USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 70 THR OG1 : rot 180:sc= -0.464 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 147:sc= -0.196 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.129 (180deg=-0.971) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -110:sc= -0.031 (180deg=-0.584) USER MOD Single : A 12 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.1!) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.238 (180deg=-1.11) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0405 USER MOD Single : A 20 SER OG : rot 176:sc= -0.438 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -150:sc= -0.316 (180deg=-1.46!) USER MOD Single : A 30 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.0078) USER MOD Single : A 33 GLN : amide:sc= 0.0327 X(o=0.033,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.525 X(o=-0.53,f=-1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -161:sc= -1.25 (180deg=-2.06!) USER MOD Single : A 48 TYR OH : rot 120:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -3.45! C(o=-3.5!,f=-20!) USER MOD Single : A 51 ASN : amide:sc= -1.39! C(o=-1.4!,f=-5.3!) USER MOD Single : A 52 SER OG : rot -170:sc=-0.00227 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -7.78! K(o=-7.8!,f=-4.1) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.559 -6.085 8.399 1.00 0.00 N ATOM 2 CA MET A 1 9.549 -4.642 8.031 1.00 0.00 C ATOM 3 C MET A 1 8.105 -4.172 7.840 1.00 0.00 C ATOM 4 O MET A 1 7.328 -4.790 7.139 1.00 0.00 O ATOM 5 CB MET A 1 10.326 -4.442 6.728 1.00 0.00 C ATOM 6 CG MET A 1 11.782 -4.864 6.932 1.00 0.00 C ATOM 7 SD MET A 1 12.636 -4.883 5.336 1.00 0.00 S ATOM 8 CE MET A 1 12.454 -3.123 4.960 1.00 0.00 C ATOM 0 H1 MET A 1 10.421 -6.299 8.940 1.00 0.00 H new ATOM 0 H2 MET A 1 8.723 -6.301 8.979 1.00 0.00 H new ATOM 0 H3 MET A 1 9.540 -6.664 7.535 1.00 0.00 H new ATOM 0 HA MET A 1 10.017 -4.062 8.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.874 -5.030 5.929 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.279 -3.397 6.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.279 -4.174 7.614 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.824 -5.852 7.391 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.323 -2.779 4.400 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.554 -2.969 4.364 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.375 -2.559 5.889 1.00 0.00 H new ATOM 20 N GLU A 2 7.738 -3.081 8.459 1.00 0.00 N ATOM 21 CA GLU A 2 6.344 -2.567 8.316 1.00 0.00 C ATOM 22 C GLU A 2 6.272 -1.621 7.115 1.00 0.00 C ATOM 23 O GLU A 2 7.007 -0.658 7.028 1.00 0.00 O ATOM 24 CB GLU A 2 5.952 -1.808 9.586 1.00 0.00 C ATOM 25 CG GLU A 2 5.823 -2.792 10.751 1.00 0.00 C ATOM 26 CD GLU A 2 7.207 -3.321 11.130 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.992 -2.547 11.652 1.00 0.00 O ATOM 28 OE2 GLU A 2 7.457 -4.491 10.895 1.00 0.00 O ATOM 0 H GLU A 2 8.345 -2.522 9.059 1.00 0.00 H new ATOM 0 HA GLU A 2 5.660 -3.402 8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.702 -1.052 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.008 -1.284 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.364 -2.299 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.170 -3.619 10.471 1.00 0.00 H new ATOM 35 N LEU A 3 5.392 -1.886 6.186 1.00 0.00 N ATOM 36 CA LEU A 3 5.276 -0.999 4.992 1.00 0.00 C ATOM 37 C LEU A 3 3.894 -1.173 4.359 1.00 0.00 C ATOM 38 O LEU A 3 3.651 -2.111 3.626 1.00 0.00 O ATOM 39 CB LEU A 3 6.360 -1.375 3.969 1.00 0.00 C ATOM 40 CG LEU A 3 6.333 -0.405 2.768 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.039 0.909 3.123 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.049 -1.048 1.576 1.00 0.00 C ATOM 0 H LEU A 3 4.749 -2.678 6.202 1.00 0.00 H new ATOM 0 HA LEU A 3 5.407 0.040 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.341 -1.348 4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.202 -2.396 3.622 1.00 0.00 H new ATOM 0 HG LEU A 3 5.294 -0.195 2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.010 1.581 2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.533 1.377 3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.076 0.704 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.030 -0.364 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.083 -1.263 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.544 -1.975 1.305 1.00 0.00 H new ATOM 54 N TRP A 4 2.992 -0.264 4.621 1.00 0.00 N ATOM 55 CA TRP A 4 1.626 -0.354 4.021 1.00 0.00 C ATOM 56 C TRP A 4 1.556 0.588 2.818 1.00 0.00 C ATOM 57 O TRP A 4 2.460 1.367 2.582 1.00 0.00 O ATOM 58 CB TRP A 4 0.582 0.060 5.056 1.00 0.00 C ATOM 59 CG TRP A 4 0.620 -0.892 6.209 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.641 -0.999 7.091 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.382 -1.870 6.619 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.333 -1.979 8.019 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.099 -2.546 7.773 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.651 -2.236 6.108 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.652 -3.550 8.401 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.409 -3.246 6.739 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.909 -3.901 7.883 1.00 0.00 C ATOM 0 H TRP A 4 3.143 0.542 5.228 1.00 0.00 H new ATOM 0 HA TRP A 4 1.426 -1.378 3.705 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.779 1.075 5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.411 0.064 4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.549 -0.414 7.074 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.943 -2.249 8.790 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -2.041 -1.740 5.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.266 -4.050 9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.376 -3.518 6.344 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.493 -4.673 8.361 1.00 0.00 H new ATOM 78 N VAL A 5 0.500 0.523 2.049 1.00 0.00 N ATOM 79 CA VAL A 5 0.380 1.414 0.853 1.00 0.00 C ATOM 80 C VAL A 5 -1.065 1.905 0.715 1.00 0.00 C ATOM 81 O VAL A 5 -1.991 1.279 1.189 1.00 0.00 O ATOM 82 CB VAL A 5 0.781 0.626 -0.393 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.941 1.585 -1.572 1.00 0.00 C ATOM 84 CG2 VAL A 5 2.109 -0.088 -0.130 1.00 0.00 C ATOM 0 H VAL A 5 -0.287 -0.109 2.197 1.00 0.00 H new ATOM 0 HA VAL A 5 1.035 2.277 0.969 1.00 0.00 H new ATOM 0 HB VAL A 5 0.011 -0.109 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.227 1.024 -2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.003 2.098 -1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.714 2.319 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.400 -0.652 -1.016 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.879 0.649 0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.995 -0.770 0.713 1.00 0.00 H new ATOM 94 N SER A 6 -1.259 3.030 0.069 1.00 0.00 N ATOM 95 CA SER A 6 -2.640 3.585 -0.107 1.00 0.00 C ATOM 96 C SER A 6 -3.139 3.269 -1.535 1.00 0.00 C ATOM 97 O SER A 6 -2.335 3.129 -2.434 1.00 0.00 O ATOM 98 CB SER A 6 -2.580 5.103 0.094 1.00 0.00 C ATOM 99 OG SER A 6 -2.571 5.391 1.487 1.00 0.00 O ATOM 0 H SER A 6 -0.516 3.591 -0.347 1.00 0.00 H new ATOM 0 HA SER A 6 -3.323 3.140 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.686 5.509 -0.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.437 5.579 -0.382 1.00 0.00 H new ATOM 0 HG SER A 6 -2.531 6.361 1.620 1.00 0.00 H new ATOM 105 N PRO A 7 -4.447 3.170 -1.721 1.00 0.00 N ATOM 106 CA PRO A 7 -5.015 2.880 -3.055 1.00 0.00 C ATOM 107 C PRO A 7 -4.520 3.906 -4.087 1.00 0.00 C ATOM 108 O PRO A 7 -4.167 3.561 -5.197 1.00 0.00 O ATOM 109 CB PRO A 7 -6.551 2.972 -2.865 1.00 0.00 C ATOM 110 CG PRO A 7 -6.817 3.323 -1.372 1.00 0.00 C ATOM 111 CD PRO A 7 -5.454 3.332 -0.647 1.00 0.00 C ATOM 0 HA PRO A 7 -4.713 1.902 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.973 3.735 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.027 2.027 -3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.303 4.295 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.487 2.592 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.303 4.264 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.389 2.523 0.081 1.00 0.00 H new ATOM 119 N LYS A 8 -4.500 5.162 -3.735 1.00 0.00 N ATOM 120 CA LYS A 8 -4.041 6.198 -4.704 1.00 0.00 C ATOM 121 C LYS A 8 -2.610 5.889 -5.154 1.00 0.00 C ATOM 122 O LYS A 8 -2.203 6.247 -6.242 1.00 0.00 O ATOM 123 CB LYS A 8 -4.089 7.578 -4.041 1.00 0.00 C ATOM 124 CG LYS A 8 -3.032 7.662 -2.935 1.00 0.00 C ATOM 125 CD LYS A 8 -3.355 8.836 -2.004 1.00 0.00 C ATOM 126 CE LYS A 8 -2.312 8.906 -0.888 1.00 0.00 C ATOM 127 NZ LYS A 8 -0.981 9.238 -1.471 1.00 0.00 N ATOM 0 H LYS A 8 -4.781 5.516 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.697 6.193 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.912 8.355 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.080 7.756 -3.623 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.009 6.731 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.042 7.793 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.363 9.769 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.351 8.713 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.598 9.660 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.263 7.953 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.358 8.407 -1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.097 9.511 -2.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.558 10.028 -0.943 1.00 0.00 H new ATOM 141 N GLU A 9 -1.845 5.224 -4.332 1.00 0.00 N ATOM 142 CA GLU A 9 -0.443 4.888 -4.721 1.00 0.00 C ATOM 143 C GLU A 9 -0.446 3.597 -5.544 1.00 0.00 C ATOM 144 O GLU A 9 0.444 3.348 -6.334 1.00 0.00 O ATOM 145 CB GLU A 9 0.402 4.691 -3.458 1.00 0.00 C ATOM 146 CG GLU A 9 0.797 6.054 -2.883 1.00 0.00 C ATOM 147 CD GLU A 9 1.847 6.705 -3.785 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.956 6.199 -3.830 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.524 7.699 -4.414 1.00 0.00 O ATOM 0 H GLU A 9 -2.129 4.898 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.020 5.698 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.161 4.122 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.295 4.112 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.080 6.696 -2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.193 5.934 -1.875 1.00 0.00 H new ATOM 156 N LEU A 10 -1.443 2.773 -5.367 1.00 0.00 N ATOM 157 CA LEU A 10 -1.511 1.500 -6.140 1.00 0.00 C ATOM 158 C LEU A 10 -2.131 1.779 -7.511 1.00 0.00 C ATOM 159 O LEU A 10 -1.966 1.020 -8.445 1.00 0.00 O ATOM 160 CB LEU A 10 -2.388 0.495 -5.384 1.00 0.00 C ATOM 161 CG LEU A 10 -1.713 0.089 -4.065 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.705 -0.723 -3.226 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.455 -0.760 -4.343 1.00 0.00 C ATOM 0 H LEU A 10 -2.215 2.927 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.509 1.090 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.365 0.934 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.557 -0.387 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.414 0.987 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.234 -1.015 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.586 -0.116 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.002 -1.616 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.011 -1.039 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.737 -1.660 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.251 -0.181 -4.939 1.00 0.00 H new ATOM 175 N ALA A 11 -2.856 2.858 -7.625 1.00 0.00 N ATOM 176 CA ALA A 11 -3.505 3.211 -8.924 1.00 0.00 C ATOM 177 C ALA A 11 -2.457 3.496 -10.011 1.00 0.00 C ATOM 178 O ALA A 11 -2.697 4.290 -10.901 1.00 0.00 O ATOM 179 CB ALA A 11 -4.374 4.455 -8.730 1.00 0.00 C ATOM 0 H ALA A 11 -3.029 3.518 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.113 2.365 -9.244 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.850 4.717 -9.675 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.140 4.251 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.752 5.285 -8.395 1.00 0.00 H new ATOM 185 N ASN A 12 -1.299 2.882 -9.961 1.00 0.00 N ATOM 186 CA ASN A 12 -0.267 3.162 -11.011 1.00 0.00 C ATOM 187 C ASN A 12 0.560 1.902 -11.307 1.00 0.00 C ATOM 188 O ASN A 12 1.386 1.899 -12.197 1.00 0.00 O ATOM 189 CB ASN A 12 0.656 4.289 -10.523 1.00 0.00 C ATOM 190 CG ASN A 12 0.868 4.159 -9.014 1.00 0.00 C ATOM 191 OD1 ASN A 12 0.115 4.707 -8.235 1.00 0.00 O ATOM 192 ND2 ASN A 12 1.871 3.455 -8.567 1.00 0.00 N ATOM 0 H ASN A 12 -1.025 2.206 -9.248 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.768 3.466 -11.930 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.614 4.239 -11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.218 5.259 -10.757 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.023 3.365 -7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.503 2.995 -9.222 1.00 0.00 H new ATOM 199 N LEU A 13 0.344 0.826 -10.596 1.00 0.00 N ATOM 200 CA LEU A 13 1.126 -0.411 -10.888 1.00 0.00 C ATOM 201 C LEU A 13 0.491 -1.098 -12.113 1.00 0.00 C ATOM 202 O LEU A 13 -0.705 -1.000 -12.291 1.00 0.00 O ATOM 203 CB LEU A 13 1.068 -1.359 -9.681 1.00 0.00 C ATOM 204 CG LEU A 13 1.362 -0.595 -8.381 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.627 -1.597 -7.252 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.595 0.298 -8.560 1.00 0.00 C ATOM 0 H LEU A 13 -0.331 0.750 -9.835 1.00 0.00 H new ATOM 0 HA LEU A 13 2.168 -0.161 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.083 -1.823 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.792 -2.164 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 13 0.502 0.027 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.836 -1.057 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.750 -2.229 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.484 -2.219 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.794 0.834 -7.632 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.457 -0.319 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.412 1.014 -9.361 1.00 0.00 H new ATOM 218 N PRO A 14 1.277 -1.771 -12.936 1.00 0.00 N ATOM 219 CA PRO A 14 0.725 -2.449 -14.127 1.00 0.00 C ATOM 220 C PRO A 14 -0.349 -3.470 -13.716 1.00 0.00 C ATOM 221 O PRO A 14 -1.507 -3.343 -14.059 1.00 0.00 O ATOM 222 CB PRO A 14 1.939 -3.144 -14.791 1.00 0.00 C ATOM 223 CG PRO A 14 3.175 -2.895 -13.878 1.00 0.00 C ATOM 224 CD PRO A 14 2.740 -1.917 -12.765 1.00 0.00 C ATOM 0 HA PRO A 14 0.237 -1.755 -14.811 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.755 -4.212 -14.905 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.112 -2.743 -15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.529 -3.832 -13.448 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.000 -2.477 -14.455 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.985 -2.308 -11.778 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.247 -0.957 -12.862 1.00 0.00 H new ATOM 232 N GLY A 15 0.037 -4.486 -12.997 1.00 0.00 N ATOM 233 CA GLY A 15 -0.943 -5.528 -12.573 1.00 0.00 C ATOM 234 C GLY A 15 -2.215 -4.874 -12.025 1.00 0.00 C ATOM 235 O GLY A 15 -3.307 -5.372 -12.211 1.00 0.00 O ATOM 0 H GLY A 15 0.995 -4.642 -12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.191 -6.168 -13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.497 -6.166 -11.810 1.00 0.00 H new ATOM 239 N LEU A 16 -2.085 -3.768 -11.344 1.00 0.00 N ATOM 240 CA LEU A 16 -3.288 -3.084 -10.773 1.00 0.00 C ATOM 241 C LEU A 16 -3.784 -2.015 -11.771 1.00 0.00 C ATOM 242 O LEU A 16 -2.987 -1.464 -12.499 1.00 0.00 O ATOM 243 CB LEU A 16 -2.882 -2.408 -9.458 1.00 0.00 C ATOM 244 CG LEU A 16 -2.115 -3.405 -8.580 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.794 -2.747 -7.237 1.00 0.00 C ATOM 246 CD2 LEU A 16 -2.971 -4.658 -8.344 1.00 0.00 C ATOM 0 H LEU A 16 -1.196 -3.305 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.085 -3.805 -10.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.261 -1.536 -9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.768 -2.052 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.191 -3.693 -9.081 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.249 -3.451 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.183 -1.860 -7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.722 -2.461 -6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.421 -5.362 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.898 -4.377 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.203 -5.126 -9.301 1.00 0.00 H new ATOM 258 N PRO A 17 -5.078 -1.732 -11.792 1.00 0.00 N ATOM 259 CA PRO A 17 -5.616 -0.714 -12.716 1.00 0.00 C ATOM 260 C PRO A 17 -4.881 0.620 -12.511 1.00 0.00 C ATOM 261 O PRO A 17 -3.937 0.707 -11.751 1.00 0.00 O ATOM 262 CB PRO A 17 -7.118 -0.599 -12.358 1.00 0.00 C ATOM 263 CG PRO A 17 -7.398 -1.596 -11.196 1.00 0.00 C ATOM 264 CD PRO A 17 -6.094 -2.379 -10.928 1.00 0.00 C ATOM 0 HA PRO A 17 -5.481 -0.981 -13.764 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.364 0.419 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.738 -0.834 -13.223 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.714 -1.061 -10.300 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.206 -2.277 -11.462 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.810 -2.327 -9.877 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.209 -3.434 -11.175 1.00 0.00 H new ATOM 272 N LYS A 18 -5.311 1.654 -13.190 1.00 0.00 N ATOM 273 CA LYS A 18 -4.650 2.991 -13.054 1.00 0.00 C ATOM 274 C LYS A 18 -5.528 3.919 -12.210 1.00 0.00 C ATOM 275 O LYS A 18 -5.238 5.089 -12.059 1.00 0.00 O ATOM 276 CB LYS A 18 -4.462 3.598 -14.447 1.00 0.00 C ATOM 277 CG LYS A 18 -3.979 2.514 -15.412 1.00 0.00 C ATOM 278 CD LYS A 18 -3.466 3.165 -16.697 1.00 0.00 C ATOM 279 CE LYS A 18 -3.093 2.080 -17.710 1.00 0.00 C ATOM 280 NZ LYS A 18 -4.244 1.152 -17.890 1.00 0.00 N ATOM 0 H LYS A 18 -6.098 1.630 -13.838 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.682 2.872 -12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.401 4.023 -14.801 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.739 4.413 -14.406 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.187 1.927 -14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.794 1.827 -15.640 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.231 3.819 -17.115 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.598 3.787 -16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.826 2.535 -18.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.219 1.529 -17.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.139 0.638 -18.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.268 0.472 -17.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.130 1.696 -17.905 1.00 0.00 H new ATOM 294 N THR A 19 -6.601 3.404 -11.661 1.00 0.00 N ATOM 295 CA THR A 19 -7.511 4.248 -10.822 1.00 0.00 C ATOM 296 C THR A 19 -7.841 3.507 -9.526 1.00 0.00 C ATOM 297 O THR A 19 -8.174 2.338 -9.535 1.00 0.00 O ATOM 298 CB THR A 19 -8.805 4.519 -11.593 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.648 3.377 -11.517 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.477 4.818 -13.057 1.00 0.00 C ATOM 0 H THR A 19 -6.888 2.430 -11.758 1.00 0.00 H new ATOM 0 HA THR A 19 -7.019 5.192 -10.588 1.00 0.00 H new ATOM 0 HB THR A 19 -9.315 5.377 -11.156 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.478 3.550 -12.009 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.400 5.011 -13.605 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.832 5.695 -13.114 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.966 3.962 -13.497 1.00 0.00 H new ATOM 308 N SER A 20 -7.749 4.177 -8.410 1.00 0.00 N ATOM 309 CA SER A 20 -8.055 3.510 -7.113 1.00 0.00 C ATOM 310 C SER A 20 -9.441 2.865 -7.184 1.00 0.00 C ATOM 311 O SER A 20 -9.702 1.860 -6.554 1.00 0.00 O ATOM 312 CB SER A 20 -8.037 4.549 -5.990 1.00 0.00 C ATOM 313 OG SER A 20 -8.832 4.084 -4.907 1.00 0.00 O ATOM 0 H SER A 20 -7.475 5.157 -8.340 1.00 0.00 H new ATOM 0 HA SER A 20 -7.306 2.743 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.014 4.723 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.420 5.502 -6.355 1.00 0.00 H new ATOM 0 HG SER A 20 -8.770 4.716 -4.161 1.00 0.00 H new ATOM 319 N ALA A 21 -10.331 3.435 -7.949 1.00 0.00 N ATOM 320 CA ALA A 21 -11.699 2.853 -8.060 1.00 0.00 C ATOM 321 C ALA A 21 -11.595 1.385 -8.474 1.00 0.00 C ATOM 322 O ALA A 21 -12.383 0.556 -8.063 1.00 0.00 O ATOM 323 CB ALA A 21 -12.498 3.624 -9.112 1.00 0.00 C ATOM 0 H ALA A 21 -10.171 4.277 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.204 2.925 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.498 3.198 -9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.572 4.671 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.994 3.553 -10.076 1.00 0.00 H new ATOM 329 N GLY A 22 -10.627 1.057 -9.285 1.00 0.00 N ATOM 330 CA GLY A 22 -10.470 -0.357 -9.729 1.00 0.00 C ATOM 331 C GLY A 22 -9.708 -1.146 -8.662 1.00 0.00 C ATOM 332 O GLY A 22 -9.973 -2.308 -8.429 1.00 0.00 O ATOM 0 H GLY A 22 -9.937 1.708 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.448 -0.806 -9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.933 -0.394 -10.677 1.00 0.00 H new ATOM 336 N VAL A 23 -8.762 -0.524 -8.012 1.00 0.00 N ATOM 337 CA VAL A 23 -7.985 -1.240 -6.962 1.00 0.00 C ATOM 338 C VAL A 23 -8.912 -1.604 -5.804 1.00 0.00 C ATOM 339 O VAL A 23 -8.946 -2.733 -5.355 1.00 0.00 O ATOM 340 CB VAL A 23 -6.863 -0.337 -6.447 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.047 -1.087 -5.394 1.00 0.00 C ATOM 342 CG2 VAL A 23 -5.952 0.060 -7.612 1.00 0.00 C ATOM 0 H VAL A 23 -8.494 0.449 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.555 -2.147 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.294 0.559 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.247 -0.443 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.695 -1.369 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.616 -1.984 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.152 0.704 -7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.521 -0.836 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.533 0.596 -8.362 1.00 0.00 H new ATOM 352 N ILE A 24 -9.668 -0.660 -5.316 1.00 0.00 N ATOM 353 CA ILE A 24 -10.594 -0.957 -4.189 1.00 0.00 C ATOM 354 C ILE A 24 -11.658 -1.948 -4.666 1.00 0.00 C ATOM 355 O ILE A 24 -11.970 -2.909 -3.992 1.00 0.00 O ATOM 356 CB ILE A 24 -11.251 0.343 -3.715 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.174 1.231 -3.070 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.344 0.021 -2.690 1.00 0.00 C ATOM 359 CD1 ILE A 24 -10.725 2.640 -2.781 1.00 0.00 C ATOM 0 H ILE A 24 -9.684 0.304 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.044 -1.396 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.702 0.865 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.828 0.774 -2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.311 1.302 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.811 0.947 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.097 -0.619 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.902 -0.494 -1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.945 3.249 -2.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.048 3.103 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.573 2.567 -2.100 1.00 0.00 H new ATOM 371 N TYR A 25 -12.211 -1.728 -5.828 1.00 0.00 N ATOM 372 CA TYR A 25 -13.243 -2.668 -6.346 1.00 0.00 C ATOM 373 C TYR A 25 -12.620 -4.056 -6.493 1.00 0.00 C ATOM 374 O TYR A 25 -13.216 -5.059 -6.153 1.00 0.00 O ATOM 375 CB TYR A 25 -13.740 -2.184 -7.710 1.00 0.00 C ATOM 376 CG TYR A 25 -14.808 -3.122 -8.219 1.00 0.00 C ATOM 377 CD1 TYR A 25 -14.448 -4.257 -8.969 1.00 0.00 C ATOM 378 CD2 TYR A 25 -16.165 -2.860 -7.944 1.00 0.00 C ATOM 379 CE1 TYR A 25 -15.443 -5.132 -9.444 1.00 0.00 C ATOM 380 CE2 TYR A 25 -17.160 -3.735 -8.420 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.800 -4.871 -9.169 1.00 0.00 C ATOM 382 OH TYR A 25 -17.776 -5.728 -9.636 1.00 0.00 O ATOM 0 H TYR A 25 -11.993 -0.940 -6.438 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.083 -2.711 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.139 -1.173 -7.626 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.911 -2.142 -8.417 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.408 -4.457 -9.180 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.442 -1.989 -7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -15.166 -6.003 -10.019 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.200 -3.534 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.657 -5.403 -9.357 1.00 0.00 H new ATOM 392 N VAL A 26 -11.415 -4.116 -6.989 1.00 0.00 N ATOM 393 CA VAL A 26 -10.735 -5.430 -7.154 1.00 0.00 C ATOM 394 C VAL A 26 -10.277 -5.930 -5.783 1.00 0.00 C ATOM 395 O VAL A 26 -10.162 -7.116 -5.549 1.00 0.00 O ATOM 396 CB VAL A 26 -9.523 -5.262 -8.077 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.675 -6.536 -8.065 1.00 0.00 C ATOM 398 CG2 VAL A 26 -10.005 -4.990 -9.504 1.00 0.00 C ATOM 0 H VAL A 26 -10.870 -3.307 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.423 -6.152 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.919 -4.426 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.816 -6.408 -8.724 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.328 -6.733 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.276 -7.376 -8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.144 -4.870 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.612 -5.827 -9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.603 -4.079 -9.519 1.00 0.00 H new ATOM 408 N ALA A 27 -10.020 -5.032 -4.871 1.00 0.00 N ATOM 409 CA ALA A 27 -9.578 -5.461 -3.515 1.00 0.00 C ATOM 410 C ALA A 27 -10.566 -6.494 -2.978 1.00 0.00 C ATOM 411 O ALA A 27 -10.216 -7.363 -2.207 1.00 0.00 O ATOM 412 CB ALA A 27 -9.540 -4.250 -2.581 1.00 0.00 C ATOM 0 H ALA A 27 -10.097 -4.024 -5.006 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.581 -5.898 -3.571 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.216 -4.566 -1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.841 -3.510 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.535 -3.810 -2.515 1.00 0.00 H new ATOM 418 N LYS A 28 -11.802 -6.407 -3.388 1.00 0.00 N ATOM 419 CA LYS A 28 -12.816 -7.388 -2.912 1.00 0.00 C ATOM 420 C LYS A 28 -12.539 -8.743 -3.565 1.00 0.00 C ATOM 421 O LYS A 28 -12.816 -9.784 -3.003 1.00 0.00 O ATOM 422 CB LYS A 28 -14.216 -6.904 -3.302 1.00 0.00 C ATOM 423 CG LYS A 28 -14.464 -5.512 -2.708 1.00 0.00 C ATOM 424 CD LYS A 28 -15.657 -4.855 -3.408 1.00 0.00 C ATOM 425 CE LYS A 28 -16.938 -5.622 -3.072 1.00 0.00 C ATOM 426 NZ LYS A 28 -18.121 -4.816 -3.484 1.00 0.00 N ATOM 0 H LYS A 28 -12.153 -5.698 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.760 -7.484 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.310 -6.869 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.968 -7.605 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.657 -5.592 -1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.575 -4.892 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.750 -3.816 -3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.499 -4.847 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.944 -6.584 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.980 -5.830 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.992 -5.336 -3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.117 -3.909 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.081 -4.639 -4.508 1.00 0.00 H new ATOM 440 N LYS A 29 -11.990 -8.734 -4.749 1.00 0.00 N ATOM 441 CA LYS A 29 -11.688 -10.018 -5.444 1.00 0.00 C ATOM 442 C LYS A 29 -10.635 -10.789 -4.645 1.00 0.00 C ATOM 443 O LYS A 29 -10.281 -11.903 -4.976 1.00 0.00 O ATOM 444 CB LYS A 29 -11.145 -9.721 -6.848 1.00 0.00 C ATOM 445 CG LYS A 29 -12.188 -8.928 -7.664 1.00 0.00 C ATOM 446 CD LYS A 29 -13.180 -9.888 -8.352 1.00 0.00 C ATOM 447 CE LYS A 29 -12.614 -10.357 -9.698 1.00 0.00 C ATOM 448 NZ LYS A 29 -12.361 -9.176 -10.571 1.00 0.00 N ATOM 0 H LYS A 29 -11.737 -7.892 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.597 -10.614 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.219 -9.151 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.905 -10.654 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.729 -8.246 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.684 -8.318 -8.414 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.371 -10.748 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.136 -9.387 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.689 -10.912 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.315 -11.037 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.476 -9.450 -11.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.038 -8.422 -10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.392 -8.831 -10.416 1.00 0.00 H new ATOM 462 N GLN A 30 -10.132 -10.200 -3.592 1.00 0.00 N ATOM 463 CA GLN A 30 -9.099 -10.885 -2.759 1.00 0.00 C ATOM 464 C GLN A 30 -9.239 -10.414 -1.311 1.00 0.00 C ATOM 465 O GLN A 30 -9.521 -11.190 -0.420 1.00 0.00 O ATOM 466 CB GLN A 30 -7.704 -10.524 -3.279 1.00 0.00 C ATOM 467 CG GLN A 30 -7.515 -11.095 -4.685 1.00 0.00 C ATOM 468 CD GLN A 30 -6.054 -10.936 -5.108 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.247 -11.818 -4.892 1.00 0.00 O ATOM 470 NE2 GLN A 30 -5.677 -9.840 -5.706 1.00 0.00 N ATOM 0 H GLN A 30 -10.394 -9.268 -3.271 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.236 -11.965 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.581 -9.441 -3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.941 -10.921 -2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.797 -12.148 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.167 -10.578 -5.389 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.354 -9.099 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.705 -9.724 -5.992 1.00 0.00 H new ATOM 479 N GLY A 31 -9.056 -9.142 -1.073 1.00 0.00 N ATOM 480 CA GLY A 31 -9.193 -8.603 0.314 1.00 0.00 C ATOM 481 C GLY A 31 -7.825 -8.556 1.000 1.00 0.00 C ATOM 482 O GLY A 31 -7.648 -9.086 2.079 1.00 0.00 O ATOM 0 H GLY A 31 -8.816 -8.449 -1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.627 -7.604 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.875 -9.229 0.889 1.00 0.00 H new ATOM 486 N TRP A 32 -6.860 -7.917 0.397 1.00 0.00 N ATOM 487 CA TRP A 32 -5.519 -7.837 1.040 1.00 0.00 C ATOM 488 C TRP A 32 -5.677 -7.240 2.440 1.00 0.00 C ATOM 489 O TRP A 32 -6.457 -6.331 2.649 1.00 0.00 O ATOM 490 CB TRP A 32 -4.592 -6.939 0.213 1.00 0.00 C ATOM 491 CG TRP A 32 -4.687 -7.294 -1.234 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.437 -8.517 -1.755 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.011 -6.426 -2.357 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.613 -8.464 -3.128 1.00 0.00 N ATOM 495 CE2 TRP A 32 -4.962 -7.197 -3.549 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.349 -5.057 -2.456 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.237 -6.628 -4.801 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.625 -4.479 -3.715 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.570 -5.264 -4.883 1.00 0.00 C ATOM 0 H TRP A 32 -6.941 -7.450 -0.506 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.087 -8.836 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.863 -5.893 0.357 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.563 -7.052 0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.147 -9.392 -1.192 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.499 -9.263 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.396 -4.450 -1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.193 -7.232 -5.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -5.879 -3.431 -3.782 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.784 -4.818 -5.843 1.00 0.00 H new ATOM 510 N GLN A 33 -4.944 -7.734 3.400 1.00 0.00 N ATOM 511 CA GLN A 33 -5.058 -7.180 4.781 1.00 0.00 C ATOM 512 C GLN A 33 -4.995 -5.651 4.718 1.00 0.00 C ATOM 513 O GLN A 33 -3.931 -5.070 4.680 1.00 0.00 O ATOM 514 CB GLN A 33 -3.902 -7.704 5.637 1.00 0.00 C ATOM 515 CG GLN A 33 -4.057 -7.200 7.073 1.00 0.00 C ATOM 516 CD GLN A 33 -3.003 -7.860 7.964 1.00 0.00 C ATOM 517 OE1 GLN A 33 -3.272 -8.855 8.607 1.00 0.00 O ATOM 518 NE2 GLN A 33 -1.806 -7.344 8.030 1.00 0.00 N ATOM 0 H GLN A 33 -4.273 -8.494 3.290 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.005 -7.489 5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.891 -8.794 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.950 -7.370 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.946 -6.116 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.056 -7.429 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.580 -6.509 7.490 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.096 -7.776 8.621 1.00 0.00 H new ATOM 527 N ASN A 34 -6.132 -4.999 4.692 1.00 0.00 N ATOM 528 CA ASN A 34 -6.150 -3.502 4.616 1.00 0.00 C ATOM 529 C ASN A 34 -6.433 -2.908 5.999 1.00 0.00 C ATOM 530 O ASN A 34 -7.491 -3.101 6.565 1.00 0.00 O ATOM 531 CB ASN A 34 -7.249 -3.058 3.642 1.00 0.00 C ATOM 532 CG ASN A 34 -8.500 -3.912 3.861 1.00 0.00 C ATOM 533 OD1 ASN A 34 -9.296 -3.630 4.735 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.707 -4.950 3.100 1.00 0.00 N ATOM 0 H ASN A 34 -7.052 -5.439 4.720 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.179 -3.151 4.268 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.483 -2.005 3.797 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.902 -3.160 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.537 -5.526 3.238 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.039 -5.186 2.367 1.00 0.00 H new ATOM 541 N ARG A 35 -5.498 -2.171 6.539 1.00 0.00 N ATOM 542 CA ARG A 35 -5.715 -1.543 7.877 1.00 0.00 C ATOM 543 C ARG A 35 -6.358 -0.167 7.685 1.00 0.00 C ATOM 544 O ARG A 35 -6.110 0.511 6.709 1.00 0.00 O ATOM 545 CB ARG A 35 -4.367 -1.383 8.588 1.00 0.00 C ATOM 546 CG ARG A 35 -4.586 -0.779 9.983 1.00 0.00 C ATOM 547 CD ARG A 35 -3.248 -0.711 10.756 1.00 0.00 C ATOM 548 NE ARG A 35 -3.444 -1.190 12.163 1.00 0.00 N ATOM 549 CZ ARG A 35 -4.446 -0.771 12.893 1.00 0.00 C ATOM 550 NH1 ARG A 35 -5.248 0.156 12.447 1.00 0.00 N ATOM 551 NH2 ARG A 35 -4.625 -1.261 14.089 1.00 0.00 N ATOM 0 H ARG A 35 -4.593 -1.976 6.111 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.369 -2.173 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.873 -2.351 8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.710 -0.740 8.002 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.012 0.220 9.891 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.304 -1.382 10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.498 -1.324 10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.873 0.312 10.760 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.782 -1.857 12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.097 0.560 11.523 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.027 0.477 13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.985 -1.968 14.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.405 -0.937 14.661 1.00 0.00 H new ATOM 565 N THR A 36 -7.184 0.256 8.607 1.00 0.00 N ATOM 566 CA THR A 36 -7.838 1.593 8.474 1.00 0.00 C ATOM 567 C THR A 36 -7.017 2.630 9.242 1.00 0.00 C ATOM 568 O THR A 36 -6.614 2.407 10.367 1.00 0.00 O ATOM 569 CB THR A 36 -9.257 1.524 9.058 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.263 0.656 10.182 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.232 0.999 8.003 1.00 0.00 C ATOM 0 H THR A 36 -7.434 -0.267 9.447 1.00 0.00 H new ATOM 0 HA THR A 36 -7.893 1.876 7.423 1.00 0.00 H new ATOM 0 HB THR A 36 -9.567 2.523 9.364 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.167 0.612 10.557 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.236 0.953 8.426 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.231 1.667 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.925 0.002 7.688 1.00 0.00 H new ATOM 579 N ARG A 37 -6.766 3.763 8.643 1.00 0.00 N ATOM 580 CA ARG A 37 -5.971 4.818 9.338 1.00 0.00 C ATOM 581 C ARG A 37 -6.919 5.767 10.071 1.00 0.00 C ATOM 582 O ARG A 37 -6.808 5.973 11.262 1.00 0.00 O ATOM 583 CB ARG A 37 -5.147 5.595 8.300 1.00 0.00 C ATOM 584 CG ARG A 37 -4.508 6.837 8.938 1.00 0.00 C ATOM 585 CD ARG A 37 -3.785 6.450 10.232 1.00 0.00 C ATOM 586 NE ARG A 37 -2.842 7.545 10.643 1.00 0.00 N ATOM 587 CZ ARG A 37 -1.854 7.931 9.878 1.00 0.00 C ATOM 588 NH1 ARG A 37 -1.563 7.277 8.789 1.00 0.00 N ATOM 589 NH2 ARG A 37 -1.124 8.953 10.233 1.00 0.00 N ATOM 0 H ARG A 37 -7.077 4.004 7.702 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.297 4.359 10.061 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.370 4.951 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.787 5.894 7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.804 7.292 8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.275 7.582 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.512 6.269 11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.234 5.521 10.086 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.976 8.001 11.545 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.108 6.456 8.526 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.790 7.586 8.199 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.325 9.446 11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.352 9.259 9.641 1.00 0.00 H new ATOM 603 N ALA A 38 -7.848 6.344 9.366 1.00 0.00 N ATOM 604 CA ALA A 38 -8.809 7.283 10.013 1.00 0.00 C ATOM 605 C ALA A 38 -8.037 8.427 10.670 1.00 0.00 C ATOM 606 O ALA A 38 -7.824 8.438 11.866 1.00 0.00 O ATOM 607 CB ALA A 38 -9.622 6.540 11.077 1.00 0.00 C ATOM 0 H ALA A 38 -7.986 6.207 8.365 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.485 7.684 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.323 7.230 11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.174 5.725 10.610 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.949 6.136 11.833 1.00 0.00 H new ATOM 613 N GLY A 39 -7.617 9.392 9.898 1.00 0.00 N ATOM 614 CA GLY A 39 -6.859 10.532 10.483 1.00 0.00 C ATOM 615 C GLY A 39 -6.330 11.433 9.365 1.00 0.00 C ATOM 616 O GLY A 39 -6.115 12.613 9.557 1.00 0.00 O ATOM 0 H GLY A 39 -7.766 9.440 8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.504 11.105 11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.030 10.159 11.084 1.00 0.00 H new ATOM 620 N VAL A 40 -6.115 10.887 8.199 1.00 0.00 N ATOM 621 CA VAL A 40 -5.596 11.714 7.077 1.00 0.00 C ATOM 622 C VAL A 40 -6.701 12.632 6.554 1.00 0.00 C ATOM 623 O VAL A 40 -6.583 13.840 6.587 1.00 0.00 O ATOM 624 CB VAL A 40 -5.098 10.792 5.956 1.00 0.00 C ATOM 625 CG1 VAL A 40 -3.919 9.964 6.478 1.00 0.00 C ATOM 626 CG2 VAL A 40 -6.230 9.852 5.491 1.00 0.00 C ATOM 0 H VAL A 40 -6.277 9.905 7.977 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.769 12.330 7.429 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.780 11.397 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.559 9.306 5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.115 10.631 6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.243 9.365 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.861 9.204 4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.564 9.242 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.065 10.445 5.118 1.00 0.00 H new ATOM 636 N LYS A 41 -7.773 12.072 6.072 1.00 0.00 N ATOM 637 CA LYS A 41 -8.886 12.915 5.546 1.00 0.00 C ATOM 638 C LYS A 41 -10.041 12.021 5.107 1.00 0.00 C ATOM 639 O LYS A 41 -10.278 11.807 3.935 1.00 0.00 O ATOM 640 CB LYS A 41 -8.396 13.727 4.357 1.00 0.00 C ATOM 641 CG LYS A 41 -7.528 12.840 3.464 1.00 0.00 C ATOM 642 CD LYS A 41 -7.263 13.553 2.136 1.00 0.00 C ATOM 643 CE LYS A 41 -6.276 12.733 1.302 1.00 0.00 C ATOM 644 NZ LYS A 41 -5.754 13.570 0.185 1.00 0.00 N ATOM 0 H LYS A 41 -7.929 11.065 6.018 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.226 13.591 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.244 14.114 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.823 14.588 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.585 12.616 3.963 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.027 11.888 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.197 13.683 1.589 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.860 14.549 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.453 12.389 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.768 11.845 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.083 13.013 -0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.544 13.878 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.270 14.404 0.573 1.00 0.00 H new ATOM 658 N GLY A 42 -10.760 11.510 6.046 1.00 0.00 N ATOM 659 CA GLY A 42 -11.915 10.629 5.714 1.00 0.00 C ATOM 660 C GLY A 42 -12.438 9.955 6.983 1.00 0.00 C ATOM 661 O GLY A 42 -13.442 9.270 6.964 1.00 0.00 O ATOM 0 H GLY A 42 -10.604 11.660 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.708 11.215 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.611 9.873 4.990 1.00 0.00 H new ATOM 665 N GLY A 43 -11.770 10.141 8.088 1.00 0.00 N ATOM 666 CA GLY A 43 -12.235 9.507 9.355 1.00 0.00 C ATOM 667 C GLY A 43 -12.176 7.983 9.216 1.00 0.00 C ATOM 668 O GLY A 43 -12.465 7.256 10.145 1.00 0.00 O ATOM 0 H GLY A 43 -10.923 10.704 8.169 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.610 9.831 10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.254 9.823 9.580 1.00 0.00 H new ATOM 672 N LYS A 44 -11.802 7.500 8.063 1.00 0.00 N ATOM 673 CA LYS A 44 -11.718 6.026 7.852 1.00 0.00 C ATOM 674 C LYS A 44 -11.131 5.755 6.469 1.00 0.00 C ATOM 675 O LYS A 44 -11.843 5.643 5.491 1.00 0.00 O ATOM 676 CB LYS A 44 -13.119 5.410 7.936 1.00 0.00 C ATOM 677 CG LYS A 44 -13.032 3.907 7.664 1.00 0.00 C ATOM 678 CD LYS A 44 -14.380 3.253 7.975 1.00 0.00 C ATOM 679 CE LYS A 44 -14.241 1.732 7.898 1.00 0.00 C ATOM 680 NZ LYS A 44 -13.524 1.239 9.109 1.00 0.00 N ATOM 0 H LYS A 44 -11.549 8.066 7.253 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.084 5.583 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.548 5.588 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.780 5.884 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.762 3.730 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.249 3.460 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.718 3.548 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.134 3.596 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.225 1.269 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.694 1.451 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.145 0.288 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.741 1.885 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.184 1.200 9.911 1.00 0.00 H new ATOM 694 N ALA A 45 -9.833 5.652 6.377 1.00 0.00 N ATOM 695 CA ALA A 45 -9.192 5.391 5.056 1.00 0.00 C ATOM 696 C ALA A 45 -9.077 3.880 4.843 1.00 0.00 C ATOM 697 O ALA A 45 -9.712 3.101 5.523 1.00 0.00 O ATOM 698 CB ALA A 45 -7.798 6.022 5.040 1.00 0.00 C ATOM 0 H ALA A 45 -9.187 5.738 7.162 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.795 5.825 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.325 5.834 4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.883 7.097 5.199 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.192 5.585 5.833 1.00 0.00 H new ATOM 704 N ILE A 46 -8.265 3.459 3.910 1.00 0.00 N ATOM 705 CA ILE A 46 -8.103 1.995 3.657 1.00 0.00 C ATOM 706 C ILE A 46 -6.672 1.725 3.200 1.00 0.00 C ATOM 707 O ILE A 46 -6.373 1.724 2.024 1.00 0.00 O ATOM 708 CB ILE A 46 -9.083 1.545 2.566 1.00 0.00 C ATOM 709 CG1 ILE A 46 -10.508 1.938 2.978 1.00 0.00 C ATOM 710 CG2 ILE A 46 -9.001 0.019 2.386 1.00 0.00 C ATOM 711 CD1 ILE A 46 -11.524 1.281 2.040 1.00 0.00 C ATOM 0 H ILE A 46 -7.706 4.066 3.311 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.310 1.441 4.572 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.825 2.028 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.697 1.629 4.006 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.619 3.022 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.699 -0.294 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.988 -0.259 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.258 -0.472 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.533 1.565 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.342 1.612 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.421 0.197 2.094 1.00 0.00 H new ATOM 723 N GLU A 47 -5.787 1.484 4.123 1.00 0.00 N ATOM 724 CA GLU A 47 -4.375 1.202 3.746 1.00 0.00 C ATOM 725 C GLU A 47 -4.281 -0.233 3.217 1.00 0.00 C ATOM 726 O GLU A 47 -5.213 -1.002 3.332 1.00 0.00 O ATOM 727 CB GLU A 47 -3.482 1.358 4.984 1.00 0.00 C ATOM 728 CG GLU A 47 -3.189 2.842 5.225 1.00 0.00 C ATOM 729 CD GLU A 47 -4.504 3.597 5.426 1.00 0.00 C ATOM 730 OE1 GLU A 47 -5.329 3.119 6.187 1.00 0.00 O ATOM 731 OE2 GLU A 47 -4.664 4.641 4.815 1.00 0.00 O ATOM 0 H GLU A 47 -5.980 1.470 5.125 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.046 1.898 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.975 0.928 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.550 0.811 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.552 2.960 6.102 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.645 3.258 4.377 1.00 0.00 H new ATOM 738 N TYR A 48 -3.165 -0.596 2.633 1.00 0.00 N ATOM 739 CA TYR A 48 -3.001 -1.986 2.093 1.00 0.00 C ATOM 740 C TYR A 48 -1.629 -2.533 2.494 1.00 0.00 C ATOM 741 O TYR A 48 -0.625 -1.860 2.388 1.00 0.00 O ATOM 742 CB TYR A 48 -3.109 -1.958 0.565 1.00 0.00 C ATOM 743 CG TYR A 48 -4.556 -1.775 0.160 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.500 -2.778 0.453 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.960 -0.605 -0.514 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.846 -2.612 0.076 1.00 0.00 C ATOM 747 CE2 TYR A 48 -6.305 -0.440 -0.891 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.249 -1.443 -0.597 1.00 0.00 C ATOM 749 OH TYR A 48 -8.567 -1.279 -0.969 1.00 0.00 O ATOM 0 H TYR A 48 -2.356 0.012 2.506 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.782 -2.626 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.503 -1.146 0.163 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.718 -2.885 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.191 -3.676 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.237 0.165 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.569 -3.381 0.303 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.614 0.457 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.932 -0.478 -0.537 1.00 0.00 H new ATOM 759 N ASN A 49 -1.579 -3.754 2.953 1.00 0.00 N ATOM 760 CA ASN A 49 -0.271 -4.345 3.357 1.00 0.00 C ATOM 761 C ASN A 49 0.517 -4.737 2.102 1.00 0.00 C ATOM 762 O ASN A 49 0.107 -5.589 1.339 1.00 0.00 O ATOM 763 CB ASN A 49 -0.521 -5.584 4.221 1.00 0.00 C ATOM 764 CG ASN A 49 0.813 -6.243 4.570 1.00 0.00 C ATOM 765 OD1 ASN A 49 1.562 -6.625 3.695 1.00 0.00 O ATOM 766 ND2 ASN A 49 1.143 -6.394 5.825 1.00 0.00 N ATOM 0 H ASN A 49 -2.386 -4.367 3.066 1.00 0.00 H new ATOM 0 HA ASN A 49 0.303 -3.616 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.049 -5.304 5.132 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.158 -6.289 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.031 -6.833 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.513 -6.073 6.560 1.00 0.00 H new ATOM 773 N ALA A 50 1.639 -4.108 1.879 1.00 0.00 N ATOM 774 CA ALA A 50 2.456 -4.422 0.669 1.00 0.00 C ATOM 775 C ALA A 50 2.789 -5.917 0.616 1.00 0.00 C ATOM 776 O ALA A 50 2.881 -6.500 -0.445 1.00 0.00 O ATOM 777 CB ALA A 50 3.756 -3.617 0.714 1.00 0.00 C ATOM 0 H ALA A 50 2.028 -3.386 2.486 1.00 0.00 H new ATOM 0 HA ALA A 50 1.882 -4.158 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.355 -3.844 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.524 -2.552 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.316 -3.881 1.611 1.00 0.00 H new ATOM 783 N ASN A 51 2.984 -6.541 1.745 1.00 0.00 N ATOM 784 CA ASN A 51 3.325 -7.993 1.740 1.00 0.00 C ATOM 785 C ASN A 51 2.107 -8.812 1.302 1.00 0.00 C ATOM 786 O ASN A 51 2.224 -9.965 0.934 1.00 0.00 O ATOM 787 CB ASN A 51 3.754 -8.422 3.147 1.00 0.00 C ATOM 788 CG ASN A 51 4.636 -7.335 3.763 1.00 0.00 C ATOM 789 OD1 ASN A 51 5.031 -6.403 3.091 1.00 0.00 O ATOM 790 ND2 ASN A 51 4.965 -7.415 5.023 1.00 0.00 N ATOM 0 H ASN A 51 2.922 -6.111 2.668 1.00 0.00 H new ATOM 0 HA ASN A 51 4.143 -8.168 1.041 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.876 -8.591 3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.299 -9.365 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.553 -6.695 5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.634 -8.197 5.588 1.00 0.00 H new ATOM 797 N SER A 52 0.939 -8.230 1.341 1.00 0.00 N ATOM 798 CA SER A 52 -0.288 -8.976 0.931 1.00 0.00 C ATOM 799 C SER A 52 -0.538 -8.785 -0.570 1.00 0.00 C ATOM 800 O SER A 52 -1.302 -9.511 -1.176 1.00 0.00 O ATOM 801 CB SER A 52 -1.481 -8.446 1.723 1.00 0.00 C ATOM 802 OG SER A 52 -1.311 -8.768 3.097 1.00 0.00 O ATOM 0 H SER A 52 0.780 -7.268 1.640 1.00 0.00 H new ATOM 0 HA SER A 52 -0.154 -10.038 1.134 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.565 -7.366 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.406 -8.883 1.347 1.00 0.00 H new ATOM 0 HG SER A 52 -2.139 -8.573 3.584 1.00 0.00 H new ATOM 808 N LEU A 53 0.099 -7.818 -1.176 1.00 0.00 N ATOM 809 CA LEU A 53 -0.105 -7.589 -2.637 1.00 0.00 C ATOM 810 C LEU A 53 0.494 -8.774 -3.423 1.00 0.00 C ATOM 811 O LEU A 53 1.463 -9.355 -2.977 1.00 0.00 O ATOM 812 CB LEU A 53 0.611 -6.295 -3.044 1.00 0.00 C ATOM 813 CG LEU A 53 0.019 -5.100 -2.287 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.803 -3.839 -2.658 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.464 -4.911 -2.664 1.00 0.00 C ATOM 0 H LEU A 53 0.751 -7.177 -0.723 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.170 -7.506 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.677 -6.378 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.512 -6.139 -4.118 1.00 0.00 H new ATOM 0 HG LEU A 53 0.089 -5.283 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.389 -2.983 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.850 -3.967 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.729 -3.667 -3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.872 -4.059 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.547 -4.730 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.023 -5.810 -2.404 1.00 0.00 H new ATOM 827 N PRO A 54 -0.075 -9.109 -4.573 1.00 0.00 N ATOM 828 CA PRO A 54 0.451 -10.224 -5.384 1.00 0.00 C ATOM 829 C PRO A 54 1.941 -9.998 -5.676 1.00 0.00 C ATOM 830 O PRO A 54 2.590 -9.185 -5.051 1.00 0.00 O ATOM 831 CB PRO A 54 -0.393 -10.211 -6.683 1.00 0.00 C ATOM 832 CG PRO A 54 -1.428 -9.055 -6.555 1.00 0.00 C ATOM 833 CD PRO A 54 -1.258 -8.430 -5.152 1.00 0.00 C ATOM 0 HA PRO A 54 0.378 -11.187 -4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.245 -10.060 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.900 -11.166 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.264 -8.306 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.442 -9.433 -6.686 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.104 -7.353 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.145 -8.589 -4.538 1.00 0.00 H new ATOM 841 N VAL A 55 2.486 -10.717 -6.622 1.00 0.00 N ATOM 842 CA VAL A 55 3.932 -10.552 -6.956 1.00 0.00 C ATOM 843 C VAL A 55 4.102 -9.456 -8.010 1.00 0.00 C ATOM 844 O VAL A 55 5.040 -8.684 -7.970 1.00 0.00 O ATOM 845 CB VAL A 55 4.471 -11.867 -7.513 1.00 0.00 C ATOM 846 CG1 VAL A 55 5.988 -11.766 -7.686 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.144 -13.006 -6.544 1.00 0.00 C ATOM 0 H VAL A 55 1.991 -11.413 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 55 4.479 -10.275 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 55 4.007 -12.067 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.372 -12.705 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.222 -10.956 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.452 -11.564 -6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.529 -13.945 -6.942 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.606 -12.805 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.063 -13.080 -6.421 1.00 0.00 H new ATOM 857 N GLU A 56 3.208 -9.384 -8.958 1.00 0.00 N ATOM 858 CA GLU A 56 3.328 -8.343 -10.018 1.00 0.00 C ATOM 859 C GLU A 56 3.344 -6.956 -9.376 1.00 0.00 C ATOM 860 O GLU A 56 4.088 -6.081 -9.779 1.00 0.00 O ATOM 861 CB GLU A 56 2.134 -8.446 -10.971 1.00 0.00 C ATOM 862 CG GLU A 56 2.138 -9.817 -11.650 1.00 0.00 C ATOM 863 CD GLU A 56 0.976 -9.899 -12.642 1.00 0.00 C ATOM 864 OE1 GLU A 56 -0.157 -9.768 -12.208 1.00 0.00 O ATOM 865 OE2 GLU A 56 1.238 -10.090 -13.817 1.00 0.00 O ATOM 0 H GLU A 56 2.400 -10.001 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 56 4.254 -8.497 -10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.204 -8.304 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.185 -7.657 -11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.084 -9.975 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.048 -10.605 -10.902 1.00 0.00 H new ATOM 872 N ALA A 57 2.533 -6.744 -8.377 1.00 0.00 N ATOM 873 CA ALA A 57 2.509 -5.410 -7.720 1.00 0.00 C ATOM 874 C ALA A 57 3.708 -5.290 -6.781 1.00 0.00 C ATOM 875 O ALA A 57 4.318 -4.247 -6.678 1.00 0.00 O ATOM 876 CB ALA A 57 1.212 -5.254 -6.923 1.00 0.00 C ATOM 0 H ALA A 57 1.889 -7.434 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 57 2.560 -4.628 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.196 -4.276 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.359 -5.342 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.156 -6.033 -6.163 1.00 0.00 H new ATOM 882 N LYS A 58 4.054 -6.347 -6.099 1.00 0.00 N ATOM 883 CA LYS A 58 5.218 -6.287 -5.169 1.00 0.00 C ATOM 884 C LYS A 58 6.420 -5.665 -5.885 1.00 0.00 C ATOM 885 O LYS A 58 6.933 -4.640 -5.482 1.00 0.00 O ATOM 886 CB LYS A 58 5.577 -7.707 -4.708 1.00 0.00 C ATOM 887 CG LYS A 58 6.455 -7.648 -3.441 1.00 0.00 C ATOM 888 CD LYS A 58 5.571 -7.565 -2.180 1.00 0.00 C ATOM 889 CE LYS A 58 5.130 -8.970 -1.743 1.00 0.00 C ATOM 890 NZ LYS A 58 6.197 -9.583 -0.901 1.00 0.00 N ATOM 0 H LYS A 58 3.581 -7.250 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 58 4.958 -5.676 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.668 -8.272 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.107 -8.232 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.091 -8.532 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.115 -6.782 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.122 -7.082 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.695 -6.948 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.197 -8.913 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.939 -9.592 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.901 -10.535 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.077 -9.650 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.358 -8.992 -0.060 1.00 0.00 H new ATOM 904 N ALA A 59 6.874 -6.279 -6.943 1.00 0.00 N ATOM 905 CA ALA A 59 8.045 -5.727 -7.681 1.00 0.00 C ATOM 906 C ALA A 59 7.790 -4.259 -8.023 1.00 0.00 C ATOM 907 O ALA A 59 8.614 -3.401 -7.770 1.00 0.00 O ATOM 908 CB ALA A 59 8.257 -6.523 -8.971 1.00 0.00 C ATOM 0 H ALA A 59 6.485 -7.139 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 59 8.935 -5.803 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.113 -6.119 -9.511 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.442 -7.569 -8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.367 -6.448 -9.595 1.00 0.00 H new ATOM 914 N ALA A 60 6.659 -3.957 -8.599 1.00 0.00 N ATOM 915 CA ALA A 60 6.366 -2.540 -8.956 1.00 0.00 C ATOM 916 C ALA A 60 6.251 -1.702 -7.679 1.00 0.00 C ATOM 917 O ALA A 60 6.434 -0.502 -7.695 1.00 0.00 O ATOM 918 CB ALA A 60 5.052 -2.469 -9.736 1.00 0.00 C ATOM 0 H ALA A 60 5.928 -4.627 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 60 7.174 -2.148 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.839 -1.432 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.137 -3.062 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.242 -2.862 -9.121 1.00 0.00 H new ATOM 924 N LEU A 61 5.948 -2.326 -6.573 1.00 0.00 N ATOM 925 CA LEU A 61 5.820 -1.568 -5.295 1.00 0.00 C ATOM 926 C LEU A 61 7.185 -1.004 -4.900 1.00 0.00 C ATOM 927 O LEU A 61 7.375 0.194 -4.821 1.00 0.00 O ATOM 928 CB LEU A 61 5.316 -2.514 -4.190 1.00 0.00 C ATOM 929 CG LEU A 61 4.623 -1.730 -3.057 1.00 0.00 C ATOM 930 CD1 LEU A 61 5.486 -0.536 -2.616 1.00 0.00 C ATOM 931 CD2 LEU A 61 3.215 -1.246 -3.516 1.00 0.00 C ATOM 0 H LEU A 61 5.783 -3.330 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 61 5.112 -0.749 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.619 -3.236 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.153 -3.081 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 61 4.500 -2.396 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.979 0.004 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.450 -0.897 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.642 0.133 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.738 -0.694 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.319 -0.597 -4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.602 -2.108 -3.778 1.00 0.00 H new ATOM 943 N LEU A 62 8.129 -1.863 -4.627 1.00 0.00 N ATOM 944 CA LEU A 62 9.478 -1.388 -4.210 1.00 0.00 C ATOM 945 C LEU A 62 9.933 -0.240 -5.116 1.00 0.00 C ATOM 946 O LEU A 62 10.447 0.759 -4.652 1.00 0.00 O ATOM 947 CB LEU A 62 10.482 -2.541 -4.303 1.00 0.00 C ATOM 948 CG LEU A 62 9.889 -3.803 -3.667 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.970 -4.882 -3.582 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.375 -3.482 -2.257 1.00 0.00 C ATOM 0 H LEU A 62 8.023 -2.876 -4.675 1.00 0.00 H new ATOM 0 HA LEU A 62 9.426 -1.032 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.733 -2.733 -5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.408 -2.269 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 62 9.060 -4.161 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.552 -5.781 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.332 -5.114 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.798 -4.521 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.954 -4.382 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.200 -3.122 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.605 -2.713 -2.317 1.00 0.00 H new ATOM 962 N LEU A 63 9.744 -0.366 -6.401 1.00 0.00 N ATOM 963 CA LEU A 63 10.164 0.730 -7.319 1.00 0.00 C ATOM 964 C LEU A 63 9.298 1.961 -7.047 1.00 0.00 C ATOM 965 O LEU A 63 9.718 3.085 -7.235 1.00 0.00 O ATOM 966 CB LEU A 63 9.983 0.285 -8.772 1.00 0.00 C ATOM 967 CG LEU A 63 10.652 -1.077 -8.983 1.00 0.00 C ATOM 968 CD1 LEU A 63 10.380 -1.562 -10.409 1.00 0.00 C ATOM 969 CD2 LEU A 63 12.167 -0.953 -8.763 1.00 0.00 C ATOM 0 H LEU A 63 9.319 -1.176 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 63 11.214 0.971 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.922 0.221 -9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.419 1.023 -9.445 1.00 0.00 H new ATOM 0 HG LEU A 63 10.244 -1.793 -8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.855 -2.531 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.305 -1.657 -10.562 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.786 -0.843 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.637 -1.925 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.580 -0.235 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.360 -0.611 -7.746 1.00 0.00 H new ATOM 981 N ARG A 64 8.091 1.752 -6.601 1.00 0.00 N ATOM 982 CA ARG A 64 7.189 2.902 -6.309 1.00 0.00 C ATOM 983 C ARG A 64 7.676 3.629 -5.041 1.00 0.00 C ATOM 984 O ARG A 64 7.739 4.841 -4.998 1.00 0.00 O ATOM 985 CB ARG A 64 5.756 2.369 -6.102 1.00 0.00 C ATOM 986 CG ARG A 64 4.718 3.408 -6.555 1.00 0.00 C ATOM 987 CD ARG A 64 4.809 4.666 -5.687 1.00 0.00 C ATOM 988 NE ARG A 64 4.945 4.284 -4.252 1.00 0.00 N ATOM 989 CZ ARG A 64 5.329 5.171 -3.375 1.00 0.00 C ATOM 990 NH1 ARG A 64 5.605 6.389 -3.754 1.00 0.00 N ATOM 991 NH2 ARG A 64 5.438 4.840 -2.117 1.00 0.00 N ATOM 0 H ARG A 64 7.689 0.831 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 64 7.197 3.607 -7.141 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.622 1.445 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.601 2.128 -5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.885 3.667 -7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.716 2.984 -6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.663 5.269 -5.994 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.919 5.280 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 64 4.738 3.330 -3.956 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.521 6.649 -4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.905 7.081 -3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.223 3.888 -1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.738 5.533 -1.431 1.00 0.00 H new ATOM 1005 N GLN A 65 8.020 2.895 -4.010 1.00 0.00 N ATOM 1006 CA GLN A 65 8.500 3.531 -2.749 1.00 0.00 C ATOM 1007 C GLN A 65 9.472 4.669 -3.063 1.00 0.00 C ATOM 1008 O GLN A 65 10.123 4.683 -4.088 1.00 0.00 O ATOM 1009 CB GLN A 65 9.213 2.480 -1.896 1.00 0.00 C ATOM 1010 CG GLN A 65 8.304 1.267 -1.704 1.00 0.00 C ATOM 1011 CD GLN A 65 9.000 0.249 -0.798 1.00 0.00 C ATOM 1012 OE1 GLN A 65 9.846 0.607 -0.002 1.00 0.00 O ATOM 1013 NE2 GLN A 65 8.679 -1.012 -0.886 1.00 0.00 N ATOM 0 H GLN A 65 7.988 1.876 -3.991 1.00 0.00 H new ATOM 0 HA GLN A 65 7.645 3.936 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 65 10.143 2.177 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.479 2.904 -0.928 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.356 1.575 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.074 0.815 -2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.969 -1.312 -1.554 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.138 -1.698 -0.287 1.00 0.00 H new ATOM 1022 N GLY A 66 9.572 5.626 -2.178 1.00 0.00 N ATOM 1023 CA GLY A 66 10.499 6.774 -2.408 1.00 0.00 C ATOM 1024 C GLY A 66 9.929 8.023 -1.733 1.00 0.00 C ATOM 1025 O GLY A 66 9.047 8.674 -2.257 1.00 0.00 O ATOM 0 H GLY A 66 9.050 5.662 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.486 6.546 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.623 6.948 -3.477 1.00 0.00 H new ATOM 1029 N GLU A 67 10.425 8.366 -0.574 1.00 0.00 N ATOM 1030 CA GLU A 67 9.906 9.575 0.127 1.00 0.00 C ATOM 1031 C GLU A 67 9.870 10.749 -0.852 1.00 0.00 C ATOM 1032 O GLU A 67 8.982 11.577 -0.809 1.00 0.00 O ATOM 1033 CB GLU A 67 10.823 9.919 1.303 1.00 0.00 C ATOM 1034 CG GLU A 67 10.807 8.771 2.314 1.00 0.00 C ATOM 1035 CD GLU A 67 11.468 9.229 3.615 1.00 0.00 C ATOM 1036 OE1 GLU A 67 12.679 9.122 3.711 1.00 0.00 O ATOM 1037 OE2 GLU A 67 10.751 9.678 4.494 1.00 0.00 O ATOM 0 H GLU A 67 11.165 7.863 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 67 8.901 9.377 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.839 10.091 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.491 10.842 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.781 8.455 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.336 7.908 1.909 1.00 0.00 H new ATOM 1044 N ILE A 68 10.829 10.819 -1.737 1.00 0.00 N ATOM 1045 CA ILE A 68 10.865 11.929 -2.737 1.00 0.00 C ATOM 1046 C ILE A 68 10.819 13.289 -2.029 1.00 0.00 C ATOM 1047 O ILE A 68 10.876 14.327 -2.659 1.00 0.00 O ATOM 1048 CB ILE A 68 9.666 11.787 -3.688 1.00 0.00 C ATOM 1049 CG1 ILE A 68 9.820 10.489 -4.518 1.00 0.00 C ATOM 1050 CG2 ILE A 68 9.598 13.005 -4.625 1.00 0.00 C ATOM 1051 CD1 ILE A 68 8.440 9.959 -4.929 1.00 0.00 C ATOM 0 H ILE A 68 11.595 10.150 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 68 11.793 11.872 -3.306 1.00 0.00 H new ATOM 0 HB ILE A 68 8.745 11.736 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.422 10.685 -5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.349 9.735 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.746 12.900 -5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.483 13.913 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 68 10.516 13.066 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.560 9.046 -5.512 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.852 9.745 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.927 10.709 -5.531 1.00 0.00 H new ATOM 1063 N GLU A 69 10.731 13.300 -0.724 1.00 0.00 N ATOM 1064 CA GLU A 69 10.695 14.597 0.018 1.00 0.00 C ATOM 1065 C GLU A 69 12.118 14.984 0.416 1.00 0.00 C ATOM 1066 O GLU A 69 12.518 16.127 0.308 1.00 0.00 O ATOM 1067 CB GLU A 69 9.839 14.438 1.278 1.00 0.00 C ATOM 1068 CG GLU A 69 9.618 15.808 1.923 1.00 0.00 C ATOM 1069 CD GLU A 69 8.613 15.676 3.070 1.00 0.00 C ATOM 1070 OE1 GLU A 69 9.013 15.233 4.134 1.00 0.00 O ATOM 1071 OE2 GLU A 69 7.461 16.020 2.864 1.00 0.00 O ATOM 0 H GLU A 69 10.682 12.466 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 69 10.266 15.373 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.881 13.985 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.332 13.768 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.563 16.202 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.248 16.516 1.181 1.00 0.00 H new ATOM 1078 N THR A 70 12.886 14.037 0.873 1.00 0.00 N ATOM 1079 CA THR A 70 14.287 14.335 1.279 1.00 0.00 C ATOM 1080 C THR A 70 15.086 13.034 1.341 1.00 0.00 C ATOM 1081 O THR A 70 14.566 11.961 1.105 1.00 0.00 O ATOM 1082 CB THR A 70 14.289 14.995 2.657 1.00 0.00 C ATOM 1083 OG1 THR A 70 15.620 15.053 3.151 1.00 0.00 O ATOM 1084 CG2 THR A 70 13.420 14.182 3.618 1.00 0.00 C ATOM 0 H THR A 70 12.602 13.063 0.984 1.00 0.00 H new ATOM 0 HA THR A 70 14.740 15.008 0.551 1.00 0.00 H new ATOM 0 HB THR A 70 13.887 16.005 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 70 15.623 15.478 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.423 14.655 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.399 14.140 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.818 13.171 3.701 1.00 0.00 H new ATOM 1092 N SER A 71 16.348 13.119 1.661 1.00 0.00 N ATOM 1093 CA SER A 71 17.187 11.888 1.742 1.00 0.00 C ATOM 1094 C SER A 71 16.936 11.010 0.512 1.00 0.00 C ATOM 1095 O SER A 71 16.128 10.104 0.540 1.00 0.00 O ATOM 1096 CB SER A 71 16.822 11.108 3.005 1.00 0.00 C ATOM 1097 OG SER A 71 16.973 11.952 4.139 1.00 0.00 O ATOM 0 H SER A 71 16.836 13.990 1.871 1.00 0.00 H new ATOM 0 HA SER A 71 18.239 12.170 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 71 15.795 10.748 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.462 10.231 3.102 1.00 0.00 H new ATOM 0 HG SER A 71 16.738 11.455 4.950 1.00 0.00 H new ATOM 1103 N LEU A 72 17.626 11.269 -0.566 1.00 0.00 N ATOM 1104 CA LEU A 72 17.429 10.449 -1.796 1.00 0.00 C ATOM 1105 C LEU A 72 18.683 10.534 -2.669 1.00 0.00 C ATOM 1106 O LEU A 72 19.634 11.218 -2.346 1.00 0.00 O ATOM 1107 CB LEU A 72 16.205 10.965 -2.572 1.00 0.00 C ATOM 1108 CG LEU A 72 16.096 12.486 -2.432 1.00 0.00 C ATOM 1109 CD1 LEU A 72 17.397 13.146 -2.899 1.00 0.00 C ATOM 1110 CD2 LEU A 72 14.933 12.988 -3.291 1.00 0.00 C ATOM 0 H LEU A 72 18.318 12.014 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 72 17.257 9.409 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.291 10.694 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.299 10.491 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 72 15.921 12.742 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 72 17.313 14.228 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 72 18.226 12.787 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 72 17.579 12.893 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 72 14.851 14.071 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 72 15.113 12.729 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 72 14.006 12.523 -2.956 1.00 0.00 H new ATOM 1122 N GLY A 73 18.692 9.834 -3.771 1.00 0.00 N ATOM 1123 CA GLY A 73 19.880 9.855 -4.676 1.00 0.00 C ATOM 1124 C GLY A 73 20.098 8.450 -5.232 1.00 0.00 C ATOM 1125 O GLY A 73 21.123 8.153 -5.813 1.00 0.00 O ATOM 0 H GLY A 73 17.922 9.244 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 73 19.722 10.563 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 73 20.764 10.187 -4.131 1.00 0.00 H new ATOM 1129 N TYR A 74 19.139 7.581 -5.047 1.00 0.00 N ATOM 1130 CA TYR A 74 19.272 6.183 -5.554 1.00 0.00 C ATOM 1131 C TYR A 74 20.422 5.489 -4.822 1.00 0.00 C ATOM 1132 O TYR A 74 20.938 4.483 -5.265 1.00 0.00 O ATOM 1133 CB TYR A 74 19.545 6.196 -7.066 1.00 0.00 C ATOM 1134 CG TYR A 74 19.211 4.845 -7.656 1.00 0.00 C ATOM 1135 CD1 TYR A 74 17.881 4.535 -8.002 1.00 0.00 C ATOM 1136 CD2 TYR A 74 20.231 3.896 -7.862 1.00 0.00 C ATOM 1137 CE1 TYR A 74 17.572 3.276 -8.552 1.00 0.00 C ATOM 1138 CE2 TYR A 74 19.922 2.637 -8.413 1.00 0.00 C ATOM 1139 CZ TYR A 74 18.592 2.328 -8.758 1.00 0.00 C ATOM 1140 OH TYR A 74 18.289 1.094 -9.298 1.00 0.00 O ATOM 0 H TYR A 74 18.264 7.781 -4.563 1.00 0.00 H new ATOM 0 HA TYR A 74 18.344 5.641 -5.371 1.00 0.00 H new ATOM 0 HB2 TYR A 74 18.948 6.971 -7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 74 20.591 6.437 -7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.099 5.263 -7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 74 21.251 4.134 -7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.552 3.038 -8.816 1.00 0.00 H new ATOM 0 HE2 TYR A 74 20.704 1.909 -8.571 1.00 0.00 H new ATOM 0 HH TYR A 74 19.107 0.560 -9.374 1.00 0.00 H new ATOM 1150 N PHE A 75 20.825 6.022 -3.698 1.00 0.00 N ATOM 1151 CA PHE A 75 21.940 5.402 -2.921 1.00 0.00 C ATOM 1152 C PHE A 75 21.661 5.566 -1.425 1.00 0.00 C ATOM 1153 O PHE A 75 22.486 5.250 -0.592 1.00 0.00 O ATOM 1154 CB PHE A 75 23.256 6.097 -3.277 1.00 0.00 C ATOM 1155 CG PHE A 75 24.364 5.561 -2.401 1.00 0.00 C ATOM 1156 CD1 PHE A 75 24.964 4.324 -2.704 1.00 0.00 C ATOM 1157 CD2 PHE A 75 24.795 6.297 -1.280 1.00 0.00 C ATOM 1158 CE1 PHE A 75 25.996 3.822 -1.887 1.00 0.00 C ATOM 1159 CE2 PHE A 75 25.827 5.796 -0.463 1.00 0.00 C ATOM 1160 CZ PHE A 75 26.428 4.559 -0.767 1.00 0.00 C ATOM 0 H PHE A 75 20.428 6.865 -3.283 1.00 0.00 H new ATOM 0 HA PHE A 75 22.015 4.342 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 75 23.495 5.929 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 75 23.159 7.174 -3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 75 24.633 3.760 -3.563 1.00 0.00 H new ATOM 0 HD2 PHE A 75 24.334 7.246 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 75 26.456 2.873 -2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 75 26.158 6.360 0.397 1.00 0.00 H new ATOM 0 HZ PHE A 75 27.220 4.175 -0.141 1.00 0.00 H new ATOM 1170 N GLU A 76 20.501 6.057 -1.077 1.00 0.00 N ATOM 1171 CA GLU A 76 20.169 6.240 0.365 1.00 0.00 C ATOM 1172 C GLU A 76 21.323 6.956 1.070 1.00 0.00 C ATOM 1173 O GLU A 76 22.147 6.340 1.717 1.00 0.00 O ATOM 1174 CB GLU A 76 19.947 4.871 1.013 1.00 0.00 C ATOM 1175 CG GLU A 76 18.912 4.085 0.205 1.00 0.00 C ATOM 1176 CD GLU A 76 17.582 4.839 0.208 1.00 0.00 C ATOM 1177 OE1 GLU A 76 17.398 5.683 -0.653 1.00 0.00 O ATOM 1178 OE2 GLU A 76 16.767 4.559 1.073 1.00 0.00 O ATOM 1179 OXT GLU A 76 21.388 8.255 0.953 1.00 0.00 O ATOM 0 H GLU A 76 19.770 6.339 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 76 19.262 6.838 0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.886 4.320 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.604 4.994 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.262 3.948 -0.818 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.780 3.091 0.633 1.00 0.00 H new TER 1186 GLU A 76