USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 511 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: A 7 THR OG1 : rot -84:sc= 0.604 USER MOD Set 1.2: A 9 THR OG1 : rot -63:sc= 0.625 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= -0.851 (180deg=-1.1) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -0.742 (180deg=-1.13) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -70:sc= 0.863 USER MOD Single : A 20 SER OG : rot -60:sc= -0.194 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 25 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.0782 (180deg=-0.476) USER MOD Single : A 31 GLN : amide:sc= -1.06 K(o=-1.1,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= -0.187 (180deg=-1.01) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.27 K(o=-1.3,f=-7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00528 X(o=-0.0053,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -2.47 K(o=-2.5,f=-4.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 31:sc= -1.87! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 53.420 -9.470 0.767 1.00 0.00 N ATOM 21 CA GLN A 2 53.477 -8.717 2.016 1.00 0.00 C ATOM 22 C GLN A 2 54.795 -8.987 2.730 1.00 0.00 C ATOM 23 O GLN A 2 54.946 -10.002 3.410 1.00 0.00 O ATOM 24 CB GLN A 2 52.308 -9.108 2.925 1.00 0.00 C ATOM 25 CG GLN A 2 51.076 -8.280 2.556 1.00 0.00 C ATOM 26 CD GLN A 2 49.888 -8.710 3.408 1.00 0.00 C ATOM 27 OE1 GLN A 2 49.252 -9.724 3.124 1.00 0.00 O ATOM 28 NE2 GLN A 2 49.547 -7.993 4.445 1.00 0.00 N ATOM 0 HA GLN A 2 53.406 -7.654 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 2 52.090 -10.171 2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 2 52.573 -8.940 3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 2 51.280 -7.220 2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 2 50.843 -8.410 1.499 1.00 0.00 H new ATOM 0 HE21 GLN A 2 50.075 -7.152 4.680 1.00 0.00 H new ATOM 0 HE22 GLN A 2 48.753 -8.274 5.020 1.00 0.00 H new ATOM 37 N ILE A 3 55.748 -8.076 2.560 1.00 0.00 N ATOM 38 CA ILE A 3 57.058 -8.221 3.182 1.00 0.00 C ATOM 39 C ILE A 3 57.413 -6.978 3.993 1.00 0.00 C ATOM 40 O ILE A 3 56.901 -5.889 3.732 1.00 0.00 O ATOM 41 CB ILE A 3 58.114 -8.459 2.102 1.00 0.00 C ATOM 42 CG1 ILE A 3 58.009 -7.371 1.029 1.00 0.00 C ATOM 43 CG2 ILE A 3 57.878 -9.825 1.456 1.00 0.00 C ATOM 44 CD1 ILE A 3 59.334 -7.274 0.276 1.00 0.00 C ATOM 0 H ILE A 3 55.638 -7.232 1.998 1.00 0.00 H new ATOM 0 HA ILE A 3 57.031 -9.075 3.859 1.00 0.00 H new ATOM 0 HB ILE A 3 59.105 -8.429 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 3 57.200 -7.604 0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 3 57.768 -6.413 1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 3 58.629 -9.998 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 3 57.951 -10.604 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 3 56.885 -9.848 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 3 59.262 -6.500 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 3 60.132 -7.021 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 3 59.555 -8.231 -0.196 1.00 0.00 H new ATOM 56 N PHE A 4 58.290 -7.151 4.979 1.00 0.00 N ATOM 57 CA PHE A 4 58.708 -6.038 5.825 1.00 0.00 C ATOM 58 C PHE A 4 60.132 -5.611 5.489 1.00 0.00 C ATOM 59 O PHE A 4 60.998 -6.449 5.237 1.00 0.00 O ATOM 60 CB PHE A 4 58.631 -6.446 7.298 1.00 0.00 C ATOM 61 CG PHE A 4 57.188 -6.469 7.738 1.00 0.00 C ATOM 62 CD1 PHE A 4 56.531 -7.692 7.919 1.00 0.00 C ATOM 63 CD2 PHE A 4 56.507 -5.267 7.966 1.00 0.00 C ATOM 64 CE1 PHE A 4 55.192 -7.714 8.326 1.00 0.00 C ATOM 65 CE2 PHE A 4 55.167 -5.288 8.374 1.00 0.00 C ATOM 66 CZ PHE A 4 54.509 -6.512 8.554 1.00 0.00 C ATOM 0 H PHE A 4 58.722 -8.046 5.210 1.00 0.00 H new ATOM 0 HA PHE A 4 58.038 -5.198 5.643 1.00 0.00 H new ATOM 0 HB2 PHE A 4 59.081 -7.429 7.438 1.00 0.00 H new ATOM 0 HB3 PHE A 4 59.198 -5.745 7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 4 57.058 -8.619 7.745 1.00 0.00 H new ATOM 0 HD2 PHE A 4 57.015 -4.324 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 4 54.685 -8.658 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 4 54.641 -4.361 8.550 1.00 0.00 H new ATOM 0 HZ PHE A 4 53.476 -6.529 8.868 1.00 0.00 H new ATOM 76 N VAL A 5 60.364 -4.300 5.490 1.00 0.00 N ATOM 77 CA VAL A 5 61.685 -3.759 5.187 1.00 0.00 C ATOM 78 C VAL A 5 62.181 -2.890 6.339 1.00 0.00 C ATOM 79 O VAL A 5 61.494 -1.961 6.765 1.00 0.00 O ATOM 80 CB VAL A 5 61.625 -2.929 3.904 1.00 0.00 C ATOM 81 CG1 VAL A 5 63.020 -2.390 3.577 1.00 0.00 C ATOM 82 CG2 VAL A 5 61.137 -3.807 2.751 1.00 0.00 C ATOM 0 H VAL A 5 59.656 -3.595 5.697 1.00 0.00 H new ATOM 0 HA VAL A 5 62.378 -4.589 5.049 1.00 0.00 H new ATOM 0 HB VAL A 5 60.937 -2.095 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 5 62.976 -1.799 2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.370 -1.764 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.709 -3.223 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 5 61.094 -3.216 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 5 61.825 -4.641 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 5 60.143 -4.191 2.982 1.00 0.00 H new ATOM 92 N LYS A 6 63.371 -3.200 6.840 1.00 0.00 N ATOM 93 CA LYS A 6 63.943 -2.441 7.947 1.00 0.00 C ATOM 94 C LYS A 6 64.935 -1.402 7.433 1.00 0.00 C ATOM 95 O LYS A 6 65.795 -1.708 6.607 1.00 0.00 O ATOM 96 CB LYS A 6 64.650 -3.387 8.919 1.00 0.00 C ATOM 97 CG LYS A 6 65.400 -2.569 9.973 1.00 0.00 C ATOM 98 CD LYS A 6 65.684 -3.447 11.194 1.00 0.00 C ATOM 99 CE LYS A 6 66.719 -2.761 12.086 1.00 0.00 C ATOM 100 NZ LYS A 6 66.275 -1.369 12.383 1.00 0.00 N ATOM 0 H LYS A 6 63.955 -3.965 6.501 1.00 0.00 H new ATOM 0 HA LYS A 6 63.133 -1.926 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.923 -4.041 9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 6 65.346 -4.028 8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 6 66.335 -2.191 9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 6 64.807 -1.702 10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 6 64.764 -3.620 11.753 1.00 0.00 H new ATOM 0 HD3 LYS A 6 66.052 -4.423 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 6 66.843 -3.320 13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 6 67.690 -2.747 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 66.895 -0.954 13.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 66.324 -0.796 11.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 65.296 -1.384 12.733 1.00 0.00 H new ATOM 114 N THR A 7 64.809 -0.175 7.929 1.00 0.00 N ATOM 115 CA THR A 7 65.697 0.906 7.519 1.00 0.00 C ATOM 116 C THR A 7 66.675 1.251 8.639 1.00 0.00 C ATOM 117 O THR A 7 66.714 0.578 9.669 1.00 0.00 O ATOM 118 CB THR A 7 64.877 2.147 7.156 1.00 0.00 C ATOM 119 OG1 THR A 7 64.341 2.720 8.341 1.00 0.00 O ATOM 120 CG2 THR A 7 63.738 1.752 6.216 1.00 0.00 C ATOM 0 H THR A 7 64.102 0.095 8.614 1.00 0.00 H new ATOM 0 HA THR A 7 66.262 0.575 6.647 1.00 0.00 H new ATOM 0 HB THR A 7 65.518 2.874 6.658 1.00 0.00 H new ATOM 0 HG1 THR A 7 63.506 2.264 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 7 63.155 2.637 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.151 1.313 5.308 1.00 0.00 H new ATOM 0 HG23 THR A 7 63.094 1.025 6.710 1.00 0.00 H new ATOM 128 N LEU A 8 67.459 2.302 8.430 1.00 0.00 N ATOM 129 CA LEU A 8 68.433 2.726 9.430 1.00 0.00 C ATOM 130 C LEU A 8 67.753 3.545 10.521 1.00 0.00 C ATOM 131 O LEU A 8 68.365 3.876 11.537 1.00 0.00 O ATOM 132 CB LEU A 8 69.533 3.564 8.771 1.00 0.00 C ATOM 133 CG LEU A 8 70.183 2.767 7.636 1.00 0.00 C ATOM 134 CD1 LEU A 8 71.250 3.626 6.955 1.00 0.00 C ATOM 135 CD2 LEU A 8 70.837 1.501 8.200 1.00 0.00 C ATOM 0 H LEU A 8 67.441 2.873 7.585 1.00 0.00 H new ATOM 0 HA LEU A 8 68.876 1.837 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 8 69.113 4.491 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 8 70.285 3.840 9.510 1.00 0.00 H new ATOM 0 HG LEU A 8 69.419 2.488 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 8 71.713 3.059 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 8 70.788 4.526 6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 8 72.011 3.906 7.683 1.00 0.00 H new ATOM 0 HD21 LEU A 8 71.298 0.937 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 8 71.599 1.779 8.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 70.079 0.885 8.685 1.00 0.00 H new ATOM 147 N THR A 9 66.483 3.872 10.306 1.00 0.00 N ATOM 148 CA THR A 9 65.728 4.654 11.278 1.00 0.00 C ATOM 149 C THR A 9 64.924 3.738 12.195 1.00 0.00 C ATOM 150 O THR A 9 64.301 4.195 13.153 1.00 0.00 O ATOM 151 CB THR A 9 64.781 5.614 10.553 1.00 0.00 C ATOM 152 OG1 THR A 9 63.576 4.933 10.232 1.00 0.00 O ATOM 153 CG2 THR A 9 65.444 6.117 9.271 1.00 0.00 C ATOM 0 H THR A 9 65.957 3.609 9.472 1.00 0.00 H new ATOM 0 HA THR A 9 66.432 5.226 11.882 1.00 0.00 H new ATOM 0 HB THR A 9 64.558 6.463 11.199 1.00 0.00 H new ATOM 0 HG1 THR A 9 63.770 4.198 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 9 64.769 6.800 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 9 66.368 6.639 9.520 1.00 0.00 H new ATOM 0 HG23 THR A 9 65.669 5.271 8.622 1.00 0.00 H new ATOM 161 N GLY A 10 64.945 2.444 11.895 1.00 0.00 N ATOM 162 CA GLY A 10 64.214 1.471 12.702 1.00 0.00 C ATOM 163 C GLY A 10 62.780 1.323 12.206 1.00 0.00 C ATOM 164 O GLY A 10 62.090 0.364 12.552 1.00 0.00 O ATOM 0 H GLY A 10 65.455 2.046 11.106 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.719 0.506 12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 10 64.212 1.786 13.746 1.00 0.00 H new ATOM 168 N LYS A 11 62.336 2.277 11.395 1.00 0.00 N ATOM 169 CA LYS A 11 60.981 2.241 10.858 1.00 0.00 C ATOM 170 C LYS A 11 60.821 1.082 9.882 1.00 0.00 C ATOM 171 O LYS A 11 61.581 0.956 8.923 1.00 0.00 O ATOM 172 CB LYS A 11 60.666 3.558 10.144 1.00 0.00 C ATOM 173 CG LYS A 11 59.175 3.614 9.809 1.00 0.00 C ATOM 174 CD LYS A 11 58.998 3.995 8.338 1.00 0.00 C ATOM 175 CE LYS A 11 57.518 4.258 8.053 1.00 0.00 C ATOM 176 NZ LYS A 11 56.686 3.605 9.104 1.00 0.00 N ATOM 0 H LYS A 11 62.890 3.080 11.097 1.00 0.00 H new ATOM 0 HA LYS A 11 60.287 2.102 11.687 1.00 0.00 H new ATOM 0 HB2 LYS A 11 60.939 4.402 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 11 61.258 3.640 9.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 58.711 2.647 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 11 58.675 4.342 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 11 59.587 4.883 8.108 1.00 0.00 H new ATOM 0 HD3 LYS A 11 59.366 3.194 7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 11 57.325 5.331 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 11 57.251 3.870 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.691 3.591 8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 57.016 2.630 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 56.769 4.138 9.993 1.00 0.00 H new ATOM 190 N THR A 12 59.827 0.236 10.135 1.00 0.00 N ATOM 191 CA THR A 12 59.576 -0.912 9.270 1.00 0.00 C ATOM 192 C THR A 12 58.509 -0.581 8.233 1.00 0.00 C ATOM 193 O THR A 12 57.421 -0.114 8.577 1.00 0.00 O ATOM 194 CB THR A 12 59.122 -2.109 10.110 1.00 0.00 C ATOM 195 OG1 THR A 12 59.897 -2.173 11.298 1.00 0.00 O ATOM 196 CG2 THR A 12 59.306 -3.397 9.305 1.00 0.00 C ATOM 0 H THR A 12 59.187 0.322 10.925 1.00 0.00 H new ATOM 0 HA THR A 12 60.502 -1.162 8.752 1.00 0.00 H new ATOM 0 HB THR A 12 58.070 -1.994 10.370 1.00 0.00 H new ATOM 0 HG1 THR A 12 59.606 -2.938 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 12 58.983 -4.249 9.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 58.709 -3.345 8.394 1.00 0.00 H new ATOM 0 HG23 THR A 12 60.357 -3.515 9.043 1.00 0.00 H new ATOM 204 N ILE A 13 58.826 -0.822 6.965 1.00 0.00 N ATOM 205 CA ILE A 13 57.889 -0.546 5.882 1.00 0.00 C ATOM 206 C ILE A 13 57.309 -1.844 5.331 1.00 0.00 C ATOM 207 O ILE A 13 57.986 -2.873 5.298 1.00 0.00 O ATOM 208 CB ILE A 13 58.597 0.213 4.758 1.00 0.00 C ATOM 209 CG1 ILE A 13 59.993 0.633 5.230 1.00 0.00 C ATOM 210 CG2 ILE A 13 57.787 1.457 4.388 1.00 0.00 C ATOM 211 CD1 ILE A 13 60.669 1.473 4.147 1.00 0.00 C ATOM 0 H ILE A 13 59.721 -1.206 6.663 1.00 0.00 H new ATOM 0 HA ILE A 13 57.077 0.064 6.278 1.00 0.00 H new ATOM 0 HB ILE A 13 58.686 -0.432 3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 13 59.918 1.205 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 13 60.595 -0.249 5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 13 58.293 1.996 3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 13 56.794 1.158 4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 13 57.696 2.105 5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 13 61.662 1.771 4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 13 60.757 0.886 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 13 60.071 2.363 3.950 1.00 0.00 H new ATOM 223 N THR A 14 56.052 -1.787 4.898 1.00 0.00 N ATOM 224 CA THR A 14 55.389 -2.965 4.346 1.00 0.00 C ATOM 225 C THR A 14 55.286 -2.852 2.829 1.00 0.00 C ATOM 226 O THR A 14 54.673 -1.920 2.308 1.00 0.00 O ATOM 227 CB THR A 14 53.988 -3.104 4.947 1.00 0.00 C ATOM 228 OG1 THR A 14 54.087 -3.165 6.363 1.00 0.00 O ATOM 229 CG2 THR A 14 53.331 -4.383 4.423 1.00 0.00 C ATOM 0 H THR A 14 55.476 -0.945 4.918 1.00 0.00 H new ATOM 0 HA THR A 14 55.979 -3.847 4.596 1.00 0.00 H new ATOM 0 HB THR A 14 53.382 -2.244 4.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 54.492 -4.018 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.334 -4.481 4.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.256 -4.335 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 14 53.935 -5.245 4.707 1.00 0.00 H new ATOM 237 N LEU A 15 55.890 -3.809 2.127 1.00 0.00 N ATOM 238 CA LEU A 15 55.866 -3.814 0.668 1.00 0.00 C ATOM 239 C LEU A 15 55.175 -5.071 0.149 1.00 0.00 C ATOM 240 O LEU A 15 55.392 -6.168 0.663 1.00 0.00 O ATOM 241 CB LEU A 15 57.296 -3.756 0.126 1.00 0.00 C ATOM 242 CG LEU A 15 57.676 -2.302 -0.159 1.00 0.00 C ATOM 243 CD1 LEU A 15 57.510 -1.471 1.114 1.00 0.00 C ATOM 244 CD2 LEU A 15 59.133 -2.238 -0.621 1.00 0.00 C ATOM 0 H LEU A 15 56.400 -4.588 2.544 1.00 0.00 H new ATOM 0 HA LEU A 15 55.310 -2.940 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 15 57.988 -4.189 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 15 57.375 -4.349 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 15 57.028 -1.904 -0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 15 57.781 -0.435 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 56.473 -1.516 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 15 58.158 -1.869 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 59.405 -1.202 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 15 59.780 -2.636 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 15 59.253 -2.830 -1.529 1.00 0.00 H new ATOM 256 N GLU A 16 54.342 -4.901 -0.874 1.00 0.00 N ATOM 257 CA GLU A 16 53.622 -6.028 -1.458 1.00 0.00 C ATOM 258 C GLU A 16 54.251 -6.435 -2.786 1.00 0.00 C ATOM 259 O GLU A 16 54.443 -5.604 -3.673 1.00 0.00 O ATOM 260 CB GLU A 16 52.154 -5.652 -1.680 1.00 0.00 C ATOM 261 CG GLU A 16 51.535 -5.205 -0.355 1.00 0.00 C ATOM 262 CD GLU A 16 51.561 -3.684 -0.254 1.00 0.00 C ATOM 263 OE1 GLU A 16 52.463 -3.088 -0.820 1.00 0.00 O ATOM 264 OE2 GLU A 16 50.679 -3.137 0.387 1.00 0.00 O ATOM 0 H GLU A 16 54.150 -4.001 -1.313 1.00 0.00 H new ATOM 0 HA GLU A 16 53.681 -6.870 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 52.080 -4.852 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 16 51.606 -6.505 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 16 50.509 -5.565 -0.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 52.085 -5.642 0.478 1.00 0.00 H new ATOM 271 N VAL A 17 54.570 -7.720 -2.915 1.00 0.00 N ATOM 272 CA VAL A 17 55.177 -8.225 -4.140 1.00 0.00 C ATOM 273 C VAL A 17 54.736 -9.662 -4.403 1.00 0.00 C ATOM 274 O VAL A 17 54.237 -10.339 -3.506 1.00 0.00 O ATOM 275 CB VAL A 17 56.701 -8.170 -4.030 1.00 0.00 C ATOM 276 CG1 VAL A 17 57.145 -6.724 -3.800 1.00 0.00 C ATOM 277 CG2 VAL A 17 57.158 -9.034 -2.853 1.00 0.00 C ATOM 0 H VAL A 17 54.419 -8.424 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 17 54.850 -7.598 -4.970 1.00 0.00 H new ATOM 0 HB VAL A 17 57.145 -8.545 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 17 58.231 -6.685 -3.722 1.00 0.00 H new ATOM 0 HG12 VAL A 17 56.819 -6.106 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 17 56.701 -6.349 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 17 58.244 -8.996 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 17 56.713 -8.658 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 17 56.842 -10.065 -3.014 1.00 0.00 H new ATOM 287 N GLU A 18 54.924 -10.117 -5.638 1.00 0.00 N ATOM 288 CA GLU A 18 54.542 -11.475 -6.011 1.00 0.00 C ATOM 289 C GLU A 18 55.651 -12.130 -6.838 1.00 0.00 C ATOM 290 O GLU A 18 56.435 -11.436 -7.486 1.00 0.00 O ATOM 291 CB GLU A 18 53.247 -11.443 -6.830 1.00 0.00 C ATOM 292 CG GLU A 18 52.556 -10.090 -6.645 1.00 0.00 C ATOM 293 CD GLU A 18 51.196 -10.101 -7.335 1.00 0.00 C ATOM 294 OE1 GLU A 18 50.216 -10.382 -6.668 1.00 0.00 O ATOM 295 OE2 GLU A 18 51.157 -9.829 -8.524 1.00 0.00 O ATOM 0 H GLU A 18 55.336 -9.569 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 18 54.385 -12.056 -5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 18 53.468 -11.609 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 18 52.584 -12.248 -6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 18 52.433 -9.877 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 18 53.177 -9.296 -7.059 1.00 0.00 H new ATOM 302 N PRO A 19 55.735 -13.442 -6.838 1.00 0.00 N ATOM 303 CA PRO A 19 56.775 -14.170 -7.614 1.00 0.00 C ATOM 304 C PRO A 19 57.018 -13.534 -8.981 1.00 0.00 C ATOM 305 O PRO A 19 58.112 -13.636 -9.537 1.00 0.00 O ATOM 306 CB PRO A 19 56.188 -15.573 -7.762 1.00 0.00 C ATOM 307 CG PRO A 19 55.298 -15.763 -6.578 1.00 0.00 C ATOM 308 CD PRO A 19 54.858 -14.372 -6.106 1.00 0.00 C ATOM 0 HA PRO A 19 57.746 -14.157 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 19 55.628 -15.667 -8.692 1.00 0.00 H new ATOM 0 HB3 PRO A 19 56.975 -16.327 -7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 19 54.432 -16.370 -6.842 1.00 0.00 H new ATOM 0 HG3 PRO A 19 55.825 -16.289 -5.782 1.00 0.00 H new ATOM 0 HD2 PRO A 19 53.808 -14.189 -6.333 1.00 0.00 H new ATOM 0 HD3 PRO A 19 54.975 -14.263 -5.028 1.00 0.00 H new ATOM 316 N SER A 20 55.991 -12.882 -9.513 1.00 0.00 N ATOM 317 CA SER A 20 56.101 -12.234 -10.815 1.00 0.00 C ATOM 318 C SER A 20 56.882 -10.928 -10.699 1.00 0.00 C ATOM 319 O SER A 20 57.706 -10.609 -11.556 1.00 0.00 O ATOM 320 CB SER A 20 54.709 -11.949 -11.377 1.00 0.00 C ATOM 321 OG SER A 20 54.234 -10.716 -10.853 1.00 0.00 O ATOM 0 H SER A 20 55.079 -12.788 -9.067 1.00 0.00 H new ATOM 0 HA SER A 20 56.634 -12.905 -11.489 1.00 0.00 H new ATOM 0 HB2 SER A 20 54.746 -11.905 -12.465 1.00 0.00 H new ATOM 0 HB3 SER A 20 54.026 -12.756 -11.114 1.00 0.00 H new ATOM 0 HG SER A 20 54.186 -10.773 -9.876 1.00 0.00 H new ATOM 327 N ASP A 21 56.615 -10.175 -9.637 1.00 0.00 N ATOM 328 CA ASP A 21 57.299 -8.905 -9.421 1.00 0.00 C ATOM 329 C ASP A 21 58.745 -9.139 -8.997 1.00 0.00 C ATOM 330 O ASP A 21 59.029 -10.022 -8.188 1.00 0.00 O ATOM 331 CB ASP A 21 56.571 -8.097 -8.344 1.00 0.00 C ATOM 332 CG ASP A 21 57.224 -6.728 -8.193 1.00 0.00 C ATOM 333 OD1 ASP A 21 58.355 -6.678 -7.736 1.00 0.00 O ATOM 334 OD2 ASP A 21 56.585 -5.748 -8.538 1.00 0.00 O ATOM 0 H ASP A 21 55.935 -10.420 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 21 57.295 -8.347 -10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 21 55.521 -7.981 -8.612 1.00 0.00 H new ATOM 0 HB3 ASP A 21 56.601 -8.631 -7.394 1.00 0.00 H new ATOM 339 N THR A 22 59.654 -8.342 -9.549 1.00 0.00 N ATOM 340 CA THR A 22 61.068 -8.471 -9.220 1.00 0.00 C ATOM 341 C THR A 22 61.471 -7.435 -8.175 1.00 0.00 C ATOM 342 O THR A 22 60.721 -6.499 -7.893 1.00 0.00 O ATOM 343 CB THR A 22 61.916 -8.285 -10.480 1.00 0.00 C ATOM 344 OG1 THR A 22 62.023 -6.900 -10.776 1.00 0.00 O ATOM 345 CG2 THR A 22 61.257 -9.010 -11.653 1.00 0.00 C ATOM 0 H THR A 22 59.439 -7.606 -10.221 1.00 0.00 H new ATOM 0 HA THR A 22 61.238 -9.467 -8.812 1.00 0.00 H new ATOM 0 HB THR A 22 62.910 -8.699 -10.313 1.00 0.00 H new ATOM 0 HG1 THR A 22 62.567 -6.779 -11.582 1.00 0.00 H new ATOM 0 HG21 THR A 22 61.862 -8.876 -12.550 1.00 0.00 H new ATOM 0 HG22 THR A 22 61.176 -10.073 -11.425 1.00 0.00 H new ATOM 0 HG23 THR A 22 60.262 -8.599 -11.822 1.00 0.00 H new ATOM 353 N ILE A 23 62.659 -7.609 -7.604 1.00 0.00 N ATOM 354 CA ILE A 23 63.150 -6.681 -6.591 1.00 0.00 C ATOM 355 C ILE A 23 63.183 -5.258 -7.138 1.00 0.00 C ATOM 356 O ILE A 23 63.178 -4.291 -6.377 1.00 0.00 O ATOM 357 CB ILE A 23 64.557 -7.090 -6.147 1.00 0.00 C ATOM 358 CG1 ILE A 23 64.511 -8.493 -5.523 1.00 0.00 C ATOM 359 CG2 ILE A 23 65.086 -6.080 -5.126 1.00 0.00 C ATOM 360 CD1 ILE A 23 64.227 -8.397 -4.020 1.00 0.00 C ATOM 0 H ILE A 23 63.294 -8.376 -7.823 1.00 0.00 H new ATOM 0 HA ILE A 23 62.474 -6.715 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 23 65.222 -7.105 -7.010 1.00 0.00 H new ATOM 0 HG12 ILE A 23 63.739 -9.089 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 23 65.460 -9.004 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 23 66.088 -6.372 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 23 65.123 -5.089 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 23 64.425 -6.058 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 23 64.197 -9.398 -3.591 1.00 0.00 H new ATOM 0 HD12 ILE A 23 65.015 -7.819 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 23 63.267 -7.906 -3.862 1.00 0.00 H new ATOM 372 N GLU A 24 63.214 -5.138 -8.461 1.00 0.00 N ATOM 373 CA GLU A 24 63.246 -3.828 -9.099 1.00 0.00 C ATOM 374 C GLU A 24 62.037 -3.000 -8.679 1.00 0.00 C ATOM 375 O GLU A 24 62.160 -1.812 -8.380 1.00 0.00 O ATOM 376 CB GLU A 24 63.254 -3.985 -10.620 1.00 0.00 C ATOM 377 CG GLU A 24 64.185 -2.942 -11.239 1.00 0.00 C ATOM 378 CD GLU A 24 63.945 -2.854 -12.741 1.00 0.00 C ATOM 379 OE1 GLU A 24 64.435 -1.914 -13.345 1.00 0.00 O ATOM 380 OE2 GLU A 24 63.275 -3.726 -13.266 1.00 0.00 O ATOM 0 H GLU A 24 63.218 -5.926 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 24 64.154 -3.314 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 24 63.584 -4.988 -10.890 1.00 0.00 H new ATOM 0 HB3 GLU A 24 62.245 -3.865 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 24 64.013 -1.970 -10.778 1.00 0.00 H new ATOM 0 HG3 GLU A 24 65.224 -3.208 -11.044 1.00 0.00 H new ATOM 387 N ASN A 25 60.870 -3.635 -8.654 1.00 0.00 N ATOM 388 CA ASN A 25 59.645 -2.945 -8.266 1.00 0.00 C ATOM 389 C ASN A 25 59.717 -2.513 -6.805 1.00 0.00 C ATOM 390 O ASN A 25 59.286 -1.416 -6.450 1.00 0.00 O ATOM 391 CB ASN A 25 58.439 -3.864 -8.471 1.00 0.00 C ATOM 392 CG ASN A 25 57.330 -3.112 -9.199 1.00 0.00 C ATOM 393 OD1 ASN A 25 56.740 -2.184 -8.645 1.00 0.00 O ATOM 394 ND2 ASN A 25 57.013 -3.456 -10.417 1.00 0.00 N ATOM 0 H ASN A 25 60.747 -4.618 -8.896 1.00 0.00 H new ATOM 0 HA ASN A 25 59.534 -2.059 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 25 58.733 -4.742 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN A 25 58.076 -4.222 -7.508 1.00 0.00 H new ATOM 0 HD21 ASN A 25 56.275 -2.956 -10.912 1.00 0.00 H new ATOM 0 HD22 ASN A 25 57.503 -4.225 -10.874 1.00 0.00 H new ATOM 401 N ALA A 26 60.267 -3.381 -5.962 1.00 0.00 N ATOM 402 CA ALA A 26 60.393 -3.079 -4.542 1.00 0.00 C ATOM 403 C ALA A 26 61.253 -1.835 -4.339 1.00 0.00 C ATOM 404 O ALA A 26 60.911 -0.954 -3.549 1.00 0.00 O ATOM 405 CB ALA A 26 61.023 -4.262 -3.807 1.00 0.00 C ATOM 0 H ALA A 26 60.630 -4.294 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 26 59.398 -2.893 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 26 61.113 -4.026 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 26 60.394 -5.144 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 26 62.012 -4.461 -4.219 1.00 0.00 H new ATOM 411 N LYS A 27 62.366 -1.769 -5.060 1.00 0.00 N ATOM 412 CA LYS A 27 63.268 -0.628 -4.955 1.00 0.00 C ATOM 413 C LYS A 27 62.581 0.639 -5.451 1.00 0.00 C ATOM 414 O LYS A 27 62.724 1.709 -4.859 1.00 0.00 O ATOM 415 CB LYS A 27 64.532 -0.882 -5.780 1.00 0.00 C ATOM 416 CG LYS A 27 65.440 -1.861 -5.033 1.00 0.00 C ATOM 417 CD LYS A 27 66.384 -2.541 -6.024 1.00 0.00 C ATOM 418 CE LYS A 27 67.204 -1.480 -6.761 1.00 0.00 C ATOM 419 NZ LYS A 27 68.435 -2.103 -7.324 1.00 0.00 N ATOM 0 H LYS A 27 62.665 -2.487 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 27 63.540 -0.497 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 27 64.267 -1.288 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 27 65.058 0.056 -5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 66.014 -1.332 -4.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 64.839 -2.609 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 67.047 -3.227 -5.498 1.00 0.00 H new ATOM 0 HD3 LYS A 27 65.813 -3.134 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 27 66.610 -1.037 -7.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 67.472 -0.674 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 68.992 -1.381 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 69.004 -2.506 -6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 68.169 -2.858 -7.988 1.00 0.00 H new ATOM 433 N ALA A 28 61.832 0.511 -6.542 1.00 0.00 N ATOM 434 CA ALA A 28 61.123 1.652 -7.109 1.00 0.00 C ATOM 435 C ALA A 28 60.003 2.100 -6.176 1.00 0.00 C ATOM 436 O ALA A 28 59.675 3.285 -6.108 1.00 0.00 O ATOM 437 CB ALA A 28 60.537 1.279 -8.472 1.00 0.00 C ATOM 0 H ALA A 28 61.701 -0.365 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 28 61.830 2.472 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 28 60.009 2.137 -8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 28 61.342 0.986 -9.146 1.00 0.00 H new ATOM 0 HB3 ALA A 28 59.842 0.448 -8.354 1.00 0.00 H new ATOM 443 N LYS A 29 59.421 1.145 -5.458 1.00 0.00 N ATOM 444 CA LYS A 29 58.339 1.452 -4.530 1.00 0.00 C ATOM 445 C LYS A 29 58.861 2.270 -3.354 1.00 0.00 C ATOM 446 O LYS A 29 58.286 3.299 -2.997 1.00 0.00 O ATOM 447 CB LYS A 29 57.710 0.157 -4.014 1.00 0.00 C ATOM 448 CG LYS A 29 56.409 -0.116 -4.771 1.00 0.00 C ATOM 449 CD LYS A 29 55.806 -1.438 -4.292 1.00 0.00 C ATOM 450 CE LYS A 29 54.308 -1.254 -4.036 1.00 0.00 C ATOM 451 NZ LYS A 29 54.112 -0.343 -2.873 1.00 0.00 N ATOM 0 H LYS A 29 59.678 0.159 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 29 57.585 2.035 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.402 -0.674 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 29 57.511 0.238 -2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 29 55.703 0.698 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 29 56.602 -0.160 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 29 55.965 -2.215 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 29 56.304 -1.767 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 29 53.825 -0.840 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.840 -2.219 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 53.238 -0.602 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 54.921 -0.429 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 54.040 0.639 -3.209 1.00 0.00 H new ATOM 465 N ILE A 30 59.954 1.808 -2.756 1.00 0.00 N ATOM 466 CA ILE A 30 60.547 2.506 -1.622 1.00 0.00 C ATOM 467 C ILE A 30 60.982 3.910 -2.027 1.00 0.00 C ATOM 468 O ILE A 30 60.921 4.844 -1.229 1.00 0.00 O ATOM 469 CB ILE A 30 61.755 1.728 -1.101 1.00 0.00 C ATOM 470 CG1 ILE A 30 61.275 0.603 -0.182 1.00 0.00 C ATOM 471 CG2 ILE A 30 62.674 2.667 -0.317 1.00 0.00 C ATOM 472 CD1 ILE A 30 62.207 -0.597 -0.318 1.00 0.00 C ATOM 0 H ILE A 30 60.444 0.959 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 30 59.797 2.581 -0.834 1.00 0.00 H new ATOM 0 HB ILE A 30 62.304 1.306 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 30 61.256 0.947 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 30 60.256 0.317 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 63.534 2.109 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 30 63.016 3.470 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 30 62.127 3.092 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 30 61.866 -1.399 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 30 62.203 -0.945 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 30 63.219 -0.305 -0.037 1.00 0.00 H new ATOM 484 N GLN A 31 61.425 4.046 -3.270 1.00 0.00 N ATOM 485 CA GLN A 31 61.876 5.337 -3.777 1.00 0.00 C ATOM 486 C GLN A 31 60.762 6.376 -3.686 1.00 0.00 C ATOM 487 O GLN A 31 60.999 7.517 -3.298 1.00 0.00 O ATOM 488 CB GLN A 31 62.325 5.195 -5.233 1.00 0.00 C ATOM 489 CG GLN A 31 62.391 6.575 -5.890 1.00 0.00 C ATOM 490 CD GLN A 31 63.253 6.514 -7.145 1.00 0.00 C ATOM 491 OE1 GLN A 31 63.306 5.480 -7.812 1.00 0.00 O ATOM 492 NE2 GLN A 31 63.934 7.565 -7.511 1.00 0.00 N ATOM 0 H GLN A 31 61.482 3.282 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 31 62.714 5.671 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 31 63.302 4.714 -5.277 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.630 4.556 -5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.387 6.914 -6.145 1.00 0.00 H new ATOM 0 HG3 GLN A 31 62.804 7.301 -5.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.889 8.420 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.512 7.531 -8.351 1.00 0.00 H new ATOM 501 N ASP A 32 59.550 5.978 -4.056 1.00 0.00 N ATOM 502 CA ASP A 32 58.414 6.893 -4.022 1.00 0.00 C ATOM 503 C ASP A 32 57.926 7.116 -2.592 1.00 0.00 C ATOM 504 O ASP A 32 57.187 8.064 -2.323 1.00 0.00 O ATOM 505 CB ASP A 32 57.271 6.332 -4.868 1.00 0.00 C ATOM 506 CG ASP A 32 55.930 6.668 -4.224 1.00 0.00 C ATOM 507 OD1 ASP A 32 55.513 7.809 -4.329 1.00 0.00 O ATOM 508 OD2 ASP A 32 55.339 5.777 -3.635 1.00 0.00 O ATOM 0 H ASP A 32 59.329 5.037 -4.380 1.00 0.00 H new ATOM 0 HA ASP A 32 58.740 7.851 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 32 57.315 6.748 -5.874 1.00 0.00 H new ATOM 0 HB3 ASP A 32 57.376 5.251 -4.965 1.00 0.00 H new ATOM 513 N LYS A 33 58.331 6.239 -1.679 1.00 0.00 N ATOM 514 CA LYS A 33 57.911 6.359 -0.288 1.00 0.00 C ATOM 515 C LYS A 33 58.933 7.141 0.535 1.00 0.00 C ATOM 516 O LYS A 33 58.563 7.947 1.391 1.00 0.00 O ATOM 517 CB LYS A 33 57.726 4.969 0.325 1.00 0.00 C ATOM 518 CG LYS A 33 56.697 4.183 -0.488 1.00 0.00 C ATOM 519 CD LYS A 33 55.559 3.730 0.429 1.00 0.00 C ATOM 520 CE LYS A 33 54.540 2.924 -0.380 1.00 0.00 C ATOM 521 NZ LYS A 33 54.216 3.654 -1.639 1.00 0.00 N ATOM 0 H LYS A 33 58.942 5.446 -1.874 1.00 0.00 H new ATOM 0 HA LYS A 33 56.965 6.900 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 33 58.677 4.437 0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 33 57.396 5.058 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 33 56.304 4.803 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 57.170 3.318 -0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 33 55.954 3.123 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 33 55.076 4.596 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 33 54.942 1.938 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 33 53.634 2.769 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 53.259 3.396 -1.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 54.260 4.679 -1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.903 3.397 -2.376 1.00 0.00 H new ATOM 535 N GLU A 34 60.216 6.889 0.287 1.00 0.00 N ATOM 536 CA GLU A 34 61.274 7.569 1.029 1.00 0.00 C ATOM 537 C GLU A 34 61.913 8.683 0.201 1.00 0.00 C ATOM 538 O GLU A 34 62.629 9.526 0.738 1.00 0.00 O ATOM 539 CB GLU A 34 62.348 6.558 1.438 1.00 0.00 C ATOM 540 CG GLU A 34 61.725 5.488 2.336 1.00 0.00 C ATOM 541 CD GLU A 34 62.820 4.620 2.947 1.00 0.00 C ATOM 542 OE1 GLU A 34 63.287 3.723 2.266 1.00 0.00 O ATOM 543 OE2 GLU A 34 63.177 4.867 4.087 1.00 0.00 O ATOM 0 H GLU A 34 60.546 6.226 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 34 60.826 8.019 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 34 62.784 6.096 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 63.157 7.064 1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 34 61.140 5.959 3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 34 61.039 4.869 1.757 1.00 0.00 H new ATOM 550 N GLY A 35 61.655 8.683 -1.102 1.00 0.00 N ATOM 551 CA GLY A 35 62.225 9.706 -1.974 1.00 0.00 C ATOM 552 C GLY A 35 63.706 9.440 -2.221 1.00 0.00 C ATOM 553 O GLY A 35 64.471 10.358 -2.516 1.00 0.00 O ATOM 0 H GLY A 35 61.064 7.998 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 35 61.690 9.721 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 35 62.098 10.689 -1.521 1.00 0.00 H new ATOM 557 N ILE A 36 64.102 8.176 -2.094 1.00 0.00 N ATOM 558 CA ILE A 36 65.496 7.796 -2.300 1.00 0.00 C ATOM 559 C ILE A 36 65.666 7.107 -3.663 1.00 0.00 C ATOM 560 O ILE A 36 64.880 6.223 -4.004 1.00 0.00 O ATOM 561 CB ILE A 36 65.930 6.838 -1.185 1.00 0.00 C ATOM 562 CG1 ILE A 36 65.603 7.459 0.174 1.00 0.00 C ATOM 563 CG2 ILE A 36 67.437 6.584 -1.274 1.00 0.00 C ATOM 564 CD1 ILE A 36 65.952 6.470 1.287 1.00 0.00 C ATOM 0 H ILE A 36 63.482 7.403 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 36 66.115 8.693 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 36 65.398 5.893 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 36 66.164 8.384 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 36 64.545 7.718 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 36 67.739 5.902 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 36 67.675 6.141 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 36 67.972 7.527 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.718 6.914 2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.372 5.557 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 36 67.015 6.234 1.243 1.00 0.00 H new ATOM 576 N PRO A 37 66.661 7.471 -4.451 1.00 0.00 N ATOM 577 CA PRO A 37 66.881 6.835 -5.785 1.00 0.00 C ATOM 578 C PRO A 37 67.416 5.407 -5.655 1.00 0.00 C ATOM 579 O PRO A 37 67.935 5.028 -4.604 1.00 0.00 O ATOM 580 CB PRO A 37 67.909 7.744 -6.462 1.00 0.00 C ATOM 581 CG PRO A 37 68.643 8.414 -5.350 1.00 0.00 C ATOM 582 CD PRO A 37 67.673 8.510 -4.175 1.00 0.00 C ATOM 0 HA PRO A 37 65.955 6.743 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 37 68.589 7.168 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 37 67.422 8.475 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 37 69.530 7.844 -5.073 1.00 0.00 H new ATOM 0 HG3 PRO A 37 68.983 9.405 -5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 37 68.179 8.331 -3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 37 67.220 9.500 -4.113 1.00 0.00 H new ATOM 590 N PRO A 38 67.299 4.614 -6.691 1.00 0.00 N ATOM 591 CA PRO A 38 67.781 3.200 -6.683 1.00 0.00 C ATOM 592 C PRO A 38 69.306 3.099 -6.694 1.00 0.00 C ATOM 593 O PRO A 38 69.872 2.091 -6.271 1.00 0.00 O ATOM 594 CB PRO A 38 67.193 2.608 -7.965 1.00 0.00 C ATOM 595 CG PRO A 38 66.986 3.771 -8.878 1.00 0.00 C ATOM 596 CD PRO A 38 66.697 4.977 -7.987 1.00 0.00 C ATOM 0 HA PRO A 38 67.472 2.676 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 38 67.870 1.877 -8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 38 66.253 2.093 -7.765 1.00 0.00 H new ATOM 0 HG2 PRO A 38 67.870 3.945 -9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 38 66.157 3.585 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.139 5.887 -8.392 1.00 0.00 H new ATOM 0 HD3 PRO A 38 65.626 5.157 -7.893 1.00 0.00 H new ATOM 604 N ASP A 39 69.960 4.144 -7.187 1.00 0.00 N ATOM 605 CA ASP A 39 71.418 4.156 -7.258 1.00 0.00 C ATOM 606 C ASP A 39 72.037 4.204 -5.862 1.00 0.00 C ATOM 607 O ASP A 39 73.163 3.745 -5.661 1.00 0.00 O ATOM 608 CB ASP A 39 71.890 5.366 -8.066 1.00 0.00 C ATOM 609 CG ASP A 39 71.265 6.640 -7.511 1.00 0.00 C ATOM 610 OD1 ASP A 39 71.221 6.774 -6.299 1.00 0.00 O ATOM 611 OD2 ASP A 39 70.835 7.461 -8.304 1.00 0.00 O ATOM 0 H ASP A 39 69.510 4.988 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 39 71.740 3.237 -7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 39 72.977 5.438 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 39 71.616 5.243 -9.114 1.00 0.00 H new ATOM 616 N GLN A 40 71.303 4.765 -4.905 1.00 0.00 N ATOM 617 CA GLN A 40 71.801 4.871 -3.537 1.00 0.00 C ATOM 618 C GLN A 40 71.126 3.850 -2.626 1.00 0.00 C ATOM 619 O GLN A 40 71.586 3.604 -1.511 1.00 0.00 O ATOM 620 CB GLN A 40 71.547 6.280 -2.998 1.00 0.00 C ATOM 621 CG GLN A 40 72.666 7.216 -3.462 1.00 0.00 C ATOM 622 CD GLN A 40 72.151 8.650 -3.535 1.00 0.00 C ATOM 623 OE1 GLN A 40 71.713 9.204 -2.527 1.00 0.00 O ATOM 624 NE2 GLN A 40 72.180 9.285 -4.674 1.00 0.00 N ATOM 0 H GLN A 40 70.370 5.150 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 40 72.872 4.669 -3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.583 6.647 -3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.503 6.261 -1.909 1.00 0.00 H new ATOM 0 HG2 GLN A 40 73.509 7.158 -2.773 1.00 0.00 H new ATOM 0 HG3 GLN A 40 73.032 6.902 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 40 72.544 8.822 -5.507 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.839 10.245 -4.732 1.00 0.00 H new ATOM 633 N GLN A 41 70.035 3.262 -3.102 1.00 0.00 N ATOM 634 CA GLN A 41 69.308 2.273 -2.311 1.00 0.00 C ATOM 635 C GLN A 41 69.952 0.896 -2.441 1.00 0.00 C ATOM 636 O GLN A 41 70.361 0.490 -3.527 1.00 0.00 O ATOM 637 CB GLN A 41 67.854 2.199 -2.777 1.00 0.00 C ATOM 638 CG GLN A 41 66.923 2.444 -1.587 1.00 0.00 C ATOM 639 CD GLN A 41 65.475 2.234 -2.016 1.00 0.00 C ATOM 640 OE1 GLN A 41 64.854 1.238 -1.644 1.00 0.00 O ATOM 641 NE2 GLN A 41 64.900 3.114 -2.789 1.00 0.00 N ATOM 0 H GLN A 41 69.636 3.449 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 41 69.343 2.580 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 41 67.672 2.942 -3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 41 67.651 1.222 -3.216 1.00 0.00 H new ATOM 0 HG2 GLN A 41 67.173 1.765 -0.772 1.00 0.00 H new ATOM 0 HG3 GLN A 41 67.057 3.458 -1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 41 65.417 3.938 -3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 41 63.934 2.978 -3.086 1.00 0.00 H new ATOM 650 N ARG A 42 70.031 0.185 -1.320 1.00 0.00 N ATOM 651 CA ARG A 42 70.620 -1.150 -1.309 1.00 0.00 C ATOM 652 C ARG A 42 69.735 -2.111 -0.520 1.00 0.00 C ATOM 653 O ARG A 42 69.576 -1.964 0.692 1.00 0.00 O ATOM 654 CB ARG A 42 72.011 -1.099 -0.680 1.00 0.00 C ATOM 655 CG ARG A 42 73.035 -1.677 -1.658 1.00 0.00 C ATOM 656 CD ARG A 42 74.396 -1.773 -0.971 1.00 0.00 C ATOM 657 NE ARG A 42 75.453 -1.943 -1.961 1.00 0.00 N ATOM 658 CZ ARG A 42 75.657 -3.116 -2.554 1.00 0.00 C ATOM 659 NH1 ARG A 42 76.613 -3.245 -3.432 1.00 0.00 N ATOM 660 NH2 ARG A 42 74.900 -4.137 -2.257 1.00 0.00 N ATOM 0 H ARG A 42 69.697 0.509 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 42 70.701 -1.505 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 42 72.271 -0.070 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 72.022 -1.666 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 42 72.715 -2.663 -1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 42 73.106 -1.045 -2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 42 74.579 -0.872 -0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 42 74.401 -2.612 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 42 76.046 -1.149 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 42 77.204 -2.446 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 42 76.770 -4.144 -3.887 1.00 0.00 H new ATOM 0 HH21 ARG A 42 74.152 -4.035 -1.571 1.00 0.00 H new ATOM 0 HH22 ARG A 42 75.056 -5.037 -2.711 1.00 0.00 H new ATOM 674 N LEU A 43 69.159 -3.088 -1.214 1.00 0.00 N ATOM 675 CA LEU A 43 68.285 -4.060 -0.562 1.00 0.00 C ATOM 676 C LEU A 43 69.019 -5.375 -0.321 1.00 0.00 C ATOM 677 O LEU A 43 69.518 -6.000 -1.256 1.00 0.00 O ATOM 678 CB LEU A 43 67.050 -4.312 -1.429 1.00 0.00 C ATOM 679 CG LEU A 43 65.848 -3.564 -0.843 1.00 0.00 C ATOM 680 CD1 LEU A 43 64.678 -3.626 -1.828 1.00 0.00 C ATOM 681 CD2 LEU A 43 65.428 -4.206 0.484 1.00 0.00 C ATOM 0 H LEU A 43 69.279 -3.228 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 43 67.978 -3.653 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 43 67.236 -3.978 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 66.838 -5.380 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 43 66.126 -2.525 -0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 43 63.823 -3.094 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 43 64.970 -3.162 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 43 64.406 -4.667 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 43 64.573 -3.668 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 43 65.154 -5.247 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 43 66.258 -4.160 1.189 1.00 0.00 H new ATOM 693 N ILE A 44 69.070 -5.790 0.942 1.00 0.00 N ATOM 694 CA ILE A 44 69.737 -7.037 1.308 1.00 0.00 C ATOM 695 C ILE A 44 68.837 -7.872 2.213 1.00 0.00 C ATOM 696 O ILE A 44 67.923 -7.345 2.849 1.00 0.00 O ATOM 697 CB ILE A 44 71.053 -6.741 2.033 1.00 0.00 C ATOM 698 CG1 ILE A 44 72.024 -6.021 1.090 1.00 0.00 C ATOM 699 CG2 ILE A 44 71.683 -8.057 2.496 1.00 0.00 C ATOM 700 CD1 ILE A 44 71.881 -4.508 1.267 1.00 0.00 C ATOM 0 H ILE A 44 68.659 -5.284 1.727 1.00 0.00 H new ATOM 0 HA ILE A 44 69.946 -7.595 0.396 1.00 0.00 H new ATOM 0 HB ILE A 44 70.850 -6.103 2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 44 73.048 -6.327 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 44 71.816 -6.298 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 44 72.620 -7.850 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 71.000 -8.568 3.174 1.00 0.00 H new ATOM 0 HG23 ILE A 44 71.878 -8.691 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 44 72.571 -3.996 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 44 70.859 -4.209 1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 44 72.110 -4.239 2.298 1.00 0.00 H new ATOM 712 N PHE A 45 69.103 -9.175 2.267 1.00 0.00 N ATOM 713 CA PHE A 45 68.313 -10.075 3.099 1.00 0.00 C ATOM 714 C PHE A 45 69.228 -10.965 3.936 1.00 0.00 C ATOM 715 O PHE A 45 70.445 -10.959 3.759 1.00 0.00 O ATOM 716 CB PHE A 45 67.410 -10.944 2.219 1.00 0.00 C ATOM 717 CG PHE A 45 66.640 -11.913 3.086 1.00 0.00 C ATOM 718 CD1 PHE A 45 66.911 -13.286 3.018 1.00 0.00 C ATOM 719 CD2 PHE A 45 65.653 -11.438 3.957 1.00 0.00 C ATOM 720 CE1 PHE A 45 66.198 -14.182 3.822 1.00 0.00 C ATOM 721 CE2 PHE A 45 64.938 -12.335 4.761 1.00 0.00 C ATOM 722 CZ PHE A 45 65.211 -13.706 4.694 1.00 0.00 C ATOM 0 H PHE A 45 69.855 -9.628 1.747 1.00 0.00 H new ATOM 0 HA PHE A 45 67.695 -9.477 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 45 66.720 -10.316 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 45 68.010 -11.489 1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 45 67.671 -13.653 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 45 65.443 -10.380 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 45 66.409 -15.240 3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 45 64.176 -11.968 5.433 1.00 0.00 H new ATOM 0 HZ PHE A 45 64.660 -14.397 5.315 1.00 0.00 H new ATOM 879 N LEU A 56 68.643 -11.265 -4.741 1.00 0.00 N ATOM 880 CA LEU A 56 67.654 -11.303 -3.676 1.00 0.00 C ATOM 881 C LEU A 56 66.370 -11.969 -4.162 1.00 0.00 C ATOM 882 O LEU A 56 65.779 -12.786 -3.456 1.00 0.00 O ATOM 883 CB LEU A 56 67.351 -9.875 -3.220 1.00 0.00 C ATOM 884 CG LEU A 56 68.498 -9.314 -2.359 1.00 0.00 C ATOM 885 CD1 LEU A 56 68.417 -9.868 -0.933 1.00 0.00 C ATOM 886 CD2 LEU A 56 69.868 -9.662 -2.960 1.00 0.00 C ATOM 0 HA LEU A 56 68.052 -11.882 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 56 67.199 -9.236 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 56 66.423 -9.861 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 56 68.391 -8.230 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 56 69.235 -9.462 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 56 67.465 -9.582 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 56 68.493 -10.955 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 56 70.657 -9.252 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 56 69.976 -10.745 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 56 69.945 -9.236 -3.960 1.00 0.00 H new ATOM 898 N SER A 57 65.945 -11.614 -5.370 1.00 0.00 N ATOM 899 CA SER A 57 64.729 -12.187 -5.938 1.00 0.00 C ATOM 900 C SER A 57 64.894 -13.687 -6.148 1.00 0.00 C ATOM 901 O SER A 57 63.958 -14.460 -5.947 1.00 0.00 O ATOM 902 CB SER A 57 64.411 -11.515 -7.274 1.00 0.00 C ATOM 903 OG SER A 57 63.010 -11.282 -7.361 1.00 0.00 O ATOM 0 H SER A 57 66.419 -10.939 -5.970 1.00 0.00 H new ATOM 0 HA SER A 57 63.908 -12.017 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 57 64.954 -10.574 -7.359 1.00 0.00 H new ATOM 0 HB3 SER A 57 64.738 -12.147 -8.099 1.00 0.00 H new ATOM 0 HG SER A 57 62.803 -10.850 -8.216 1.00 0.00 H new ATOM 909 N ASP A 58 66.095 -14.093 -6.550 1.00 0.00 N ATOM 910 CA ASP A 58 66.378 -15.502 -6.783 1.00 0.00 C ATOM 911 C ASP A 58 66.277 -16.292 -5.481 1.00 0.00 C ATOM 912 O ASP A 58 66.258 -17.523 -5.490 1.00 0.00 O ATOM 913 CB ASP A 58 67.781 -15.664 -7.370 1.00 0.00 C ATOM 914 CG ASP A 58 67.768 -15.325 -8.856 1.00 0.00 C ATOM 915 OD1 ASP A 58 67.235 -16.115 -9.620 1.00 0.00 O ATOM 916 OD2 ASP A 58 68.291 -14.282 -9.210 1.00 0.00 O ATOM 0 H ASP A 58 66.883 -13.468 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 58 65.642 -15.888 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 58 68.480 -15.012 -6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.129 -16.687 -7.225 1.00 0.00 H new ATOM 921 N TYR A 59 66.215 -15.575 -4.362 1.00 0.00 N ATOM 922 CA TYR A 59 66.117 -16.221 -3.059 1.00 0.00 C ATOM 923 C TYR A 59 64.663 -16.537 -2.733 1.00 0.00 C ATOM 924 O TYR A 59 64.354 -17.057 -1.661 1.00 0.00 O ATOM 925 CB TYR A 59 66.702 -15.311 -1.977 1.00 0.00 C ATOM 926 CG TYR A 59 67.730 -16.077 -1.179 1.00 0.00 C ATOM 927 CD1 TYR A 59 67.445 -16.472 0.135 1.00 0.00 C ATOM 928 CD2 TYR A 59 68.969 -16.391 -1.751 1.00 0.00 C ATOM 929 CE1 TYR A 59 68.398 -17.181 0.875 1.00 0.00 C ATOM 930 CE2 TYR A 59 69.922 -17.101 -1.010 1.00 0.00 C ATOM 931 CZ TYR A 59 69.637 -17.495 0.303 1.00 0.00 C ATOM 932 OH TYR A 59 70.576 -18.195 1.033 1.00 0.00 O ATOM 0 H TYR A 59 66.231 -14.556 -4.332 1.00 0.00 H new ATOM 0 HA TYR A 59 66.683 -17.152 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 59 67.160 -14.433 -2.433 1.00 0.00 H new ATOM 0 HB3 TYR A 59 65.909 -14.952 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 59 66.490 -16.229 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 59 69.190 -16.086 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 59 68.178 -17.486 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 59 70.877 -17.345 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 59 71.379 -18.331 0.488 1.00 0.00 H new ATOM 942 N ASN A 60 63.775 -16.225 -3.671 1.00 0.00 N ATOM 943 CA ASN A 60 62.352 -16.485 -3.485 1.00 0.00 C ATOM 944 C ASN A 60 61.834 -15.824 -2.212 1.00 0.00 C ATOM 945 O ASN A 60 61.209 -16.478 -1.377 1.00 0.00 O ATOM 946 CB ASN A 60 62.100 -17.995 -3.424 1.00 0.00 C ATOM 947 CG ASN A 60 62.157 -18.590 -4.826 1.00 0.00 C ATOM 948 OD1 ASN A 60 61.422 -18.161 -5.714 1.00 0.00 O ATOM 949 ND2 ASN A 60 62.991 -19.561 -5.079 1.00 0.00 N ATOM 0 H ASN A 60 64.014 -15.794 -4.564 1.00 0.00 H new ATOM 0 HA ASN A 60 61.816 -16.060 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 60 62.846 -18.471 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 60 61.126 -18.192 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 60 63.034 -19.965 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 60 63.600 -19.916 -4.341 1.00 0.00 H new ATOM 956 N ILE A 61 62.099 -14.524 -2.070 1.00 0.00 N ATOM 957 CA ILE A 61 61.653 -13.776 -0.895 1.00 0.00 C ATOM 958 C ILE A 61 60.281 -14.262 -0.437 1.00 0.00 C ATOM 959 O ILE A 61 59.342 -14.337 -1.231 1.00 0.00 O ATOM 960 CB ILE A 61 61.574 -12.283 -1.226 1.00 0.00 C ATOM 961 CG1 ILE A 61 62.856 -11.833 -1.934 1.00 0.00 C ATOM 962 CG2 ILE A 61 61.385 -11.477 0.061 1.00 0.00 C ATOM 963 CD1 ILE A 61 64.073 -12.281 -1.132 1.00 0.00 C ATOM 0 H ILE A 61 62.618 -13.970 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 61 62.373 -13.938 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 61 60.724 -12.111 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.895 -12.255 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.860 -10.749 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.329 -10.415 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 61 60.462 -11.787 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 61 62.228 -11.654 0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 61 64.982 -11.959 -1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 61 64.036 -11.838 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.072 -13.368 -1.045 1.00 0.00 H new ATOM 975 N GLN A 62 60.173 -14.597 0.844 1.00 0.00 N ATOM 976 CA GLN A 62 58.911 -15.081 1.393 1.00 0.00 C ATOM 977 C GLN A 62 58.144 -13.948 2.064 1.00 0.00 C ATOM 978 O GLN A 62 58.656 -12.838 2.210 1.00 0.00 O ATOM 979 CB GLN A 62 59.178 -16.191 2.411 1.00 0.00 C ATOM 980 CG GLN A 62 60.061 -17.267 1.775 1.00 0.00 C ATOM 981 CD GLN A 62 61.532 -16.893 1.931 1.00 0.00 C ATOM 982 OE1 GLN A 62 62.114 -16.276 1.039 1.00 0.00 O ATOM 983 NE2 GLN A 62 62.169 -17.232 3.018 1.00 0.00 N ATOM 0 H GLN A 62 60.937 -14.543 1.517 1.00 0.00 H new ATOM 0 HA GLN A 62 58.309 -15.474 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 62 59.667 -15.779 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 62 58.236 -16.628 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 62 59.870 -18.231 2.246 1.00 0.00 H new ATOM 0 HG3 GLN A 62 59.814 -17.374 0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 62 61.684 -17.743 3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 62 63.152 -16.986 3.131 1.00 0.00 H new ATOM 992 N LYS A 63 56.912 -14.237 2.471 1.00 0.00 N ATOM 993 CA LYS A 63 56.079 -13.236 3.126 1.00 0.00 C ATOM 994 C LYS A 63 56.595 -12.943 4.530 1.00 0.00 C ATOM 995 O LYS A 63 57.436 -13.671 5.058 1.00 0.00 O ATOM 996 CB LYS A 63 54.633 -13.731 3.204 1.00 0.00 C ATOM 997 CG LYS A 63 54.609 -15.153 3.768 1.00 0.00 C ATOM 998 CD LYS A 63 53.260 -15.416 4.435 1.00 0.00 C ATOM 999 CE LYS A 63 53.201 -16.867 4.915 1.00 0.00 C ATOM 1000 NZ LYS A 63 51.810 -17.194 5.341 1.00 0.00 N ATOM 0 H LYS A 63 56.471 -15.150 2.360 1.00 0.00 H new ATOM 0 HA LYS A 63 56.118 -12.318 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 63 54.044 -13.067 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 63 54.178 -13.714 2.214 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.778 -15.875 2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 63 55.415 -15.282 4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 63 53.120 -14.738 5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 63 52.451 -15.222 3.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 53.515 -17.539 4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 63 53.891 -17.015 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 51.770 -18.181 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 51.526 -16.561 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 51.162 -17.069 4.537 1.00 0.00 H new ATOM 1014 N GLU A 64 56.085 -11.873 5.131 1.00 0.00 N ATOM 1015 CA GLU A 64 56.500 -11.492 6.476 1.00 0.00 C ATOM 1016 C GLU A 64 58.020 -11.504 6.593 1.00 0.00 C ATOM 1017 O GLU A 64 58.569 -11.463 7.695 1.00 0.00 O ATOM 1018 CB GLU A 64 55.899 -12.456 7.501 1.00 0.00 C ATOM 1019 CG GLU A 64 54.648 -11.829 8.120 1.00 0.00 C ATOM 1020 CD GLU A 64 53.691 -11.380 7.021 1.00 0.00 C ATOM 1021 OE1 GLU A 64 53.239 -12.233 6.273 1.00 0.00 O ATOM 1022 OE2 GLU A 64 53.425 -10.192 6.942 1.00 0.00 O ATOM 0 H GLU A 64 55.388 -11.258 4.711 1.00 0.00 H new ATOM 0 HA GLU A 64 56.141 -10.482 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 64 55.645 -13.402 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 64 56.630 -12.679 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 64 54.154 -12.550 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 64 54.927 -10.978 8.741 1.00 0.00 H new ATOM 1029 N SER A 65 58.698 -11.563 5.450 1.00 0.00 N ATOM 1030 CA SER A 65 60.157 -11.581 5.438 1.00 0.00 C ATOM 1031 C SER A 65 60.713 -10.191 5.734 1.00 0.00 C ATOM 1032 O SER A 65 60.260 -9.197 5.167 1.00 0.00 O ATOM 1033 CB SER A 65 60.660 -12.053 4.075 1.00 0.00 C ATOM 1034 OG SER A 65 60.257 -13.399 3.866 1.00 0.00 O ATOM 0 H SER A 65 58.265 -11.599 4.527 1.00 0.00 H new ATOM 0 HA SER A 65 60.500 -12.269 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 65 60.261 -11.415 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 65 61.746 -11.975 4.029 1.00 0.00 H new ATOM 0 HG SER A 65 59.410 -13.563 4.330 1.00 0.00 H new ATOM 1040 N THR A 66 61.695 -10.131 6.627 1.00 0.00 N ATOM 1041 CA THR A 66 62.306 -8.857 6.991 1.00 0.00 C ATOM 1042 C THR A 66 63.523 -8.577 6.116 1.00 0.00 C ATOM 1043 O THR A 66 64.540 -9.264 6.212 1.00 0.00 O ATOM 1044 CB THR A 66 62.726 -8.880 8.462 1.00 0.00 C ATOM 1045 OG1 THR A 66 61.599 -9.193 9.270 1.00 0.00 O ATOM 1046 CG2 THR A 66 63.276 -7.509 8.860 1.00 0.00 C ATOM 0 H THR A 66 62.083 -10.942 7.109 1.00 0.00 H new ATOM 0 HA THR A 66 61.572 -8.066 6.836 1.00 0.00 H new ATOM 0 HB THR A 66 63.499 -9.635 8.607 1.00 0.00 H new ATOM 0 HG1 THR A 66 61.867 -9.210 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 66 63.575 -7.527 9.908 1.00 0.00 H new ATOM 0 HG22 THR A 66 64.140 -7.270 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 66 62.505 -6.752 8.715 1.00 0.00 H new ATOM 1054 N LEU A 67 63.414 -7.563 5.264 1.00 0.00 N ATOM 1055 CA LEU A 67 64.513 -7.201 4.376 1.00 0.00 C ATOM 1056 C LEU A 67 65.360 -6.092 4.995 1.00 0.00 C ATOM 1057 O LEU A 67 64.845 -5.226 5.701 1.00 0.00 O ATOM 1058 CB LEU A 67 63.965 -6.735 3.024 1.00 0.00 C ATOM 1059 CG LEU A 67 63.556 -7.952 2.192 1.00 0.00 C ATOM 1060 CD1 LEU A 67 62.283 -7.632 1.409 1.00 0.00 C ATOM 1061 CD2 LEU A 67 64.680 -8.302 1.215 1.00 0.00 C ATOM 0 H LEU A 67 62.582 -6.981 5.170 1.00 0.00 H new ATOM 0 HA LEU A 67 65.139 -8.081 4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 67 63.108 -6.079 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 67 64.721 -6.156 2.493 1.00 0.00 H new ATOM 0 HG LEU A 67 63.372 -8.798 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 67 61.992 -8.500 0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 61.481 -7.382 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 62.466 -6.786 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 64.390 -9.169 0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 67 64.864 -7.455 0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 67 65.588 -8.532 1.772 1.00 0.00 H new ATOM 1073 N HIS A 68 66.659 -6.130 4.727 1.00 0.00 N ATOM 1074 CA HIS A 68 67.572 -5.126 5.263 1.00 0.00 C ATOM 1075 C HIS A 68 67.845 -4.044 4.224 1.00 0.00 C ATOM 1076 O HIS A 68 68.479 -4.297 3.200 1.00 0.00 O ATOM 1077 CB HIS A 68 68.890 -5.785 5.672 1.00 0.00 C ATOM 1078 CG HIS A 68 68.644 -6.741 6.805 1.00 0.00 C ATOM 1079 ND1 HIS A 68 68.154 -8.022 6.598 1.00 0.00 N ATOM 1080 CD2 HIS A 68 68.816 -6.621 8.162 1.00 0.00 C ATOM 1081 CE1 HIS A 68 68.049 -8.616 7.801 1.00 0.00 C ATOM 1082 NE2 HIS A 68 68.440 -7.807 8.789 1.00 0.00 N ATOM 0 H HIS A 68 67.103 -6.840 4.145 1.00 0.00 H new ATOM 0 HA HIS A 68 67.108 -4.668 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 68 69.322 -6.315 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 68 69.610 -5.025 5.974 1.00 0.00 H new ATOM 0 HD2 HIS A 68 69.186 -5.741 8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 68 67.692 -9.624 7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 68 68.459 -8.013 9.788 1.00 0.00 H new ATOM 1090 N LEU A 69 67.361 -2.835 4.495 1.00 0.00 N ATOM 1091 CA LEU A 69 67.556 -1.720 3.578 1.00 0.00 C ATOM 1092 C LEU A 69 68.757 -0.880 4.003 1.00 0.00 C ATOM 1093 O LEU A 69 68.817 -0.396 5.133 1.00 0.00 O ATOM 1094 CB LEU A 69 66.302 -0.842 3.550 1.00 0.00 C ATOM 1095 CG LEU A 69 66.434 0.218 2.454 1.00 0.00 C ATOM 1096 CD1 LEU A 69 65.402 -0.046 1.358 1.00 0.00 C ATOM 1097 CD2 LEU A 69 66.191 1.604 3.058 1.00 0.00 C ATOM 0 H LEU A 69 66.834 -2.605 5.337 1.00 0.00 H new ATOM 0 HA LEU A 69 67.742 -2.121 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 69 65.421 -1.457 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.162 -0.361 4.518 1.00 0.00 H new ATOM 0 HG LEU A 69 67.435 0.175 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.498 0.710 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.572 -1.033 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.400 -0.003 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 69 66.284 2.361 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 69 65.189 1.644 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 69 66.927 1.794 3.840 1.00 0.00 H new ATOM 1109 N VAL A 70 69.706 -0.710 3.087 1.00 0.00 N ATOM 1110 CA VAL A 70 70.902 0.078 3.368 1.00 0.00 C ATOM 1111 C VAL A 70 71.105 1.134 2.286 1.00 0.00 C ATOM 1112 O VAL A 70 70.799 0.902 1.116 1.00 0.00 O ATOM 1113 CB VAL A 70 72.126 -0.833 3.432 1.00 0.00 C ATOM 1114 CG1 VAL A 70 73.241 -0.139 4.217 1.00 0.00 C ATOM 1115 CG2 VAL A 70 71.752 -2.143 4.130 1.00 0.00 C ATOM 0 H VAL A 70 69.671 -1.105 2.147 1.00 0.00 H new ATOM 0 HA VAL A 70 70.773 0.575 4.330 1.00 0.00 H new ATOM 0 HB VAL A 70 72.472 -1.045 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 70 74.114 -0.790 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.509 0.794 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 70 72.895 0.075 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 70 72.626 -2.793 4.176 1.00 0.00 H new ATOM 0 HG22 VAL A 70 71.405 -1.930 5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 70 70.959 -2.640 3.571 1.00 0.00 H new ATOM 1125 N LEU A 71 71.618 2.294 2.689 1.00 0.00 N ATOM 1126 CA LEU A 71 71.856 3.385 1.749 1.00 0.00 C ATOM 1127 C LEU A 71 73.350 3.641 1.586 1.00 0.00 C ATOM 1128 O LEU A 71 74.063 3.863 2.565 1.00 0.00 O ATOM 1129 CB LEU A 71 71.172 4.658 2.248 1.00 0.00 C ATOM 1130 CG LEU A 71 69.697 4.367 2.541 1.00 0.00 C ATOM 1131 CD1 LEU A 71 69.023 5.634 3.067 1.00 0.00 C ATOM 1132 CD2 LEU A 71 68.997 3.913 1.257 1.00 0.00 C ATOM 0 H LEU A 71 71.875 2.502 3.654 1.00 0.00 H new ATOM 0 HA LEU A 71 71.442 3.101 0.781 1.00 0.00 H new ATOM 0 HB2 LEU A 71 71.668 5.020 3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 71 71.256 5.446 1.499 1.00 0.00 H new ATOM 0 HG LEU A 71 69.626 3.578 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 67.973 5.428 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 71 69.519 5.956 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 69.096 6.423 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 71 67.948 3.707 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 69.068 4.700 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 71 69.476 3.009 0.882 1.00 0.00 H new ATOM 1144 N ARG A 72 73.817 3.611 0.342 1.00 0.00 N ATOM 1145 CA ARG A 72 75.227 3.845 0.057 1.00 0.00 C ATOM 1146 C ARG A 72 75.431 5.254 -0.488 1.00 0.00 C ATOM 1147 O ARG A 72 74.580 5.782 -1.204 1.00 0.00 O ATOM 1148 CB ARG A 72 75.730 2.823 -0.963 1.00 0.00 C ATOM 1149 CG ARG A 72 77.056 3.302 -1.556 1.00 0.00 C ATOM 1150 CD ARG A 72 77.843 2.102 -2.087 1.00 0.00 C ATOM 1151 NE ARG A 72 78.820 2.538 -3.078 1.00 0.00 N ATOM 1152 CZ ARG A 72 79.681 1.681 -3.617 1.00 0.00 C ATOM 1153 NH1 ARG A 72 80.547 2.097 -4.501 1.00 0.00 N ATOM 1154 NH2 ARG A 72 79.661 0.425 -3.262 1.00 0.00 N ATOM 0 H ARG A 72 73.243 3.428 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 72 75.791 3.738 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 72 75.863 1.852 -0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 72 74.992 2.691 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 72 76.870 4.013 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 72 77.638 3.825 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 72 78.349 1.597 -1.264 1.00 0.00 H new ATOM 0 HD3 ARG A 72 77.160 1.379 -2.533 1.00 0.00 H new ATOM 0 HE ARG A 72 78.843 3.517 -3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 72 80.562 3.079 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 72 81.208 1.440 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 72 78.984 0.101 -2.571 1.00 0.00 H new ATOM 0 HH22 ARG A 72 80.322 -0.233 -3.676 1.00 0.00 H new