USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 368 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: B 4 GLN :FLIP amide:sc= -0.369 F(o=-3.9,f=-1.7) USER MOD Set 1.2: B 5 HIS : no HE2:sc= -1.29 X(o=-1.7,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0199 (180deg=-0.0199) USER MOD Single : A 5 GLN : amide:sc= -0.0839 K(o=-0.084,f=-2!) USER MOD Single : A 8 THR OG1 : rot 135:sc= 0.746 USER MOD Single : A 9 SER OG : rot 180:sc= -0.554 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.91! C(o=-1.9!,f=-7.2!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 142:sc= -0.651! USER MOD Single : A 21 ASN : amide:sc= -0.317 K(o=-0.32,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ -121:sc= -1.05 (180deg=-4.21!) USER MOD Single : B 3 ASN : amide:sc= -0.927 X(o=-0.93,f=-0.48) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= -1.92! USER MOD Single : B 27 THR OG1 : rot -141:sc= -1.83! USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.555 4.828 4.732 1.00 0.00 N ATOM 2 CA GLY A 1 -6.080 4.602 4.400 1.00 0.00 C ATOM 3 C GLY A 1 -5.698 4.207 3.014 1.00 0.00 C ATOM 4 O GLY A 1 -4.561 3.879 2.741 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.649 5.096 5.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.933 5.589 4.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.088 3.953 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.546 5.522 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.706 3.832 5.075 1.00 0.00 H new ATOM 10 N ILE A 2 -6.634 4.229 2.103 1.00 0.00 N ATOM 11 CA ILE A 2 -6.317 3.848 0.697 1.00 0.00 C ATOM 12 C ILE A 2 -6.170 5.115 -0.145 1.00 0.00 C ATOM 13 O ILE A 2 -5.127 5.722 -0.181 1.00 0.00 O ATOM 14 CB ILE A 2 -7.441 2.976 0.132 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.331 1.559 0.701 1.00 0.00 C ATOM 16 CG2 ILE A 2 -7.319 2.908 -1.392 1.00 0.00 C ATOM 17 CD1 ILE A 2 -7.045 1.614 2.204 1.00 0.00 C ATOM 0 H ILE A 2 -7.604 4.494 2.272 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.385 3.284 0.672 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.402 3.410 0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.257 1.013 0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.535 1.015 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.120 2.287 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.395 3.912 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.355 2.476 -1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.969 0.600 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.107 2.142 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -7.855 2.139 2.710 1.00 0.00 H new ATOM 29 N VAL A 3 -7.208 5.524 -0.815 1.00 0.00 N ATOM 30 CA VAL A 3 -7.119 6.761 -1.641 1.00 0.00 C ATOM 31 C VAL A 3 -6.755 7.924 -0.734 1.00 0.00 C ATOM 32 O VAL A 3 -6.074 8.852 -1.121 1.00 0.00 O ATOM 33 CB VAL A 3 -8.482 7.026 -2.292 1.00 0.00 C ATOM 34 CG1 VAL A 3 -8.687 8.525 -2.555 1.00 0.00 C ATOM 35 CG2 VAL A 3 -8.548 6.284 -3.619 1.00 0.00 C ATOM 0 H VAL A 3 -8.115 5.057 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.362 6.645 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.262 6.680 -1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.661 8.683 -3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.640 9.070 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.906 8.887 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.514 6.466 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.752 6.639 -4.274 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.425 5.215 -3.445 1.00 0.00 H new ATOM 45 N GLU A 4 -7.234 7.882 0.464 1.00 0.00 N ATOM 46 CA GLU A 4 -6.950 8.992 1.410 1.00 0.00 C ATOM 47 C GLU A 4 -5.462 9.023 1.761 1.00 0.00 C ATOM 48 O GLU A 4 -4.882 10.072 1.961 1.00 0.00 O ATOM 49 CB GLU A 4 -7.774 8.802 2.684 1.00 0.00 C ATOM 50 CG GLU A 4 -8.824 9.910 2.783 1.00 0.00 C ATOM 51 CD GLU A 4 -8.160 11.202 3.264 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.946 11.214 3.375 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.878 12.156 3.514 1.00 0.00 O ATOM 0 H GLU A 4 -7.812 7.128 0.836 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.220 9.936 0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.260 7.826 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.123 8.825 3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.292 10.069 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.614 9.616 3.474 1.00 0.00 H new ATOM 60 N GLN A 5 -4.845 7.882 1.850 1.00 0.00 N ATOM 61 CA GLN A 5 -3.397 7.838 2.205 1.00 0.00 C ATOM 62 C GLN A 5 -2.549 7.504 0.973 1.00 0.00 C ATOM 63 O GLN A 5 -1.349 7.698 0.965 1.00 0.00 O ATOM 64 CB GLN A 5 -3.176 6.761 3.268 1.00 0.00 C ATOM 65 CG GLN A 5 -3.214 7.393 4.660 1.00 0.00 C ATOM 66 CD GLN A 5 -2.486 6.482 5.649 1.00 0.00 C ATOM 67 OE1 GLN A 5 -2.066 5.398 5.297 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.318 6.879 6.879 1.00 0.00 N ATOM 0 H GLN A 5 -5.280 6.973 1.692 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.098 8.815 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.945 5.993 3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.216 6.270 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.743 8.376 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.246 7.541 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.671 7.789 7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.833 6.279 7.547 1.00 0.00 H new ATOM 77 N CYS A 6 -3.151 6.984 -0.056 1.00 0.00 N ATOM 78 CA CYS A 6 -2.367 6.618 -1.270 1.00 0.00 C ATOM 79 C CYS A 6 -2.607 7.632 -2.389 1.00 0.00 C ATOM 80 O CYS A 6 -1.683 8.080 -3.039 1.00 0.00 O ATOM 81 CB CYS A 6 -2.791 5.234 -1.750 1.00 0.00 C ATOM 82 SG CYS A 6 -2.573 4.028 -0.416 1.00 0.00 S ATOM 0 H CYS A 6 -4.152 6.795 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.308 6.617 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.833 5.253 -2.069 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.198 4.942 -2.617 1.00 0.00 H new ATOM 87 N CYS A 7 -3.833 7.999 -2.633 1.00 0.00 N ATOM 88 CA CYS A 7 -4.090 8.980 -3.719 1.00 0.00 C ATOM 89 C CYS A 7 -3.633 10.361 -3.252 1.00 0.00 C ATOM 90 O CYS A 7 -2.821 11.008 -3.884 1.00 0.00 O ATOM 91 CB CYS A 7 -5.585 9.025 -4.047 1.00 0.00 C ATOM 92 SG CYS A 7 -5.846 9.830 -5.653 1.00 0.00 S ATOM 0 H CYS A 7 -4.658 7.667 -2.134 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.542 8.683 -4.613 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.991 8.014 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.120 9.568 -3.268 1.00 0.00 H new ATOM 97 N THR A 8 -4.147 10.814 -2.142 1.00 0.00 N ATOM 98 CA THR A 8 -3.743 12.150 -1.621 1.00 0.00 C ATOM 99 C THR A 8 -2.246 12.144 -1.316 1.00 0.00 C ATOM 100 O THR A 8 -1.609 13.177 -1.254 1.00 0.00 O ATOM 101 CB THR A 8 -4.524 12.453 -0.339 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.570 11.503 -0.190 1.00 0.00 O ATOM 103 CG2 THR A 8 -5.116 13.861 -0.419 1.00 0.00 C ATOM 0 H THR A 8 -4.831 10.316 -1.572 1.00 0.00 H new ATOM 0 HA THR A 8 -3.959 12.914 -2.368 1.00 0.00 H new ATOM 0 HB THR A 8 -3.854 12.394 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.589 11.180 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.671 14.075 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.312 14.588 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.787 13.925 -1.275 1.00 0.00 H new ATOM 111 N SER A 9 -1.681 10.985 -1.126 1.00 0.00 N ATOM 112 CA SER A 9 -0.226 10.901 -0.823 1.00 0.00 C ATOM 113 C SER A 9 0.244 9.456 -0.998 1.00 0.00 C ATOM 114 O SER A 9 -0.548 8.543 -1.097 1.00 0.00 O ATOM 115 CB SER A 9 0.019 11.356 0.616 1.00 0.00 C ATOM 116 OG SER A 9 -1.214 11.769 1.192 1.00 0.00 O ATOM 0 H SER A 9 -2.166 10.089 -1.168 1.00 0.00 H new ATOM 0 HA SER A 9 0.331 11.546 -1.503 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.452 10.543 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.736 12.177 0.633 1.00 0.00 H new ATOM 0 HG SER A 9 -1.062 12.060 2.115 1.00 0.00 H new ATOM 122 N ILE A 10 1.527 9.246 -1.052 1.00 0.00 N ATOM 123 CA ILE A 10 2.058 7.869 -1.245 1.00 0.00 C ATOM 124 C ILE A 10 2.031 7.089 0.072 1.00 0.00 C ATOM 125 O ILE A 10 2.886 7.249 0.920 1.00 0.00 O ATOM 126 CB ILE A 10 3.494 7.971 -1.749 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.531 8.861 -2.990 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.011 6.580 -2.116 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.768 10.321 -2.589 1.00 0.00 C ATOM 0 H ILE A 10 2.237 9.974 -0.970 1.00 0.00 H new ATOM 0 HA ILE A 10 1.437 7.340 -1.968 1.00 0.00 H new ATOM 0 HB ILE A 10 4.121 8.398 -0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.322 8.528 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.592 8.774 -3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.037 6.656 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.982 5.937 -1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.383 6.153 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.792 10.944 -3.483 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.962 10.654 -1.936 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.719 10.404 -2.063 1.00 0.00 H new ATOM 141 N CYS A 11 1.060 6.232 0.241 1.00 0.00 N ATOM 142 CA CYS A 11 0.981 5.426 1.495 1.00 0.00 C ATOM 143 C CYS A 11 2.232 4.551 1.609 1.00 0.00 C ATOM 144 O CYS A 11 3.177 4.707 0.861 1.00 0.00 O ATOM 145 CB CYS A 11 -0.274 4.539 1.483 1.00 0.00 C ATOM 146 SG CYS A 11 -0.569 3.880 -0.180 1.00 0.00 S ATOM 0 H CYS A 11 0.317 6.055 -0.435 1.00 0.00 H new ATOM 0 HA CYS A 11 0.922 6.099 2.350 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.153 3.718 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.138 5.117 1.810 1.00 0.00 H new ATOM 151 N SER A 12 2.256 3.640 2.545 1.00 0.00 N ATOM 152 CA SER A 12 3.459 2.770 2.706 1.00 0.00 C ATOM 153 C SER A 12 3.317 1.512 1.846 1.00 0.00 C ATOM 154 O SER A 12 2.343 1.333 1.142 1.00 0.00 O ATOM 155 CB SER A 12 3.614 2.370 4.174 1.00 0.00 C ATOM 156 OG SER A 12 4.984 2.100 4.443 1.00 0.00 O ATOM 0 H SER A 12 1.498 3.460 3.203 1.00 0.00 H new ATOM 0 HA SER A 12 4.341 3.324 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.255 3.170 4.821 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.008 1.490 4.389 1.00 0.00 H new ATOM 0 HG SER A 12 5.089 1.845 5.383 1.00 0.00 H new ATOM 162 N LEU A 13 4.290 0.640 1.896 1.00 0.00 N ATOM 163 CA LEU A 13 4.223 -0.608 1.083 1.00 0.00 C ATOM 164 C LEU A 13 3.523 -1.703 1.891 1.00 0.00 C ATOM 165 O LEU A 13 2.643 -2.382 1.402 1.00 0.00 O ATOM 166 CB LEU A 13 5.645 -1.059 0.726 1.00 0.00 C ATOM 167 CG LEU A 13 5.620 -2.449 0.074 1.00 0.00 C ATOM 168 CD1 LEU A 13 5.516 -3.525 1.156 1.00 0.00 C ATOM 169 CD2 LEU A 13 4.422 -2.563 -0.872 1.00 0.00 C ATOM 0 H LEU A 13 5.130 0.740 2.467 1.00 0.00 H new ATOM 0 HA LEU A 13 3.662 -0.420 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.101 -0.340 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.262 -1.083 1.624 1.00 0.00 H new ATOM 0 HG LEU A 13 6.540 -2.589 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.499 -4.510 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.375 -3.455 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.600 -3.378 1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.413 -3.552 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.500 -2.414 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.499 -1.804 -1.650 1.00 0.00 H new ATOM 181 N TYR A 14 3.900 -1.874 3.127 1.00 0.00 N ATOM 182 CA TYR A 14 3.246 -2.918 3.959 1.00 0.00 C ATOM 183 C TYR A 14 1.749 -2.666 3.964 1.00 0.00 C ATOM 184 O TYR A 14 0.948 -3.554 3.751 1.00 0.00 O ATOM 185 CB TYR A 14 3.774 -2.834 5.389 1.00 0.00 C ATOM 186 CG TYR A 14 3.662 -4.187 6.041 1.00 0.00 C ATOM 187 CD1 TYR A 14 2.473 -4.561 6.683 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.747 -5.068 6.002 1.00 0.00 C ATOM 189 CE1 TYR A 14 2.372 -5.820 7.288 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.648 -6.328 6.605 1.00 0.00 C ATOM 191 CZ TYR A 14 3.461 -6.705 7.249 1.00 0.00 C ATOM 192 OH TYR A 14 3.363 -7.947 7.844 1.00 0.00 O ATOM 0 H TYR A 14 4.630 -1.337 3.595 1.00 0.00 H new ATOM 0 HA TYR A 14 3.460 -3.906 3.552 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.813 -2.504 5.387 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.206 -2.096 5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.636 -3.879 6.711 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.662 -4.777 5.507 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.457 -6.110 7.784 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.486 -7.009 6.574 1.00 0.00 H new ATOM 0 HH TYR A 14 4.205 -8.434 7.724 1.00 0.00 H new ATOM 202 N GLN A 15 1.377 -1.449 4.200 1.00 0.00 N ATOM 203 CA GLN A 15 -0.066 -1.099 4.217 1.00 0.00 C ATOM 204 C GLN A 15 -0.629 -1.282 2.811 1.00 0.00 C ATOM 205 O GLN A 15 -1.693 -1.834 2.618 1.00 0.00 O ATOM 206 CB GLN A 15 -0.227 0.355 4.662 1.00 0.00 C ATOM 207 CG GLN A 15 -1.635 0.847 4.323 1.00 0.00 C ATOM 208 CD GLN A 15 -2.662 0.115 5.188 1.00 0.00 C ATOM 209 OE1 GLN A 15 -2.574 -1.083 5.375 1.00 0.00 O ATOM 210 NE2 GLN A 15 -3.639 0.789 5.728 1.00 0.00 N ATOM 0 H GLN A 15 2.013 -0.673 4.384 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.604 -1.743 4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.051 0.438 5.734 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.516 0.981 4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.705 1.922 4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.846 0.675 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.713 1.794 5.571 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.329 0.311 6.307 1.00 0.00 H new ATOM 219 N LEU A 16 0.091 -0.830 1.830 1.00 0.00 N ATOM 220 CA LEU A 16 -0.379 -0.981 0.424 1.00 0.00 C ATOM 221 C LEU A 16 -0.398 -2.466 0.075 1.00 0.00 C ATOM 222 O LEU A 16 -1.163 -2.918 -0.754 1.00 0.00 O ATOM 223 CB LEU A 16 0.583 -0.246 -0.510 1.00 0.00 C ATOM 224 CG LEU A 16 0.381 -0.712 -1.952 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.798 0.403 -2.898 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.249 -1.937 -2.230 1.00 0.00 C ATOM 0 H LEU A 16 0.990 -0.360 1.938 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.379 -0.561 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.417 0.829 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.612 -0.430 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.668 -0.966 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.657 0.078 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.189 1.287 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.848 0.645 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.099 -2.263 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.298 -1.682 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.970 -2.742 -1.550 1.00 0.00 H new ATOM 238 N GLU A 17 0.445 -3.221 0.710 1.00 0.00 N ATOM 239 CA GLU A 17 0.501 -4.679 0.439 1.00 0.00 C ATOM 240 C GLU A 17 -0.676 -5.366 1.125 1.00 0.00 C ATOM 241 O GLU A 17 -1.246 -6.308 0.612 1.00 0.00 O ATOM 242 CB GLU A 17 1.817 -5.227 0.982 1.00 0.00 C ATOM 243 CG GLU A 17 1.842 -6.749 0.827 1.00 0.00 C ATOM 244 CD GLU A 17 1.843 -7.401 2.210 1.00 0.00 C ATOM 245 OE1 GLU A 17 0.767 -7.624 2.739 1.00 0.00 O ATOM 246 OE2 GLU A 17 2.921 -7.668 2.716 1.00 0.00 O ATOM 0 H GLU A 17 1.105 -2.888 1.413 1.00 0.00 H new ATOM 0 HA GLU A 17 0.443 -4.867 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.656 -4.783 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.930 -4.956 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.975 -7.082 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.727 -7.054 0.268 1.00 0.00 H new ATOM 253 N ASN A 18 -1.057 -4.885 2.271 1.00 0.00 N ATOM 254 CA ASN A 18 -2.217 -5.491 2.984 1.00 0.00 C ATOM 255 C ASN A 18 -3.441 -5.396 2.077 1.00 0.00 C ATOM 256 O ASN A 18 -4.428 -6.082 2.262 1.00 0.00 O ATOM 257 CB ASN A 18 -2.480 -4.717 4.276 1.00 0.00 C ATOM 258 CG ASN A 18 -2.309 -5.648 5.478 1.00 0.00 C ATOM 259 OD1 ASN A 18 -3.114 -6.532 5.696 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.288 -5.488 6.276 1.00 0.00 N ATOM 0 H ASN A 18 -0.617 -4.098 2.748 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.008 -6.533 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.791 -3.876 4.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.488 -4.303 4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.168 -6.104 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.611 -4.747 6.095 1.00 0.00 H new ATOM 267 N TYR A 19 -3.373 -4.540 1.096 1.00 0.00 N ATOM 268 CA TYR A 19 -4.510 -4.366 0.150 1.00 0.00 C ATOM 269 C TYR A 19 -4.864 -5.700 -0.514 1.00 0.00 C ATOM 270 O TYR A 19 -5.894 -5.831 -1.143 1.00 0.00 O ATOM 271 CB TYR A 19 -4.101 -3.362 -0.932 1.00 0.00 C ATOM 272 CG TYR A 19 -4.036 -1.963 -0.357 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.222 -1.748 1.017 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.785 -0.875 -1.205 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.159 -0.450 1.540 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.720 0.422 -0.682 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.907 0.635 0.690 1.00 0.00 C ATOM 278 OH TYR A 19 -3.843 1.913 1.205 1.00 0.00 O ATOM 0 H TYR A 19 -2.566 -3.945 0.907 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.379 -4.005 0.699 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.131 -3.638 -1.345 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.817 -3.391 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.414 -2.585 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.642 -1.038 -2.263 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.305 -0.286 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.526 1.259 -1.337 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.137 2.415 0.747 1.00 0.00 H new ATOM 288 N CYS A 20 -4.023 -6.690 -0.393 1.00 0.00 N ATOM 289 CA CYS A 20 -4.329 -8.003 -1.031 1.00 0.00 C ATOM 290 C CYS A 20 -5.688 -8.506 -0.559 1.00 0.00 C ATOM 291 O CYS A 20 -6.498 -7.770 -0.034 1.00 0.00 O ATOM 292 CB CYS A 20 -3.265 -9.030 -0.649 1.00 0.00 C ATOM 293 SG CYS A 20 -2.775 -9.964 -2.120 1.00 0.00 S ATOM 0 H CYS A 20 -3.141 -6.648 0.117 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.340 -7.869 -2.113 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.398 -8.529 -0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.654 -9.707 0.112 1.00 0.00 H new ATOM 298 N ASN A 21 -5.937 -9.765 -0.750 1.00 0.00 N ATOM 299 CA ASN A 21 -7.241 -10.346 -0.324 1.00 0.00 C ATOM 300 C ASN A 21 -7.266 -10.487 1.200 1.00 0.00 C ATOM 301 O ASN A 21 -7.435 -9.479 1.866 1.00 0.00 O ATOM 302 CB ASN A 21 -7.419 -11.722 -0.967 1.00 0.00 C ATOM 303 CG ASN A 21 -8.849 -12.211 -0.735 1.00 0.00 C ATOM 304 OD1 ASN A 21 -9.611 -11.581 -0.030 1.00 0.00 O ATOM 305 ND2 ASN A 21 -9.248 -13.317 -1.302 1.00 0.00 N ATOM 306 OXT ASN A 21 -7.117 -11.601 1.675 1.00 0.00 O ATOM 0 H ASN A 21 -5.292 -10.424 -1.185 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.051 -9.689 -0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -7.211 -11.666 -2.036 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.708 -12.429 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.200 -13.652 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.608 -13.846 -1.894 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 6.262 2.024 -0.444 1.00 0.00 N ATOM 315 CA PHE B 1 6.681 2.302 -1.847 1.00 0.00 C ATOM 316 C PHE B 1 6.637 3.812 -2.094 1.00 0.00 C ATOM 317 O PHE B 1 5.642 4.462 -1.843 1.00 0.00 O ATOM 318 CB PHE B 1 5.728 1.583 -2.808 1.00 0.00 C ATOM 319 CG PHE B 1 6.410 0.353 -3.356 1.00 0.00 C ATOM 320 CD1 PHE B 1 7.689 0.455 -3.920 1.00 0.00 C ATOM 321 CD2 PHE B 1 5.769 -0.890 -3.293 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.327 -0.687 -4.422 1.00 0.00 C ATOM 323 CE2 PHE B 1 6.406 -2.033 -3.796 1.00 0.00 C ATOM 324 CZ PHE B 1 7.685 -1.931 -4.360 1.00 0.00 C ATOM 0 H1 PHE B 1 7.028 1.529 0.056 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.055 2.921 0.041 1.00 0.00 H new ATOM 0 H3 PHE B 1 5.410 1.428 -0.448 1.00 0.00 H new ATOM 0 HA PHE B 1 7.696 1.942 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE B 1 4.811 1.304 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.443 2.249 -3.623 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.183 1.414 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE B 1 4.784 -0.968 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.313 -0.609 -4.856 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.911 -2.992 -3.749 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.176 -2.812 -4.747 1.00 0.00 H new ATOM 336 N VAL B 2 7.713 4.381 -2.574 1.00 0.00 N ATOM 337 CA VAL B 2 7.728 5.853 -2.820 1.00 0.00 C ATOM 338 C VAL B 2 7.032 6.164 -4.149 1.00 0.00 C ATOM 339 O VAL B 2 6.799 5.286 -4.957 1.00 0.00 O ATOM 340 CB VAL B 2 9.180 6.360 -2.844 1.00 0.00 C ATOM 341 CG1 VAL B 2 9.762 6.269 -4.260 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.206 7.817 -2.377 1.00 0.00 C ATOM 0 H VAL B 2 8.578 3.892 -2.805 1.00 0.00 H new ATOM 0 HA VAL B 2 7.192 6.360 -2.018 1.00 0.00 H new ATOM 0 HB VAL B 2 9.783 5.740 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.790 6.632 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL B 2 9.746 5.232 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.165 6.878 -4.939 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.232 8.185 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.594 8.424 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.811 7.881 -1.363 1.00 0.00 H new ATOM 352 N ASN B 3 6.697 7.406 -4.377 1.00 0.00 N ATOM 353 CA ASN B 3 6.010 7.770 -5.648 1.00 0.00 C ATOM 354 C ASN B 3 5.395 9.165 -5.514 1.00 0.00 C ATOM 355 O ASN B 3 5.815 9.965 -4.702 1.00 0.00 O ATOM 356 CB ASN B 3 4.898 6.752 -5.914 1.00 0.00 C ATOM 357 CG ASN B 3 5.174 6.023 -7.229 1.00 0.00 C ATOM 358 OD1 ASN B 3 4.930 4.838 -7.344 1.00 0.00 O ATOM 359 ND2 ASN B 3 5.679 6.684 -8.235 1.00 0.00 N ATOM 0 H ASN B 3 6.870 8.182 -3.738 1.00 0.00 H new ATOM 0 HA ASN B 3 6.725 7.768 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN B 3 4.843 6.036 -5.094 1.00 0.00 H new ATOM 0 HB3 ASN B 3 3.933 7.257 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN B 3 5.868 6.206 -9.116 1.00 0.00 H new ATOM 0 HD22 ASN B 3 5.884 7.679 -8.140 1.00 0.00 H new ATOM 366 N GLN B 4 4.386 9.450 -6.288 1.00 0.00 N ATOM 367 CA GLN B 4 3.716 10.776 -6.196 1.00 0.00 C ATOM 368 C GLN B 4 2.209 10.562 -6.338 1.00 0.00 C ATOM 369 O GLN B 4 1.682 10.512 -7.432 1.00 0.00 O ATOM 370 CB GLN B 4 4.218 11.690 -7.315 1.00 0.00 C ATOM 371 CG GLN B 4 5.158 12.743 -6.727 1.00 0.00 C ATOM 372 CD GLN B 4 4.553 14.134 -6.920 1.00 0.00 C ATOM 373 OE1 GLN B 4 3.440 14.436 -6.312 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 5.101 14.955 -7.630 1.00 0.00 N flip ATOM 0 H GLN B 4 3.994 8.817 -6.985 1.00 0.00 H new ATOM 0 HA GLN B 4 3.940 11.244 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN B 4 4.739 11.104 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN B 4 3.376 12.174 -7.810 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.320 12.549 -5.667 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.132 12.688 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN B 4 5.972 14.718 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.690 15.881 -7.750 1.00 0.00 H new ATOM 383 N HIS B 5 1.510 10.416 -5.245 1.00 0.00 N ATOM 384 CA HIS B 5 0.043 10.184 -5.337 1.00 0.00 C ATOM 385 C HIS B 5 -0.199 8.909 -6.149 1.00 0.00 C ATOM 386 O HIS B 5 -0.075 8.891 -7.357 1.00 0.00 O ATOM 387 CB HIS B 5 -0.613 11.387 -6.013 1.00 0.00 C ATOM 388 CG HIS B 5 -0.225 12.625 -5.256 1.00 0.00 C ATOM 389 ND1 HIS B 5 0.878 13.370 -5.616 1.00 0.00 N ATOM 390 CD2 HIS B 5 -0.766 13.205 -4.141 1.00 0.00 C ATOM 391 CE1 HIS B 5 0.979 14.363 -4.720 1.00 0.00 C ATOM 392 NE2 HIS B 5 -0.003 14.302 -3.799 1.00 0.00 N ATOM 0 H HIS B 5 1.890 10.447 -4.299 1.00 0.00 H new ATOM 0 HA HIS B 5 -0.391 10.064 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -0.291 11.461 -7.052 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -1.697 11.272 -6.023 1.00 0.00 H new ATOM 0 HD1 HIS B 5 1.496 13.199 -6.409 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -1.645 12.861 -3.616 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.751 15.118 -4.735 1.00 0.00 H new ATOM 400 N LEU B 6 -0.519 7.836 -5.478 1.00 0.00 N ATOM 401 CA LEU B 6 -0.746 6.536 -6.175 1.00 0.00 C ATOM 402 C LEU B 6 -2.197 6.437 -6.630 1.00 0.00 C ATOM 403 O LEU B 6 -2.496 6.186 -7.786 1.00 0.00 O ATOM 404 CB LEU B 6 -0.456 5.391 -5.197 1.00 0.00 C ATOM 405 CG LEU B 6 0.783 5.713 -4.361 1.00 0.00 C ATOM 406 CD1 LEU B 6 0.647 5.073 -2.980 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.016 5.149 -5.062 1.00 0.00 C ATOM 0 H LEU B 6 -0.634 7.804 -4.465 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.089 6.472 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -1.314 5.235 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.301 4.463 -5.747 1.00 0.00 H new ATOM 0 HG LEU B 6 0.882 6.793 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.530 5.303 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -0.239 5.467 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU B 6 0.553 3.992 -3.087 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.905 5.374 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.913 4.069 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.112 5.601 -6.049 1.00 0.00 H new ATOM 419 N CYS B 7 -3.090 6.608 -5.709 1.00 0.00 N ATOM 420 CA CYS B 7 -4.544 6.518 -6.024 1.00 0.00 C ATOM 421 C CYS B 7 -4.915 5.070 -6.351 1.00 0.00 C ATOM 422 O CYS B 7 -4.206 4.144 -6.008 1.00 0.00 O ATOM 423 CB CYS B 7 -4.881 7.415 -7.218 1.00 0.00 C ATOM 424 SG CYS B 7 -4.384 9.117 -6.857 1.00 0.00 S ATOM 0 H CYS B 7 -2.877 6.810 -4.732 1.00 0.00 H new ATOM 0 HA CYS B 7 -5.113 6.851 -5.156 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -4.368 7.057 -8.111 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.950 7.374 -7.426 1.00 0.00 H new ATOM 429 N GLY B 8 -6.028 4.866 -6.999 1.00 0.00 N ATOM 430 CA GLY B 8 -6.457 3.479 -7.333 1.00 0.00 C ATOM 431 C GLY B 8 -5.476 2.837 -8.315 1.00 0.00 C ATOM 432 O GLY B 8 -4.717 1.960 -7.957 1.00 0.00 O ATOM 0 H GLY B 8 -6.661 5.602 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.514 2.881 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -7.457 3.496 -7.767 1.00 0.00 H new ATOM 436 N SER B 9 -5.500 3.249 -9.554 1.00 0.00 N ATOM 437 CA SER B 9 -4.583 2.648 -10.566 1.00 0.00 C ATOM 438 C SER B 9 -3.205 2.388 -9.952 1.00 0.00 C ATOM 439 O SER B 9 -2.811 1.252 -9.785 1.00 0.00 O ATOM 440 CB SER B 9 -4.442 3.592 -11.757 1.00 0.00 C ATOM 441 OG SER B 9 -4.216 2.832 -12.936 1.00 0.00 O ATOM 0 H SER B 9 -6.117 3.979 -9.910 1.00 0.00 H new ATOM 0 HA SER B 9 -5.004 1.699 -10.899 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.344 4.195 -11.867 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.615 4.283 -11.592 1.00 0.00 H new ATOM 0 HG SER B 9 -4.127 3.436 -13.703 1.00 0.00 H new ATOM 447 N ASP B 10 -2.467 3.420 -9.612 1.00 0.00 N ATOM 448 CA ASP B 10 -1.118 3.199 -9.014 1.00 0.00 C ATOM 449 C ASP B 10 -1.201 2.062 -8.012 1.00 0.00 C ATOM 450 O ASP B 10 -0.452 1.107 -8.073 1.00 0.00 O ATOM 451 CB ASP B 10 -0.652 4.470 -8.309 1.00 0.00 C ATOM 452 CG ASP B 10 0.865 4.427 -8.119 1.00 0.00 C ATOM 453 OD1 ASP B 10 1.359 3.399 -7.683 1.00 0.00 O ATOM 454 OD2 ASP B 10 1.507 5.422 -8.411 1.00 0.00 O ATOM 0 H ASP B 10 -2.741 4.396 -9.723 1.00 0.00 H new ATOM 0 HA ASP B 10 -0.406 2.947 -9.800 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.930 5.346 -8.896 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.147 4.564 -7.342 1.00 0.00 H new ATOM 459 N LEU B 11 -2.129 2.135 -7.108 1.00 0.00 N ATOM 460 CA LEU B 11 -2.280 1.028 -6.130 1.00 0.00 C ATOM 461 C LEU B 11 -2.299 -0.263 -6.928 1.00 0.00 C ATOM 462 O LEU B 11 -1.307 -0.951 -7.039 1.00 0.00 O ATOM 463 CB LEU B 11 -3.603 1.187 -5.362 1.00 0.00 C ATOM 464 CG LEU B 11 -3.371 1.826 -3.980 1.00 0.00 C ATOM 465 CD1 LEU B 11 -2.121 2.709 -3.986 1.00 0.00 C ATOM 466 CD2 LEU B 11 -4.580 2.694 -3.623 1.00 0.00 C ATOM 0 H LEU B 11 -2.787 2.907 -7.003 1.00 0.00 H new ATOM 0 HA LEU B 11 -1.465 1.030 -5.406 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -4.290 1.804 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.075 0.212 -5.240 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.236 1.028 -3.249 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.981 3.148 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.250 2.105 -4.242 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.241 3.504 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.424 3.151 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -4.701 3.475 -4.373 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.477 2.075 -3.596 1.00 0.00 H new ATOM 478 N VAL B 12 -3.434 -0.581 -7.480 1.00 0.00 N ATOM 479 CA VAL B 12 -3.578 -1.827 -8.306 1.00 0.00 C ATOM 480 C VAL B 12 -2.265 -2.089 -9.049 1.00 0.00 C ATOM 481 O VAL B 12 -1.875 -3.219 -9.270 1.00 0.00 O ATOM 482 CB VAL B 12 -4.754 -1.684 -9.320 1.00 0.00 C ATOM 483 CG1 VAL B 12 -5.483 -0.357 -9.133 1.00 0.00 C ATOM 484 CG2 VAL B 12 -4.254 -1.726 -10.764 1.00 0.00 C ATOM 0 H VAL B 12 -4.286 -0.026 -7.397 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.801 -2.668 -7.650 1.00 0.00 H new ATOM 0 HB VAL B 12 -5.426 -2.520 -9.129 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.298 -0.285 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.887 -0.303 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.786 0.466 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.099 -1.624 -11.445 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.553 -0.908 -10.930 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.753 -2.676 -10.948 1.00 0.00 H new ATOM 494 N GLU B 13 -1.578 -1.047 -9.420 1.00 0.00 N ATOM 495 CA GLU B 13 -0.285 -1.224 -10.129 1.00 0.00 C ATOM 496 C GLU B 13 0.732 -1.749 -9.122 1.00 0.00 C ATOM 497 O GLU B 13 1.348 -2.777 -9.327 1.00 0.00 O ATOM 498 CB GLU B 13 0.164 0.118 -10.715 1.00 0.00 C ATOM 499 CG GLU B 13 -0.997 0.738 -11.496 1.00 0.00 C ATOM 500 CD GLU B 13 -0.655 0.773 -12.986 1.00 0.00 C ATOM 501 OE1 GLU B 13 0.161 1.595 -13.368 1.00 0.00 O ATOM 502 OE2 GLU B 13 -1.216 -0.024 -13.721 1.00 0.00 O ATOM 0 H GLU B 13 -1.858 -0.079 -9.262 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.383 -1.933 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.481 0.789 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.023 -0.027 -11.370 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -1.906 0.159 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.194 1.747 -11.134 1.00 0.00 H new ATOM 509 N ALA B 14 0.876 -1.085 -8.010 1.00 0.00 N ATOM 510 CA ALA B 14 1.808 -1.593 -6.976 1.00 0.00 C ATOM 511 C ALA B 14 1.205 -2.882 -6.429 1.00 0.00 C ATOM 512 O ALA B 14 1.868 -3.891 -6.293 1.00 0.00 O ATOM 513 CB ALA B 14 1.954 -0.567 -5.848 1.00 0.00 C ATOM 0 H ALA B 14 0.391 -0.219 -7.777 1.00 0.00 H new ATOM 0 HA ALA B 14 2.797 -1.771 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA B 14 2.641 -0.951 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.345 0.366 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.980 -0.385 -5.393 1.00 0.00 H new ATOM 519 N LEU B 15 -0.070 -2.852 -6.148 1.00 0.00 N ATOM 520 CA LEU B 15 -0.756 -4.074 -5.636 1.00 0.00 C ATOM 521 C LEU B 15 -0.352 -5.251 -6.525 1.00 0.00 C ATOM 522 O LEU B 15 -0.226 -6.373 -6.078 1.00 0.00 O ATOM 523 CB LEU B 15 -2.292 -3.924 -5.718 1.00 0.00 C ATOM 524 CG LEU B 15 -2.822 -2.612 -5.100 1.00 0.00 C ATOM 525 CD1 LEU B 15 -3.961 -2.923 -4.145 1.00 0.00 C ATOM 526 CD2 LEU B 15 -1.752 -1.837 -4.326 1.00 0.00 C ATOM 0 H LEU B 15 -0.668 -2.032 -6.251 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.469 -4.230 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -2.597 -3.972 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.758 -4.768 -5.210 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.153 -1.990 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.334 -1.996 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.766 -3.419 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -3.602 -3.578 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.188 -0.926 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.372 -2.455 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -0.933 -1.578 -4.997 1.00 0.00 H new ATOM 538 N TYR B 16 -0.167 -4.990 -7.792 1.00 0.00 N ATOM 539 CA TYR B 16 0.211 -6.075 -8.744 1.00 0.00 C ATOM 540 C TYR B 16 1.689 -6.435 -8.584 1.00 0.00 C ATOM 541 O TYR B 16 2.118 -7.510 -8.952 1.00 0.00 O ATOM 542 CB TYR B 16 -0.040 -5.595 -10.177 1.00 0.00 C ATOM 543 CG TYR B 16 -1.349 -6.160 -10.677 1.00 0.00 C ATOM 544 CD1 TYR B 16 -1.598 -7.535 -10.582 1.00 0.00 C ATOM 545 CD2 TYR B 16 -2.313 -5.311 -11.241 1.00 0.00 C ATOM 546 CE1 TYR B 16 -2.809 -8.062 -11.047 1.00 0.00 C ATOM 547 CE2 TYR B 16 -3.524 -5.839 -11.707 1.00 0.00 C ATOM 548 CZ TYR B 16 -3.772 -7.215 -11.610 1.00 0.00 C ATOM 549 OH TYR B 16 -4.964 -7.736 -12.070 1.00 0.00 O ATOM 0 H TYR B 16 -0.262 -4.065 -8.211 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.391 -6.958 -8.532 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -0.067 -4.506 -10.207 1.00 0.00 H new ATOM 0 HB3 TYR B 16 0.776 -5.912 -10.826 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.855 -8.189 -10.150 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.122 -4.251 -11.316 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.001 -9.122 -10.972 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.266 -5.186 -12.141 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.520 -7.013 -12.429 1.00 0.00 H new ATOM 559 N LEU B 17 2.471 -5.547 -8.044 1.00 0.00 N ATOM 560 CA LEU B 17 3.921 -5.842 -7.870 1.00 0.00 C ATOM 561 C LEU B 17 4.189 -6.233 -6.423 1.00 0.00 C ATOM 562 O LEU B 17 5.173 -6.873 -6.108 1.00 0.00 O ATOM 563 CB LEU B 17 4.737 -4.594 -8.199 1.00 0.00 C ATOM 564 CG LEU B 17 4.462 -4.169 -9.638 1.00 0.00 C ATOM 565 CD1 LEU B 17 4.572 -2.648 -9.748 1.00 0.00 C ATOM 566 CD2 LEU B 17 5.491 -4.822 -10.559 1.00 0.00 C ATOM 0 H LEU B 17 2.171 -4.629 -7.715 1.00 0.00 H new ATOM 0 HA LEU B 17 4.204 -6.658 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.478 -3.786 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.800 -4.796 -8.065 1.00 0.00 H new ATOM 0 HG LEU B 17 3.459 -4.482 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU B 17 4.376 -2.342 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU B 17 3.843 -2.182 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU B 17 5.576 -2.334 -9.462 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.299 -4.522 -11.589 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.492 -4.504 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.416 -5.906 -10.477 1.00 0.00 H new ATOM 578 N VAL B 18 3.329 -5.831 -5.539 1.00 0.00 N ATOM 579 CA VAL B 18 3.537 -6.154 -4.104 1.00 0.00 C ATOM 580 C VAL B 18 2.874 -7.491 -3.760 1.00 0.00 C ATOM 581 O VAL B 18 3.394 -8.275 -2.991 1.00 0.00 O ATOM 582 CB VAL B 18 2.945 -5.028 -3.241 1.00 0.00 C ATOM 583 CG1 VAL B 18 1.617 -4.565 -3.821 1.00 0.00 C ATOM 584 CG2 VAL B 18 2.688 -5.515 -1.822 1.00 0.00 C ATOM 0 H VAL B 18 2.489 -5.291 -5.746 1.00 0.00 H new ATOM 0 HA VAL B 18 4.605 -6.240 -3.903 1.00 0.00 H new ATOM 0 HB VAL B 18 3.664 -4.209 -3.230 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.208 -3.767 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL B 18 1.772 -4.194 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL B 18 0.919 -5.402 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL B 18 2.269 -4.702 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL B 18 1.985 -6.347 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.626 -5.845 -1.375 1.00 0.00 H new ATOM 594 N CYS B 19 1.731 -7.752 -4.317 1.00 0.00 N ATOM 595 CA CYS B 19 1.031 -9.034 -4.016 1.00 0.00 C ATOM 596 C CYS B 19 0.937 -9.880 -5.286 1.00 0.00 C ATOM 597 O CYS B 19 0.074 -10.725 -5.418 1.00 0.00 O ATOM 598 CB CYS B 19 -0.376 -8.737 -3.496 1.00 0.00 C ATOM 599 SG CYS B 19 -0.759 -9.859 -2.128 1.00 0.00 S ATOM 0 H CYS B 19 1.247 -7.135 -4.969 1.00 0.00 H new ATOM 0 HA CYS B 19 1.591 -9.582 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -0.441 -7.702 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -1.105 -8.860 -4.297 1.00 0.00 H new ATOM 604 N GLY B 20 1.820 -9.662 -6.220 1.00 0.00 N ATOM 605 CA GLY B 20 1.783 -10.454 -7.480 1.00 0.00 C ATOM 606 C GLY B 20 0.361 -10.450 -8.041 1.00 0.00 C ATOM 607 O GLY B 20 -0.419 -9.558 -7.774 1.00 0.00 O ATOM 0 H GLY B 20 2.566 -8.969 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.474 -10.031 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY B 20 2.108 -11.477 -7.289 1.00 0.00 H new ATOM 611 N GLU B 21 0.018 -11.440 -8.818 1.00 0.00 N ATOM 612 CA GLU B 21 -1.353 -11.491 -9.397 1.00 0.00 C ATOM 613 C GLU B 21 -2.077 -12.740 -8.889 1.00 0.00 C ATOM 614 O GLU B 21 -2.638 -13.498 -9.656 1.00 0.00 O ATOM 615 CB GLU B 21 -1.257 -11.542 -10.925 1.00 0.00 C ATOM 616 CG GLU B 21 -2.660 -11.464 -11.530 1.00 0.00 C ATOM 617 CD GLU B 21 -2.977 -12.776 -12.251 1.00 0.00 C ATOM 618 OE1 GLU B 21 -2.042 -13.453 -12.646 1.00 0.00 O ATOM 619 OE2 GLU B 21 -4.149 -13.082 -12.395 1.00 0.00 O ATOM 0 H GLU B 21 0.628 -12.216 -9.077 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.909 -10.603 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.647 -10.716 -11.289 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.766 -12.463 -11.238 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.396 -11.280 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.721 -10.629 -12.228 1.00 0.00 H new ATOM 626 N ARG B 22 -2.071 -12.962 -7.603 1.00 0.00 N ATOM 627 CA ARG B 22 -2.761 -14.163 -7.054 1.00 0.00 C ATOM 628 C ARG B 22 -4.159 -13.775 -6.567 1.00 0.00 C ATOM 629 O ARG B 22 -4.913 -14.603 -6.096 1.00 0.00 O ATOM 630 CB ARG B 22 -1.949 -14.735 -5.889 1.00 0.00 C ATOM 631 CG ARG B 22 -1.853 -13.696 -4.771 1.00 0.00 C ATOM 632 CD ARG B 22 -1.006 -14.259 -3.626 1.00 0.00 C ATOM 633 NE ARG B 22 -1.122 -13.367 -2.438 1.00 0.00 N ATOM 634 CZ ARG B 22 -2.043 -13.589 -1.541 1.00 0.00 C ATOM 635 NH1 ARG B 22 -3.244 -13.104 -1.705 1.00 0.00 N ATOM 636 NH2 ARG B 22 -1.763 -14.297 -0.480 1.00 0.00 N ATOM 0 H ARG B 22 -1.619 -12.365 -6.910 1.00 0.00 H new ATOM 0 HA ARG B 22 -2.849 -14.918 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -2.421 -15.644 -5.515 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.951 -15.011 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -1.407 -12.777 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -2.849 -13.441 -4.410 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.340 -15.265 -3.373 1.00 0.00 H new ATOM 0 HD3 ARG B 22 0.036 -14.338 -3.935 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.481 -12.582 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -3.462 -12.552 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.964 -13.277 -1.004 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.825 -14.676 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -2.483 -14.471 0.222 1.00 0.00 H new ATOM 650 N GLY B 23 -4.516 -12.524 -6.683 1.00 0.00 N ATOM 651 CA GLY B 23 -5.871 -12.095 -6.232 1.00 0.00 C ATOM 652 C GLY B 23 -5.747 -11.006 -5.164 1.00 0.00 C ATOM 653 O GLY B 23 -5.777 -11.279 -3.981 1.00 0.00 O ATOM 0 H GLY B 23 -3.930 -11.783 -7.069 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -6.444 -11.720 -7.080 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.417 -12.949 -5.831 1.00 0.00 H new ATOM 657 N PHE B 24 -5.619 -9.773 -5.573 1.00 0.00 N ATOM 658 CA PHE B 24 -5.507 -8.665 -4.583 1.00 0.00 C ATOM 659 C PHE B 24 -6.716 -7.736 -4.734 1.00 0.00 C ATOM 660 O PHE B 24 -7.360 -7.711 -5.763 1.00 0.00 O ATOM 661 CB PHE B 24 -4.206 -7.887 -4.830 1.00 0.00 C ATOM 662 CG PHE B 24 -4.381 -6.909 -5.972 1.00 0.00 C ATOM 663 CD1 PHE B 24 -5.019 -5.681 -5.750 1.00 0.00 C ATOM 664 CD2 PHE B 24 -3.896 -7.224 -7.249 1.00 0.00 C ATOM 665 CE1 PHE B 24 -5.172 -4.769 -6.802 1.00 0.00 C ATOM 666 CE2 PHE B 24 -4.051 -6.312 -8.303 1.00 0.00 C ATOM 667 CZ PHE B 24 -4.688 -5.084 -8.078 1.00 0.00 C ATOM 0 H PHE B 24 -5.587 -9.485 -6.551 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.488 -9.070 -3.571 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -3.919 -7.351 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.398 -8.582 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.393 -5.438 -4.767 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.403 -8.169 -7.421 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -5.663 -3.823 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.680 -6.556 -9.287 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.806 -4.380 -8.889 1.00 0.00 H new ATOM 677 N PHE B 25 -7.037 -6.975 -3.723 1.00 0.00 N ATOM 678 CA PHE B 25 -8.210 -6.064 -3.835 1.00 0.00 C ATOM 679 C PHE B 25 -8.094 -4.926 -2.819 1.00 0.00 C ATOM 680 O PHE B 25 -8.050 -5.145 -1.625 1.00 0.00 O ATOM 681 CB PHE B 25 -9.494 -6.848 -3.567 1.00 0.00 C ATOM 682 CG PHE B 25 -10.675 -5.914 -3.666 1.00 0.00 C ATOM 683 CD1 PHE B 25 -10.731 -4.968 -4.697 1.00 0.00 C ATOM 684 CD2 PHE B 25 -11.711 -5.991 -2.727 1.00 0.00 C ATOM 685 CE1 PHE B 25 -11.826 -4.098 -4.791 1.00 0.00 C ATOM 686 CE2 PHE B 25 -12.805 -5.121 -2.820 1.00 0.00 C ATOM 687 CZ PHE B 25 -12.863 -4.175 -3.851 1.00 0.00 C ATOM 0 H PHE B 25 -6.542 -6.945 -2.832 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.235 -5.645 -4.841 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.596 -7.660 -4.287 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.457 -7.303 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.931 -4.909 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.667 -6.720 -1.932 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -11.871 -3.369 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -13.604 -5.180 -2.096 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.707 -3.505 -3.922 1.00 0.00 H new ATOM 697 N TYR B 26 -8.057 -3.708 -3.288 1.00 0.00 N ATOM 698 CA TYR B 26 -7.956 -2.550 -2.356 1.00 0.00 C ATOM 699 C TYR B 26 -9.234 -1.711 -2.465 1.00 0.00 C ATOM 700 O TYR B 26 -10.126 -2.026 -3.228 1.00 0.00 O ATOM 701 CB TYR B 26 -6.735 -1.702 -2.726 1.00 0.00 C ATOM 702 CG TYR B 26 -6.952 -1.072 -4.077 1.00 0.00 C ATOM 703 CD1 TYR B 26 -6.865 -1.848 -5.240 1.00 0.00 C ATOM 704 CD2 TYR B 26 -7.260 0.289 -4.165 1.00 0.00 C ATOM 705 CE1 TYR B 26 -7.085 -1.261 -6.488 1.00 0.00 C ATOM 706 CE2 TYR B 26 -7.486 0.876 -5.411 1.00 0.00 C ATOM 707 CZ TYR B 26 -7.400 0.105 -6.573 1.00 0.00 C ATOM 708 OH TYR B 26 -7.626 0.686 -7.804 1.00 0.00 O ATOM 0 H TYR B 26 -8.092 -3.465 -4.278 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.842 -2.904 -1.331 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.574 -0.929 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.839 -2.323 -2.742 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.628 -2.899 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.323 0.887 -3.268 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -7.013 -1.856 -7.386 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.727 1.927 -5.477 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.261 1.426 -7.705 1.00 0.00 H new ATOM 718 N THR B 27 -9.344 -0.655 -1.704 1.00 0.00 N ATOM 719 CA THR B 27 -10.580 0.181 -1.767 1.00 0.00 C ATOM 720 C THR B 27 -10.275 1.528 -2.426 1.00 0.00 C ATOM 721 O THR B 27 -9.193 1.756 -2.928 1.00 0.00 O ATOM 722 CB THR B 27 -11.104 0.414 -0.348 1.00 0.00 C ATOM 723 OG1 THR B 27 -10.308 1.403 0.293 1.00 0.00 O ATOM 724 CG2 THR B 27 -11.031 -0.894 0.440 1.00 0.00 C ATOM 0 H THR B 27 -8.635 -0.335 -1.044 1.00 0.00 H new ATOM 0 HA THR B 27 -11.333 -0.339 -2.359 1.00 0.00 H new ATOM 0 HB THR B 27 -12.139 0.754 -0.390 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.173 1.157 1.232 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.404 -0.731 1.451 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.641 -1.651 -0.054 1.00 0.00 H new ATOM 0 HG23 THR B 27 -9.996 -1.234 0.485 1.00 0.00 H new ATOM 732 N ASP B 28 -11.228 2.424 -2.434 1.00 0.00 N ATOM 733 CA ASP B 28 -10.995 3.754 -3.065 1.00 0.00 C ATOM 734 C ASP B 28 -12.112 4.722 -2.663 1.00 0.00 C ATOM 735 O ASP B 28 -13.230 4.324 -2.408 1.00 0.00 O ATOM 736 CB ASP B 28 -10.982 3.598 -4.587 1.00 0.00 C ATOM 737 CG ASP B 28 -10.386 4.854 -5.225 1.00 0.00 C ATOM 738 OD1 ASP B 28 -11.085 5.852 -5.287 1.00 0.00 O ATOM 739 OD2 ASP B 28 -9.241 4.796 -5.640 1.00 0.00 O ATOM 0 H ASP B 28 -12.156 2.291 -2.031 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.037 4.150 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.397 2.722 -4.868 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -11.995 3.436 -4.955 1.00 0.00 H new ATOM 744 N LYS B 29 -11.814 5.992 -2.610 1.00 0.00 N ATOM 745 CA LYS B 29 -12.851 6.994 -2.230 1.00 0.00 C ATOM 746 C LYS B 29 -13.224 6.807 -0.752 1.00 0.00 C ATOM 747 O LYS B 29 -13.304 5.668 -0.322 1.00 0.00 O ATOM 748 CB LYS B 29 -14.082 6.827 -3.152 1.00 0.00 C ATOM 749 CG LYS B 29 -15.280 6.237 -2.392 1.00 0.00 C ATOM 750 CD LYS B 29 -16.017 7.359 -1.656 1.00 0.00 C ATOM 751 CE LYS B 29 -17.227 6.784 -0.915 1.00 0.00 C ATOM 752 NZ LYS B 29 -17.974 7.893 -0.256 1.00 0.00 N ATOM 753 OXT LYS B 29 -13.424 7.806 -0.081 1.00 0.00 O ATOM 0 H LYS B 29 -10.893 6.380 -2.814 1.00 0.00 H new ATOM 0 HA LYS B 29 -12.466 8.006 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.357 7.795 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.825 6.178 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.955 5.738 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.939 5.484 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.345 7.847 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -16.341 8.120 -2.365 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -17.878 6.256 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.901 6.057 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -18.797 7.506 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.350 8.378 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -18.297 8.570 -0.976 1.00 0.00 H new TER 767 LYS B 29