USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 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 Single : A 1 THR N :NH3+ -158:sc= -0.125 (180deg=-0.624) USER MOD Single : A 1 THR OG1 : rot 130:sc= 0 USER MOD Single : A 2 THR OG1 : rot -106:sc= 1.2 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.7!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 115:sc= 0.302 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -151:sc= -0.392 (180deg=-1.49!) USER MOD Single : A 35 ASN : amide:sc= -1.84 K(o=-1.8,f=-3!) USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= -0.148 (180deg=-0.842) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= -1.56 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -119:sc= -0.0156 (180deg=-1.3) USER MOD Single : A 51 THR OG1 : rot 170:sc= -0.0165 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 4.554 -13.849 3.989 1.00 0.00 N ATOM 2 CA THR A 1 5.020 -13.439 2.638 1.00 0.00 C ATOM 3 C THR A 1 5.391 -11.958 2.616 1.00 0.00 C ATOM 4 O THR A 1 5.522 -11.327 3.664 1.00 0.00 O ATOM 5 CB THR A 1 3.907 -13.713 1.623 1.00 0.00 C ATOM 6 OG1 THR A 1 2.881 -12.750 1.721 1.00 0.00 O ATOM 7 CG2 THR A 1 3.268 -15.074 1.790 1.00 0.00 C ATOM 0 H1 THR A 1 4.663 -14.878 4.096 1.00 0.00 H new ATOM 0 H2 THR A 1 5.120 -13.364 4.714 1.00 0.00 H new ATOM 0 H3 THR A 1 3.553 -13.593 4.103 1.00 0.00 H new ATOM 0 HA THR A 1 5.910 -14.014 2.380 1.00 0.00 H new ATOM 0 HB THR A 1 4.395 -13.669 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 1 2.682 -12.392 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 1 2.488 -15.204 1.040 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.024 -15.849 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.831 -15.151 2.785 1.00 0.00 H new ATOM 17 N THR A 2 5.559 -11.412 1.415 1.00 0.00 N ATOM 18 CA THR A 2 5.916 -10.003 1.256 1.00 0.00 C ATOM 19 C THR A 2 4.774 -9.229 0.617 1.00 0.00 C ATOM 20 O THR A 2 4.509 -9.363 -0.578 1.00 0.00 O ATOM 21 CB THR A 2 7.180 -9.876 0.405 1.00 0.00 C ATOM 22 OG1 THR A 2 7.986 -11.029 0.522 1.00 0.00 O ATOM 23 CG2 THR A 2 8.034 -8.687 0.783 1.00 0.00 C ATOM 0 H THR A 2 5.454 -11.922 0.538 1.00 0.00 H new ATOM 0 HA THR A 2 6.108 -9.581 2.242 1.00 0.00 H new ATOM 0 HB THR A 2 6.825 -9.746 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.765 -10.828 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.915 -8.654 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.458 -7.770 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.345 -8.779 1.824 1.00 0.00 H new ATOM 31 N TYR A 3 4.099 -8.414 1.421 1.00 0.00 N ATOM 32 CA TYR A 3 2.983 -7.610 0.934 1.00 0.00 C ATOM 33 C TYR A 3 3.488 -6.359 0.220 1.00 0.00 C ATOM 34 O TYR A 3 4.545 -5.824 0.560 1.00 0.00 O ATOM 35 CB TYR A 3 2.066 -7.218 2.093 1.00 0.00 C ATOM 36 CG TYR A 3 1.459 -8.400 2.813 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.205 -9.144 3.719 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.140 -8.773 2.586 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.652 -10.220 4.377 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.419 -9.853 3.243 1.00 0.00 C ATOM 41 CZ TYR A 3 0.340 -10.567 4.136 1.00 0.00 C ATOM 42 OH TYR A 3 -0.212 -11.652 4.793 1.00 0.00 O ATOM 0 H TYR A 3 4.305 -8.293 2.413 1.00 0.00 H new ATOM 0 HA TYR A 3 2.417 -8.210 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.633 -6.621 2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.265 -6.585 1.713 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.233 -8.875 3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.458 -8.210 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.244 -10.789 5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.445 -10.133 3.055 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.145 -11.763 4.514 1.00 0.00 H new ATOM 52 N LYS A 4 2.730 -5.897 -0.769 1.00 0.00 N ATOM 53 CA LYS A 4 3.108 -4.707 -1.526 1.00 0.00 C ATOM 54 C LYS A 4 1.927 -3.758 -1.682 1.00 0.00 C ATOM 55 O LYS A 4 0.772 -4.182 -1.720 1.00 0.00 O ATOM 56 CB LYS A 4 3.646 -5.103 -2.903 1.00 0.00 C ATOM 57 CG LYS A 4 4.728 -6.170 -2.851 1.00 0.00 C ATOM 58 CD LYS A 4 4.901 -6.852 -4.199 1.00 0.00 C ATOM 59 CE LYS A 4 6.273 -7.494 -4.328 1.00 0.00 C ATOM 60 NZ LYS A 4 6.207 -8.974 -4.195 1.00 0.00 N ATOM 0 H LYS A 4 1.853 -6.326 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 4 3.891 -4.190 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.820 -5.465 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.045 -4.217 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.672 -5.718 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.472 -6.913 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.130 -7.612 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.763 -6.123 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.706 -7.235 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.936 -7.090 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.162 -9.374 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.818 -9.222 -3.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.594 -9.363 -4.940 1.00 0.00 H new ATOM 74 N LEU A 5 2.232 -2.468 -1.763 1.00 0.00 N ATOM 75 CA LEU A 5 1.206 -1.447 -1.906 1.00 0.00 C ATOM 76 C LEU A 5 1.501 -0.544 -3.103 1.00 0.00 C ATOM 77 O LEU A 5 2.620 -0.058 -3.266 1.00 0.00 O ATOM 78 CB LEU A 5 1.113 -0.626 -0.618 1.00 0.00 C ATOM 79 CG LEU A 5 0.557 0.794 -0.776 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.759 0.772 -1.542 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.371 1.451 0.585 1.00 0.00 C ATOM 0 H LEU A 5 3.185 -2.106 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 5 0.247 -1.934 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.485 -1.166 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.108 -0.560 -0.178 1.00 0.00 H new ATOM 0 HG LEU A 5 1.277 1.382 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.138 1.789 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.597 0.344 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.486 0.167 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.024 2.458 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.327 0.863 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.331 1.503 1.098 1.00 0.00 H new ATOM 93 N ILE A 6 0.487 -0.322 -3.934 1.00 0.00 N ATOM 94 CA ILE A 6 0.637 0.523 -5.112 1.00 0.00 C ATOM 95 C ILE A 6 -0.076 1.860 -4.921 1.00 0.00 C ATOM 96 O ILE A 6 -1.305 1.923 -4.892 1.00 0.00 O ATOM 97 CB ILE A 6 0.093 -0.172 -6.377 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.740 -1.543 -6.546 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.339 0.690 -7.608 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.242 -1.479 -6.659 1.00 0.00 C ATOM 0 H ILE A 6 -0.446 -0.716 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 6 1.704 0.702 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.983 -0.307 -6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.472 -2.172 -5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.335 -2.022 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.051 0.184 -8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.165 1.649 -7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.410 0.855 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.641 -2.486 -6.777 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.516 -0.876 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.656 -1.028 -5.757 1.00 0.00 H new ATOM 112 N LEU A 7 0.709 2.925 -4.788 1.00 0.00 N ATOM 113 CA LEU A 7 0.161 4.262 -4.596 1.00 0.00 C ATOM 114 C LEU A 7 0.229 5.070 -5.888 1.00 0.00 C ATOM 115 O LEU A 7 1.307 5.290 -6.439 1.00 0.00 O ATOM 116 CB LEU A 7 0.923 4.992 -3.488 1.00 0.00 C ATOM 117 CG LEU A 7 1.237 4.146 -2.253 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.480 4.669 -1.550 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.050 4.129 -1.302 1.00 0.00 C ATOM 0 H LEU A 7 1.728 2.887 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.885 4.160 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.859 5.369 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.340 5.859 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 7 1.431 3.123 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.688 4.055 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.329 4.627 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.315 5.701 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.292 3.522 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.177 5.147 -0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.817 3.706 -1.809 1.00 0.00 H new ATOM 131 N ASN A 8 -0.931 5.512 -6.365 1.00 0.00 N ATOM 132 CA ASN A 8 -1.003 6.296 -7.592 1.00 0.00 C ATOM 133 C ASN A 8 -1.766 7.596 -7.363 1.00 0.00 C ATOM 134 O ASN A 8 -2.989 7.595 -7.228 1.00 0.00 O ATOM 135 CB ASN A 8 -1.675 5.487 -8.702 1.00 0.00 C ATOM 136 CG ASN A 8 -1.264 5.967 -10.091 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.477 6.900 -10.211 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.786 5.339 -11.153 1.00 0.00 N ATOM 0 H ASN A 8 -1.833 5.340 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 8 0.015 6.541 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.415 4.434 -8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.758 5.561 -8.599 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.531 5.634 -12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.438 4.566 -11.019 1.00 0.00 H new ATOM 145 N LEU A 9 -1.036 8.707 -7.322 1.00 0.00 N ATOM 146 CA LEU A 9 -1.647 10.011 -7.109 1.00 0.00 C ATOM 147 C LEU A 9 -1.510 10.878 -8.354 1.00 0.00 C ATOM 148 O LEU A 9 -0.928 10.458 -9.354 1.00 0.00 O ATOM 149 CB LEU A 9 -1.004 10.711 -5.908 1.00 0.00 C ATOM 150 CG LEU A 9 0.511 10.914 -6.009 1.00 0.00 C ATOM 151 CD1 LEU A 9 0.885 12.338 -5.646 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.242 9.924 -5.110 1.00 0.00 C ATOM 0 H LEU A 9 -0.022 8.728 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.707 9.862 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.478 11.684 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.218 10.130 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 9 0.814 10.733 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.965 12.462 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.390 13.029 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.569 12.548 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.317 10.082 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.933 10.075 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.000 8.906 -5.417 1.00 0.00 H new ATOM 164 N LYS A 10 -2.050 12.094 -8.288 1.00 0.00 N ATOM 165 CA LYS A 10 -1.990 13.016 -9.410 1.00 0.00 C ATOM 166 C LYS A 10 -0.664 13.772 -9.425 1.00 0.00 C ATOM 167 O LYS A 10 -0.634 14.997 -9.311 1.00 0.00 O ATOM 168 CB LYS A 10 -3.155 14.011 -9.346 1.00 0.00 C ATOM 169 CG LYS A 10 -3.363 14.794 -10.628 1.00 0.00 C ATOM 170 CD LYS A 10 -4.830 15.128 -10.844 1.00 0.00 C ATOM 171 CE LYS A 10 -5.055 15.798 -12.193 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.488 15.774 -12.585 1.00 0.00 N ATOM 0 H LYS A 10 -2.533 12.459 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.067 12.434 -10.328 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.071 13.469 -9.110 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.979 14.710 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.780 15.715 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.992 14.215 -11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.425 14.216 -10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.176 15.786 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.707 16.830 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.461 15.293 -12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.603 16.239 -13.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.814 14.788 -12.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.052 16.278 -11.871 1.00 0.00 H new ATOM 186 N GLN A 11 0.433 13.039 -9.571 1.00 0.00 N ATOM 187 CA GLN A 11 1.760 13.633 -9.600 1.00 0.00 C ATOM 188 C GLN A 11 2.837 12.580 -9.830 1.00 0.00 C ATOM 189 O GLN A 11 3.667 12.706 -10.730 1.00 0.00 O ATOM 190 CB GLN A 11 2.035 14.390 -8.303 1.00 0.00 C ATOM 191 CG GLN A 11 3.432 15.014 -8.239 1.00 0.00 C ATOM 192 CD GLN A 11 3.703 15.668 -6.901 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.749 15.454 -6.288 1.00 0.00 O ATOM 194 NE2 GLN A 11 2.751 16.470 -6.446 1.00 0.00 N ATOM 0 H GLN A 11 0.427 12.024 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 11 1.790 14.334 -10.434 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.290 15.177 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.912 13.708 -7.462 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.181 14.244 -8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.534 15.755 -9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.902 16.615 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.868 16.943 -5.550 1.00 0.00 H new ATOM 203 N ALA A 12 2.814 11.532 -9.007 1.00 0.00 N ATOM 204 CA ALA A 12 3.786 10.448 -9.117 1.00 0.00 C ATOM 205 C ALA A 12 3.276 9.177 -8.451 1.00 0.00 C ATOM 206 O ALA A 12 2.389 9.227 -7.598 1.00 0.00 O ATOM 207 CB ALA A 12 5.116 10.869 -8.509 1.00 0.00 C ATOM 0 H ALA A 12 2.133 11.412 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 12 3.933 10.234 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.832 10.052 -8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.497 11.743 -9.037 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.974 11.114 -7.456 1.00 0.00 H new ATOM 213 N LYS A 13 3.839 8.043 -8.847 1.00 0.00 N ATOM 214 CA LYS A 13 3.441 6.752 -8.287 1.00 0.00 C ATOM 215 C LYS A 13 4.549 6.178 -7.418 1.00 0.00 C ATOM 216 O LYS A 13 5.675 5.981 -7.876 1.00 0.00 O ATOM 217 CB LYS A 13 3.092 5.782 -9.414 1.00 0.00 C ATOM 218 CG LYS A 13 2.667 4.410 -8.920 1.00 0.00 C ATOM 219 CD LYS A 13 2.637 3.395 -10.051 1.00 0.00 C ATOM 220 CE LYS A 13 3.048 2.012 -9.572 1.00 0.00 C ATOM 221 NZ LYS A 13 4.002 1.359 -10.509 1.00 0.00 N ATOM 0 H LYS A 13 4.573 7.988 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 13 2.561 6.900 -7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.289 6.209 -10.015 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.956 5.672 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.355 4.072 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.680 4.476 -8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.634 3.351 -10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.306 3.718 -10.849 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.505 2.091 -8.586 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.161 1.387 -9.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.257 0.419 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.557 1.260 -11.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.859 1.941 -10.593 1.00 0.00 H new ATOM 235 N GLU A 14 4.223 5.901 -6.159 1.00 0.00 N ATOM 236 CA GLU A 14 5.191 5.339 -5.225 1.00 0.00 C ATOM 237 C GLU A 14 4.846 3.890 -4.894 1.00 0.00 C ATOM 238 O GLU A 14 3.675 3.536 -4.765 1.00 0.00 O ATOM 239 CB GLU A 14 5.235 6.172 -3.941 1.00 0.00 C ATOM 240 CG GLU A 14 6.634 6.329 -3.366 1.00 0.00 C ATOM 241 CD GLU A 14 6.825 5.561 -2.074 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.084 4.578 -1.853 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.712 5.941 -1.282 1.00 0.00 O ATOM 0 H GLU A 14 3.296 6.057 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 14 6.173 5.362 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.822 7.160 -4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.594 5.706 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.364 5.986 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.833 7.386 -3.188 1.00 0.00 H new ATOM 250 N GLU A 15 5.873 3.055 -4.766 1.00 0.00 N ATOM 251 CA GLU A 15 5.673 1.644 -4.456 1.00 0.00 C ATOM 252 C GLU A 15 6.034 1.339 -3.008 1.00 0.00 C ATOM 253 O GLU A 15 7.137 1.645 -2.553 1.00 0.00 O ATOM 254 CB GLU A 15 6.510 0.768 -5.389 1.00 0.00 C ATOM 255 CG GLU A 15 5.986 0.725 -6.815 1.00 0.00 C ATOM 256 CD GLU A 15 5.582 -0.672 -7.247 1.00 0.00 C ATOM 257 OE1 GLU A 15 5.217 -1.483 -6.371 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.631 -0.954 -8.463 1.00 0.00 O ATOM 0 H GLU A 15 6.849 3.330 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 15 4.616 1.421 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.535 1.138 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.541 -0.246 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.127 1.391 -6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.753 1.103 -7.491 1.00 0.00 H new ATOM 265 N ALA A 16 5.102 0.719 -2.294 1.00 0.00 N ATOM 266 CA ALA A 16 5.321 0.354 -0.901 1.00 0.00 C ATOM 267 C ALA A 16 5.451 -1.158 -0.768 1.00 0.00 C ATOM 268 O ALA A 16 4.734 -1.910 -1.428 1.00 0.00 O ATOM 269 CB ALA A 16 4.187 0.873 -0.031 1.00 0.00 C ATOM 0 H ALA A 16 4.186 0.458 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 16 6.249 0.813 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.366 0.592 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.136 1.959 -0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.244 0.441 -0.366 1.00 0.00 H new ATOM 275 N ILE A 17 6.370 -1.604 0.080 1.00 0.00 N ATOM 276 CA ILE A 17 6.580 -3.033 0.279 1.00 0.00 C ATOM 277 C ILE A 17 7.113 -3.333 1.673 1.00 0.00 C ATOM 278 O ILE A 17 7.739 -2.486 2.311 1.00 0.00 O ATOM 279 CB ILE A 17 7.532 -3.626 -0.788 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.977 -3.151 -0.578 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.053 -3.255 -2.185 1.00 0.00 C ATOM 282 CD1 ILE A 17 10.002 -4.083 -1.177 1.00 0.00 C ATOM 0 H ILE A 17 6.977 -1.003 0.637 1.00 0.00 H new ATOM 0 HA ILE A 17 5.605 -3.508 0.172 1.00 0.00 H new ATOM 0 HB ILE A 17 7.519 -4.711 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.095 -2.161 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.168 -3.050 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.731 -3.678 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.050 -3.651 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.035 -2.170 -2.287 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.002 -3.690 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.910 -5.068 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.836 -4.165 -2.251 1.00 0.00 H new ATOM 294 N LYS A 18 6.849 -4.547 2.143 1.00 0.00 N ATOM 295 CA LYS A 18 7.288 -4.968 3.464 1.00 0.00 C ATOM 296 C LYS A 18 7.097 -6.475 3.638 1.00 0.00 C ATOM 297 O LYS A 18 6.067 -7.028 3.252 1.00 0.00 O ATOM 298 CB LYS A 18 6.507 -4.198 4.533 1.00 0.00 C ATOM 299 CG LYS A 18 6.523 -4.846 5.910 1.00 0.00 C ATOM 300 CD LYS A 18 7.937 -4.951 6.460 1.00 0.00 C ATOM 301 CE LYS A 18 7.975 -4.665 7.953 1.00 0.00 C ATOM 302 NZ LYS A 18 9.204 -5.195 8.588 1.00 0.00 N ATOM 0 H LYS A 18 6.331 -5.257 1.625 1.00 0.00 H new ATOM 0 HA LYS A 18 8.350 -4.749 3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.919 -3.192 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.473 -4.094 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.907 -4.263 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.080 -5.840 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.330 -5.950 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.585 -4.248 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.917 -3.589 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.101 -5.108 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.190 -4.979 9.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.248 -6.225 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.038 -4.753 8.152 1.00 0.00 H new ATOM 316 N GLU A 19 8.096 -7.132 4.218 1.00 0.00 N ATOM 317 CA GLU A 19 8.036 -8.572 4.441 1.00 0.00 C ATOM 318 C GLU A 19 7.479 -8.888 5.825 1.00 0.00 C ATOM 319 O GLU A 19 8.136 -8.654 6.840 1.00 0.00 O ATOM 320 CB GLU A 19 9.426 -9.184 4.284 1.00 0.00 C ATOM 321 CG GLU A 19 9.399 -10.659 3.920 1.00 0.00 C ATOM 322 CD GLU A 19 10.547 -11.062 3.023 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.707 -11.075 3.511 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.307 -11.351 1.834 1.00 0.00 O ATOM 0 H GLU A 19 8.956 -6.690 4.542 1.00 0.00 H new ATOM 0 HA GLU A 19 7.367 -9.005 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.971 -8.637 3.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.978 -9.057 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.431 -11.254 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.457 -10.889 3.422 1.00 0.00 H new ATOM 331 N ALA A 20 6.261 -9.419 5.858 1.00 0.00 N ATOM 332 CA ALA A 20 5.613 -9.763 7.117 1.00 0.00 C ATOM 333 C ALA A 20 4.866 -11.090 6.999 1.00 0.00 C ATOM 334 O ALA A 20 4.222 -11.363 5.987 1.00 0.00 O ATOM 335 CB ALA A 20 4.663 -8.665 7.547 1.00 0.00 C ATOM 0 H ALA A 20 5.704 -9.620 5.028 1.00 0.00 H new ATOM 0 HA ALA A 20 6.388 -9.870 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.190 -8.942 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.217 -7.735 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.898 -8.526 6.783 1.00 0.00 H new ATOM 341 N VAL A 21 4.958 -11.911 8.042 1.00 0.00 N ATOM 342 CA VAL A 21 4.292 -13.208 8.055 1.00 0.00 C ATOM 343 C VAL A 21 2.781 -13.058 7.901 1.00 0.00 C ATOM 344 O VAL A 21 2.156 -13.765 7.111 1.00 0.00 O ATOM 345 CB VAL A 21 4.591 -13.985 9.353 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.066 -14.345 9.434 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.166 -13.177 10.568 1.00 0.00 C ATOM 0 H VAL A 21 5.487 -11.700 8.888 1.00 0.00 H new ATOM 0 HA VAL A 21 4.685 -13.769 7.207 1.00 0.00 H new ATOM 0 HB VAL A 21 4.016 -14.911 9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.257 -14.893 10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.336 -14.967 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.664 -13.434 9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.385 -13.741 11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.712 -12.234 10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.096 -12.976 10.515 1.00 0.00 H new ATOM 357 N ASP A 22 2.200 -12.133 8.660 1.00 0.00 N ATOM 358 CA ASP A 22 0.762 -11.898 8.603 1.00 0.00 C ATOM 359 C ASP A 22 0.453 -10.655 7.770 1.00 0.00 C ATOM 360 O ASP A 22 1.331 -10.124 7.090 1.00 0.00 O ATOM 361 CB ASP A 22 0.198 -11.741 10.016 1.00 0.00 C ATOM 362 CG ASP A 22 0.789 -10.548 10.745 1.00 0.00 C ATOM 363 OD1 ASP A 22 2.010 -10.557 10.997 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.034 -9.608 11.067 1.00 0.00 O ATOM 0 H ASP A 22 2.701 -11.537 9.319 1.00 0.00 H new ATOM 0 HA ASP A 22 0.289 -12.757 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.885 -11.630 9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.398 -12.648 10.587 1.00 0.00 H new ATOM 369 N ALA A 23 -0.791 -10.196 7.825 1.00 0.00 N ATOM 370 CA ALA A 23 -1.193 -9.015 7.070 1.00 0.00 C ATOM 371 C ALA A 23 -1.443 -7.826 7.993 1.00 0.00 C ATOM 372 O ALA A 23 -1.223 -6.678 7.606 1.00 0.00 O ATOM 373 CB ALA A 23 -2.447 -9.313 6.257 1.00 0.00 C ATOM 0 H ALA A 23 -1.535 -10.620 8.380 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.378 -8.756 6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.738 -8.424 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.245 -10.129 5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.256 -9.600 6.928 1.00 0.00 H new ATOM 379 N GLY A 24 -1.889 -8.105 9.213 1.00 0.00 N ATOM 380 CA GLY A 24 -2.151 -7.042 10.169 1.00 0.00 C ATOM 381 C GLY A 24 -1.007 -6.056 10.259 1.00 0.00 C ATOM 382 O GLY A 24 -1.212 -4.855 10.434 1.00 0.00 O ATOM 0 H GLY A 24 -2.074 -9.047 9.558 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.061 -6.514 9.882 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.331 -7.477 11.152 1.00 0.00 H new ATOM 386 N THR A 25 0.218 -6.567 10.124 1.00 0.00 N ATOM 387 CA THR A 25 1.403 -5.731 10.181 1.00 0.00 C ATOM 388 C THR A 25 1.607 -5.002 8.858 1.00 0.00 C ATOM 389 O THR A 25 2.182 -3.914 8.820 1.00 0.00 O ATOM 390 CB THR A 25 2.633 -6.580 10.507 1.00 0.00 C ATOM 391 OG1 THR A 25 2.288 -7.652 11.365 1.00 0.00 O ATOM 392 CG2 THR A 25 3.739 -5.795 11.177 1.00 0.00 C ATOM 0 H THR A 25 0.408 -7.558 9.974 1.00 0.00 H new ATOM 0 HA THR A 25 1.265 -4.990 10.969 1.00 0.00 H new ATOM 0 HB THR A 25 2.997 -6.944 9.546 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.426 -8.502 10.898 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.582 -6.455 11.381 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.062 -4.988 10.520 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.372 -5.376 12.114 1.00 0.00 H new ATOM 400 N ALA A 26 1.127 -5.606 7.772 1.00 0.00 N ATOM 401 CA ALA A 26 1.254 -5.009 6.450 1.00 0.00 C ATOM 402 C ALA A 26 0.223 -3.904 6.257 1.00 0.00 C ATOM 403 O ALA A 26 0.510 -2.869 5.656 1.00 0.00 O ATOM 404 CB ALA A 26 1.105 -6.073 5.372 1.00 0.00 C ATOM 0 H ALA A 26 0.648 -6.506 7.785 1.00 0.00 H new ATOM 0 HA ALA A 26 2.247 -4.567 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.202 -5.611 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.881 -6.828 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.125 -6.542 5.457 1.00 0.00 H new ATOM 410 N GLU A 27 -0.976 -4.130 6.777 1.00 0.00 N ATOM 411 CA GLU A 27 -2.047 -3.152 6.671 1.00 0.00 C ATOM 412 C GLU A 27 -1.727 -1.908 7.492 1.00 0.00 C ATOM 413 O GLU A 27 -1.628 -0.806 6.951 1.00 0.00 O ATOM 414 CB GLU A 27 -3.372 -3.761 7.150 1.00 0.00 C ATOM 415 CG GLU A 27 -4.561 -2.822 7.018 1.00 0.00 C ATOM 416 CD GLU A 27 -5.835 -3.417 7.573 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.039 -4.640 7.417 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.635 -2.662 8.165 1.00 0.00 O ATOM 0 H GLU A 27 -1.230 -4.982 7.276 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.141 -2.865 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.572 -4.668 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.269 -4.057 8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.343 -1.890 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.708 -2.573 5.967 1.00 0.00 H new ATOM 425 N LYS A 28 -1.545 -2.094 8.795 1.00 0.00 N ATOM 426 CA LYS A 28 -1.224 -0.986 9.691 1.00 0.00 C ATOM 427 C LYS A 28 0.023 -0.249 9.226 1.00 0.00 C ATOM 428 O LYS A 28 0.091 0.979 9.296 1.00 0.00 O ATOM 429 CB LYS A 28 -1.031 -1.500 11.120 1.00 0.00 C ATOM 430 CG LYS A 28 -2.253 -1.318 12.005 1.00 0.00 C ATOM 431 CD LYS A 28 -1.878 -0.777 13.376 1.00 0.00 C ATOM 432 CE LYS A 28 -1.452 -1.892 14.318 1.00 0.00 C ATOM 433 NZ LYS A 28 -2.553 -2.304 15.224 1.00 0.00 N ATOM 0 H LYS A 28 -1.614 -3.001 9.256 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.058 -0.285 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.774 -2.559 11.084 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.185 -0.982 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.953 -0.635 11.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.766 -2.273 12.118 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.067 -0.056 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.727 -0.244 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.120 -2.752 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.599 -1.560 14.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.221 -3.066 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.853 -1.490 15.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.358 -2.645 14.660 1.00 0.00 H new ATOM 447 N TYR A 29 1.010 -1.000 8.748 1.00 0.00 N ATOM 448 CA TYR A 29 2.255 -0.410 8.267 1.00 0.00 C ATOM 449 C TYR A 29 2.015 0.365 6.975 1.00 0.00 C ATOM 450 O TYR A 29 2.429 1.520 6.844 1.00 0.00 O ATOM 451 CB TYR A 29 3.316 -1.497 8.046 1.00 0.00 C ATOM 452 CG TYR A 29 4.560 -1.005 7.336 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.572 -0.822 5.960 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.721 -0.724 8.046 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.705 -0.373 5.309 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.860 -0.275 7.403 1.00 0.00 C ATOM 457 CZ TYR A 29 6.847 -0.102 6.035 1.00 0.00 C ATOM 458 OH TYR A 29 7.978 0.344 5.392 1.00 0.00 O ATOM 0 H TYR A 29 0.972 -2.017 8.683 1.00 0.00 H new ATOM 0 HA TYR A 29 2.621 0.283 9.025 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.602 -1.914 9.012 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.876 -2.308 7.466 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.680 -1.034 5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.734 -0.858 9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.697 -0.235 4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.755 -0.061 7.969 1.00 0.00 H new ATOM 0 HH TYR A 29 8.692 0.488 6.048 1.00 0.00 H new ATOM 468 N PHE A 30 1.337 -0.272 6.026 1.00 0.00 N ATOM 469 CA PHE A 30 1.037 0.366 4.750 1.00 0.00 C ATOM 470 C PHE A 30 0.190 1.611 4.977 1.00 0.00 C ATOM 471 O PHE A 30 0.426 2.656 4.370 1.00 0.00 O ATOM 472 CB PHE A 30 0.309 -0.610 3.815 1.00 0.00 C ATOM 473 CG PHE A 30 1.229 -1.523 3.037 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.493 -1.098 2.651 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.826 -2.809 2.688 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.335 -1.933 1.938 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.666 -3.643 1.974 1.00 0.00 C ATOM 478 CZ PHE A 30 2.920 -3.206 1.600 1.00 0.00 C ATOM 0 H PHE A 30 0.986 -1.226 6.116 1.00 0.00 H new ATOM 0 HA PHE A 30 1.975 0.657 4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.376 -1.219 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.298 -0.039 3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.823 -0.103 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.154 -3.159 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.316 -1.589 1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.340 -4.638 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.576 -3.859 1.044 1.00 0.00 H new ATOM 488 N LYS A 31 -0.794 1.497 5.865 1.00 0.00 N ATOM 489 CA LYS A 31 -1.670 2.616 6.182 1.00 0.00 C ATOM 490 C LYS A 31 -0.870 3.814 6.698 1.00 0.00 C ATOM 491 O LYS A 31 -1.259 4.963 6.492 1.00 0.00 O ATOM 492 CB LYS A 31 -2.704 2.194 7.220 1.00 0.00 C ATOM 493 CG LYS A 31 -3.999 2.995 7.150 1.00 0.00 C ATOM 494 CD LYS A 31 -4.421 3.494 8.520 1.00 0.00 C ATOM 495 CE LYS A 31 -5.405 2.538 9.185 1.00 0.00 C ATOM 496 NZ LYS A 31 -6.543 2.202 8.288 1.00 0.00 N ATOM 0 H LYS A 31 -1.003 0.640 6.377 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.180 2.916 5.267 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.932 1.137 7.085 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.273 2.302 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.867 3.843 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.790 2.374 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.541 3.610 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.877 4.479 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.886 1.623 9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.786 2.988 10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.386 1.992 8.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.741 3.008 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.299 1.370 7.714 1.00 0.00 H new ATOM 510 N LEU A 32 0.246 3.542 7.376 1.00 0.00 N ATOM 511 CA LEU A 32 1.087 4.599 7.919 1.00 0.00 C ATOM 512 C LEU A 32 1.841 5.331 6.809 1.00 0.00 C ATOM 513 O LEU A 32 2.002 6.552 6.860 1.00 0.00 O ATOM 514 CB LEU A 32 2.074 4.016 8.934 1.00 0.00 C ATOM 515 CG LEU A 32 1.458 3.502 10.245 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.099 4.197 11.431 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.053 3.700 10.275 1.00 0.00 C ATOM 0 H LEU A 32 0.585 2.598 7.560 1.00 0.00 H new ATOM 0 HA LEU A 32 0.443 5.321 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.611 3.194 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.812 4.781 9.176 1.00 0.00 H new ATOM 0 HG LEU A 32 1.653 2.431 10.305 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.655 3.825 12.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.170 3.994 11.436 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.933 5.272 11.356 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.451 3.324 11.218 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.283 4.761 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.508 3.156 9.447 1.00 0.00 H new ATOM 529 N ILE A 33 2.297 4.585 5.806 1.00 0.00 N ATOM 530 CA ILE A 33 3.028 5.178 4.692 1.00 0.00 C ATOM 531 C ILE A 33 2.071 5.816 3.692 1.00 0.00 C ATOM 532 O ILE A 33 2.390 6.831 3.072 1.00 0.00 O ATOM 533 CB ILE A 33 3.906 4.135 3.968 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.746 4.804 2.878 1.00 0.00 C ATOM 535 CG2 ILE A 33 3.042 3.029 3.379 1.00 0.00 C ATOM 536 CD1 ILE A 33 6.224 4.847 3.196 1.00 0.00 C ATOM 0 H ILE A 33 2.174 3.574 5.742 1.00 0.00 H new ATOM 0 HA ILE A 33 3.677 5.947 5.111 1.00 0.00 H new ATOM 0 HB ILE A 33 4.584 3.689 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.600 4.270 1.939 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.386 5.821 2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.677 2.302 2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.490 2.534 4.178 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.339 3.458 2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.758 5.335 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.382 5.406 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.599 3.831 3.319 1.00 0.00 H new ATOM 548 N ALA A 34 0.895 5.216 3.541 1.00 0.00 N ATOM 549 CA ALA A 34 -0.112 5.729 2.621 1.00 0.00 C ATOM 550 C ALA A 34 -0.680 7.050 3.127 1.00 0.00 C ATOM 551 O ALA A 34 -0.503 8.095 2.501 1.00 0.00 O ATOM 552 CB ALA A 34 -1.223 4.709 2.431 1.00 0.00 C ATOM 0 H ALA A 34 0.616 4.374 4.044 1.00 0.00 H new ATOM 0 HA ALA A 34 0.363 5.909 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.968 5.106 1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.806 3.788 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.693 4.500 3.392 1.00 0.00 H new ATOM 558 N ASN A 35 -1.363 6.995 4.267 1.00 0.00 N ATOM 559 CA ASN A 35 -1.956 8.187 4.863 1.00 0.00 C ATOM 560 C ASN A 35 -0.909 9.282 5.064 1.00 0.00 C ATOM 561 O ASN A 35 -1.218 10.470 4.975 1.00 0.00 O ATOM 562 CB ASN A 35 -2.604 7.841 6.204 1.00 0.00 C ATOM 563 CG ASN A 35 -3.874 7.023 6.045 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.100 6.060 6.781 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.727 7.395 5.089 1.00 0.00 N ATOM 0 H ASN A 35 -1.519 6.137 4.796 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.718 8.560 4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.892 7.285 6.815 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.834 8.762 6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.595 6.878 4.951 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.511 8.197 4.496 1.00 0.00 H new ATOM 572 N ALA A 36 0.330 8.877 5.331 1.00 0.00 N ATOM 573 CA ALA A 36 1.414 9.828 5.540 1.00 0.00 C ATOM 574 C ALA A 36 1.897 10.414 4.217 1.00 0.00 C ATOM 575 O ALA A 36 2.450 11.512 4.179 1.00 0.00 O ATOM 576 CB ALA A 36 2.567 9.165 6.277 1.00 0.00 C ATOM 0 H ALA A 36 0.606 7.898 5.407 1.00 0.00 H new ATOM 0 HA ALA A 36 1.030 10.645 6.150 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.368 9.889 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.220 8.804 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.940 8.326 5.690 1.00 0.00 H new ATOM 582 N LYS A 37 1.687 9.673 3.131 1.00 0.00 N ATOM 583 CA LYS A 37 2.104 10.122 1.807 1.00 0.00 C ATOM 584 C LYS A 37 0.980 10.881 1.107 1.00 0.00 C ATOM 585 O LYS A 37 1.229 11.830 0.367 1.00 0.00 O ATOM 586 CB LYS A 37 2.538 8.929 0.953 1.00 0.00 C ATOM 587 CG LYS A 37 4.017 8.598 1.078 1.00 0.00 C ATOM 588 CD LYS A 37 4.710 8.621 -0.275 1.00 0.00 C ATOM 589 CE LYS A 37 4.640 9.995 -0.911 1.00 0.00 C ATOM 590 NZ LYS A 37 5.134 11.059 0.008 1.00 0.00 N ATOM 0 H LYS A 37 1.231 8.761 3.143 1.00 0.00 H new ATOM 0 HA LYS A 37 2.950 10.798 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.953 8.055 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.308 9.138 -0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.496 9.314 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.133 7.613 1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.753 8.327 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.245 7.889 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.232 10.002 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.610 10.211 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.681 11.759 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.325 11.528 0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.742 10.634 0.737 1.00 0.00 H new ATOM 604 N THR A 38 -0.255 10.452 1.344 1.00 0.00 N ATOM 605 CA THR A 38 -1.414 11.092 0.734 1.00 0.00 C ATOM 606 C THR A 38 -2.651 10.927 1.609 1.00 0.00 C ATOM 607 O THR A 38 -2.574 10.391 2.716 1.00 0.00 O ATOM 608 CB THR A 38 -1.675 10.503 -0.656 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.196 9.172 -0.732 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.024 11.282 -1.767 1.00 0.00 C ATOM 0 H THR A 38 -0.479 9.665 1.953 1.00 0.00 H new ATOM 0 HA THR A 38 -1.200 12.156 0.637 1.00 0.00 H new ATOM 0 HB THR A 38 -2.756 10.546 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.373 8.811 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.250 10.810 -2.723 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.406 12.303 -1.768 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.055 11.298 -1.616 1.00 0.00 H new ATOM 618 N VAL A 39 -3.787 11.391 1.107 1.00 0.00 N ATOM 619 CA VAL A 39 -5.045 11.296 1.845 1.00 0.00 C ATOM 620 C VAL A 39 -6.229 11.187 0.893 1.00 0.00 C ATOM 621 O VAL A 39 -7.282 11.792 1.119 1.00 0.00 O ATOM 622 CB VAL A 39 -5.246 12.512 2.767 1.00 0.00 C ATOM 623 CG1 VAL A 39 -6.430 12.287 3.697 1.00 0.00 C ATOM 624 CG2 VAL A 39 -3.985 12.798 3.564 1.00 0.00 C ATOM 0 H VAL A 39 -3.866 11.837 0.193 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.991 10.395 2.456 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.458 13.381 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.557 13.157 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.334 12.138 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.248 11.405 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.150 13.661 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.737 11.931 4.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.162 13.008 2.880 1.00 0.00 H new ATOM 634 N GLU A 40 -6.063 10.408 -0.171 1.00 0.00 N ATOM 635 CA GLU A 40 -7.114 10.220 -1.158 1.00 0.00 C ATOM 636 C GLU A 40 -6.760 9.106 -2.135 1.00 0.00 C ATOM 637 O GLU A 40 -5.670 9.105 -2.718 1.00 0.00 O ATOM 638 CB GLU A 40 -7.373 11.520 -1.920 1.00 0.00 C ATOM 639 CG GLU A 40 -8.836 11.780 -2.209 1.00 0.00 C ATOM 640 CD GLU A 40 -9.248 13.200 -1.888 1.00 0.00 C ATOM 641 OE1 GLU A 40 -9.238 13.567 -0.693 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.581 13.951 -2.834 1.00 0.00 O ATOM 0 H GLU A 40 -5.204 9.895 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.021 9.933 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.973 12.354 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.826 11.493 -2.862 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.037 11.576 -3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.446 11.088 -1.628 1.00 0.00 H new ATOM 649 N GLY A 41 -7.671 8.160 -2.313 1.00 0.00 N ATOM 650 CA GLY A 41 -7.425 7.056 -3.225 1.00 0.00 C ATOM 651 C GLY A 41 -8.436 5.932 -3.063 1.00 0.00 C ATOM 652 O GLY A 41 -9.235 5.936 -2.132 1.00 0.00 O ATOM 0 H GLY A 41 -8.576 8.135 -1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.455 7.423 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.422 6.665 -3.056 1.00 0.00 H new ATOM 656 N VAL A 42 -8.377 4.961 -3.970 1.00 0.00 N ATOM 657 CA VAL A 42 -9.273 3.818 -3.925 1.00 0.00 C ATOM 658 C VAL A 42 -8.534 2.582 -3.442 1.00 0.00 C ATOM 659 O VAL A 42 -7.700 2.022 -4.154 1.00 0.00 O ATOM 660 CB VAL A 42 -9.910 3.528 -5.298 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.977 2.451 -5.174 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.496 4.799 -5.896 1.00 0.00 C ATOM 0 H VAL A 42 -7.715 4.946 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.071 4.067 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.132 3.163 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.416 2.259 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.526 1.535 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.754 2.786 -4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.941 4.574 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.261 5.196 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.706 5.539 -6.023 1.00 0.00 H new ATOM 672 N TRP A 43 -8.842 2.182 -2.215 1.00 0.00 N ATOM 673 CA TRP A 43 -8.219 1.040 -1.589 1.00 0.00 C ATOM 674 C TRP A 43 -8.656 -0.265 -2.250 1.00 0.00 C ATOM 675 O TRP A 43 -9.851 -0.525 -2.408 1.00 0.00 O ATOM 676 CB TRP A 43 -8.621 1.046 -0.116 1.00 0.00 C ATOM 677 CG TRP A 43 -7.632 1.751 0.774 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.523 3.104 0.962 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.609 1.155 1.594 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.510 3.383 1.840 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.934 2.211 2.242 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.186 -0.162 1.841 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.877 2.000 3.119 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.117 -0.368 2.729 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.483 0.714 3.351 1.00 0.00 C ATOM 0 H TRP A 43 -9.535 2.648 -1.629 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.136 1.106 -1.697 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.595 1.526 -0.015 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.736 0.017 0.225 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.147 3.845 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.230 4.315 2.145 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.672 -0.997 1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.382 2.829 3.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.780 -1.373 2.934 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.664 0.527 4.030 1.00 0.00 H new ATOM 696 N THR A 44 -7.687 -1.084 -2.624 1.00 0.00 N ATOM 697 CA THR A 44 -7.955 -2.366 -3.263 1.00 0.00 C ATOM 698 C THR A 44 -6.847 -3.360 -2.953 1.00 0.00 C ATOM 699 O THR A 44 -5.721 -2.959 -2.655 1.00 0.00 O ATOM 700 CB THR A 44 -8.099 -2.190 -4.775 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.170 -1.238 -5.260 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.489 -1.740 -5.194 1.00 0.00 C ATOM 0 H THR A 44 -6.696 -0.882 -2.495 1.00 0.00 H new ATOM 0 HA THR A 44 -8.892 -2.757 -2.866 1.00 0.00 H new ATOM 0 HB THR A 44 -7.910 -3.175 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.277 -1.141 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.526 -1.634 -6.278 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.222 -2.482 -4.877 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.717 -0.782 -4.727 1.00 0.00 H new ATOM 710 N TYR A 45 -7.151 -4.649 -3.034 1.00 0.00 N ATOM 711 CA TYR A 45 -6.154 -5.686 -2.764 1.00 0.00 C ATOM 712 C TYR A 45 -6.341 -6.882 -3.693 1.00 0.00 C ATOM 713 O TYR A 45 -7.466 -7.265 -4.014 1.00 0.00 O ATOM 714 CB TYR A 45 -6.216 -6.131 -1.293 1.00 0.00 C ATOM 715 CG TYR A 45 -5.545 -7.458 -1.013 1.00 0.00 C ATOM 716 CD1 TYR A 45 -6.184 -8.658 -1.309 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.275 -7.509 -0.450 1.00 0.00 C ATOM 718 CE1 TYR A 45 -5.571 -9.870 -1.053 1.00 0.00 C ATOM 719 CE2 TYR A 45 -3.662 -8.718 -0.190 1.00 0.00 C ATOM 720 CZ TYR A 45 -4.315 -9.897 -0.493 1.00 0.00 C ATOM 721 OH TYR A 45 -3.703 -11.103 -0.237 1.00 0.00 O ATOM 0 H TYR A 45 -8.074 -5.004 -3.283 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.169 -5.260 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.750 -5.364 -0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.261 -6.195 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.172 -8.642 -1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.761 -6.589 -0.213 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.077 -10.794 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.675 -8.742 0.249 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.008 -11.769 -0.887 1.00 0.00 H new ATOM 731 N LYS A 46 -5.229 -7.468 -4.115 1.00 0.00 N ATOM 732 CA LYS A 46 -5.253 -8.624 -5.005 1.00 0.00 C ATOM 733 C LYS A 46 -4.567 -9.821 -4.357 1.00 0.00 C ATOM 734 O LYS A 46 -3.560 -9.667 -3.661 1.00 0.00 O ATOM 735 CB LYS A 46 -4.593 -8.291 -6.337 1.00 0.00 C ATOM 736 CG LYS A 46 -5.000 -6.940 -6.902 1.00 0.00 C ATOM 737 CD LYS A 46 -4.266 -6.629 -8.194 1.00 0.00 C ATOM 738 CE LYS A 46 -4.744 -7.511 -9.324 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.795 -7.499 -10.469 1.00 0.00 N ATOM 0 H LYS A 46 -4.292 -7.160 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.295 -8.885 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.511 -8.310 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.843 -9.067 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.075 -6.930 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.792 -6.161 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.418 -5.582 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.195 -6.769 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.865 -8.532 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.724 -7.173 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.156 -8.115 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.698 -6.528 -10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.866 -7.845 -10.154 1.00 0.00 H new ATOM 753 N ASP A 47 -5.109 -11.009 -4.595 1.00 0.00 N ATOM 754 CA ASP A 47 -4.558 -12.237 -4.038 1.00 0.00 C ATOM 755 C ASP A 47 -3.466 -12.792 -4.946 1.00 0.00 C ATOM 756 O ASP A 47 -3.173 -12.227 -5.995 1.00 0.00 O ATOM 757 CB ASP A 47 -5.661 -13.277 -3.843 1.00 0.00 C ATOM 758 CG ASP A 47 -5.440 -14.125 -2.609 1.00 0.00 C ATOM 759 OD1 ASP A 47 -4.306 -14.625 -2.425 1.00 0.00 O ATOM 760 OD2 ASP A 47 -6.398 -14.306 -1.828 1.00 0.00 O ATOM 0 H ASP A 47 -5.936 -11.148 -5.175 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.120 -12.007 -3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.624 -12.772 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.708 -13.922 -4.720 1.00 0.00 H new ATOM 765 N GLU A 48 -2.867 -13.904 -4.517 1.00 0.00 N ATOM 766 CA GLU A 48 -1.779 -14.561 -5.279 1.00 0.00 C ATOM 767 C GLU A 48 -0.425 -13.930 -4.948 1.00 0.00 C ATOM 768 O GLU A 48 0.593 -14.618 -4.904 1.00 0.00 O ATOM 769 CB GLU A 48 -2.032 -14.471 -6.790 1.00 0.00 C ATOM 770 CG GLU A 48 -3.469 -14.766 -7.193 1.00 0.00 C ATOM 771 CD GLU A 48 -3.623 -16.116 -7.842 1.00 0.00 C ATOM 772 OE1 GLU A 48 -2.725 -16.513 -8.616 1.00 0.00 O ATOM 773 OE2 GLU A 48 -4.641 -16.791 -7.597 1.00 0.00 O ATOM 0 H GLU A 48 -3.110 -14.377 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.763 -15.611 -4.987 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.766 -13.471 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.371 -15.170 -7.302 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.107 -14.716 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.815 -13.995 -7.881 1.00 0.00 H new ATOM 780 N ILE A 49 -0.421 -12.629 -4.700 1.00 0.00 N ATOM 781 CA ILE A 49 0.805 -11.912 -4.363 1.00 0.00 C ATOM 782 C ILE A 49 0.627 -11.047 -3.119 1.00 0.00 C ATOM 783 O ILE A 49 1.584 -10.451 -2.628 1.00 0.00 O ATOM 784 CB ILE A 49 1.281 -11.039 -5.531 1.00 0.00 C ATOM 785 CG1 ILE A 49 0.115 -10.233 -6.102 1.00 0.00 C ATOM 786 CG2 ILE A 49 1.918 -11.889 -6.611 1.00 0.00 C ATOM 787 CD1 ILE A 49 0.487 -8.811 -6.452 1.00 0.00 C ATOM 0 H ILE A 49 -1.256 -12.044 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 49 1.562 -12.668 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 49 2.033 -10.345 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.261 -10.733 -6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.699 -10.221 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.248 -11.250 -7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.775 -12.421 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.190 -12.609 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.386 -8.295 -6.852 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.835 -8.295 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.280 -8.816 -7.200 1.00 0.00 H new ATOM 799 N LYS A 50 -0.605 -10.978 -2.609 1.00 0.00 N ATOM 800 CA LYS A 50 -0.901 -10.181 -1.422 1.00 0.00 C ATOM 801 C LYS A 50 -0.402 -8.748 -1.578 1.00 0.00 C ATOM 802 O LYS A 50 0.718 -8.424 -1.177 1.00 0.00 O ATOM 803 CB LYS A 50 -0.271 -10.819 -0.186 1.00 0.00 C ATOM 804 CG LYS A 50 -0.805 -12.207 0.122 1.00 0.00 C ATOM 805 CD LYS A 50 0.086 -13.291 -0.468 1.00 0.00 C ATOM 806 CE LYS A 50 -0.704 -14.550 -0.782 1.00 0.00 C ATOM 807 NZ LYS A 50 -0.126 -15.299 -1.934 1.00 0.00 N ATOM 0 H LYS A 50 -1.411 -11.465 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.984 -10.153 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.808 -10.877 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.445 -10.173 0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.875 -12.340 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.814 -12.307 -0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.558 -12.920 -1.378 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.886 -13.528 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.723 -15.195 0.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.737 -14.284 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.829 -15.356 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.722 -14.805 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.133 -16.259 -1.629 1.00 0.00 H new ATOM 821 N THR A 51 -1.234 -7.888 -2.158 1.00 0.00 N ATOM 822 CA THR A 51 -0.859 -6.494 -2.354 1.00 0.00 C ATOM 823 C THR A 51 -2.081 -5.590 -2.448 1.00 0.00 C ATOM 824 O THR A 51 -3.079 -5.938 -3.079 1.00 0.00 O ATOM 825 CB THR A 51 -0.004 -6.341 -3.615 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.791 -6.521 -4.777 1.00 0.00 O ATOM 827 CG2 THR A 51 1.146 -7.321 -3.683 1.00 0.00 C ATOM 0 H THR A 51 -2.165 -8.130 -2.498 1.00 0.00 H new ATOM 0 HA THR A 51 -0.278 -6.189 -1.484 1.00 0.00 H new ATOM 0 HB THR A 51 0.405 -5.332 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.272 -6.263 -5.567 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.710 -7.157 -4.601 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.801 -7.174 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.757 -8.339 -3.673 1.00 0.00 H new ATOM 835 N PHE A 52 -1.986 -4.424 -1.817 1.00 0.00 N ATOM 836 CA PHE A 52 -3.072 -3.453 -1.827 1.00 0.00 C ATOM 837 C PHE A 52 -2.713 -2.263 -2.708 1.00 0.00 C ATOM 838 O PHE A 52 -1.548 -2.061 -3.043 1.00 0.00 O ATOM 839 CB PHE A 52 -3.375 -2.972 -0.408 1.00 0.00 C ATOM 840 CG PHE A 52 -3.236 -4.042 0.642 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.989 -4.477 1.045 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.359 -4.611 1.225 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.856 -5.458 2.009 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.230 -5.594 2.188 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.974 -6.019 2.579 1.00 0.00 C ATOM 0 H PHE A 52 -1.164 -4.129 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.960 -3.940 -2.232 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.705 -2.148 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.390 -2.577 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.105 -4.044 0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.343 -4.283 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.873 -5.784 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.111 -6.030 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.872 -6.789 3.329 1.00 0.00 H new ATOM 855 N THR A 53 -3.703 -1.473 -3.091 1.00 0.00 N ATOM 856 CA THR A 53 -3.471 -0.310 -3.931 1.00 0.00 C ATOM 857 C THR A 53 -4.427 0.826 -3.594 1.00 0.00 C ATOM 858 O THR A 53 -5.555 0.591 -3.149 1.00 0.00 O ATOM 859 CB THR A 53 -3.597 -0.691 -5.413 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.611 -1.641 -5.770 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.474 0.483 -6.374 1.00 0.00 C ATOM 0 H THR A 53 -4.679 -1.617 -2.832 1.00 0.00 H new ATOM 0 HA THR A 53 -2.458 0.042 -3.738 1.00 0.00 H new ATOM 0 HB THR A 53 -4.603 -1.098 -5.509 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.708 -1.873 -6.717 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.575 0.126 -7.399 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.259 1.209 -6.164 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.500 0.956 -6.248 1.00 0.00 H new ATOM 869 N VAL A 54 -3.986 2.055 -3.821 1.00 0.00 N ATOM 870 CA VAL A 54 -4.798 3.234 -3.561 1.00 0.00 C ATOM 871 C VAL A 54 -4.690 4.223 -4.725 1.00 0.00 C ATOM 872 O VAL A 54 -3.693 4.917 -4.884 1.00 0.00 O ATOM 873 CB VAL A 54 -4.410 3.912 -2.214 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.383 5.019 -2.385 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.655 4.450 -1.529 1.00 0.00 C ATOM 0 H VAL A 54 -3.058 2.262 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.836 2.914 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.946 3.147 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.152 5.454 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.474 4.607 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.786 5.791 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.377 4.923 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.137 5.184 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.346 3.630 -1.333 1.00 0.00 H new ATOM 885 N THR A 55 -5.729 4.257 -5.555 1.00 0.00 N ATOM 886 CA THR A 55 -5.747 5.141 -6.717 1.00 0.00 C ATOM 887 C THR A 55 -6.655 6.344 -6.490 1.00 0.00 C ATOM 888 O THR A 55 -7.832 6.193 -6.163 1.00 0.00 O ATOM 889 CB THR A 55 -6.193 4.374 -7.962 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.402 3.220 -8.155 1.00 0.00 O ATOM 891 CG2 THR A 55 -6.130 5.197 -9.229 1.00 0.00 C ATOM 0 H THR A 55 -6.566 3.685 -5.445 1.00 0.00 H new ATOM 0 HA THR A 55 -4.732 5.510 -6.868 1.00 0.00 H new ATOM 0 HB THR A 55 -7.233 4.108 -7.775 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.707 2.745 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.460 4.591 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.780 6.067 -9.131 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.105 5.527 -9.398 1.00 0.00 H new ATOM 899 N GLU A 56 -6.103 7.539 -6.672 1.00 0.00 N ATOM 900 CA GLU A 56 -6.860 8.773 -6.495 1.00 0.00 C ATOM 901 C GLU A 56 -7.438 9.242 -7.823 1.00 0.00 C ATOM 902 O GLU A 56 -8.453 9.973 -7.802 1.00 0.00 O ATOM 903 CB GLU A 56 -5.970 9.860 -5.887 1.00 0.00 C ATOM 904 CG GLU A 56 -6.638 11.218 -5.797 1.00 0.00 C ATOM 905 CD GLU A 56 -6.121 12.191 -6.835 1.00 0.00 C ATOM 906 OE1 GLU A 56 -6.449 12.018 -8.029 1.00 0.00 O ATOM 907 OE2 GLU A 56 -5.386 13.124 -6.456 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.870 8.889 -8.876 1.00 0.00 O ATOM 0 H GLU A 56 -5.130 7.679 -6.943 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.686 8.576 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.664 9.549 -4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.063 9.950 -6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.714 11.098 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.476 11.633 -4.802 1.00 0.00 H new