USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 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= 0.0711 K(o=-0.76,f=-1.5) USER MOD Set 1.2: A 41 ASN : amide:sc= -0.829 X(o=-0.76,f=-0.35) USER MOD Set 2.1: A 25 ASN : amide:sc= 1.04 K(o=2.3,f=-7.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 178:sc= 1.22 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -37:sc= 0.801 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= 0.841 (180deg=-0.133) USER MOD Single : A 31 GLN : amide:sc= 0.922 K(o=0.92,f=-0.053) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00617) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0231 K(o=-0.023,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot -106:sc= 1.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -45:sc= 0.503 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 62 GLN : amide:sc= -0.252 K(o=-0.25,f=-3.5!) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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=-0.089) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 -4.644 -10.696 5.006 1.00 0.00 N ATOM 21 CA GLN A 2 -3.260 -10.251 4.915 1.00 0.00 C ATOM 22 C GLN A 2 -2.903 -9.852 3.474 1.00 0.00 C ATOM 23 O GLN A 2 -3.258 -10.571 2.539 1.00 0.00 O ATOM 24 CB GLN A 2 -2.379 -11.374 5.462 1.00 0.00 C ATOM 25 CG GLN A 2 -0.892 -11.017 5.522 1.00 0.00 C ATOM 26 CD GLN A 2 -0.170 -11.984 6.446 1.00 0.00 C ATOM 27 OE1 GLN A 2 0.339 -13.015 6.034 1.00 0.00 O ATOM 28 NE2 GLN A 2 -0.312 -11.826 7.744 1.00 0.00 N ATOM 0 HA GLN A 2 -3.097 -9.352 5.510 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.721 -11.637 6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.506 -12.259 4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.457 -11.060 4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.768 -9.995 5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.734 -10.973 8.111 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.000 -12.556 8.384 1.00 0.00 H new ATOM 37 N ILE A 3 -2.189 -8.737 3.290 1.00 0.00 N ATOM 38 CA ILE A 3 -1.707 -8.236 1.986 1.00 0.00 C ATOM 39 C ILE A 3 -0.276 -7.697 2.128 1.00 0.00 C ATOM 40 O ILE A 3 0.168 -7.377 3.235 1.00 0.00 O ATOM 41 CB ILE A 3 -2.663 -7.175 1.377 1.00 0.00 C ATOM 42 CG1 ILE A 3 -2.707 -5.868 2.205 1.00 0.00 C ATOM 43 CG2 ILE A 3 -4.075 -7.752 1.158 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.511 -4.730 1.561 1.00 0.00 C ATOM 0 H ILE A 3 -1.918 -8.134 4.067 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.695 -9.071 1.286 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.254 -6.910 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.133 -6.088 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.686 -5.525 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.720 -6.984 0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.020 -8.600 0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.486 -8.081 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.487 -3.855 2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.074 -4.477 0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.544 -5.049 1.420 1.00 0.00 H new ATOM 56 N PHE A 4 0.445 -7.588 1.008 1.00 0.00 N ATOM 57 CA PHE A 4 1.879 -7.279 0.988 1.00 0.00 C ATOM 58 C PHE A 4 2.256 -6.044 0.160 1.00 0.00 C ATOM 59 O PHE A 4 1.607 -5.759 -0.845 1.00 0.00 O ATOM 60 CB PHE A 4 2.666 -8.513 0.533 1.00 0.00 C ATOM 61 CG PHE A 4 2.533 -9.705 1.466 1.00 0.00 C ATOM 62 CD1 PHE A 4 3.242 -9.755 2.681 1.00 0.00 C ATOM 63 CD2 PHE A 4 1.658 -10.754 1.127 1.00 0.00 C ATOM 64 CE1 PHE A 4 3.087 -10.857 3.542 1.00 0.00 C ATOM 65 CE2 PHE A 4 1.497 -11.852 1.992 1.00 0.00 C ATOM 66 CZ PHE A 4 2.211 -11.902 3.202 1.00 0.00 C ATOM 0 H PHE A 4 0.045 -7.713 0.078 1.00 0.00 H new ATOM 0 HA PHE A 4 2.150 -7.017 2.011 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.326 -8.802 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.720 -8.248 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.905 -8.947 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.108 -10.716 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.643 -10.900 4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.826 -12.655 1.727 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.087 -12.742 3.869 1.00 0.00 H new ATOM 76 N VAL A 5 3.336 -5.347 0.531 1.00 0.00 N ATOM 77 CA VAL A 5 3.936 -4.253 -0.261 1.00 0.00 C ATOM 78 C VAL A 5 5.408 -4.493 -0.597 1.00 0.00 C ATOM 79 O VAL A 5 6.172 -4.928 0.263 1.00 0.00 O ATOM 80 CB VAL A 5 3.702 -2.843 0.330 1.00 0.00 C ATOM 81 CG1 VAL A 5 3.898 -1.750 -0.730 1.00 0.00 C ATOM 82 CG2 VAL A 5 2.310 -2.666 0.954 1.00 0.00 C ATOM 0 H VAL A 5 3.831 -5.526 1.405 1.00 0.00 H new ATOM 0 HA VAL A 5 3.389 -4.272 -1.203 1.00 0.00 H new ATOM 0 HB VAL A 5 4.446 -2.743 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.726 -0.772 -0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.916 -1.797 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.192 -1.904 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.214 -1.655 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.547 -2.833 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.180 -3.385 1.763 1.00 0.00 H new ATOM 92 N LYS A 6 5.809 -4.182 -1.834 1.00 0.00 N ATOM 93 CA LYS A 6 7.176 -4.274 -2.360 1.00 0.00 C ATOM 94 C LYS A 6 7.786 -2.880 -2.342 1.00 0.00 C ATOM 95 O LYS A 6 7.336 -2.022 -3.099 1.00 0.00 O ATOM 96 CB LYS A 6 7.085 -4.872 -3.784 1.00 0.00 C ATOM 97 CG LYS A 6 8.260 -4.610 -4.738 1.00 0.00 C ATOM 98 CD LYS A 6 9.517 -5.426 -4.397 1.00 0.00 C ATOM 99 CE LYS A 6 10.602 -5.126 -5.440 1.00 0.00 C ATOM 100 NZ LYS A 6 11.400 -6.320 -5.820 1.00 0.00 N ATOM 0 H LYS A 6 5.152 -3.840 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 6 7.818 -4.919 -1.761 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.963 -5.951 -3.689 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.179 -4.489 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.950 -4.843 -5.757 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.507 -3.549 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.873 -5.171 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.285 -6.491 -4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.133 -4.712 -6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.271 -4.360 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.114 -6.050 -6.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.874 -6.703 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.771 -7.044 -6.223 1.00 0.00 H new ATOM 114 N THR A 7 8.782 -2.629 -1.495 1.00 0.00 N ATOM 115 CA THR A 7 9.530 -1.363 -1.523 1.00 0.00 C ATOM 116 C THR A 7 10.577 -1.248 -2.633 1.00 0.00 C ATOM 117 O THR A 7 10.978 -2.243 -3.240 1.00 0.00 O ATOM 118 CB THR A 7 10.074 -0.917 -0.149 1.00 0.00 C ATOM 119 OG1 THR A 7 11.388 -1.384 0.056 1.00 0.00 O ATOM 120 CG2 THR A 7 9.243 -1.347 1.054 1.00 0.00 C ATOM 0 H THR A 7 9.094 -3.284 -0.778 1.00 0.00 H new ATOM 0 HA THR A 7 8.760 -0.639 -1.791 1.00 0.00 H new ATOM 0 HB THR A 7 10.032 0.171 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.708 -1.086 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.712 -0.983 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.239 -0.931 0.970 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.183 -2.435 1.085 1.00 0.00 H new ATOM 128 N LEU A 8 11.047 -0.019 -2.865 1.00 0.00 N ATOM 129 CA LEU A 8 12.174 0.288 -3.757 1.00 0.00 C ATOM 130 C LEU A 8 13.443 -0.482 -3.351 1.00 0.00 C ATOM 131 O LEU A 8 14.143 -1.033 -4.197 1.00 0.00 O ATOM 132 CB LEU A 8 12.440 1.806 -3.708 1.00 0.00 C ATOM 133 CG LEU A 8 11.278 2.688 -4.203 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.529 4.138 -3.802 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.121 2.625 -5.721 1.00 0.00 C ATOM 0 H LEU A 8 10.646 0.811 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 8 11.916 -0.021 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.676 2.085 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.323 2.024 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 8 10.364 2.311 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.706 4.760 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.600 4.208 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.461 4.483 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.291 3.261 -6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.039 2.972 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.922 1.597 -6.024 1.00 0.00 H new ATOM 147 N THR A 9 13.683 -0.599 -2.042 1.00 0.00 N ATOM 148 CA THR A 9 14.724 -1.432 -1.417 1.00 0.00 C ATOM 149 C THR A 9 14.524 -2.951 -1.495 1.00 0.00 C ATOM 150 O THR A 9 15.173 -3.705 -0.776 1.00 0.00 O ATOM 151 CB THR A 9 15.068 -0.969 0.016 1.00 0.00 C ATOM 152 OG1 THR A 9 14.609 0.343 0.268 1.00 0.00 O ATOM 153 CG2 THR A 9 16.569 -0.984 0.300 1.00 0.00 C ATOM 0 H THR A 9 13.131 -0.091 -1.351 1.00 0.00 H new ATOM 0 HA THR A 9 15.590 -1.256 -2.055 1.00 0.00 H new ATOM 0 HB THR A 9 14.566 -1.684 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 9 14.843 0.601 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 9 16.749 -0.649 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 9 16.952 -1.997 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.078 -0.317 -0.396 1.00 0.00 H new ATOM 161 N GLY A 10 13.564 -3.416 -2.298 1.00 0.00 N ATOM 162 CA GLY A 10 13.227 -4.829 -2.492 1.00 0.00 C ATOM 163 C GLY A 10 12.485 -5.502 -1.331 1.00 0.00 C ATOM 164 O GLY A 10 11.973 -6.601 -1.523 1.00 0.00 O ATOM 0 H GLY A 10 12.977 -2.794 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.615 -4.917 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.148 -5.381 -2.679 1.00 0.00 H new ATOM 168 N LYS A 11 12.399 -4.868 -0.152 1.00 0.00 N ATOM 169 CA LYS A 11 11.797 -5.455 1.056 1.00 0.00 C ATOM 170 C LYS A 11 10.295 -5.721 0.903 1.00 0.00 C ATOM 171 O LYS A 11 9.559 -4.880 0.383 1.00 0.00 O ATOM 172 CB LYS A 11 12.042 -4.574 2.300 1.00 0.00 C ATOM 173 CG LYS A 11 13.527 -4.379 2.656 1.00 0.00 C ATOM 174 CD LYS A 11 13.682 -3.840 4.089 1.00 0.00 C ATOM 175 CE LYS A 11 15.157 -3.587 4.426 1.00 0.00 C ATOM 176 NZ LYS A 11 15.365 -3.314 5.870 1.00 0.00 N ATOM 0 H LYS A 11 12.750 -3.921 -0.008 1.00 0.00 H new ATOM 0 HA LYS A 11 12.294 -6.415 1.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.589 -3.597 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.532 -5.021 3.153 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.055 -5.328 2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.986 -3.686 1.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.117 -2.914 4.196 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.261 -4.554 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.748 -4.455 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.521 -2.742 3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.376 -3.149 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.822 -2.471 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.043 -4.131 6.428 1.00 0.00 H new ATOM 190 N THR A 12 9.854 -6.855 1.445 1.00 0.00 N ATOM 191 CA THR A 12 8.446 -7.169 1.726 1.00 0.00 C ATOM 192 C THR A 12 7.902 -6.584 3.027 1.00 0.00 C ATOM 193 O THR A 12 8.441 -6.883 4.096 1.00 0.00 O ATOM 194 CB THR A 12 8.124 -8.674 1.646 1.00 0.00 C ATOM 195 OG1 THR A 12 8.985 -9.345 0.752 1.00 0.00 O ATOM 196 CG2 THR A 12 6.684 -8.935 1.209 1.00 0.00 C ATOM 0 H THR A 12 10.486 -7.610 1.712 1.00 0.00 H new ATOM 0 HA THR A 12 7.923 -6.663 0.915 1.00 0.00 H new ATOM 0 HB THR A 12 8.268 -9.058 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.754 -10.297 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.505 -10.009 1.168 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.999 -8.481 1.924 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.519 -8.501 0.223 1.00 0.00 H new ATOM 204 N ILE A 13 6.834 -5.791 2.934 1.00 0.00 N ATOM 205 CA ILE A 13 6.050 -5.239 4.049 1.00 0.00 C ATOM 206 C ILE A 13 4.737 -6.020 4.192 1.00 0.00 C ATOM 207 O ILE A 13 4.118 -6.344 3.177 1.00 0.00 O ATOM 208 CB ILE A 13 5.734 -3.749 3.786 1.00 0.00 C ATOM 209 CG1 ILE A 13 6.941 -2.931 3.274 1.00 0.00 C ATOM 210 CG2 ILE A 13 5.079 -3.085 5.010 1.00 0.00 C ATOM 211 CD1 ILE A 13 8.146 -2.894 4.223 1.00 0.00 C ATOM 0 H ILE A 13 6.469 -5.497 2.028 1.00 0.00 H new ATOM 0 HA ILE A 13 6.630 -5.327 4.968 1.00 0.00 H new ATOM 0 HB ILE A 13 5.013 -3.745 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.262 -3.345 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.614 -1.908 3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.871 -2.038 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.147 -3.598 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.755 -3.148 5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.942 -2.297 3.777 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.848 -2.450 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.506 -3.909 4.394 1.00 0.00 H new ATOM 223 N THR A 14 4.277 -6.254 5.424 1.00 0.00 N ATOM 224 CA THR A 14 3.019 -6.959 5.751 1.00 0.00 C ATOM 225 C THR A 14 1.925 -6.085 6.369 1.00 0.00 C ATOM 226 O THR A 14 2.183 -5.358 7.328 1.00 0.00 O ATOM 227 CB THR A 14 3.265 -8.209 6.616 1.00 0.00 C ATOM 228 OG1 THR A 14 4.426 -8.897 6.204 1.00 0.00 O ATOM 229 CG2 THR A 14 2.097 -9.194 6.596 1.00 0.00 C ATOM 0 H THR A 14 4.783 -5.950 6.256 1.00 0.00 H new ATOM 0 HA THR A 14 2.633 -7.267 4.779 1.00 0.00 H new ATOM 0 HB THR A 14 3.384 -7.833 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.558 -9.685 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.334 -10.052 7.225 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.201 -8.703 6.975 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.922 -9.530 5.574 1.00 0.00 H new ATOM 237 N LEU A 15 0.691 -6.187 5.864 1.00 0.00 N ATOM 238 CA LEU A 15 -0.499 -5.485 6.366 1.00 0.00 C ATOM 239 C LEU A 15 -1.678 -6.453 6.568 1.00 0.00 C ATOM 240 O LEU A 15 -1.709 -7.540 5.995 1.00 0.00 O ATOM 241 CB LEU A 15 -0.888 -4.352 5.394 1.00 0.00 C ATOM 242 CG LEU A 15 0.171 -3.251 5.206 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.197 -2.369 4.010 1.00 0.00 C ATOM 244 CD2 LEU A 15 0.307 -2.355 6.439 1.00 0.00 C ATOM 0 H LEU A 15 0.484 -6.784 5.063 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.257 -5.055 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.108 -4.791 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.808 -3.890 5.751 1.00 0.00 H new ATOM 0 HG LEU A 15 1.122 -3.757 5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.558 -1.593 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.243 -2.980 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.168 -1.906 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.066 -1.595 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.648 -1.871 6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.599 -2.959 7.298 1.00 0.00 H new ATOM 256 N GLU A 16 -2.661 -6.023 7.358 1.00 0.00 N ATOM 257 CA GLU A 16 -3.936 -6.718 7.622 1.00 0.00 C ATOM 258 C GLU A 16 -5.126 -5.764 7.472 1.00 0.00 C ATOM 259 O GLU A 16 -5.069 -4.611 7.913 1.00 0.00 O ATOM 260 CB GLU A 16 -3.947 -7.361 9.022 1.00 0.00 C ATOM 261 CG GLU A 16 -3.507 -8.834 9.049 1.00 0.00 C ATOM 262 CD GLU A 16 -4.609 -9.823 8.621 1.00 0.00 C ATOM 263 OE1 GLU A 16 -5.573 -9.438 7.917 1.00 0.00 O ATOM 264 OE2 GLU A 16 -4.503 -11.006 9.013 1.00 0.00 O ATOM 0 H GLU A 16 -2.594 -5.137 7.860 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.030 -7.511 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.292 -6.787 9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.953 -7.288 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.646 -8.958 8.392 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.178 -9.086 10.057 1.00 0.00 H new ATOM 271 N VAL A 17 -6.188 -6.256 6.834 1.00 0.00 N ATOM 272 CA VAL A 17 -7.386 -5.515 6.389 1.00 0.00 C ATOM 273 C VAL A 17 -8.540 -6.519 6.213 1.00 0.00 C ATOM 274 O VAL A 17 -8.345 -7.732 6.261 1.00 0.00 O ATOM 275 CB VAL A 17 -7.123 -4.805 5.034 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.244 -3.556 5.186 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.470 -5.712 3.981 1.00 0.00 C ATOM 0 H VAL A 17 -6.246 -7.246 6.595 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.637 -4.759 7.134 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.118 -4.524 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.091 -3.098 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.736 -2.843 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.280 -3.839 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.316 -5.149 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.509 -6.068 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.120 -6.564 3.781 1.00 0.00 H new ATOM 287 N GLU A 18 -9.763 -6.036 6.011 1.00 0.00 N ATOM 288 CA GLU A 18 -10.899 -6.829 5.505 1.00 0.00 C ATOM 289 C GLU A 18 -10.891 -6.834 3.955 1.00 0.00 C ATOM 290 O GLU A 18 -10.553 -5.808 3.360 1.00 0.00 O ATOM 291 CB GLU A 18 -12.215 -6.222 6.058 1.00 0.00 C ATOM 292 CG GLU A 18 -13.103 -7.229 6.814 1.00 0.00 C ATOM 293 CD GLU A 18 -13.974 -8.110 5.896 1.00 0.00 C ATOM 294 OE1 GLU A 18 -14.222 -7.707 4.737 1.00 0.00 O ATOM 295 OE2 GLU A 18 -14.342 -9.222 6.362 1.00 0.00 O ATOM 0 H GLU A 18 -10.006 -5.063 6.196 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.817 -7.863 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.969 -5.397 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.785 -5.802 5.229 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.468 -7.873 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.752 -6.683 7.499 1.00 0.00 H new ATOM 302 N PRO A 19 -11.340 -7.903 3.259 1.00 0.00 N ATOM 303 CA PRO A 19 -11.581 -7.847 1.812 1.00 0.00 C ATOM 304 C PRO A 19 -12.543 -6.722 1.392 1.00 0.00 C ATOM 305 O PRO A 19 -12.435 -6.241 0.263 1.00 0.00 O ATOM 306 CB PRO A 19 -12.138 -9.224 1.426 1.00 0.00 C ATOM 307 CG PRO A 19 -12.636 -9.821 2.740 1.00 0.00 C ATOM 308 CD PRO A 19 -11.656 -9.237 3.751 1.00 0.00 C ATOM 0 HA PRO A 19 -10.651 -7.617 1.292 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.946 -9.135 0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.369 -9.850 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.664 -9.531 2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.608 -10.911 2.729 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.098 -9.194 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.758 -9.850 3.827 1.00 0.00 H new ATOM 316 N SER A 20 -13.449 -6.280 2.276 1.00 0.00 N ATOM 317 CA SER A 20 -14.346 -5.149 2.008 1.00 0.00 C ATOM 318 C SER A 20 -13.780 -3.777 2.426 1.00 0.00 C ATOM 319 O SER A 20 -14.501 -2.781 2.317 1.00 0.00 O ATOM 320 CB SER A 20 -15.714 -5.411 2.649 1.00 0.00 C ATOM 321 OG SER A 20 -16.647 -4.458 2.172 1.00 0.00 O ATOM 0 H SER A 20 -13.580 -6.698 3.197 1.00 0.00 H new ATOM 0 HA SER A 20 -14.453 -5.085 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.053 -6.419 2.410 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.637 -5.349 3.735 1.00 0.00 H new ATOM 0 HG SER A 20 -16.206 -3.589 2.074 1.00 0.00 H new ATOM 327 N ASP A 21 -12.535 -3.671 2.909 1.00 0.00 N ATOM 328 CA ASP A 21 -11.920 -2.373 3.213 1.00 0.00 C ATOM 329 C ASP A 21 -11.729 -1.413 2.034 1.00 0.00 C ATOM 330 O ASP A 21 -11.371 -1.795 0.917 1.00 0.00 O ATOM 331 CB ASP A 21 -10.659 -2.475 4.097 1.00 0.00 C ATOM 332 CG ASP A 21 -10.955 -2.532 5.599 1.00 0.00 C ATOM 333 OD1 ASP A 21 -11.856 -1.796 6.070 1.00 0.00 O ATOM 334 OD2 ASP A 21 -10.252 -3.269 6.330 1.00 0.00 O ATOM 0 H ASP A 21 -11.932 -4.472 3.098 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.695 -1.893 3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.100 -3.366 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.016 -1.618 3.896 1.00 0.00 H new ATOM 339 N THR A 22 -11.953 -0.126 2.309 1.00 0.00 N ATOM 340 CA THR A 22 -11.704 0.968 1.367 1.00 0.00 C ATOM 341 C THR A 22 -10.233 1.298 1.137 1.00 0.00 C ATOM 342 O THR A 22 -9.414 1.217 2.052 1.00 0.00 O ATOM 343 CB THR A 22 -12.566 2.224 1.597 1.00 0.00 C ATOM 344 OG1 THR A 22 -11.888 3.159 2.408 1.00 0.00 O ATOM 345 CG2 THR A 22 -13.920 1.962 2.257 1.00 0.00 C ATOM 0 H THR A 22 -12.318 0.191 3.207 1.00 0.00 H new ATOM 0 HA THR A 22 -12.050 0.548 0.422 1.00 0.00 H new ATOM 0 HB THR A 22 -12.747 2.604 0.592 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.453 3.949 2.539 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.454 2.904 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 22 -14.506 1.290 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.766 1.505 3.234 1.00 0.00 H new ATOM 353 N ILE A 23 -9.895 1.748 -0.074 1.00 0.00 N ATOM 354 CA ILE A 23 -8.541 2.166 -0.454 1.00 0.00 C ATOM 355 C ILE A 23 -8.015 3.320 0.427 1.00 0.00 C ATOM 356 O ILE A 23 -6.813 3.381 0.671 1.00 0.00 O ATOM 357 CB ILE A 23 -8.526 2.490 -1.970 1.00 0.00 C ATOM 358 CG1 ILE A 23 -8.747 1.235 -2.849 1.00 0.00 C ATOM 359 CG2 ILE A 23 -7.237 3.197 -2.414 1.00 0.00 C ATOM 360 CD1 ILE A 23 -7.712 0.107 -2.725 1.00 0.00 C ATOM 0 H ILE A 23 -10.569 1.834 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.843 1.348 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.363 3.172 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.728 0.823 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.779 1.553 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.283 3.399 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.132 4.137 -1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.380 2.558 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.984 -0.711 -3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.727 0.486 -2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.690 -0.255 -1.697 1.00 0.00 H new ATOM 372 N GLU A 24 -8.894 4.178 0.966 1.00 0.00 N ATOM 373 CA GLU A 24 -8.561 5.175 2.005 1.00 0.00 C ATOM 374 C GLU A 24 -8.182 4.515 3.340 1.00 0.00 C ATOM 375 O GLU A 24 -7.187 4.888 3.954 1.00 0.00 O ATOM 376 CB GLU A 24 -9.751 6.140 2.197 1.00 0.00 C ATOM 377 CG GLU A 24 -9.681 7.088 3.416 1.00 0.00 C ATOM 378 CD GLU A 24 -8.544 8.126 3.378 1.00 0.00 C ATOM 379 OE1 GLU A 24 -7.766 8.149 2.394 1.00 0.00 O ATOM 380 OE2 GLU A 24 -8.481 8.959 4.317 1.00 0.00 O ATOM 0 H GLU A 24 -9.876 4.202 0.690 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.688 5.733 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.846 6.748 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.662 5.547 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.631 7.617 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.571 6.486 4.318 1.00 0.00 H new ATOM 387 N ASN A 25 -8.939 3.503 3.781 1.00 0.00 N ATOM 388 CA ASN A 25 -8.684 2.796 5.040 1.00 0.00 C ATOM 389 C ASN A 25 -7.281 2.155 5.021 1.00 0.00 C ATOM 390 O ASN A 25 -6.517 2.281 5.979 1.00 0.00 O ATOM 391 CB ASN A 25 -9.811 1.761 5.249 1.00 0.00 C ATOM 392 CG ASN A 25 -10.084 1.519 6.722 1.00 0.00 C ATOM 393 OD1 ASN A 25 -9.193 1.229 7.502 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.319 1.633 7.151 1.00 0.00 N ATOM 0 H ASN A 25 -9.749 3.151 3.271 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.691 3.487 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.722 2.111 4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.535 0.821 4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.533 1.479 8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.065 1.876 6.499 1.00 0.00 H new ATOM 401 N VAL A 26 -6.888 1.562 3.887 1.00 0.00 N ATOM 402 CA VAL A 26 -5.507 1.099 3.657 1.00 0.00 C ATOM 403 C VAL A 26 -4.467 2.220 3.583 1.00 0.00 C ATOM 404 O VAL A 26 -3.417 2.121 4.223 1.00 0.00 O ATOM 405 CB VAL A 26 -5.377 0.174 2.435 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.123 -0.703 2.544 1.00 0.00 C ATOM 407 CG2 VAL A 26 -6.590 -0.741 2.237 1.00 0.00 C ATOM 0 H VAL A 26 -7.515 1.388 3.102 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.282 0.519 4.552 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.308 0.838 1.573 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.053 -1.348 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.239 -0.068 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.185 -1.317 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.434 -1.367 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.716 -1.374 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.484 -0.134 2.096 1.00 0.00 H new ATOM 417 N LYS A 27 -4.760 3.310 2.847 1.00 0.00 N ATOM 418 CA LYS A 27 -3.884 4.490 2.757 1.00 0.00 C ATOM 419 C LYS A 27 -3.629 5.129 4.122 1.00 0.00 C ATOM 420 O LYS A 27 -2.574 5.725 4.277 1.00 0.00 O ATOM 421 CB LYS A 27 -4.476 5.560 1.804 1.00 0.00 C ATOM 422 CG LYS A 27 -3.488 6.006 0.715 1.00 0.00 C ATOM 423 CD LYS A 27 -3.429 5.071 -0.504 1.00 0.00 C ATOM 424 CE LYS A 27 -4.657 5.134 -1.428 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.837 6.438 -2.128 1.00 0.00 N ATOM 0 H LYS A 27 -5.615 3.395 2.297 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.935 4.131 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.373 5.161 1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.782 6.429 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.762 7.006 0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.492 6.079 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.541 5.314 -1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.309 4.046 -0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.576 4.344 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.550 4.926 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.686 6.914 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.005 7.039 -1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.946 6.272 -3.149 1.00 0.00 H new ATOM 439 N ALA A 28 -4.542 4.982 5.081 1.00 0.00 N ATOM 440 CA ALA A 28 -4.362 5.423 6.465 1.00 0.00 C ATOM 441 C ALA A 28 -3.586 4.389 7.310 1.00 0.00 C ATOM 442 O ALA A 28 -2.552 4.713 7.899 1.00 0.00 O ATOM 443 CB ALA A 28 -5.746 5.727 7.055 1.00 0.00 C ATOM 0 H ALA A 28 -5.448 4.543 4.915 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.752 6.326 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.637 6.058 8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.226 6.512 6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.360 4.827 7.026 1.00 0.00 H new ATOM 449 N LYS A 29 -4.033 3.122 7.335 1.00 0.00 N ATOM 450 CA LYS A 29 -3.412 2.040 8.134 1.00 0.00 C ATOM 451 C LYS A 29 -1.917 1.844 7.868 1.00 0.00 C ATOM 452 O LYS A 29 -1.173 1.503 8.788 1.00 0.00 O ATOM 453 CB LYS A 29 -4.163 0.714 7.913 1.00 0.00 C ATOM 454 CG LYS A 29 -5.452 0.622 8.745 1.00 0.00 C ATOM 455 CD LYS A 29 -6.234 -0.659 8.395 1.00 0.00 C ATOM 456 CE LYS A 29 -7.252 -1.106 9.457 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.298 -0.092 9.734 1.00 0.00 N ATOM 0 H LYS A 29 -4.843 2.812 6.798 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.496 2.354 9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.409 0.611 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.508 -0.118 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.207 0.626 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.075 1.497 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.759 -0.501 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.523 -1.468 8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.729 -2.029 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.724 -1.334 10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.970 -0.469 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.855 0.770 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.804 0.134 8.854 1.00 0.00 H new ATOM 471 N ILE A 30 -1.461 2.092 6.638 1.00 0.00 N ATOM 472 CA ILE A 30 -0.040 1.939 6.288 1.00 0.00 C ATOM 473 C ILE A 30 0.885 2.918 7.041 1.00 0.00 C ATOM 474 O ILE A 30 2.020 2.548 7.352 1.00 0.00 O ATOM 475 CB ILE A 30 0.154 2.047 4.758 1.00 0.00 C ATOM 476 CG1 ILE A 30 1.505 1.397 4.389 1.00 0.00 C ATOM 477 CG2 ILE A 30 0.073 3.486 4.236 1.00 0.00 C ATOM 478 CD1 ILE A 30 1.674 1.200 2.871 1.00 0.00 C ATOM 0 H ILE A 30 -2.052 2.400 5.866 1.00 0.00 H new ATOM 0 HA ILE A 30 0.257 0.942 6.613 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.668 1.519 4.274 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.318 2.020 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.588 0.431 4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.218 3.490 3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.905 3.904 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.849 4.089 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.641 0.740 2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.880 0.554 2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.621 2.167 2.371 1.00 0.00 H new ATOM 490 N GLN A 31 0.419 4.126 7.388 1.00 0.00 N ATOM 491 CA GLN A 31 1.225 5.059 8.181 1.00 0.00 C ATOM 492 C GLN A 31 1.353 4.644 9.653 1.00 0.00 C ATOM 493 O GLN A 31 2.420 4.838 10.225 1.00 0.00 O ATOM 494 CB GLN A 31 0.714 6.504 8.063 1.00 0.00 C ATOM 495 CG GLN A 31 1.078 7.178 6.727 1.00 0.00 C ATOM 496 CD GLN A 31 -0.109 7.303 5.783 1.00 0.00 C ATOM 497 OE1 GLN A 31 -1.124 7.895 6.100 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.024 6.780 4.582 1.00 0.00 N ATOM 0 H GLN A 31 -0.505 4.476 7.134 1.00 0.00 H new ATOM 0 HA GLN A 31 2.227 5.017 7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.370 6.508 8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.125 7.094 8.882 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.484 8.170 6.925 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.865 6.603 6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.820 6.281 4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.802 6.873 3.929 1.00 0.00 H new ATOM 507 N ASP A 32 0.321 4.031 10.243 1.00 0.00 N ATOM 508 CA ASP A 32 0.404 3.465 11.598 1.00 0.00 C ATOM 509 C ASP A 32 1.334 2.245 11.690 1.00 0.00 C ATOM 510 O ASP A 32 2.165 2.153 12.593 1.00 0.00 O ATOM 511 CB ASP A 32 -1.003 3.131 12.130 1.00 0.00 C ATOM 512 CG ASP A 32 -0.970 2.464 13.513 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.337 3.017 14.430 1.00 0.00 O ATOM 514 OD2 ASP A 32 -1.652 1.420 13.713 1.00 0.00 O ATOM 0 H ASP A 32 -0.590 3.913 9.800 1.00 0.00 H new ATOM 0 HA ASP A 32 0.851 4.232 12.231 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.592 4.046 12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.507 2.470 11.424 1.00 0.00 H new ATOM 519 N LYS A 33 1.199 1.293 10.754 1.00 0.00 N ATOM 520 CA LYS A 33 1.913 0.009 10.826 1.00 0.00 C ATOM 521 C LYS A 33 3.406 0.140 10.490 1.00 0.00 C ATOM 522 O LYS A 33 4.228 -0.437 11.201 1.00 0.00 O ATOM 523 CB LYS A 33 1.181 -1.030 9.945 1.00 0.00 C ATOM 524 CG LYS A 33 1.145 -2.439 10.568 1.00 0.00 C ATOM 525 CD LYS A 33 2.451 -3.236 10.429 1.00 0.00 C ATOM 526 CE LYS A 33 2.449 -4.533 11.252 1.00 0.00 C ATOM 527 NZ LYS A 33 2.586 -4.285 12.712 1.00 0.00 N ATOM 0 H LYS A 33 0.599 1.389 9.935 1.00 0.00 H new ATOM 0 HA LYS A 33 1.897 -0.344 11.857 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.160 -0.692 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.672 -1.082 8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.902 -2.347 11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.338 -3.006 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.613 -3.478 9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.287 -2.612 10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.523 -5.076 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.266 -5.172 10.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.630 -5.194 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.457 -3.746 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.767 -3.741 13.050 1.00 0.00 H new ATOM 541 N GLU A 34 3.748 0.877 9.427 1.00 0.00 N ATOM 542 CA GLU A 34 5.113 0.899 8.866 1.00 0.00 C ATOM 543 C GLU A 34 5.628 2.313 8.508 1.00 0.00 C ATOM 544 O GLU A 34 6.837 2.521 8.443 1.00 0.00 O ATOM 545 CB GLU A 34 5.126 -0.015 7.627 1.00 0.00 C ATOM 546 CG GLU A 34 6.522 -0.533 7.245 1.00 0.00 C ATOM 547 CD GLU A 34 7.019 -1.715 8.103 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.388 -2.043 9.134 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.056 -2.322 7.756 1.00 0.00 O ATOM 0 H GLU A 34 3.090 1.476 8.928 1.00 0.00 H new ATOM 0 HA GLU A 34 5.797 0.541 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.471 -0.867 7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.709 0.531 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.509 -0.839 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.236 0.286 7.329 1.00 0.00 H new ATOM 556 N GLY A 35 4.748 3.304 8.306 1.00 0.00 N ATOM 557 CA GLY A 35 5.154 4.705 8.122 1.00 0.00 C ATOM 558 C GLY A 35 5.479 5.121 6.680 1.00 0.00 C ATOM 559 O GLY A 35 6.478 5.800 6.460 1.00 0.00 O ATOM 0 H GLY A 35 3.739 3.158 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.356 5.347 8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.031 4.894 8.741 1.00 0.00 H new ATOM 563 N ILE A 36 4.650 4.737 5.700 1.00 0.00 N ATOM 564 CA ILE A 36 4.753 5.185 4.290 1.00 0.00 C ATOM 565 C ILE A 36 3.723 6.307 3.989 1.00 0.00 C ATOM 566 O ILE A 36 2.562 5.979 3.729 1.00 0.00 O ATOM 567 CB ILE A 36 4.603 3.958 3.349 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.748 2.944 3.610 1.00 0.00 C ATOM 569 CG2 ILE A 36 4.582 4.338 1.853 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.686 1.656 2.772 1.00 0.00 C ATOM 0 H ILE A 36 3.873 4.096 5.860 1.00 0.00 H new ATOM 0 HA ILE A 36 5.735 5.622 4.111 1.00 0.00 H new ATOM 0 HB ILE A 36 3.637 3.508 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.700 3.438 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.738 2.672 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 36 4.475 3.436 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.743 5.006 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.513 4.841 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.529 1.014 3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.754 1.131 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.731 1.909 1.713 1.00 0.00 H new ATOM 582 N PRO A 37 4.081 7.610 4.046 1.00 0.00 N ATOM 583 CA PRO A 37 3.152 8.727 3.808 1.00 0.00 C ATOM 584 C PRO A 37 3.018 9.140 2.317 1.00 0.00 C ATOM 585 O PRO A 37 3.962 8.968 1.532 1.00 0.00 O ATOM 586 CB PRO A 37 3.698 9.880 4.655 1.00 0.00 C ATOM 587 CG PRO A 37 5.205 9.653 4.604 1.00 0.00 C ATOM 588 CD PRO A 37 5.324 8.130 4.603 1.00 0.00 C ATOM 0 HA PRO A 37 2.139 8.435 4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.421 10.851 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.318 9.847 5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.649 10.093 3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.709 10.097 5.463 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.178 7.810 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.482 7.754 5.614 1.00 0.00 H new ATOM 596 N PRO A 38 1.883 9.763 1.921 1.00 0.00 N ATOM 597 CA PRO A 38 1.555 10.105 0.523 1.00 0.00 C ATOM 598 C PRO A 38 2.377 11.264 -0.072 1.00 0.00 C ATOM 599 O PRO A 38 2.629 11.301 -1.279 1.00 0.00 O ATOM 600 CB PRO A 38 0.062 10.461 0.535 1.00 0.00 C ATOM 601 CG PRO A 38 -0.162 11.002 1.946 1.00 0.00 C ATOM 602 CD PRO A 38 0.759 10.115 2.783 1.00 0.00 C ATOM 0 HA PRO A 38 1.799 9.257 -0.117 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.180 11.205 -0.224 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.561 9.589 0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.106 12.056 2.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.203 10.914 2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.102 10.642 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.235 9.222 3.123 1.00 0.00 H new ATOM 610 N ASP A 39 2.856 12.203 0.753 1.00 0.00 N ATOM 611 CA ASP A 39 3.775 13.272 0.321 1.00 0.00 C ATOM 612 C ASP A 39 5.228 12.849 0.038 1.00 0.00 C ATOM 613 O ASP A 39 6.076 13.670 -0.299 1.00 0.00 O ATOM 614 CB ASP A 39 3.575 14.596 1.090 1.00 0.00 C ATOM 615 CG ASP A 39 2.408 15.458 0.561 1.00 0.00 C ATOM 616 OD1 ASP A 39 1.432 14.910 -0.001 1.00 0.00 O ATOM 617 OD2 ASP A 39 2.521 16.698 0.670 1.00 0.00 O ATOM 0 H ASP A 39 2.618 12.246 1.744 1.00 0.00 H new ATOM 0 HA ASP A 39 3.456 13.510 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.399 14.371 2.142 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.496 15.177 1.038 1.00 0.00 H new ATOM 622 N GLN A 40 5.514 11.545 0.120 1.00 0.00 N ATOM 623 CA GLN A 40 6.859 10.977 -0.002 1.00 0.00 C ATOM 624 C GLN A 40 6.892 9.753 -0.941 1.00 0.00 C ATOM 625 O GLN A 40 7.807 9.628 -1.753 1.00 0.00 O ATOM 626 CB GLN A 40 7.323 10.688 1.431 1.00 0.00 C ATOM 627 CG GLN A 40 8.832 10.443 1.575 1.00 0.00 C ATOM 628 CD GLN A 40 9.148 9.023 2.020 1.00 0.00 C ATOM 629 OE1 GLN A 40 8.454 8.415 2.820 1.00 0.00 O ATOM 630 NE2 GLN A 40 10.179 8.427 1.479 1.00 0.00 N ATOM 0 H GLN A 40 4.796 10.837 0.277 1.00 0.00 H new ATOM 0 HA GLN A 40 7.552 11.670 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.042 11.528 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.789 9.814 1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.322 10.640 0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.245 11.148 2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.764 8.927 0.810 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.398 7.462 1.726 1.00 0.00 H new ATOM 639 N ASN A 41 5.871 8.892 -0.930 1.00 0.00 N ATOM 640 CA ASN A 41 5.793 7.659 -1.731 1.00 0.00 C ATOM 641 C ASN A 41 4.316 7.225 -1.960 1.00 0.00 C ATOM 642 O ASN A 41 3.419 7.764 -1.314 1.00 0.00 O ATOM 643 CB ASN A 41 6.674 6.537 -1.118 1.00 0.00 C ATOM 644 CG ASN A 41 7.188 6.621 0.310 1.00 0.00 C ATOM 645 OD1 ASN A 41 8.307 6.212 0.561 1.00 0.00 O ATOM 646 ND2 ASN A 41 6.464 7.130 1.279 1.00 0.00 N ATOM 0 H ASN A 41 5.047 9.035 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 41 6.203 7.864 -2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.106 5.610 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.546 6.431 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.841 7.179 2.226 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.525 7.477 1.085 1.00 0.00 H new ATOM 653 N ARG A 42 4.030 6.288 -2.882 1.00 0.00 N ATOM 654 CA ARG A 42 2.673 5.968 -3.377 1.00 0.00 C ATOM 655 C ARG A 42 2.534 4.522 -3.873 1.00 0.00 C ATOM 656 O ARG A 42 3.411 4.000 -4.558 1.00 0.00 O ATOM 657 CB ARG A 42 2.252 6.973 -4.468 1.00 0.00 C ATOM 658 CG ARG A 42 3.284 7.153 -5.597 1.00 0.00 C ATOM 659 CD ARG A 42 2.784 8.160 -6.636 1.00 0.00 C ATOM 660 NE ARG A 42 3.875 8.659 -7.496 1.00 0.00 N ATOM 661 CZ ARG A 42 3.703 9.412 -8.572 1.00 0.00 C ATOM 662 NH1 ARG A 42 2.543 9.563 -9.147 1.00 0.00 N ATOM 663 NH2 ARG A 42 4.693 10.065 -9.105 1.00 0.00 N ATOM 0 H ARG A 42 4.754 5.716 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 42 1.997 6.058 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.308 6.644 -4.903 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.068 7.941 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.231 7.495 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.476 6.193 -6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.020 7.691 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.311 9.000 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 42 4.830 8.406 -7.243 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.721 9.091 -8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.457 10.153 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.625 10.003 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.538 10.639 -9.934 1.00 0.00 H new ATOM 677 N LEU A 43 1.425 3.879 -3.510 1.00 0.00 N ATOM 678 CA LEU A 43 1.167 2.450 -3.744 1.00 0.00 C ATOM 679 C LEU A 43 0.782 2.174 -5.206 1.00 0.00 C ATOM 680 O LEU A 43 -0.180 2.759 -5.710 1.00 0.00 O ATOM 681 CB LEU A 43 0.029 1.964 -2.817 1.00 0.00 C ATOM 682 CG LEU A 43 0.351 1.764 -1.323 1.00 0.00 C ATOM 683 CD1 LEU A 43 1.407 0.681 -1.111 1.00 0.00 C ATOM 684 CD2 LEU A 43 0.793 3.042 -0.605 1.00 0.00 C ATOM 0 H LEU A 43 0.656 4.347 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 43 2.087 1.908 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.790 2.680 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.340 1.016 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.594 1.451 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.606 0.571 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.044 -0.265 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.326 0.964 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.001 2.818 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.694 3.432 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.001 3.787 -0.666 1.00 0.00 H new ATOM 696 N ILE A 44 1.495 1.248 -5.853 1.00 0.00 N ATOM 697 CA ILE A 44 1.146 0.753 -7.208 1.00 0.00 C ATOM 698 C ILE A 44 0.561 -0.672 -7.188 1.00 0.00 C ATOM 699 O ILE A 44 1.027 -1.531 -6.443 1.00 0.00 O ATOM 700 CB ILE A 44 2.378 0.841 -8.140 1.00 0.00 C ATOM 701 CG1 ILE A 44 2.959 2.265 -8.213 1.00 0.00 C ATOM 702 CG2 ILE A 44 2.098 0.327 -9.565 1.00 0.00 C ATOM 703 CD1 ILE A 44 2.009 3.368 -8.700 1.00 0.00 C ATOM 0 H ILE A 44 2.331 0.814 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 44 0.359 1.398 -7.599 1.00 0.00 H new ATOM 0 HB ILE A 44 3.118 0.183 -7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.319 2.538 -7.221 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.827 2.246 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.002 0.416 -10.168 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.792 -0.718 -9.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.302 0.919 -10.015 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.534 4.323 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.667 3.134 -9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.151 3.431 -8.031 1.00 0.00 H new ATOM 715 N PHE A 45 -0.392 -0.975 -8.078 1.00 0.00 N ATOM 716 CA PHE A 45 -0.810 -2.356 -8.371 1.00 0.00 C ATOM 717 C PHE A 45 -1.054 -2.631 -9.867 1.00 0.00 C ATOM 718 O PHE A 45 -1.794 -1.897 -10.517 1.00 0.00 O ATOM 719 CB PHE A 45 -1.947 -2.782 -7.433 1.00 0.00 C ATOM 720 CG PHE A 45 -2.565 -4.138 -7.716 1.00 0.00 C ATOM 721 CD1 PHE A 45 -1.889 -5.302 -7.300 1.00 0.00 C ATOM 722 CD2 PHE A 45 -3.828 -4.245 -8.331 1.00 0.00 C ATOM 723 CE1 PHE A 45 -2.472 -6.565 -7.496 1.00 0.00 C ATOM 724 CE2 PHE A 45 -4.415 -5.511 -8.516 1.00 0.00 C ATOM 725 CZ PHE A 45 -3.740 -6.672 -8.097 1.00 0.00 C ATOM 0 H PHE A 45 -0.897 -0.271 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 45 0.031 -3.014 -8.151 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.568 -2.783 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.733 -2.029 -7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.920 -5.223 -6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.346 -3.356 -8.660 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.946 -7.456 -7.185 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.386 -5.591 -8.981 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.193 -7.642 -8.236 1.00 0.00 H new ATOM 735 N ALA A 46 -0.366 -3.627 -10.444 1.00 0.00 N ATOM 736 CA ALA A 46 -0.357 -3.939 -11.889 1.00 0.00 C ATOM 737 C ALA A 46 -0.028 -2.748 -12.836 1.00 0.00 C ATOM 738 O ALA A 46 -0.341 -2.773 -14.027 1.00 0.00 O ATOM 739 CB ALA A 46 -1.657 -4.672 -12.252 1.00 0.00 C ATOM 0 H ALA A 46 0.221 -4.262 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 46 0.492 -4.600 -12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.658 -4.906 -13.317 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.726 -5.596 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.511 -4.035 -12.020 1.00 0.00 H new ATOM 745 N GLY A 47 0.594 -1.683 -12.314 1.00 0.00 N ATOM 746 CA GLY A 47 0.866 -0.423 -13.022 1.00 0.00 C ATOM 747 C GLY A 47 -0.226 0.651 -12.876 1.00 0.00 C ATOM 748 O GLY A 47 0.062 1.832 -13.098 1.00 0.00 O ATOM 0 H GLY A 47 0.934 -1.674 -11.352 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.808 -0.014 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.002 -0.640 -14.081 1.00 0.00 H new ATOM 752 N LYS A 48 -1.442 0.288 -12.437 1.00 0.00 N ATOM 753 CA LYS A 48 -2.447 1.249 -11.948 1.00 0.00 C ATOM 754 C LYS A 48 -2.036 1.843 -10.594 1.00 0.00 C ATOM 755 O LYS A 48 -1.363 1.197 -9.790 1.00 0.00 O ATOM 756 CB LYS A 48 -3.860 0.619 -11.874 1.00 0.00 C ATOM 757 CG LYS A 48 -4.586 0.553 -13.232 1.00 0.00 C ATOM 758 CD LYS A 48 -6.091 0.246 -13.069 1.00 0.00 C ATOM 759 CE LYS A 48 -6.810 0.276 -14.430 1.00 0.00 C ATOM 760 NZ LYS A 48 -8.292 0.300 -14.302 1.00 0.00 N ATOM 0 H LYS A 48 -1.758 -0.682 -12.411 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.492 2.062 -12.672 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.777 -0.389 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.468 1.195 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.464 1.502 -13.755 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.124 -0.215 -13.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.218 -0.733 -12.608 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.544 0.976 -12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.484 1.154 -14.988 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.515 -0.598 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.722 0.320 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.610 -0.550 -13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.581 1.147 -13.773 1.00 0.00 H new ATOM 774 N GLN A 49 -2.465 3.079 -10.342 1.00 0.00 N ATOM 775 CA GLN A 49 -2.374 3.737 -9.028 1.00 0.00 C ATOM 776 C GLN A 49 -3.743 3.592 -8.323 1.00 0.00 C ATOM 777 O GLN A 49 -4.766 3.402 -8.989 1.00 0.00 O ATOM 778 CB GLN A 49 -1.888 5.200 -9.185 1.00 0.00 C ATOM 779 CG GLN A 49 -0.716 5.319 -10.192 1.00 0.00 C ATOM 780 CD GLN A 49 0.346 6.395 -9.941 1.00 0.00 C ATOM 781 OE1 GLN A 49 0.311 7.219 -9.039 1.00 0.00 O ATOM 782 NE2 GLN A 49 1.371 6.408 -10.760 1.00 0.00 N ATOM 0 H GLN A 49 -2.895 3.667 -11.056 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.627 3.261 -8.393 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.717 5.823 -9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.572 5.583 -8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.210 4.354 -10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.142 5.495 -11.180 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.424 5.731 -11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.115 7.095 -10.636 1.00 0.00 H new ATOM 791 N LEU A 50 -3.766 3.618 -6.987 1.00 0.00 N ATOM 792 CA LEU A 50 -4.932 3.235 -6.178 1.00 0.00 C ATOM 793 C LEU A 50 -5.591 4.448 -5.506 1.00 0.00 C ATOM 794 O LEU A 50 -5.018 5.081 -4.616 1.00 0.00 O ATOM 795 CB LEU A 50 -4.530 2.149 -5.162 1.00 0.00 C ATOM 796 CG LEU A 50 -3.988 0.843 -5.777 1.00 0.00 C ATOM 797 CD1 LEU A 50 -3.661 -0.141 -4.655 1.00 0.00 C ATOM 798 CD2 LEU A 50 -5.000 0.169 -6.703 1.00 0.00 C ATOM 0 H LEU A 50 -2.965 3.910 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.689 2.816 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.772 2.560 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.398 1.910 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.105 1.106 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.277 -1.067 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.908 0.294 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.564 -0.353 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.568 -0.746 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.902 -0.074 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.252 0.845 -7.520 1.00 0.00 H new ATOM 810 N GLU A 51 -6.809 4.760 -5.934 1.00 0.00 N ATOM 811 CA GLU A 51 -7.510 6.002 -5.620 1.00 0.00 C ATOM 812 C GLU A 51 -8.605 5.801 -4.562 1.00 0.00 C ATOM 813 O GLU A 51 -9.317 4.795 -4.519 1.00 0.00 O ATOM 814 CB GLU A 51 -8.030 6.590 -6.938 1.00 0.00 C ATOM 815 CG GLU A 51 -8.444 8.069 -6.838 1.00 0.00 C ATOM 816 CD GLU A 51 -8.872 8.677 -8.187 1.00 0.00 C ATOM 817 OE1 GLU A 51 -9.217 7.933 -9.137 1.00 0.00 O ATOM 818 OE2 GLU A 51 -8.837 9.921 -8.325 1.00 0.00 O ATOM 0 H GLU A 51 -7.354 4.136 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.827 6.716 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.257 6.490 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.886 6.005 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.267 8.161 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.611 8.645 -6.436 1.00 0.00 H new ATOM 825 N ASP A 52 -8.711 6.767 -3.656 1.00 0.00 N ATOM 826 CA ASP A 52 -9.735 6.805 -2.618 1.00 0.00 C ATOM 827 C ASP A 52 -11.192 6.924 -3.135 1.00 0.00 C ATOM 828 O ASP A 52 -11.505 7.791 -3.946 1.00 0.00 O ATOM 829 CB ASP A 52 -9.388 7.800 -1.486 1.00 0.00 C ATOM 830 CG ASP A 52 -8.543 9.034 -1.856 1.00 0.00 C ATOM 831 OD1 ASP A 52 -7.434 8.844 -2.412 1.00 0.00 O ATOM 832 OD2 ASP A 52 -8.928 10.174 -1.515 1.00 0.00 O ATOM 0 H ASP A 52 -8.074 7.563 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.716 5.812 -2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.323 8.151 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.859 7.251 -0.707 1.00 0.00 H new ATOM 837 N GLY A 53 -12.087 6.032 -2.680 1.00 0.00 N ATOM 838 CA GLY A 53 -13.475 5.905 -3.166 1.00 0.00 C ATOM 839 C GLY A 53 -13.871 4.492 -3.627 1.00 0.00 C ATOM 840 O GLY A 53 -15.028 4.265 -3.979 1.00 0.00 O ATOM 0 H GLY A 53 -11.862 5.361 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.153 6.216 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.619 6.596 -3.996 1.00 0.00 H new ATOM 844 N ARG A 54 -12.945 3.522 -3.612 1.00 0.00 N ATOM 845 CA ARG A 54 -13.182 2.106 -3.959 1.00 0.00 C ATOM 846 C ARG A 54 -12.754 1.152 -2.836 1.00 0.00 C ATOM 847 O ARG A 54 -12.020 1.560 -1.933 1.00 0.00 O ATOM 848 CB ARG A 54 -12.455 1.789 -5.285 1.00 0.00 C ATOM 849 CG ARG A 54 -12.885 2.664 -6.479 1.00 0.00 C ATOM 850 CD ARG A 54 -14.342 2.417 -6.897 1.00 0.00 C ATOM 851 NE ARG A 54 -14.844 3.461 -7.820 1.00 0.00 N ATOM 852 CZ ARG A 54 -15.856 4.288 -7.591 1.00 0.00 C ATOM 853 NH1 ARG A 54 -16.418 4.400 -6.426 1.00 0.00 N ATOM 854 NH2 ARG A 54 -16.341 5.038 -8.540 1.00 0.00 N ATOM 0 H ARG A 54 -11.976 3.704 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.253 1.951 -4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.382 1.907 -5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.628 0.743 -5.538 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.759 3.715 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.229 2.464 -7.326 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.420 1.442 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.973 2.386 -6.009 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.366 3.553 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.084 3.839 -5.642 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.194 5.049 -6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.942 4.995 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.119 5.668 -8.345 1.00 0.00 H new ATOM 868 N THR A 55 -13.205 -0.100 -2.882 1.00 0.00 N ATOM 869 CA THR A 55 -12.661 -1.224 -2.089 1.00 0.00 C ATOM 870 C THR A 55 -11.383 -1.866 -2.643 1.00 0.00 C ATOM 871 O THR A 55 -11.002 -1.630 -3.791 1.00 0.00 O ATOM 872 CB THR A 55 -13.714 -2.278 -1.677 1.00 0.00 C ATOM 873 OG1 THR A 55 -13.794 -3.306 -2.633 1.00 0.00 O ATOM 874 CG2 THR A 55 -15.124 -1.753 -1.419 1.00 0.00 C ATOM 0 H THR A 55 -13.979 -0.378 -3.485 1.00 0.00 H new ATOM 0 HA THR A 55 -12.347 -0.728 -1.171 1.00 0.00 H new ATOM 0 HB THR A 55 -13.345 -2.641 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.623 -3.210 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.775 -2.581 -1.138 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.098 -1.021 -0.611 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.508 -1.281 -2.324 1.00 0.00 H new ATOM 882 N LEU A 56 -10.723 -2.707 -1.843 1.00 0.00 N ATOM 883 CA LEU A 56 -9.670 -3.619 -2.312 1.00 0.00 C ATOM 884 C LEU A 56 -10.196 -4.599 -3.371 1.00 0.00 C ATOM 885 O LEU A 56 -9.616 -4.716 -4.453 1.00 0.00 O ATOM 886 CB LEU A 56 -9.156 -4.413 -1.103 1.00 0.00 C ATOM 887 CG LEU A 56 -8.247 -3.587 -0.181 1.00 0.00 C ATOM 888 CD1 LEU A 56 -8.089 -4.296 1.157 1.00 0.00 C ATOM 889 CD2 LEU A 56 -6.857 -3.416 -0.804 1.00 0.00 C ATOM 0 H LEU A 56 -10.904 -2.777 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.875 -3.031 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.007 -4.781 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.608 -5.286 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.706 -2.609 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.443 -3.706 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.067 -4.412 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.644 -5.278 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.228 -2.828 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.405 -4.396 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.948 -2.903 -1.761 1.00 0.00 H new ATOM 901 N SER A 57 -11.317 -5.271 -3.080 1.00 0.00 N ATOM 902 CA SER A 57 -11.942 -6.206 -4.021 1.00 0.00 C ATOM 903 C SER A 57 -12.414 -5.510 -5.303 1.00 0.00 C ATOM 904 O SER A 57 -12.443 -6.151 -6.351 1.00 0.00 O ATOM 905 CB SER A 57 -13.120 -6.926 -3.358 1.00 0.00 C ATOM 906 OG SER A 57 -13.624 -7.941 -4.207 1.00 0.00 O ATOM 0 H SER A 57 -11.812 -5.182 -2.193 1.00 0.00 H new ATOM 0 HA SER A 57 -11.180 -6.934 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.801 -7.361 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.909 -6.210 -3.130 1.00 0.00 H new ATOM 0 HG SER A 57 -14.375 -8.392 -3.768 1.00 0.00 H new ATOM 912 N ASP A 58 -12.741 -4.213 -5.258 1.00 0.00 N ATOM 913 CA ASP A 58 -13.143 -3.436 -6.439 1.00 0.00 C ATOM 914 C ASP A 58 -11.998 -3.280 -7.457 1.00 0.00 C ATOM 915 O ASP A 58 -12.221 -3.315 -8.667 1.00 0.00 O ATOM 916 CB ASP A 58 -13.610 -2.028 -6.044 1.00 0.00 C ATOM 917 CG ASP A 58 -14.853 -1.890 -5.163 1.00 0.00 C ATOM 918 OD1 ASP A 58 -15.450 -2.902 -4.723 1.00 0.00 O ATOM 919 OD2 ASP A 58 -15.156 -0.718 -4.848 1.00 0.00 O ATOM 0 H ASP A 58 -12.734 -3.668 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.958 -3.996 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.784 -1.537 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.791 -1.469 -6.962 1.00 0.00 H new ATOM 924 N TYR A 59 -10.762 -3.131 -6.963 1.00 0.00 N ATOM 925 CA TYR A 59 -9.527 -3.190 -7.749 1.00 0.00 C ATOM 926 C TYR A 59 -9.053 -4.586 -8.198 1.00 0.00 C ATOM 927 O TYR A 59 -7.987 -4.712 -8.802 1.00 0.00 O ATOM 928 CB TYR A 59 -8.421 -2.334 -7.104 1.00 0.00 C ATOM 929 CG TYR A 59 -8.427 -0.857 -7.454 1.00 0.00 C ATOM 930 CD1 TYR A 59 -7.785 -0.433 -8.634 1.00 0.00 C ATOM 931 CD2 TYR A 59 -8.966 0.097 -6.566 1.00 0.00 C ATOM 932 CE1 TYR A 59 -7.639 0.941 -8.913 1.00 0.00 C ATOM 933 CE2 TYR A 59 -8.823 1.473 -6.843 1.00 0.00 C ATOM 934 CZ TYR A 59 -8.144 1.895 -8.006 1.00 0.00 C ATOM 935 OH TYR A 59 -7.929 3.217 -8.225 1.00 0.00 O ATOM 0 H TYR A 59 -10.591 -2.960 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.791 -2.743 -8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.501 -2.430 -6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.455 -2.750 -7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.402 -1.165 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.487 -0.225 -5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.143 1.261 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.234 2.205 -6.164 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.993 3.359 -8.478 1.00 0.00 H new ATOM 945 N ASN A 60 -9.829 -5.633 -7.889 1.00 0.00 N ATOM 946 CA ASN A 60 -9.438 -7.040 -8.001 1.00 0.00 C ATOM 947 C ASN A 60 -8.146 -7.361 -7.213 1.00 0.00 C ATOM 948 O ASN A 60 -7.248 -8.022 -7.736 1.00 0.00 O ATOM 949 CB ASN A 60 -9.429 -7.497 -9.479 1.00 0.00 C ATOM 950 CG ASN A 60 -10.778 -7.372 -10.172 1.00 0.00 C ATOM 951 OD1 ASN A 60 -11.836 -7.551 -9.589 1.00 0.00 O ATOM 952 ND2 ASN A 60 -10.785 -7.131 -11.464 1.00 0.00 N ATOM 0 H ASN A 60 -10.781 -5.517 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.199 -7.647 -7.511 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.694 -6.907 -10.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.103 -8.536 -9.526 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.669 -7.095 -11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.906 -6.980 -11.959 1.00 0.00 H new ATOM 959 N ILE A 61 -8.047 -6.872 -5.966 1.00 0.00 N ATOM 960 CA ILE A 61 -6.960 -7.175 -5.018 1.00 0.00 C ATOM 961 C ILE A 61 -7.434 -8.237 -4.012 1.00 0.00 C ATOM 962 O ILE A 61 -8.288 -7.965 -3.170 1.00 0.00 O ATOM 963 CB ILE A 61 -6.462 -5.898 -4.288 1.00 0.00 C ATOM 964 CG1 ILE A 61 -6.192 -4.735 -5.274 1.00 0.00 C ATOM 965 CG2 ILE A 61 -5.209 -6.228 -3.453 1.00 0.00 C ATOM 966 CD1 ILE A 61 -5.745 -3.417 -4.629 1.00 0.00 C ATOM 0 H ILE A 61 -8.742 -6.235 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.113 -7.569 -5.580 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.252 -5.560 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.426 -5.052 -5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.100 -4.550 -5.848 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.864 -5.328 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.454 -6.992 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.421 -6.598 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.583 -2.669 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.517 -3.067 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.817 -3.577 -4.080 1.00 0.00 H new ATOM 978 N GLN A 62 -6.880 -9.447 -4.099 1.00 0.00 N ATOM 979 CA GLN A 62 -7.215 -10.596 -3.246 1.00 0.00 C ATOM 980 C GLN A 62 -6.312 -10.694 -1.996 1.00 0.00 C ATOM 981 O GLN A 62 -5.332 -9.960 -1.839 1.00 0.00 O ATOM 982 CB GLN A 62 -7.142 -11.907 -4.066 1.00 0.00 C ATOM 983 CG GLN A 62 -7.968 -11.926 -5.370 1.00 0.00 C ATOM 984 CD GLN A 62 -7.339 -11.135 -6.518 1.00 0.00 C ATOM 985 OE1 GLN A 62 -6.172 -10.769 -6.497 1.00 0.00 O ATOM 986 NE2 GLN A 62 -8.088 -10.798 -7.540 1.00 0.00 N ATOM 0 H GLN A 62 -6.160 -9.665 -4.788 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.234 -10.444 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.099 -12.101 -4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.477 -12.729 -3.433 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.104 -12.960 -5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.960 -11.523 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.064 -11.093 -7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.695 -10.241 -8.298 1.00 0.00 H new ATOM 995 N LYS A 63 -6.617 -11.657 -1.117 1.00 0.00 N ATOM 996 CA LYS A 63 -5.760 -12.068 0.011 1.00 0.00 C ATOM 997 C LYS A 63 -4.382 -12.563 -0.471 1.00 0.00 C ATOM 998 O LYS A 63 -4.252 -13.099 -1.569 1.00 0.00 O ATOM 999 CB LYS A 63 -6.515 -13.089 0.895 1.00 0.00 C ATOM 1000 CG LYS A 63 -6.861 -14.405 0.162 1.00 0.00 C ATOM 1001 CD LYS A 63 -7.747 -15.361 0.981 1.00 0.00 C ATOM 1002 CE LYS A 63 -7.133 -15.874 2.292 1.00 0.00 C ATOM 1003 NZ LYS A 63 -5.922 -16.698 2.080 1.00 0.00 N ATOM 0 H LYS A 63 -7.487 -12.187 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.544 -11.201 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.907 -13.319 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.436 -12.632 1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.368 -14.166 -0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.935 -14.918 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.682 -14.852 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.998 -16.219 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.881 -15.024 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.877 -16.463 2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.505 -16.945 3.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.179 -17.568 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.230 -16.161 1.519 1.00 0.00 H new ATOM 1017 N GLU A 64 -3.352 -12.278 0.326 1.00 0.00 N ATOM 1018 CA GLU A 64 -1.919 -12.473 0.041 1.00 0.00 C ATOM 1019 C GLU A 64 -1.351 -11.741 -1.199 1.00 0.00 C ATOM 1020 O GLU A 64 -0.200 -11.979 -1.581 1.00 0.00 O ATOM 1021 CB GLU A 64 -1.508 -13.963 0.107 1.00 0.00 C ATOM 1022 CG GLU A 64 -1.535 -14.554 1.530 1.00 0.00 C ATOM 1023 CD GLU A 64 -2.827 -15.279 1.929 1.00 0.00 C ATOM 1024 OE1 GLU A 64 -3.844 -15.239 1.209 1.00 0.00 O ATOM 1025 OE2 GLU A 64 -2.824 -15.910 3.014 1.00 0.00 O ATOM 0 H GLU A 64 -3.500 -11.877 1.252 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.426 -11.953 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.176 -14.543 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.504 -14.072 -0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.704 -15.252 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.359 -13.747 2.241 1.00 0.00 H new ATOM 1032 N SER A 65 -2.115 -10.826 -1.810 1.00 0.00 N ATOM 1033 CA SER A 65 -1.693 -10.081 -3.004 1.00 0.00 C ATOM 1034 C SER A 65 -0.505 -9.135 -2.756 1.00 0.00 C ATOM 1035 O SER A 65 -0.407 -8.491 -1.706 1.00 0.00 O ATOM 1036 CB SER A 65 -2.883 -9.328 -3.605 1.00 0.00 C ATOM 1037 OG SER A 65 -2.511 -8.697 -4.816 1.00 0.00 O ATOM 0 H SER A 65 -3.051 -10.580 -1.487 1.00 0.00 H new ATOM 0 HA SER A 65 -1.333 -10.820 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.705 -10.021 -3.787 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.245 -8.583 -2.896 1.00 0.00 H new ATOM 0 HG SER A 65 -3.283 -8.222 -5.188 1.00 0.00 H new ATOM 1043 N THR A 66 0.381 -9.037 -3.757 1.00 0.00 N ATOM 1044 CA THR A 66 1.563 -8.159 -3.785 1.00 0.00 C ATOM 1045 C THR A 66 1.359 -6.802 -4.457 1.00 0.00 C ATOM 1046 O THR A 66 1.440 -6.684 -5.682 1.00 0.00 O ATOM 1047 CB THR A 66 2.833 -8.854 -4.328 1.00 0.00 C ATOM 1048 OG1 THR A 66 2.915 -10.230 -4.003 1.00 0.00 O ATOM 1049 CG2 THR A 66 4.114 -8.193 -3.823 1.00 0.00 C ATOM 0 H THR A 66 0.291 -9.592 -4.608 1.00 0.00 H new ATOM 0 HA THR A 66 1.720 -7.943 -2.728 1.00 0.00 H new ATOM 0 HB THR A 66 2.744 -8.748 -5.409 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.739 -10.606 -4.378 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.979 -8.716 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.136 -7.151 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.143 -8.239 -2.734 1.00 0.00 H new ATOM 1057 N LEU A 67 1.171 -5.748 -3.664 1.00 0.00 N ATOM 1058 CA LEU A 67 1.296 -4.368 -4.135 1.00 0.00 C ATOM 1059 C LEU A 67 2.771 -4.010 -4.351 1.00 0.00 C ATOM 1060 O LEU A 67 3.657 -4.475 -3.637 1.00 0.00 O ATOM 1061 CB LEU A 67 0.641 -3.394 -3.142 1.00 0.00 C ATOM 1062 CG LEU A 67 -0.884 -3.581 -3.026 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -1.294 -4.441 -1.831 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -1.555 -2.216 -2.860 1.00 0.00 C ATOM 0 H LEU A 67 0.928 -5.826 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 67 0.776 -4.280 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.093 -3.528 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.853 -2.371 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.201 -4.086 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.380 -4.534 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.847 -5.431 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.948 -3.972 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.634 -2.348 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.179 -1.733 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.331 -1.593 -3.726 1.00 0.00 H new ATOM 1076 N HIS A 68 3.042 -3.136 -5.309 1.00 0.00 N ATOM 1077 CA HIS A 68 4.305 -2.427 -5.427 1.00 0.00 C ATOM 1078 C HIS A 68 4.199 -1.077 -4.806 1.00 0.00 C ATOM 1079 O HIS A 68 3.135 -0.548 -4.482 1.00 0.00 O ATOM 1080 CB HIS A 68 4.777 -2.339 -6.884 1.00 0.00 C ATOM 1081 CG HIS A 68 5.237 -3.657 -7.448 1.00 0.00 C ATOM 1082 ND1 HIS A 68 4.540 -4.842 -7.503 1.00 0.00 N ATOM 1083 CD2 HIS A 68 6.454 -3.901 -8.031 1.00 0.00 C ATOM 1084 CE1 HIS A 68 5.329 -5.767 -8.068 1.00 0.00 C ATOM 1085 NE2 HIS A 68 6.519 -5.240 -8.405 1.00 0.00 N ATOM 0 H HIS A 68 2.374 -2.896 -6.042 1.00 0.00 H new ATOM 0 HA HIS A 68 5.062 -2.996 -4.887 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.963 -1.954 -7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.594 -1.620 -6.950 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.237 -3.171 -8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.047 -6.797 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.305 -5.721 -8.843 1.00 0.00 H new ATOM 1093 N LEU A 69 5.380 -0.523 -4.663 1.00 0.00 N ATOM 1094 CA LEU A 69 5.528 0.829 -4.313 1.00 0.00 C ATOM 1095 C LEU A 69 6.248 1.660 -5.369 1.00 0.00 C ATOM 1096 O LEU A 69 7.109 1.157 -6.088 1.00 0.00 O ATOM 1097 CB LEU A 69 6.303 0.932 -3.016 1.00 0.00 C ATOM 1098 CG LEU A 69 6.483 2.264 -2.275 1.00 0.00 C ATOM 1099 CD1 LEU A 69 5.133 2.775 -1.800 1.00 0.00 C ATOM 1100 CD2 LEU A 69 7.398 2.074 -1.065 1.00 0.00 C ATOM 0 H LEU A 69 6.260 -1.022 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 69 4.519 1.230 -4.215 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.832 0.244 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.303 0.547 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 69 6.931 2.985 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.266 3.721 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.479 2.926 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.685 2.045 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.519 3.025 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.957 1.345 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.372 1.716 -1.398 1.00 0.00 H new ATOM 1112 N VAL A 70 6.006 2.971 -5.316 1.00 0.00 N ATOM 1113 CA VAL A 70 7.032 3.967 -5.624 1.00 0.00 C ATOM 1114 C VAL A 70 7.225 5.058 -4.609 1.00 0.00 C ATOM 1115 O VAL A 70 6.375 5.302 -3.772 1.00 0.00 O ATOM 1116 CB VAL A 70 6.845 4.694 -6.987 1.00 0.00 C ATOM 1117 CG1 VAL A 70 8.105 5.379 -7.575 1.00 0.00 C ATOM 1118 CG2 VAL A 70 6.322 3.750 -8.074 1.00 0.00 C ATOM 0 H VAL A 70 5.102 3.369 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 70 7.908 3.319 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 70 6.127 5.472 -6.728 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.853 5.852 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.467 6.135 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.883 4.633 -7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.206 4.299 -9.008 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.030 2.934 -8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.357 3.344 -7.770 1.00 0.00 H new ATOM 1128 N LEU A 71 8.293 5.812 -4.797 1.00 0.00 N ATOM 1129 CA LEU A 71 8.288 7.241 -4.576 1.00 0.00 C ATOM 1130 C LEU A 71 7.194 8.120 -5.182 1.00 0.00 C ATOM 1131 O LEU A 71 6.499 7.818 -6.152 1.00 0.00 O ATOM 1132 CB LEU A 71 9.618 7.859 -5.025 1.00 0.00 C ATOM 1133 CG LEU A 71 10.616 8.448 -3.998 1.00 0.00 C ATOM 1134 CD1 LEU A 71 10.458 9.958 -3.831 1.00 0.00 C ATOM 1135 CD2 LEU A 71 10.625 7.769 -2.628 1.00 0.00 C ATOM 0 H LEU A 71 9.192 5.445 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 71 8.091 7.254 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.153 7.091 -5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.377 8.656 -5.728 1.00 0.00 H new ATOM 0 HG LEU A 71 11.587 8.233 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.181 10.321 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.631 10.450 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.449 10.182 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.357 8.257 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.636 7.848 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.888 6.718 -2.745 1.00 0.00 H new