 1 81 -3.611 -8.877 -13.992 1.00 0.00 H new ATOM 0 HA TRP 1 81 -5.419 -10.407 -12.483 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -5.728 -10.503 -15.434 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.868 -9.980 -14.210 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.102 -8.618 -16.500 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -4.250 -6.035 -16.568 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -7.574 -7.991 -12.827 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -5.691 -4.040 -15.206 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -8.302 -5.709 -12.256 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -7.372 -3.757 -13.436 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.340 -12.093 -14.243 1.00 0.00 N ATOM 1134 CA ASN 1 82 -2.901 -13.414 -14.677 1.00 0.00 C ATOM 1135 C ASN 1 82 -3.557 -13.751 -16.013 1.00 0.00 C ATOM 1136 O ASN 1 82 -3.764 -14.919 -16.343 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.250 -14.480 -13.633 1.00 0.00 C ATOM 1138 CG ASN 1 82 -2.621 -14.198 -12.283 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -2.960 -13.218 -11.620 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.698 -15.058 -11.869 1.00 0.00 N ATOM 0 H ASN 1 82 -2.621 -11.372 -14.298 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.817 -13.402 -14.794 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -4.333 -14.534 -13.522 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.917 -15.455 -13.989 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.239 -14.920 -10.969 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -1.448 -15.857 -12.451 1.00 0.00 H new ATOM 1147 N HIS 1 83 -3.892 -12.706 -16.769 1.00 0.00 N ATOM 1148 CA HIS 1 83 -4.539 -12.859 -18.065 1.00 0.00 C ATOM 1149 C HIS 1 83 -3.537 -12.689 -19.203 1.00 0.00 C ATOM 1150 O HIS 1 83 -3.096 -13.716 -19.760 1.00 0.00 O ATOM 1151 CB HIS 1 83 -5.669 -11.834 -18.200 1.00 0.00 C ATOM 1152 CG HIS 1 83 -6.702 -11.960 -17.126 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -7.042 -13.016 -16.353 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -7.507 -10.917 -16.723 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -8.034 -12.596 -15.503 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -8.294 -11.326 -15.744 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 -3.202 -11.530 -19.527 1.00 0.00 O ATOM 0 H HIS 1 83 -3.723 -11.737 -16.500 1.00 0.00 H new ATOM 0 HA HIS 1 83 -4.952 -13.866 -18.128 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -5.246 -10.830 -18.174 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -6.147 -11.954 -19.172 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -6.636 -13.951 -16.394 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -7.496 -9.922 -17.142 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.522 -13.206 -14.758 1.00 0.00 H new