USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 40 GLN : amide:sc= 0.458 K(o=0.96,f=-1.4) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.499 K(o=0.96,f=-0.9) USER MOD Set 2.1: A 22 THR OG1 : rot -87:sc= 1.6 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.08 K(o=2.7,f=-1.3) USER MOD Set 3.1: A 9 THR OG1 : rot -170:sc= -0.103 USER MOD Set 3.2: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0693 K(o=-0.069,f=-0.58) USER MOD Single : A 6 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.99) USER MOD Single : A 7 THR OG1 : rot -68:sc= 0.723 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -77:sc= 0.478 USER MOD Single : A 20 SER OG : rot -20:sc= 0.634 USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.49 (180deg=0.75) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= 0.714 (180deg=-0.575!) USER MOD Single : A 31 GLN : amide:sc= 0.943 K(o=0.94,f=-0.25) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.732 K(o=0.73,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -40:sc= 1 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.894 -11.044 4.405 1.00 0.00 N ATOM 21 CA GLN A 2 -3.507 -10.568 4.426 1.00 0.00 C ATOM 22 C GLN A 2 -3.114 -9.988 3.055 1.00 0.00 C ATOM 23 O GLN A 2 -3.513 -10.541 2.026 1.00 0.00 O ATOM 24 CB GLN A 2 -2.636 -11.763 4.832 1.00 0.00 C ATOM 25 CG GLN A 2 -1.193 -11.407 5.223 1.00 0.00 C ATOM 26 CD GLN A 2 -0.644 -12.371 6.282 1.00 0.00 C ATOM 27 OE1 GLN A 2 -1.313 -12.705 7.247 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.572 -12.849 6.163 1.00 0.00 N ATOM 0 HA GLN A 2 -3.370 -9.756 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.110 -12.271 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.609 -12.472 4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.557 -11.436 4.338 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.160 -10.387 5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.149 -12.583 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.941 -13.486 6.869 1.00 0.00 H new ATOM 37 N ILE A 3 -2.329 -8.909 3.040 1.00 0.00 N ATOM 38 CA ILE A 3 -1.751 -8.296 1.825 1.00 0.00 C ATOM 39 C ILE A 3 -0.297 -7.863 2.082 1.00 0.00 C ATOM 40 O ILE A 3 0.107 -7.652 3.230 1.00 0.00 O ATOM 41 CB ILE A 3 -2.608 -7.109 1.314 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.640 -5.920 2.305 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.028 -7.560 0.930 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.297 -4.653 1.740 1.00 0.00 C ATOM 0 H ILE A 3 -2.065 -8.417 3.894 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.753 -9.050 1.038 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.118 -6.745 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.176 -6.224 3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.619 -5.684 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.599 -6.702 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.971 -8.308 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.521 -7.990 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.280 -3.867 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.749 -4.321 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.329 -4.870 1.465 1.00 0.00 H new ATOM 56 N PHE A 4 0.473 -7.710 1.001 1.00 0.00 N ATOM 57 CA PHE A 4 1.908 -7.424 1.028 1.00 0.00 C ATOM 58 C PHE A 4 2.295 -6.168 0.233 1.00 0.00 C ATOM 59 O PHE A 4 1.668 -5.877 -0.785 1.00 0.00 O ATOM 60 CB PHE A 4 2.678 -8.644 0.501 1.00 0.00 C ATOM 61 CG PHE A 4 2.486 -9.918 1.307 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.072 -10.055 2.581 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.734 -10.982 0.774 1.00 0.00 C ATOM 64 CE1 PHE A 4 2.919 -11.253 3.303 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.582 -12.178 1.501 1.00 0.00 C ATOM 66 CZ PHE A 4 2.177 -12.319 2.765 1.00 0.00 C ATOM 0 H PHE A 4 0.102 -7.784 0.054 1.00 0.00 H new ATOM 0 HA PHE A 4 2.176 -7.221 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.371 -8.832 -0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.741 -8.403 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.639 -9.239 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.272 -10.880 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.375 -11.354 4.277 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.005 -12.991 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.066 -13.239 3.319 1.00 0.00 H new ATOM 76 N VAL A 5 3.354 -5.453 0.636 1.00 0.00 N ATOM 77 CA VAL A 5 3.941 -4.323 -0.119 1.00 0.00 C ATOM 78 C VAL A 5 5.434 -4.493 -0.381 1.00 0.00 C ATOM 79 O VAL A 5 6.189 -4.807 0.538 1.00 0.00 O ATOM 80 CB VAL A 5 3.663 -2.942 0.509 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.958 -1.812 -0.485 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.232 -2.783 1.042 1.00 0.00 C ATOM 0 H VAL A 5 3.841 -5.643 1.512 1.00 0.00 H new ATOM 0 HA VAL A 5 3.424 -4.350 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 5 4.337 -2.876 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.753 -0.851 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.006 -1.854 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.325 -1.927 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.111 -1.787 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.523 -2.916 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.045 -3.532 1.811 1.00 0.00 H new ATOM 92 N LYS A 6 5.879 -4.234 -1.613 1.00 0.00 N ATOM 93 CA LYS A 6 7.274 -4.336 -2.045 1.00 0.00 C ATOM 94 C LYS A 6 7.910 -2.959 -1.946 1.00 0.00 C ATOM 95 O LYS A 6 7.555 -2.078 -2.722 1.00 0.00 O ATOM 96 CB LYS A 6 7.287 -4.917 -3.478 1.00 0.00 C ATOM 97 CG LYS A 6 8.541 -4.661 -4.334 1.00 0.00 C ATOM 98 CD LYS A 6 9.653 -5.704 -4.131 1.00 0.00 C ATOM 99 CE LYS A 6 10.115 -5.938 -2.690 1.00 0.00 C ATOM 100 NZ LYS A 6 11.017 -7.112 -2.606 1.00 0.00 N ATOM 0 H LYS A 6 5.255 -3.937 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 6 7.860 -5.004 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.142 -5.995 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.426 -4.515 -4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.255 -4.648 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.935 -3.672 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.307 -6.655 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.517 -5.400 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.631 -5.051 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.249 -6.094 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.658 -7.000 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.451 -7.976 -2.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.575 -7.184 -3.481 1.00 0.00 H new ATOM 114 N THR A 7 8.839 -2.764 -1.016 1.00 0.00 N ATOM 115 CA THR A 7 9.648 -1.538 -0.939 1.00 0.00 C ATOM 116 C THR A 7 10.908 -1.587 -1.809 1.00 0.00 C ATOM 117 O THR A 7 11.378 -2.662 -2.184 1.00 0.00 O ATOM 118 CB THR A 7 10.002 -1.176 0.513 1.00 0.00 C ATOM 119 OG1 THR A 7 11.033 -2.019 0.971 1.00 0.00 O ATOM 120 CG2 THR A 7 8.846 -1.287 1.503 1.00 0.00 C ATOM 0 H THR A 7 9.058 -3.448 -0.291 1.00 0.00 H new ATOM 0 HA THR A 7 9.017 -0.747 -1.346 1.00 0.00 H new ATOM 0 HB THR A 7 10.298 -0.127 0.479 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.695 -2.935 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.192 -1.012 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.042 -0.616 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.477 -2.312 1.517 1.00 0.00 H new ATOM 128 N LEU A 8 11.470 -0.410 -2.109 1.00 0.00 N ATOM 129 CA LEU A 8 12.644 -0.245 -2.978 1.00 0.00 C ATOM 130 C LEU A 8 13.912 -0.887 -2.381 1.00 0.00 C ATOM 131 O LEU A 8 14.686 -1.509 -3.104 1.00 0.00 O ATOM 132 CB LEU A 8 12.897 1.254 -3.246 1.00 0.00 C ATOM 133 CG LEU A 8 11.860 1.962 -4.145 1.00 0.00 C ATOM 134 CD1 LEU A 8 10.554 2.305 -3.421 1.00 0.00 C ATOM 135 CD2 LEU A 8 12.460 3.266 -4.672 1.00 0.00 C ATOM 0 H LEU A 8 11.114 0.475 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 8 12.426 -0.759 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.934 1.773 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.880 1.361 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 8 11.621 1.264 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.873 2.800 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.092 1.390 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.766 2.969 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.732 3.771 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.719 3.912 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.357 3.046 -5.251 1.00 0.00 H new ATOM 147 N THR A 9 14.104 -0.801 -1.059 1.00 0.00 N ATOM 148 CA THR A 9 15.204 -1.465 -0.329 1.00 0.00 C ATOM 149 C THR A 9 14.858 -2.929 -0.011 1.00 0.00 C ATOM 150 O THR A 9 15.214 -3.457 1.041 1.00 0.00 O ATOM 151 CB THR A 9 15.614 -0.662 0.921 1.00 0.00 C ATOM 152 OG1 THR A 9 14.543 -0.473 1.818 1.00 0.00 O ATOM 153 CG2 THR A 9 16.133 0.728 0.574 1.00 0.00 C ATOM 0 H THR A 9 13.491 -0.259 -0.450 1.00 0.00 H new ATOM 0 HA THR A 9 16.078 -1.488 -0.980 1.00 0.00 H new ATOM 0 HB THR A 9 16.398 -1.263 1.382 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.806 0.169 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.408 1.253 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.008 0.639 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 9 15.355 1.288 0.055 1.00 0.00 H new ATOM 161 N GLY A 10 14.146 -3.595 -0.926 1.00 0.00 N ATOM 162 CA GLY A 10 13.863 -5.033 -0.936 1.00 0.00 C ATOM 163 C GLY A 10 12.832 -5.529 0.085 1.00 0.00 C ATOM 164 O GLY A 10 12.215 -6.567 -0.156 1.00 0.00 O ATOM 0 H GLY A 10 13.728 -3.117 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.517 -5.307 -1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.798 -5.567 -0.765 1.00 0.00 H new ATOM 168 N LYS A 11 12.595 -4.802 1.185 1.00 0.00 N ATOM 169 CA LYS A 11 11.761 -5.259 2.308 1.00 0.00 C ATOM 170 C LYS A 11 10.311 -5.477 1.861 1.00 0.00 C ATOM 171 O LYS A 11 9.755 -4.624 1.158 1.00 0.00 O ATOM 172 CB LYS A 11 11.781 -4.264 3.489 1.00 0.00 C ATOM 173 CG LYS A 11 13.121 -3.559 3.763 1.00 0.00 C ATOM 174 CD LYS A 11 13.041 -2.690 5.034 1.00 0.00 C ATOM 175 CE LYS A 11 13.963 -1.464 4.970 1.00 0.00 C ATOM 176 NZ LYS A 11 15.397 -1.828 4.899 1.00 0.00 N ATOM 0 H LYS A 11 12.981 -3.868 1.323 1.00 0.00 H new ATOM 0 HA LYS A 11 12.187 -6.204 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.024 -3.501 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.484 -4.798 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.910 -4.302 3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.389 -2.937 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.013 -2.359 5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.307 -3.295 5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.702 -0.863 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.794 -0.841 5.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.973 -0.963 4.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.658 -2.378 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.568 -2.399 4.047 1.00 0.00 H new ATOM 190 N THR A 12 9.706 -6.567 2.329 1.00 0.00 N ATOM 191 CA THR A 12 8.264 -6.834 2.264 1.00 0.00 C ATOM 192 C THR A 12 7.481 -6.363 3.488 1.00 0.00 C ATOM 193 O THR A 12 7.696 -6.868 4.586 1.00 0.00 O ATOM 194 CB THR A 12 7.929 -8.302 1.939 1.00 0.00 C ATOM 195 OG1 THR A 12 8.896 -8.878 1.093 1.00 0.00 O ATOM 196 CG2 THR A 12 6.564 -8.456 1.270 1.00 0.00 C ATOM 0 H THR A 12 10.224 -7.320 2.782 1.00 0.00 H new ATOM 0 HA THR A 12 7.931 -6.223 1.425 1.00 0.00 H new ATOM 0 HB THR A 12 7.916 -8.816 2.900 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.655 -9.810 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.377 -9.510 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.788 -8.074 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.551 -7.894 0.336 1.00 0.00 H new ATOM 204 N ILE A 13 6.558 -5.417 3.318 1.00 0.00 N ATOM 205 CA ILE A 13 5.592 -5.042 4.364 1.00 0.00 C ATOM 206 C ILE A 13 4.437 -6.046 4.349 1.00 0.00 C ATOM 207 O ILE A 13 4.002 -6.450 3.273 1.00 0.00 O ATOM 208 CB ILE A 13 5.055 -3.606 4.167 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.134 -2.590 3.737 1.00 0.00 C ATOM 210 CG2 ILE A 13 4.297 -3.110 5.413 1.00 0.00 C ATOM 211 CD1 ILE A 13 7.298 -2.437 4.730 1.00 0.00 C ATOM 0 H ILE A 13 6.454 -4.886 2.453 1.00 0.00 H new ATOM 0 HA ILE A 13 6.099 -5.063 5.328 1.00 0.00 H new ATOM 0 HB ILE A 13 4.354 -3.671 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.536 -2.893 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.663 -1.617 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.934 -2.097 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.452 -3.769 5.611 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.968 -3.112 6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.008 -1.704 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.913 -2.101 5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.799 -3.397 4.854 1.00 0.00 H new ATOM 223 N THR A 14 3.905 -6.396 5.520 1.00 0.00 N ATOM 224 CA THR A 14 2.690 -7.216 5.684 1.00 0.00 C ATOM 225 C THR A 14 1.603 -6.469 6.446 1.00 0.00 C ATOM 226 O THR A 14 1.914 -5.823 7.447 1.00 0.00 O ATOM 227 CB THR A 14 2.998 -8.565 6.350 1.00 0.00 C ATOM 228 OG1 THR A 14 4.108 -9.181 5.737 1.00 0.00 O ATOM 229 CG2 THR A 14 1.828 -9.544 6.280 1.00 0.00 C ATOM 0 H THR A 14 4.314 -6.112 6.410 1.00 0.00 H new ATOM 0 HA THR A 14 2.312 -7.420 4.682 1.00 0.00 H new ATOM 0 HB THR A 14 3.203 -8.337 7.396 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.831 -9.582 4.886 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.106 -10.479 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.963 -9.114 6.786 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.578 -9.739 5.237 1.00 0.00 H new ATOM 237 N LEU A 15 0.344 -6.544 5.998 1.00 0.00 N ATOM 238 CA LEU A 15 -0.795 -5.905 6.671 1.00 0.00 C ATOM 239 C LEU A 15 -1.977 -6.861 6.855 1.00 0.00 C ATOM 240 O LEU A 15 -2.324 -7.651 5.974 1.00 0.00 O ATOM 241 CB LEU A 15 -1.227 -4.623 5.935 1.00 0.00 C ATOM 242 CG LEU A 15 -0.217 -3.460 6.017 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.628 -2.354 5.044 1.00 0.00 C ATOM 244 CD2 LEU A 15 -0.130 -2.853 7.419 1.00 0.00 C ATOM 0 H LEU A 15 0.084 -7.053 5.153 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.456 -5.628 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.399 -4.863 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.180 -4.288 6.346 1.00 0.00 H new ATOM 0 HG LEU A 15 0.759 -3.872 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.087 -1.533 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.643 -2.750 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.621 -1.990 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.595 -2.039 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.107 -2.468 7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.184 -3.619 8.128 1.00 0.00 H new ATOM 256 N GLU A 16 -2.597 -6.741 8.027 1.00 0.00 N ATOM 257 CA GLU A 16 -3.795 -7.459 8.469 1.00 0.00 C ATOM 258 C GLU A 16 -5.032 -6.591 8.173 1.00 0.00 C ATOM 259 O GLU A 16 -5.296 -5.615 8.874 1.00 0.00 O ATOM 260 CB GLU A 16 -3.598 -7.781 9.970 1.00 0.00 C ATOM 261 CG GLU A 16 -4.701 -8.643 10.602 1.00 0.00 C ATOM 262 CD GLU A 16 -4.367 -9.089 12.042 1.00 0.00 C ATOM 263 OE1 GLU A 16 -3.309 -8.701 12.598 1.00 0.00 O ATOM 264 OE2 GLU A 16 -5.164 -9.876 12.608 1.00 0.00 O ATOM 0 H GLU A 16 -2.255 -6.098 8.741 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.953 -8.399 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.643 -8.292 10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.531 -6.843 10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.635 -8.081 10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.865 -9.525 9.983 1.00 0.00 H new ATOM 271 N VAL A 17 -5.757 -6.893 7.089 1.00 0.00 N ATOM 272 CA VAL A 17 -6.878 -6.062 6.581 1.00 0.00 C ATOM 273 C VAL A 17 -8.138 -6.869 6.234 1.00 0.00 C ATOM 274 O VAL A 17 -8.140 -8.104 6.187 1.00 0.00 O ATOM 275 CB VAL A 17 -6.443 -5.108 5.438 1.00 0.00 C ATOM 276 CG1 VAL A 17 -5.092 -4.416 5.700 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.316 -5.801 4.071 1.00 0.00 C ATOM 0 H VAL A 17 -5.588 -7.728 6.528 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.168 -5.428 7.419 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.250 -4.376 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.849 -3.764 4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.157 -3.824 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.313 -5.170 5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.009 -5.072 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.571 -6.594 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.278 -6.228 3.789 1.00 0.00 H new ATOM 287 N GLU A 18 -9.237 -6.172 5.970 1.00 0.00 N ATOM 288 CA GLU A 18 -10.502 -6.760 5.519 1.00 0.00 C ATOM 289 C GLU A 18 -10.787 -6.327 4.070 1.00 0.00 C ATOM 290 O GLU A 18 -10.474 -5.194 3.715 1.00 0.00 O ATOM 291 CB GLU A 18 -11.630 -6.366 6.492 1.00 0.00 C ATOM 292 CG GLU A 18 -11.496 -7.129 7.826 1.00 0.00 C ATOM 293 CD GLU A 18 -11.973 -6.361 9.072 1.00 0.00 C ATOM 294 OE1 GLU A 18 -12.725 -5.365 8.955 1.00 0.00 O ATOM 295 OE2 GLU A 18 -11.554 -6.769 10.183 1.00 0.00 O ATOM 0 H GLU A 18 -9.279 -5.157 6.065 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.439 -7.848 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.598 -5.292 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.598 -6.582 6.040 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.062 -8.058 7.753 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.450 -7.403 7.966 1.00 0.00 H new ATOM 302 N PRO A 19 -11.416 -7.160 3.213 1.00 0.00 N ATOM 303 CA PRO A 19 -11.734 -6.772 1.826 1.00 0.00 C ATOM 304 C PRO A 19 -12.677 -5.558 1.745 1.00 0.00 C ATOM 305 O PRO A 19 -12.732 -4.862 0.735 1.00 0.00 O ATOM 306 CB PRO A 19 -12.368 -8.019 1.196 1.00 0.00 C ATOM 307 CG PRO A 19 -12.962 -8.769 2.388 1.00 0.00 C ATOM 308 CD PRO A 19 -11.962 -8.479 3.507 1.00 0.00 C ATOM 0 HA PRO A 19 -10.836 -6.454 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.135 -7.753 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.627 -8.623 0.672 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.961 -8.409 2.635 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.049 -9.837 2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.450 -8.493 4.482 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.174 -9.232 3.534 1.00 0.00 H new ATOM 316 N SER A 20 -13.401 -5.290 2.837 1.00 0.00 N ATOM 317 CA SER A 20 -14.261 -4.121 3.041 1.00 0.00 C ATOM 318 C SER A 20 -13.500 -2.835 3.414 1.00 0.00 C ATOM 319 O SER A 20 -14.131 -1.784 3.543 1.00 0.00 O ATOM 320 CB SER A 20 -15.256 -4.486 4.153 1.00 0.00 C ATOM 321 OG SER A 20 -16.133 -3.439 4.512 1.00 0.00 O ATOM 0 H SER A 20 -13.403 -5.915 3.643 1.00 0.00 H new ATOM 0 HA SER A 20 -14.756 -3.892 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.846 -5.344 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.698 -4.797 5.036 1.00 0.00 H new ATOM 0 HG SER A 20 -15.756 -2.582 4.222 1.00 0.00 H new ATOM 327 N ASP A 21 -12.176 -2.868 3.614 1.00 0.00 N ATOM 328 CA ASP A 21 -11.367 -1.656 3.744 1.00 0.00 C ATOM 329 C ASP A 21 -11.344 -0.751 2.496 1.00 0.00 C ATOM 330 O ASP A 21 -11.106 -1.202 1.365 1.00 0.00 O ATOM 331 CB ASP A 21 -9.949 -1.946 4.270 1.00 0.00 C ATOM 332 CG ASP A 21 -9.853 -2.120 5.790 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.230 -1.182 6.541 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.244 -3.109 6.264 1.00 0.00 O ATOM 0 H ASP A 21 -11.641 -3.733 3.689 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.888 -1.071 4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.576 -2.851 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.291 -1.131 3.969 1.00 0.00 H new ATOM 339 N THR A 22 -11.553 0.557 2.707 1.00 0.00 N ATOM 340 CA THR A 22 -11.269 1.590 1.710 1.00 0.00 C ATOM 341 C THR A 22 -9.806 1.716 1.335 1.00 0.00 C ATOM 342 O THR A 22 -8.941 1.420 2.156 1.00 0.00 O ATOM 343 CB THR A 22 -11.951 2.945 1.949 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.064 3.770 2.652 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.278 2.885 2.707 1.00 0.00 C ATOM 0 H THR A 22 -11.926 0.926 3.581 1.00 0.00 H new ATOM 0 HA THR A 22 -11.763 1.198 0.821 1.00 0.00 H new ATOM 0 HB THR A 22 -12.197 3.335 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.170 3.620 3.615 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.677 3.893 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.989 2.276 2.149 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.116 2.443 3.690 1.00 0.00 H new ATOM 353 N ILE A 23 -9.498 2.206 0.129 1.00 0.00 N ATOM 354 CA ILE A 23 -8.108 2.557 -0.216 1.00 0.00 C ATOM 355 C ILE A 23 -7.539 3.704 0.655 1.00 0.00 C ATOM 356 O ILE A 23 -6.335 3.955 0.687 1.00 0.00 O ATOM 357 CB ILE A 23 -7.964 2.758 -1.756 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.643 1.659 -2.625 1.00 0.00 C ATOM 359 CG2 ILE A 23 -6.482 2.749 -2.175 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.163 0.214 -2.402 1.00 0.00 C ATOM 0 H ILE A 23 -10.176 2.368 -0.616 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.464 1.715 0.039 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.457 3.714 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.717 1.694 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.491 1.911 -3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.408 2.891 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.955 3.556 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.033 1.794 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.710 -0.457 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.097 0.147 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.342 -0.073 -1.366 1.00 0.00 H new ATOM 372 N GLU A 24 -8.351 4.474 1.370 1.00 0.00 N ATOM 373 CA GLU A 24 -7.795 5.369 2.422 1.00 0.00 C ATOM 374 C GLU A 24 -7.583 4.586 3.719 1.00 0.00 C ATOM 375 O GLU A 24 -6.518 4.744 4.317 1.00 0.00 O ATOM 376 CB GLU A 24 -8.699 6.595 2.702 1.00 0.00 C ATOM 377 CG GLU A 24 -7.997 7.535 3.676 1.00 0.00 C ATOM 378 CD GLU A 24 -8.405 9.021 3.603 1.00 0.00 C ATOM 379 OE1 GLU A 24 -9.284 9.420 2.803 1.00 0.00 O ATOM 380 OE2 GLU A 24 -7.690 9.821 4.233 1.00 0.00 O ATOM 0 H GLU A 24 -9.364 4.511 1.260 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.842 5.743 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.919 7.118 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.652 6.269 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.182 7.179 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.923 7.466 3.505 1.00 0.00 H new ATOM 387 N ASN A 25 -8.491 3.691 4.167 1.00 0.00 N ATOM 388 CA ASN A 25 -8.301 2.854 5.358 1.00 0.00 C ATOM 389 C ASN A 25 -6.945 2.131 5.371 1.00 0.00 C ATOM 390 O ASN A 25 -6.252 2.085 6.375 1.00 0.00 O ATOM 391 CB ASN A 25 -9.435 1.809 5.467 1.00 0.00 C ATOM 392 CG ASN A 25 -10.806 2.365 5.813 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.236 3.404 5.345 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.567 1.632 6.588 1.00 0.00 N ATOM 0 H ASN A 25 -9.385 3.533 3.702 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.324 3.528 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.507 1.276 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.158 1.076 6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.519 1.932 6.799 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.207 0.762 6.980 1.00 0.00 H new ATOM 401 N VAL A 26 -6.587 1.473 4.281 1.00 0.00 N ATOM 402 CA VAL A 26 -5.290 0.799 4.129 1.00 0.00 C ATOM 403 C VAL A 26 -4.125 1.805 4.097 1.00 0.00 C ATOM 404 O VAL A 26 -3.083 1.547 4.700 1.00 0.00 O ATOM 405 CB VAL A 26 -5.274 -0.073 2.856 1.00 0.00 C ATOM 406 CG1 VAL A 26 -3.984 -0.897 2.737 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.453 -1.063 2.839 1.00 0.00 C ATOM 0 H VAL A 26 -7.189 1.386 3.462 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.155 0.157 5.000 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.347 0.624 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.017 -1.495 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.126 -0.226 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.892 -1.556 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.412 -1.662 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.390 -1.718 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.392 -0.511 2.868 1.00 0.00 H new ATOM 417 N LYS A 27 -4.303 2.965 3.438 1.00 0.00 N ATOM 418 CA LYS A 27 -3.321 4.062 3.446 1.00 0.00 C ATOM 419 C LYS A 27 -3.102 4.637 4.849 1.00 0.00 C ATOM 420 O LYS A 27 -2.029 5.185 5.066 1.00 0.00 O ATOM 421 CB LYS A 27 -3.733 5.214 2.492 1.00 0.00 C ATOM 422 CG LYS A 27 -2.801 5.414 1.286 1.00 0.00 C ATOM 423 CD LYS A 27 -3.132 4.522 0.076 1.00 0.00 C ATOM 424 CE LYS A 27 -3.746 5.288 -1.114 1.00 0.00 C ATOM 425 NZ LYS A 27 -5.057 5.922 -0.825 1.00 0.00 N ATOM 0 H LYS A 27 -5.135 3.167 2.884 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.387 3.621 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.742 5.021 2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.772 6.143 3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.846 6.458 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.775 5.218 1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.221 4.024 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.825 3.742 0.391 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.046 6.060 -1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.866 4.600 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.637 5.930 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.547 5.383 -0.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.906 6.899 -0.501 1.00 0.00 H new ATOM 439 N ALA A 28 -4.065 4.523 5.759 1.00 0.00 N ATOM 440 CA ALA A 28 -3.929 4.942 7.155 1.00 0.00 C ATOM 441 C ALA A 28 -3.299 3.836 8.029 1.00 0.00 C ATOM 442 O ALA A 28 -2.303 4.070 8.718 1.00 0.00 O ATOM 443 CB ALA A 28 -5.313 5.351 7.675 1.00 0.00 C ATOM 0 H ALA A 28 -4.981 4.129 5.545 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.250 5.793 7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.232 5.667 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.698 6.175 7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.993 4.502 7.605 1.00 0.00 H new ATOM 449 N LYS A 29 -3.816 2.599 7.936 1.00 0.00 N ATOM 450 CA LYS A 29 -3.336 1.435 8.704 1.00 0.00 C ATOM 451 C LYS A 29 -1.822 1.226 8.611 1.00 0.00 C ATOM 452 O LYS A 29 -1.190 0.891 9.606 1.00 0.00 O ATOM 453 CB LYS A 29 -4.111 0.161 8.298 1.00 0.00 C ATOM 454 CG LYS A 29 -5.493 0.107 8.969 1.00 0.00 C ATOM 455 CD LYS A 29 -6.408 -0.991 8.396 1.00 0.00 C ATOM 456 CE LYS A 29 -7.640 -1.167 9.300 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.670 -2.056 8.704 1.00 0.00 N ATOM 0 H LYS A 29 -4.593 2.375 7.314 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.537 1.648 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.230 0.135 7.215 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.535 -0.721 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.363 -0.060 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.983 1.074 8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.721 -0.726 7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.862 -1.931 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.325 -1.576 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.081 -0.190 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.024 -2.712 9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.458 -1.481 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.250 -2.598 7.922 1.00 0.00 H new ATOM 471 N ILE A 30 -1.212 1.486 7.456 1.00 0.00 N ATOM 472 CA ILE A 30 0.239 1.335 7.267 1.00 0.00 C ATOM 473 C ILE A 30 1.079 2.242 8.198 1.00 0.00 C ATOM 474 O ILE A 30 2.202 1.871 8.556 1.00 0.00 O ATOM 475 CB ILE A 30 0.593 1.556 5.779 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.965 0.920 5.465 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.590 3.039 5.390 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.258 0.826 3.962 1.00 0.00 C ATOM 0 H ILE A 30 -1.705 1.807 6.623 1.00 0.00 H new ATOM 0 HA ILE A 30 0.502 0.316 7.552 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.180 1.071 5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.748 1.506 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.003 -0.079 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.845 3.139 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.400 3.459 5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.323 3.575 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.236 0.370 3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.494 0.215 3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.252 1.825 3.527 1.00 0.00 H new ATOM 490 N GLN A 31 0.571 3.405 8.631 1.00 0.00 N ATOM 491 CA GLN A 31 1.313 4.308 9.515 1.00 0.00 C ATOM 492 C GLN A 31 1.238 3.921 11.003 1.00 0.00 C ATOM 493 O GLN A 31 2.258 3.995 11.690 1.00 0.00 O ATOM 494 CB GLN A 31 0.887 5.767 9.290 1.00 0.00 C ATOM 495 CG GLN A 31 1.370 6.329 7.937 1.00 0.00 C ATOM 496 CD GLN A 31 0.245 6.604 6.948 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.809 7.122 7.273 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.432 6.292 5.688 1.00 0.00 N ATOM 0 H GLN A 31 -0.358 3.742 8.379 1.00 0.00 H new ATOM 0 HA GLN A 31 2.363 4.205 9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.200 5.835 9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.282 6.385 10.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.920 7.254 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.070 5.623 7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.307 5.858 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.298 6.484 5.001 1.00 0.00 H new ATOM 507 N ASP A 32 0.087 3.435 11.487 1.00 0.00 N ATOM 508 CA ASP A 32 -0.062 2.935 12.874 1.00 0.00 C ATOM 509 C ASP A 32 0.625 1.555 13.045 1.00 0.00 C ATOM 510 O ASP A 32 0.960 1.165 14.168 1.00 0.00 O ATOM 511 CB ASP A 32 -1.568 2.839 13.245 1.00 0.00 C ATOM 512 CG ASP A 32 -1.979 3.539 14.561 1.00 0.00 C ATOM 513 OD1 ASP A 32 -1.249 4.427 15.065 1.00 0.00 O ATOM 514 OD2 ASP A 32 -3.064 3.223 15.105 1.00 0.00 O ATOM 0 H ASP A 32 -0.769 3.374 10.935 1.00 0.00 H new ATOM 0 HA ASP A 32 0.426 3.639 13.547 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.152 3.266 12.430 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.840 1.786 13.315 1.00 0.00 H new ATOM 519 N LYS A 33 0.858 0.802 11.952 1.00 0.00 N ATOM 520 CA LYS A 33 1.536 -0.514 11.967 1.00 0.00 C ATOM 521 C LYS A 33 3.051 -0.461 11.709 1.00 0.00 C ATOM 522 O LYS A 33 3.776 -1.262 12.296 1.00 0.00 O ATOM 523 CB LYS A 33 0.829 -1.469 10.982 1.00 0.00 C ATOM 524 CG LYS A 33 0.431 -2.818 11.608 1.00 0.00 C ATOM 525 CD LYS A 33 1.602 -3.695 12.064 1.00 0.00 C ATOM 526 CE LYS A 33 1.061 -4.996 12.669 1.00 0.00 C ATOM 527 NZ LYS A 33 2.158 -5.936 12.990 1.00 0.00 N ATOM 0 H LYS A 33 0.576 1.094 11.016 1.00 0.00 H new ATOM 0 HA LYS A 33 1.450 -0.894 12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.065 -0.980 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.486 -1.652 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.214 -2.627 12.465 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.160 -3.377 10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.254 -3.918 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.204 -3.162 12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.495 -4.771 13.573 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.370 -5.465 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.761 -6.807 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.682 -6.168 12.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.803 -5.495 13.676 1.00 0.00 H new ATOM 541 N GLU A 34 3.554 0.428 10.847 1.00 0.00 N ATOM 542 CA GLU A 34 4.992 0.484 10.502 1.00 0.00 C ATOM 543 C GLU A 34 5.569 1.905 10.327 1.00 0.00 C ATOM 544 O GLU A 34 6.747 2.121 10.620 1.00 0.00 O ATOM 545 CB GLU A 34 5.207 -0.356 9.230 1.00 0.00 C ATOM 546 CG GLU A 34 6.673 -0.496 8.798 1.00 0.00 C ATOM 547 CD GLU A 34 7.583 -1.120 9.881 1.00 0.00 C ATOM 548 OE1 GLU A 34 7.100 -1.971 10.673 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.784 -0.759 9.918 1.00 0.00 O ATOM 0 H GLU A 34 2.987 1.127 10.368 1.00 0.00 H new ATOM 0 HA GLU A 34 5.543 0.079 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.793 -1.351 9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.642 0.094 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.720 -1.110 7.898 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.060 0.488 8.533 1.00 0.00 H new ATOM 556 N GLY A 35 4.758 2.877 9.890 1.00 0.00 N ATOM 557 CA GLY A 35 5.167 4.287 9.767 1.00 0.00 C ATOM 558 C GLY A 35 5.616 4.718 8.364 1.00 0.00 C ATOM 559 O GLY A 35 6.632 5.400 8.231 1.00 0.00 O ATOM 0 H GLY A 35 3.792 2.708 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.333 4.918 10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.983 4.474 10.465 1.00 0.00 H new ATOM 563 N ILE A 36 4.886 4.327 7.311 1.00 0.00 N ATOM 564 CA ILE A 36 5.162 4.718 5.912 1.00 0.00 C ATOM 565 C ILE A 36 4.158 5.802 5.452 1.00 0.00 C ATOM 566 O ILE A 36 3.053 5.442 5.036 1.00 0.00 O ATOM 567 CB ILE A 36 5.164 3.463 4.999 1.00 0.00 C ATOM 568 CG1 ILE A 36 6.232 2.444 5.474 1.00 0.00 C ATOM 569 CG2 ILE A 36 5.418 3.834 3.525 1.00 0.00 C ATOM 570 CD1 ILE A 36 6.163 1.074 4.789 1.00 0.00 C ATOM 0 H ILE A 36 4.072 3.720 7.403 1.00 0.00 H new ATOM 0 HA ILE A 36 6.155 5.162 5.840 1.00 0.00 H new ATOM 0 HB ILE A 36 4.176 3.008 5.071 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.221 2.870 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.126 2.303 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.412 2.930 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.635 4.509 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.387 4.326 3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.947 0.429 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.190 0.621 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.302 1.197 3.715 1.00 0.00 H new ATOM 582 N PRO A 37 4.472 7.112 5.561 1.00 0.00 N ATOM 583 CA PRO A 37 3.564 8.204 5.191 1.00 0.00 C ATOM 584 C PRO A 37 3.561 8.497 3.672 1.00 0.00 C ATOM 585 O PRO A 37 4.571 8.248 3.004 1.00 0.00 O ATOM 586 CB PRO A 37 4.072 9.416 5.976 1.00 0.00 C ATOM 587 CG PRO A 37 5.581 9.187 6.005 1.00 0.00 C ATOM 588 CD PRO A 37 5.676 7.670 6.166 1.00 0.00 C ATOM 0 HA PRO A 37 2.532 7.946 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.814 10.354 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.649 9.455 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.062 9.530 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.057 9.714 6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.570 7.284 5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.744 7.395 7.219 1.00 0.00 H new ATOM 596 N PRO A 38 2.474 9.080 3.121 1.00 0.00 N ATOM 597 CA PRO A 38 2.363 9.430 1.699 1.00 0.00 C ATOM 598 C PRO A 38 3.287 10.586 1.266 1.00 0.00 C ATOM 599 O PRO A 38 3.527 10.767 0.071 1.00 0.00 O ATOM 600 CB PRO A 38 0.890 9.801 1.493 1.00 0.00 C ATOM 601 CG PRO A 38 0.494 10.378 2.851 1.00 0.00 C ATOM 602 CD PRO A 38 1.268 9.492 3.826 1.00 0.00 C ATOM 0 HA PRO A 38 2.682 8.590 1.082 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.764 10.529 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.287 8.932 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.776 11.427 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.582 10.321 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.515 10.037 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.675 8.627 4.123 1.00 0.00 H new ATOM 610 N ASP A 39 3.825 11.363 2.215 1.00 0.00 N ATOM 611 CA ASP A 39 4.684 12.527 1.977 1.00 0.00 C ATOM 612 C ASP A 39 5.887 12.158 1.090 1.00 0.00 C ATOM 613 O ASP A 39 6.381 13.003 0.344 1.00 0.00 O ATOM 614 CB ASP A 39 5.242 13.075 3.309 1.00 0.00 C ATOM 615 CG ASP A 39 4.241 13.342 4.461 1.00 0.00 C ATOM 616 OD1 ASP A 39 3.215 12.626 4.570 1.00 0.00 O ATOM 617 OD2 ASP A 39 4.586 14.198 5.314 1.00 0.00 O ATOM 0 H ASP A 39 3.667 11.190 3.208 1.00 0.00 H new ATOM 0 HA ASP A 39 4.068 13.278 1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.990 12.371 3.673 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.761 14.009 3.095 1.00 0.00 H new ATOM 622 N GLN A 40 6.352 10.906 1.165 1.00 0.00 N ATOM 623 CA GLN A 40 7.660 10.460 0.683 1.00 0.00 C ATOM 624 C GLN A 40 7.567 9.412 -0.451 1.00 0.00 C ATOM 625 O GLN A 40 8.525 9.225 -1.205 1.00 0.00 O ATOM 626 CB GLN A 40 8.415 9.980 1.936 1.00 0.00 C ATOM 627 CG GLN A 40 9.931 9.825 1.765 1.00 0.00 C ATOM 628 CD GLN A 40 10.379 8.467 1.252 1.00 0.00 C ATOM 629 OE1 GLN A 40 9.637 7.495 1.184 1.00 0.00 O ATOM 630 NE2 GLN A 40 11.634 8.356 0.891 1.00 0.00 N ATOM 0 H GLN A 40 5.807 10.150 1.578 1.00 0.00 H new ATOM 0 HA GLN A 40 8.207 11.269 0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.227 10.685 2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.000 9.021 2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.285 10.593 1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.412 10.012 2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.254 9.164 0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.991 7.462 0.554 1.00 0.00 H new ATOM 639 N ASN A 41 6.404 8.772 -0.650 1.00 0.00 N ATOM 640 CA ASN A 41 6.249 7.586 -1.505 1.00 0.00 C ATOM 641 C ASN A 41 4.777 7.332 -1.936 1.00 0.00 C ATOM 642 O ASN A 41 3.871 8.011 -1.459 1.00 0.00 O ATOM 643 CB ASN A 41 6.848 6.413 -0.691 1.00 0.00 C ATOM 644 CG ASN A 41 6.172 6.236 0.653 1.00 0.00 C ATOM 645 OD1 ASN A 41 5.071 5.718 0.740 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.829 6.611 1.724 1.00 0.00 N ATOM 0 H ASN A 41 5.531 9.069 -0.214 1.00 0.00 H new ATOM 0 HA ASN A 41 6.769 7.717 -2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.755 5.491 -1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.913 6.587 -0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.420 6.471 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.749 7.043 1.633 1.00 0.00 H new ATOM 653 N ARG A 42 4.501 6.363 -2.834 1.00 0.00 N ATOM 654 CA ARG A 42 3.131 6.020 -3.292 1.00 0.00 C ATOM 655 C ARG A 42 2.956 4.544 -3.668 1.00 0.00 C ATOM 656 O ARG A 42 3.747 3.965 -4.409 1.00 0.00 O ATOM 657 CB ARG A 42 2.695 6.906 -4.479 1.00 0.00 C ATOM 658 CG ARG A 42 1.816 8.094 -4.060 1.00 0.00 C ATOM 659 CD ARG A 42 1.075 8.659 -5.283 1.00 0.00 C ATOM 660 NE ARG A 42 0.321 9.878 -4.953 1.00 0.00 N ATOM 661 CZ ARG A 42 -0.937 10.027 -4.583 1.00 0.00 C ATOM 662 NH1 ARG A 42 -1.753 9.044 -4.348 1.00 0.00 N ATOM 663 NH2 ARG A 42 -1.431 11.215 -4.435 1.00 0.00 N ATOM 0 H ARG A 42 5.226 5.790 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 42 2.490 6.212 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.583 7.282 -4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.149 6.295 -5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.098 7.776 -3.304 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.432 8.871 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.793 8.879 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.392 7.905 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 42 0.854 10.745 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.433 8.081 -4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.714 9.236 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.848 12.035 -4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.403 11.331 -4.149 1.00 0.00 H new ATOM 677 N LEU A 43 1.880 3.938 -3.174 1.00 0.00 N ATOM 678 CA LEU A 43 1.517 2.537 -3.415 1.00 0.00 C ATOM 679 C LEU A 43 1.095 2.304 -4.879 1.00 0.00 C ATOM 680 O LEU A 43 0.173 2.959 -5.372 1.00 0.00 O ATOM 681 CB LEU A 43 0.347 2.162 -2.478 1.00 0.00 C ATOM 682 CG LEU A 43 0.692 1.645 -1.073 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.399 0.296 -1.157 1.00 0.00 C ATOM 684 CD2 LEU A 43 1.538 2.617 -0.253 1.00 0.00 C ATOM 0 H LEU A 43 1.212 4.422 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 43 2.388 1.913 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.287 3.042 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.251 1.400 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.260 1.539 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.635 -0.054 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.748 -0.426 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.320 0.403 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.742 2.185 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.479 2.806 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.997 3.555 -0.130 1.00 0.00 H new ATOM 696 N ILE A 44 1.714 1.312 -5.526 1.00 0.00 N ATOM 697 CA ILE A 44 1.286 0.788 -6.847 1.00 0.00 C ATOM 698 C ILE A 44 0.687 -0.633 -6.756 1.00 0.00 C ATOM 699 O ILE A 44 1.224 -1.499 -6.068 1.00 0.00 O ATOM 700 CB ILE A 44 2.475 0.822 -7.841 1.00 0.00 C ATOM 701 CG1 ILE A 44 3.166 2.201 -7.922 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.059 0.361 -9.250 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.280 3.364 -8.396 1.00 0.00 C ATOM 0 H ILE A 44 2.536 0.838 -5.152 1.00 0.00 H new ATOM 0 HA ILE A 44 0.491 1.437 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 44 3.203 0.117 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.561 2.448 -6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.019 2.120 -8.596 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.922 0.400 -9.915 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.684 -0.661 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.277 1.017 -9.631 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.866 4.283 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.905 3.151 -9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.440 3.484 -7.712 1.00 0.00 H new ATOM 715 N PHE A 45 -0.363 -0.935 -7.528 1.00 0.00 N ATOM 716 CA PHE A 45 -0.836 -2.312 -7.768 1.00 0.00 C ATOM 717 C PHE A 45 -0.887 -2.752 -9.243 1.00 0.00 C ATOM 718 O PHE A 45 -1.598 -2.152 -10.042 1.00 0.00 O ATOM 719 CB PHE A 45 -2.086 -2.641 -6.933 1.00 0.00 C ATOM 720 CG PHE A 45 -2.812 -3.920 -7.308 1.00 0.00 C ATOM 721 CD1 PHE A 45 -2.424 -5.146 -6.733 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.887 -3.889 -8.215 1.00 0.00 C ATOM 723 CE1 PHE A 45 -3.113 -6.331 -7.058 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.572 -5.075 -8.539 1.00 0.00 C ATOM 725 CZ PHE A 45 -4.189 -6.296 -7.960 1.00 0.00 C ATOM 0 H PHE A 45 -0.917 -0.227 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.048 -2.963 -7.389 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.793 -2.705 -5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.786 -1.810 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.596 -5.178 -6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.187 -2.953 -8.663 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.813 -7.268 -6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.396 -5.046 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.719 -7.204 -8.207 1.00 0.00 H new ATOM 735 N ALA A 46 -0.081 -3.756 -9.620 1.00 0.00 N ATOM 736 CA ALA A 46 0.086 -4.309 -10.981 1.00 0.00 C ATOM 737 C ALA A 46 0.458 -3.314 -12.119 1.00 0.00 C ATOM 738 O ALA A 46 0.666 -3.731 -13.259 1.00 0.00 O ATOM 739 CB ALA A 46 -1.134 -5.177 -11.316 1.00 0.00 C ATOM 0 H ALA A 46 0.511 -4.237 -8.943 1.00 0.00 H new ATOM 0 HA ALA A 46 0.992 -4.914 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.022 -5.591 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.211 -5.990 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.037 -4.568 -11.274 1.00 0.00 H new ATOM 745 N GLY A 47 0.578 -2.018 -11.811 1.00 0.00 N ATOM 746 CA GLY A 47 0.799 -0.907 -12.747 1.00 0.00 C ATOM 747 C GLY A 47 -0.160 0.277 -12.528 1.00 0.00 C ATOM 748 O GLY A 47 0.196 1.417 -12.817 1.00 0.00 O ATOM 0 H GLY A 47 0.520 -1.696 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.826 -0.556 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.685 -1.273 -13.767 1.00 0.00 H new ATOM 752 N LYS A 48 -1.344 0.041 -11.943 1.00 0.00 N ATOM 753 CA LYS A 48 -2.289 1.103 -11.552 1.00 0.00 C ATOM 754 C LYS A 48 -1.921 1.759 -10.216 1.00 0.00 C ATOM 755 O LYS A 48 -1.538 1.101 -9.247 1.00 0.00 O ATOM 756 CB LYS A 48 -3.748 0.586 -11.549 1.00 0.00 C ATOM 757 CG LYS A 48 -4.375 0.721 -12.942 1.00 0.00 C ATOM 758 CD LYS A 48 -5.861 0.315 -13.005 1.00 0.00 C ATOM 759 CE LYS A 48 -6.398 0.678 -14.401 1.00 0.00 C ATOM 760 NZ LYS A 48 -7.760 0.164 -14.672 1.00 0.00 N ATOM 0 H LYS A 48 -1.677 -0.898 -11.726 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.212 1.883 -12.309 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.768 -0.458 -11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.337 1.148 -10.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.277 1.755 -13.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.811 0.106 -13.644 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.972 -0.754 -12.821 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.430 0.832 -12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.402 1.763 -14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.716 0.286 -15.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.054 0.447 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.760 -0.874 -14.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.424 0.557 -13.975 1.00 0.00 H new ATOM 774 N GLN A 49 -2.056 3.076 -10.173 1.00 0.00 N ATOM 775 CA GLN A 49 -1.980 3.892 -8.964 1.00 0.00 C ATOM 776 C GLN A 49 -3.250 3.728 -8.106 1.00 0.00 C ATOM 777 O GLN A 49 -4.325 3.371 -8.597 1.00 0.00 O ATOM 778 CB GLN A 49 -1.786 5.371 -9.354 1.00 0.00 C ATOM 779 CG GLN A 49 -0.539 5.671 -10.212 1.00 0.00 C ATOM 780 CD GLN A 49 -0.762 5.619 -11.729 1.00 0.00 C ATOM 781 OE1 GLN A 49 -1.622 4.925 -12.251 1.00 0.00 O ATOM 782 NE2 GLN A 49 0.025 6.348 -12.490 1.00 0.00 N ATOM 0 H GLN A 49 -2.229 3.630 -11.012 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.129 3.558 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.669 5.705 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.730 5.965 -8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.167 6.661 -9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.242 4.957 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.747 6.931 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.086 6.330 -13.504 1.00 0.00 H new ATOM 791 N LEU A 50 -3.132 4.050 -6.820 1.00 0.00 N ATOM 792 CA LEU A 50 -4.120 3.826 -5.767 1.00 0.00 C ATOM 793 C LEU A 50 -4.417 5.165 -5.068 1.00 0.00 C ATOM 794 O LEU A 50 -3.798 5.544 -4.072 1.00 0.00 O ATOM 795 CB LEU A 50 -3.593 2.731 -4.816 1.00 0.00 C ATOM 796 CG LEU A 50 -3.415 1.338 -5.459 1.00 0.00 C ATOM 797 CD1 LEU A 50 -2.985 0.336 -4.390 1.00 0.00 C ATOM 798 CD2 LEU A 50 -4.705 0.787 -6.065 1.00 0.00 C ATOM 0 H LEU A 50 -2.291 4.503 -6.463 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.067 3.466 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.633 3.053 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.280 2.641 -3.974 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.673 1.464 -6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.859 -0.647 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.041 0.656 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.748 0.283 -3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.513 -0.194 -6.500 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.463 0.696 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.061 1.465 -6.841 1.00 0.00 H new ATOM 810 N GLU A 51 -5.364 5.884 -5.652 1.00 0.00 N ATOM 811 CA GLU A 51 -6.096 7.031 -5.096 1.00 0.00 C ATOM 812 C GLU A 51 -6.933 6.627 -3.854 1.00 0.00 C ATOM 813 O GLU A 51 -6.805 5.513 -3.338 1.00 0.00 O ATOM 814 CB GLU A 51 -6.952 7.577 -6.265 1.00 0.00 C ATOM 815 CG GLU A 51 -6.332 8.743 -7.057 1.00 0.00 C ATOM 816 CD GLU A 51 -6.370 10.094 -6.321 1.00 0.00 C ATOM 817 OE1 GLU A 51 -6.015 10.120 -5.120 1.00 0.00 O ATOM 818 OE2 GLU A 51 -6.699 11.116 -6.974 1.00 0.00 O ATOM 0 H GLU A 51 -5.670 5.670 -6.601 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.427 7.806 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.154 6.759 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.913 7.903 -5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.296 8.498 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.858 8.844 -8.006 1.00 0.00 H new ATOM 825 N ASP A 52 -7.730 7.525 -3.273 1.00 0.00 N ATOM 826 CA ASP A 52 -8.720 7.178 -2.232 1.00 0.00 C ATOM 827 C ASP A 52 -10.150 6.836 -2.721 1.00 0.00 C ATOM 828 O ASP A 52 -10.342 6.411 -3.860 1.00 0.00 O ATOM 829 CB ASP A 52 -8.597 8.094 -1.004 1.00 0.00 C ATOM 830 CG ASP A 52 -8.531 9.586 -1.323 1.00 0.00 C ATOM 831 OD1 ASP A 52 -9.545 10.134 -1.801 1.00 0.00 O ATOM 832 OD2 ASP A 52 -7.482 10.202 -1.029 1.00 0.00 O ATOM 0 H ASP A 52 -7.713 8.518 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.439 6.188 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.448 7.914 -0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.702 7.815 -0.448 1.00 0.00 H new ATOM 837 N GLY A 53 -11.162 6.929 -1.854 1.00 0.00 N ATOM 838 CA GLY A 53 -12.583 6.726 -2.171 1.00 0.00 C ATOM 839 C GLY A 53 -13.041 5.271 -2.379 1.00 0.00 C ATOM 840 O GLY A 53 -14.043 4.866 -1.789 1.00 0.00 O ATOM 0 H GLY A 53 -11.010 7.157 -0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.177 7.158 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.814 7.289 -3.075 1.00 0.00 H new ATOM 844 N ARG A 54 -12.342 4.482 -3.202 1.00 0.00 N ATOM 845 CA ARG A 54 -12.726 3.101 -3.582 1.00 0.00 C ATOM 846 C ARG A 54 -12.416 2.061 -2.494 1.00 0.00 C ATOM 847 O ARG A 54 -11.838 2.391 -1.459 1.00 0.00 O ATOM 848 CB ARG A 54 -12.074 2.750 -4.940 1.00 0.00 C ATOM 849 CG ARG A 54 -12.670 3.541 -6.103 1.00 0.00 C ATOM 850 CD ARG A 54 -12.120 3.032 -7.451 1.00 0.00 C ATOM 851 NE ARG A 54 -12.665 3.781 -8.592 1.00 0.00 N ATOM 852 CZ ARG A 54 -13.812 3.622 -9.237 1.00 0.00 C ATOM 853 NH1 ARG A 54 -14.716 2.755 -8.889 1.00 0.00 N ATOM 854 NH2 ARG A 54 -14.075 4.373 -10.278 1.00 0.00 N ATOM 0 H ARG A 54 -11.471 4.785 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.810 3.067 -3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.003 2.944 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.195 1.684 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.756 3.451 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.437 4.599 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.033 3.113 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.361 1.975 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.073 4.535 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.560 2.152 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.581 2.677 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.400 5.073 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.955 4.258 -10.781 1.00 0.00 H new ATOM 868 N THR A 55 -12.741 0.789 -2.739 1.00 0.00 N ATOM 869 CA THR A 55 -12.323 -0.378 -1.929 1.00 0.00 C ATOM 870 C THR A 55 -11.317 -1.320 -2.599 1.00 0.00 C ATOM 871 O THR A 55 -11.114 -1.269 -3.816 1.00 0.00 O ATOM 872 CB THR A 55 -13.494 -1.156 -1.295 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.916 -2.198 -2.147 1.00 0.00 O ATOM 874 CG2 THR A 55 -14.722 -0.316 -0.946 1.00 0.00 C ATOM 0 H THR A 55 -13.323 0.525 -3.534 1.00 0.00 H new ATOM 0 HA THR A 55 -11.775 0.093 -1.113 1.00 0.00 H new ATOM 0 HB THR A 55 -13.085 -1.532 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.658 -2.682 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.487 -0.956 -0.507 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.442 0.458 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.114 0.149 -1.851 1.00 0.00 H new ATOM 882 N LEU A 56 -10.698 -2.212 -1.817 1.00 0.00 N ATOM 883 CA LEU A 56 -9.769 -3.235 -2.316 1.00 0.00 C ATOM 884 C LEU A 56 -10.377 -4.102 -3.425 1.00 0.00 C ATOM 885 O LEU A 56 -9.747 -4.299 -4.462 1.00 0.00 O ATOM 886 CB LEU A 56 -9.366 -4.137 -1.143 1.00 0.00 C ATOM 887 CG LEU A 56 -8.458 -3.463 -0.103 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.414 -4.333 1.156 1.00 0.00 C ATOM 889 CD2 LEU A 56 -7.021 -3.379 -0.635 1.00 0.00 C ATOM 0 H LEU A 56 -10.829 -2.245 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.908 -2.721 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.269 -4.488 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.856 -5.017 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.849 -2.468 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.772 -3.863 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.421 -4.439 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.018 -5.317 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.385 -2.900 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.649 -4.383 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.007 -2.794 -1.555 1.00 0.00 H new ATOM 901 N SER A 57 -11.605 -4.589 -3.235 1.00 0.00 N ATOM 902 CA SER A 57 -12.277 -5.443 -4.222 1.00 0.00 C ATOM 903 C SER A 57 -12.688 -4.689 -5.496 1.00 0.00 C ATOM 904 O SER A 57 -12.821 -5.311 -6.550 1.00 0.00 O ATOM 905 CB SER A 57 -13.506 -6.086 -3.582 1.00 0.00 C ATOM 906 OG SER A 57 -13.117 -6.905 -2.494 1.00 0.00 O ATOM 0 H SER A 57 -12.160 -4.405 -2.399 1.00 0.00 H new ATOM 0 HA SER A 57 -11.559 -6.204 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.193 -5.313 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.041 -6.681 -4.322 1.00 0.00 H new ATOM 0 HG SER A 57 -13.912 -7.311 -2.090 1.00 0.00 H new ATOM 912 N ASP A 58 -12.850 -3.362 -5.429 1.00 0.00 N ATOM 913 CA ASP A 58 -13.173 -2.513 -6.597 1.00 0.00 C ATOM 914 C ASP A 58 -11.902 -2.330 -7.465 1.00 0.00 C ATOM 915 O ASP A 58 -11.978 -2.339 -8.688 1.00 0.00 O ATOM 916 CB ASP A 58 -13.671 -1.157 -6.064 1.00 0.00 C ATOM 917 CG ASP A 58 -14.456 -0.297 -7.068 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.099 -0.826 -8.007 1.00 0.00 O ATOM 919 OD2 ASP A 58 -14.465 0.937 -6.854 1.00 0.00 O ATOM 0 H ASP A 58 -12.761 -2.837 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.943 -2.971 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.304 -1.338 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.810 -0.585 -5.717 1.00 0.00 H new ATOM 924 N TYR A 59 -10.711 -2.284 -6.849 1.00 0.00 N ATOM 925 CA TYR A 59 -9.408 -2.433 -7.513 1.00 0.00 C ATOM 926 C TYR A 59 -8.980 -3.847 -7.968 1.00 0.00 C ATOM 927 O TYR A 59 -7.846 -4.045 -8.404 1.00 0.00 O ATOM 928 CB TYR A 59 -8.311 -1.649 -6.769 1.00 0.00 C ATOM 929 CG TYR A 59 -8.158 -0.191 -7.164 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.398 0.128 -8.302 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.640 0.844 -6.346 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.065 1.463 -8.588 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.300 2.185 -6.626 1.00 0.00 C ATOM 934 CZ TYR A 59 -7.486 2.498 -7.731 1.00 0.00 C ATOM 935 OH TYR A 59 -7.037 3.761 -7.934 1.00 0.00 O ATOM 0 H TYR A 59 -10.626 -2.137 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.564 -1.970 -8.487 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.518 -1.696 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.358 -2.152 -6.931 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.067 -0.660 -8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.272 0.613 -5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.484 1.696 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.667 2.976 -5.988 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.091 3.735 -8.189 1.00 0.00 H new ATOM 945 N ASN A 60 -9.871 -4.840 -7.865 1.00 0.00 N ATOM 946 CA ASN A 60 -9.621 -6.253 -8.201 1.00 0.00 C ATOM 947 C ASN A 60 -8.498 -6.915 -7.353 1.00 0.00 C ATOM 948 O ASN A 60 -7.854 -7.868 -7.797 1.00 0.00 O ATOM 949 CB ASN A 60 -9.435 -6.368 -9.737 1.00 0.00 C ATOM 950 CG ASN A 60 -9.713 -7.744 -10.332 1.00 0.00 C ATOM 951 OD1 ASN A 60 -10.215 -8.663 -9.700 1.00 0.00 O ATOM 952 ND2 ASN A 60 -9.460 -7.918 -11.613 1.00 0.00 N ATOM 0 H ASN A 60 -10.822 -4.679 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.491 -6.847 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.091 -5.644 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.412 -6.085 -9.983 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.683 -8.807 -12.061 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.042 -7.164 -12.157 1.00 0.00 H new ATOM 959 N ILE A 61 -8.236 -6.404 -6.139 1.00 0.00 N ATOM 960 CA ILE A 61 -7.139 -6.862 -5.263 1.00 0.00 C ATOM 961 C ILE A 61 -7.565 -8.128 -4.495 1.00 0.00 C ATOM 962 O ILE A 61 -8.612 -8.153 -3.849 1.00 0.00 O ATOM 963 CB ILE A 61 -6.653 -5.717 -4.335 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.350 -4.438 -5.160 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.422 -6.172 -3.527 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.700 -3.268 -4.409 1.00 0.00 C ATOM 0 H ILE A 61 -8.787 -5.650 -5.730 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.280 -7.137 -5.875 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.447 -5.473 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.697 -4.715 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.285 -4.085 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.091 -5.360 -2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.686 -7.037 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.617 -6.442 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.541 -2.438 -5.097 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.354 -2.947 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.742 -3.587 -3.998 1.00 0.00 H new ATOM 978 N GLN A 62 -6.733 -9.176 -4.544 1.00 0.00 N ATOM 979 CA GLN A 62 -6.995 -10.513 -3.981 1.00 0.00 C ATOM 980 C GLN A 62 -6.262 -10.771 -2.644 1.00 0.00 C ATOM 981 O GLN A 62 -5.305 -10.067 -2.311 1.00 0.00 O ATOM 982 CB GLN A 62 -6.620 -11.575 -5.038 1.00 0.00 C ATOM 983 CG GLN A 62 -7.418 -11.447 -6.354 1.00 0.00 C ATOM 984 CD GLN A 62 -6.880 -12.341 -7.478 1.00 0.00 C ATOM 985 OE1 GLN A 62 -6.286 -13.393 -7.254 1.00 0.00 O ATOM 986 NE2 GLN A 62 -7.099 -11.953 -8.722 1.00 0.00 N ATOM 0 H GLN A 62 -5.820 -9.116 -4.995 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.057 -10.575 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.556 -11.495 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.785 -12.567 -4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.461 -11.701 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -7.398 -10.408 -6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.592 -11.079 -8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.775 -12.527 -9.500 1.00 0.00 H new ATOM 995 N LYS A 63 -6.643 -11.816 -1.886 1.00 0.00 N ATOM 996 CA LYS A 63 -5.886 -12.257 -0.688 1.00 0.00 C ATOM 997 C LYS A 63 -4.440 -12.639 -1.063 1.00 0.00 C ATOM 998 O LYS A 63 -4.197 -13.151 -2.155 1.00 0.00 O ATOM 999 CB LYS A 63 -6.639 -13.394 0.053 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.628 -14.732 -0.726 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.398 -15.904 -0.080 1.00 0.00 C ATOM 1002 CE LYS A 63 -6.577 -16.661 0.979 1.00 0.00 C ATOM 1003 NZ LYS A 63 -7.216 -17.945 1.380 1.00 0.00 N ATOM 0 H LYS A 63 -7.473 -12.376 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.816 -11.424 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.185 -13.546 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.671 -13.088 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.044 -14.554 -1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.591 -15.039 -0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.308 -15.521 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.705 -16.602 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.580 -16.861 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.453 -16.029 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.626 -18.418 2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.157 -17.755 1.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.311 -18.560 0.547 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.487 -12.367 -0.170 1.00 0.00 N ATOM 1018 CA GLU A 64 -2.040 -12.566 -0.379 1.00 0.00 C ATOM 1019 C GLU A 64 -1.449 -11.799 -1.594 1.00 0.00 C ATOM 1020 O GLU A 64 -0.379 -12.137 -2.102 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.666 -14.072 -0.285 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.852 -14.621 1.145 1.00 0.00 C ATOM 1023 CD GLU A 64 -1.528 -16.123 1.277 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -2.300 -16.966 0.762 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -0.550 -16.486 1.978 1.00 0.00 O ATOM 0 H GLU A 64 -3.702 -11.989 0.753 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.526 -12.080 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.284 -14.644 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.630 -14.209 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.214 -14.059 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.882 -14.451 1.459 1.00 0.00 H new ATOM 1032 N SER A 65 -2.115 -10.730 -2.061 1.00 0.00 N ATOM 1033 CA SER A 65 -1.610 -9.863 -3.146 1.00 0.00 C ATOM 1034 C SER A 65 -0.310 -9.143 -2.782 1.00 0.00 C ATOM 1035 O SER A 65 -0.208 -8.543 -1.713 1.00 0.00 O ATOM 1036 CB SER A 65 -2.611 -8.768 -3.530 1.00 0.00 C ATOM 1037 OG SER A 65 -3.697 -9.299 -4.246 1.00 0.00 O ATOM 0 H SER A 65 -3.022 -10.439 -1.697 1.00 0.00 H new ATOM 0 HA SER A 65 -1.443 -10.551 -3.975 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.974 -8.272 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.111 -8.010 -4.133 1.00 0.00 H new ATOM 0 HG SER A 65 -4.388 -9.597 -3.618 1.00 0.00 H new ATOM 1043 N THR A 66 0.631 -9.102 -3.727 1.00 0.00 N ATOM 1044 CA THR A 66 1.826 -8.237 -3.677 1.00 0.00 C ATOM 1045 C THR A 66 1.667 -6.898 -4.398 1.00 0.00 C ATOM 1046 O THR A 66 1.753 -6.820 -5.625 1.00 0.00 O ATOM 1047 CB THR A 66 3.109 -8.966 -4.126 1.00 0.00 C ATOM 1048 OG1 THR A 66 3.156 -10.280 -3.621 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.379 -8.254 -3.668 1.00 0.00 C ATOM 0 H THR A 66 0.589 -9.678 -4.568 1.00 0.00 H new ATOM 0 HA THR A 66 1.935 -7.994 -2.620 1.00 0.00 H new ATOM 0 HB THR A 66 3.070 -8.973 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.979 -10.717 -3.923 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.252 -8.810 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.403 -7.247 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.391 -8.196 -2.580 1.00 0.00 H new ATOM 1057 N LEU A 67 1.453 -5.828 -3.633 1.00 0.00 N ATOM 1058 CA LEU A 67 1.567 -4.448 -4.100 1.00 0.00 C ATOM 1059 C LEU A 67 3.049 -4.063 -4.265 1.00 0.00 C ATOM 1060 O LEU A 67 3.917 -4.573 -3.563 1.00 0.00 O ATOM 1061 CB LEU A 67 0.859 -3.494 -3.119 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.667 -3.717 -3.039 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.107 -4.684 -1.942 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.381 -2.389 -2.818 1.00 0.00 C ATOM 0 H LEU A 67 1.190 -5.899 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 67 1.081 -4.362 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.290 -3.621 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.053 -2.465 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.939 -4.167 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.192 -4.782 -1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.652 -5.660 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.791 -4.302 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.456 -2.559 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.036 -1.941 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.162 -1.716 -3.647 1.00 0.00 H new ATOM 1076 N HIS A 68 3.341 -3.125 -5.157 1.00 0.00 N ATOM 1077 CA HIS A 68 4.627 -2.443 -5.237 1.00 0.00 C ATOM 1078 C HIS A 68 4.539 -1.086 -4.624 1.00 0.00 C ATOM 1079 O HIS A 68 3.480 -0.537 -4.318 1.00 0.00 O ATOM 1080 CB HIS A 68 5.145 -2.371 -6.680 1.00 0.00 C ATOM 1081 CG HIS A 68 5.606 -3.690 -7.245 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.878 -4.869 -7.338 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.818 -3.934 -7.821 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.649 -5.784 -7.931 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.852 -5.265 -8.239 1.00 0.00 N ATOM 0 H HIS A 68 2.674 -2.810 -5.862 1.00 0.00 H new ATOM 0 HA HIS A 68 5.350 -3.028 -4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.355 -1.974 -7.317 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.973 -1.663 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.618 -3.217 -7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.348 -6.801 -8.135 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.631 -5.747 -8.687 1.00 0.00 H new ATOM 1093 N LEU A 69 5.726 -0.550 -4.458 1.00 0.00 N ATOM 1094 CA LEU A 69 5.877 0.796 -4.069 1.00 0.00 C ATOM 1095 C LEU A 69 6.708 1.629 -5.042 1.00 0.00 C ATOM 1096 O LEU A 69 7.654 1.124 -5.643 1.00 0.00 O ATOM 1097 CB LEU A 69 6.516 0.862 -2.698 1.00 0.00 C ATOM 1098 CG LEU A 69 6.746 2.189 -1.971 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.403 2.819 -1.655 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.503 1.965 -0.659 1.00 0.00 C ATOM 0 H LEU A 69 6.603 -1.052 -4.594 1.00 0.00 H new ATOM 0 HA LEU A 69 4.874 1.223 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.907 0.244 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.489 0.377 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 69 7.336 2.841 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.558 3.765 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.858 2.998 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.827 2.147 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.655 2.921 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.924 1.306 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.470 1.508 -0.870 1.00 0.00 H new ATOM 1112 N VAL A 70 6.448 2.935 -5.053 1.00 0.00 N ATOM 1113 CA VAL A 70 7.461 3.917 -5.433 1.00 0.00 C ATOM 1114 C VAL A 70 7.689 4.978 -4.396 1.00 0.00 C ATOM 1115 O VAL A 70 6.904 5.179 -3.489 1.00 0.00 O ATOM 1116 CB VAL A 70 7.069 4.769 -6.669 1.00 0.00 C ATOM 1117 CG1 VAL A 70 7.616 4.076 -7.887 1.00 0.00 C ATOM 1118 CG2 VAL A 70 5.583 5.090 -6.821 1.00 0.00 C ATOM 0 H VAL A 70 5.545 3.337 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 70 8.329 3.279 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 70 7.509 5.757 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.359 4.649 -8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.700 3.999 -7.806 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.186 3.077 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.430 5.689 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.017 4.162 -6.903 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.240 5.648 -5.950 1.00 0.00 H new ATOM 1128 N LEU A 71 8.730 5.758 -4.649 1.00 0.00 N ATOM 1129 CA LEU A 71 8.776 7.133 -4.212 1.00 0.00 C ATOM 1130 C LEU A 71 7.758 8.128 -4.788 1.00 0.00 C ATOM 1131 O LEU A 71 7.014 7.848 -5.716 1.00 0.00 O ATOM 1132 CB LEU A 71 10.159 7.741 -4.497 1.00 0.00 C ATOM 1133 CG LEU A 71 11.325 6.994 -3.822 1.00 0.00 C ATOM 1134 CD1 LEU A 71 12.662 7.484 -4.381 1.00 0.00 C ATOM 1135 CD2 LEU A 71 11.342 7.207 -2.306 1.00 0.00 C ATOM 0 H LEU A 71 9.558 5.452 -5.160 1.00 0.00 H new ATOM 0 HA LEU A 71 8.526 7.022 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.324 7.753 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.164 8.778 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 71 11.181 5.934 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.478 6.948 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.696 7.301 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.766 8.552 -4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.180 6.662 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.448 8.270 -2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.410 6.841 -1.877 1.00 0.00 H new