USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 30:sc= -1.29! USER MOD Set 1.2: A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -163:sc= -4.87! USER MOD Set 2.2: A 106 GLN : amide:sc= -1.94 K(o=-6.8,f=-7.5!) USER MOD Single : A 27 THR OG1 : rot -150:sc= -4.21! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.707 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 SER OG : rot 82:sc= 1.31 USER MOD Single : A 46 LYS NZ :NH3+ -95:sc= -0.132 (180deg=-1.07) USER MOD Single : A 48 CYS SG : rot -47:sc= -10.4! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -4.16! (180deg=-4.92!) USER MOD Single : A 66 THR OG1 : rot -50:sc= 0.929 USER MOD Single : A 71 ASN : amide:sc= -1.96 K(o=-2,f=-2.9!) USER MOD Single : A 72 CYS SG : rot 27:sc= -2.59! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 86:sc= 0.278 USER MOD Single : A 82 ASN : amide:sc= -4.57! K(o=-4.6!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-0.7) USER MOD Single : A 87 GLN : amide:sc= -6.77! C(o=-6.8!,f=-6.1!) USER MOD Single : A 88 ASN : amide:sc= -0.704 K(o=-0.7,f=-1.2!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -47:sc= 0.994 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 106:sc= 1.21 USER MOD Single : A 101 LYS NZ :NH3+ -124:sc=-0.000656 (180deg=-0.234) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.772 K(o=-0.77,f=-4!) USER MOD Single : A 111 GLN : amide:sc= -2.68 K(o=-2.7,f=-4.5!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.721 4.228 -5.646 1.00 0.00 N ATOM 71 CA THR A 27 -18.432 4.151 -6.301 1.00 0.00 C ATOM 72 C THR A 27 -17.519 5.253 -5.769 1.00 0.00 C ATOM 73 O THR A 27 -16.300 5.097 -5.727 1.00 0.00 O ATOM 74 CB THR A 27 -18.611 4.251 -7.820 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.489 2.976 -8.422 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.616 5.166 -8.489 1.00 0.00 C ATOM 0 HA THR A 27 -17.964 3.191 -6.084 1.00 0.00 H new ATOM 0 HB THR A 27 -19.609 4.667 -7.961 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.134 3.076 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.805 5.186 -9.562 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.718 6.173 -8.084 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.605 4.801 -8.305 1.00 0.00 H new ATOM 84 N LYS A 28 -18.123 6.360 -5.341 1.00 0.00 N ATOM 85 CA LYS A 28 -17.362 7.470 -4.787 1.00 0.00 C ATOM 86 C LYS A 28 -16.626 7.004 -3.540 1.00 0.00 C ATOM 87 O LYS A 28 -15.489 7.402 -3.284 1.00 0.00 O ATOM 88 CB LYS A 28 -18.286 8.643 -4.448 1.00 0.00 C ATOM 89 CG LYS A 28 -17.791 9.980 -4.976 1.00 0.00 C ATOM 90 CD LYS A 28 -16.582 10.473 -4.197 1.00 0.00 C ATOM 91 CE LYS A 28 -16.994 11.356 -3.030 1.00 0.00 C ATOM 92 NZ LYS A 28 -15.868 12.204 -2.550 1.00 0.00 N ATOM 0 H LYS A 28 -19.132 6.509 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.640 7.810 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.277 8.444 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.395 8.707 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.531 9.883 -6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.592 10.717 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.014 9.620 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.922 11.031 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.825 11.993 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.353 10.732 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.190 12.791 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.084 11.596 -2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -15.542 12.818 -3.323 1.00 0.00 H new ATOM 106 N GLU A 29 -17.283 6.133 -2.778 1.00 0.00 N ATOM 107 CA GLU A 29 -16.696 5.581 -1.569 1.00 0.00 C ATOM 108 C GLU A 29 -15.478 4.742 -1.926 1.00 0.00 C ATOM 109 O GLU A 29 -14.470 4.755 -1.222 1.00 0.00 O ATOM 110 CB GLU A 29 -17.722 4.728 -0.822 1.00 0.00 C ATOM 111 CG GLU A 29 -18.462 5.484 0.269 1.00 0.00 C ATOM 112 CD GLU A 29 -19.156 4.560 1.251 1.00 0.00 C ATOM 113 OE1 GLU A 29 -18.471 4.023 2.147 1.00 0.00 O ATOM 114 OE2 GLU A 29 -20.384 4.373 1.124 1.00 0.00 O ATOM 0 H GLU A 29 -18.224 5.796 -2.981 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.388 6.400 -0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.446 4.337 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.216 3.870 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.758 6.118 0.808 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.200 6.143 -0.188 1.00 0.00 H new ATOM 121 N LEU A 30 -15.579 4.020 -3.039 1.00 0.00 N ATOM 122 CA LEU A 30 -14.483 3.181 -3.508 1.00 0.00 C ATOM 123 C LEU A 30 -13.240 4.027 -3.751 1.00 0.00 C ATOM 124 O LEU A 30 -12.167 3.742 -3.220 1.00 0.00 O ATOM 125 CB LEU A 30 -14.888 2.449 -4.789 1.00 0.00 C ATOM 126 CG LEU A 30 -13.730 1.906 -5.629 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.952 0.859 -4.849 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.248 1.329 -6.938 1.00 0.00 C ATOM 0 H LEU A 30 -16.409 4.000 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.255 2.440 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.541 1.618 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.474 3.130 -5.406 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.054 2.729 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.132 0.484 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.550 1.307 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.615 0.035 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.412 0.947 -7.524 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.944 0.517 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.760 2.109 -7.502 1.00 0.00 H new ATOM 140 N SER A 31 -13.398 5.081 -4.547 1.00 0.00 N ATOM 141 CA SER A 31 -12.291 5.982 -4.845 1.00 0.00 C ATOM 142 C SER A 31 -11.684 6.508 -3.547 1.00 0.00 C ATOM 143 O SER A 31 -10.512 6.879 -3.504 1.00 0.00 O ATOM 144 CB SER A 31 -12.770 7.149 -5.711 1.00 0.00 C ATOM 145 OG SER A 31 -13.062 6.719 -7.029 1.00 0.00 O ATOM 0 H SER A 31 -14.279 5.331 -4.996 1.00 0.00 H new ATOM 0 HA SER A 31 -11.530 5.430 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.659 7.596 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.004 7.924 -5.739 1.00 0.00 H new ATOM 0 HG SER A 31 -13.368 7.482 -7.562 1.00 0.00 H new ATOM 151 N ASN A 32 -12.489 6.520 -2.484 1.00 0.00 N ATOM 152 CA ASN A 32 -12.026 6.977 -1.182 1.00 0.00 C ATOM 153 C ASN A 32 -11.042 5.967 -0.607 1.00 0.00 C ATOM 154 O ASN A 32 -10.022 6.337 -0.026 1.00 0.00 O ATOM 155 CB ASN A 32 -13.209 7.174 -0.229 1.00 0.00 C ATOM 156 CG ASN A 32 -13.362 8.617 0.210 1.00 0.00 C ATOM 157 OD1 ASN A 32 -12.599 9.110 1.042 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.353 9.304 -0.348 1.00 0.00 N ATOM 0 H ASN A 32 -13.463 6.218 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.524 7.937 -1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.126 6.847 -0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -13.074 6.542 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.505 10.279 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.962 8.856 -1.033 1.00 0.00 H new ATOM 165 N LEU A 33 -11.343 4.684 -0.802 1.00 0.00 N ATOM 166 CA LEU A 33 -10.470 3.619 -0.333 1.00 0.00 C ATOM 167 C LEU A 33 -9.227 3.584 -1.205 1.00 0.00 C ATOM 168 O LEU A 33 -8.103 3.492 -0.713 1.00 0.00 O ATOM 169 CB LEU A 33 -11.184 2.264 -0.383 1.00 0.00 C ATOM 170 CG LEU A 33 -12.681 2.299 -0.069 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.351 1.015 -0.526 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.910 2.527 1.417 1.00 0.00 C ATOM 0 H LEU A 33 -12.184 4.361 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.194 3.814 0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.048 1.837 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.698 1.590 0.322 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.128 3.130 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.415 1.058 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.218 0.898 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.901 0.166 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.981 2.549 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.449 1.719 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.465 3.477 1.712 1.00 0.00 H new ATOM 184 N ILE A 34 -9.448 3.689 -2.509 1.00 0.00 N ATOM 185 CA ILE A 34 -8.362 3.703 -3.473 1.00 0.00 C ATOM 186 C ILE A 34 -7.488 4.930 -3.245 1.00 0.00 C ATOM 187 O ILE A 34 -6.261 4.837 -3.226 1.00 0.00 O ATOM 188 CB ILE A 34 -8.915 3.717 -4.914 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.510 2.355 -5.264 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.838 4.102 -5.919 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.205 2.328 -6.605 1.00 0.00 C ATOM 0 H ILE A 34 -10.377 3.766 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.765 2.801 -3.338 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.701 4.471 -4.965 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.716 1.609 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.221 2.068 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.261 4.102 -6.924 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.460 5.097 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.021 3.383 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.603 1.330 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.021 3.051 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.493 2.584 -7.389 1.00 0.00 H new ATOM 203 N GLU A 35 -8.133 6.079 -3.064 1.00 0.00 N ATOM 204 CA GLU A 35 -7.418 7.325 -2.827 1.00 0.00 C ATOM 205 C GLU A 35 -6.453 7.162 -1.661 1.00 0.00 C ATOM 206 O GLU A 35 -5.363 7.736 -1.655 1.00 0.00 O ATOM 207 CB GLU A 35 -8.402 8.461 -2.542 1.00 0.00 C ATOM 208 CG GLU A 35 -8.947 9.123 -3.797 1.00 0.00 C ATOM 209 CD GLU A 35 -8.096 10.289 -4.257 1.00 0.00 C ATOM 210 OE1 GLU A 35 -7.155 10.062 -5.047 1.00 0.00 O ATOM 211 OE2 GLU A 35 -8.368 11.430 -3.828 1.00 0.00 O ATOM 0 H GLU A 35 -9.149 6.171 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.850 7.575 -3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.234 8.071 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.907 9.215 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.007 8.384 -4.596 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.962 9.471 -3.608 1.00 0.00 H new ATOM 218 N THR A 36 -6.851 6.351 -0.685 1.00 0.00 N ATOM 219 CA THR A 36 -6.009 6.090 0.469 1.00 0.00 C ATOM 220 C THR A 36 -4.941 5.079 0.083 1.00 0.00 C ATOM 221 O THR A 36 -3.784 5.194 0.484 1.00 0.00 O ATOM 222 CB THR A 36 -6.853 5.589 1.652 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.510 6.284 2.837 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.705 4.108 1.935 1.00 0.00 C ATOM 0 H THR A 36 -7.749 5.867 -0.674 1.00 0.00 H new ATOM 0 HA THR A 36 -5.524 7.013 0.786 1.00 0.00 H new ATOM 0 HB THR A 36 -7.886 5.776 1.357 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.058 5.954 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.333 3.835 2.783 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.012 3.538 1.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.664 3.884 2.167 1.00 0.00 H new ATOM 232 N PHE A 37 -5.339 4.100 -0.726 1.00 0.00 N ATOM 233 CA PHE A 37 -4.414 3.082 -1.196 1.00 0.00 C ATOM 234 C PHE A 37 -3.311 3.742 -2.006 1.00 0.00 C ATOM 235 O PHE A 37 -2.139 3.398 -1.877 1.00 0.00 O ATOM 236 CB PHE A 37 -5.143 2.044 -2.050 1.00 0.00 C ATOM 237 CG PHE A 37 -4.404 0.739 -2.194 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.519 0.292 -1.217 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.592 -0.040 -3.322 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.842 -0.903 -1.373 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.919 -1.234 -3.479 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.042 -1.665 -2.504 1.00 0.00 C ATOM 0 H PHE A 37 -6.294 3.994 -1.067 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.981 2.572 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.121 1.849 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.317 2.462 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.360 0.885 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.275 0.291 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.157 -1.239 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.078 -1.831 -4.365 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.513 -2.598 -2.627 1.00 0.00 H new ATOM 252 N ALA A 38 -3.699 4.715 -2.827 1.00 0.00 N ATOM 253 CA ALA A 38 -2.742 5.450 -3.638 1.00 0.00 C ATOM 254 C ALA A 38 -1.724 6.132 -2.736 1.00 0.00 C ATOM 255 O ALA A 38 -0.534 6.181 -3.045 1.00 0.00 O ATOM 256 CB ALA A 38 -3.454 6.472 -4.511 1.00 0.00 C ATOM 0 H ALA A 38 -4.668 5.010 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.222 4.751 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.721 7.012 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.156 5.961 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.995 7.176 -3.879 1.00 0.00 H new ATOM 262 N GLU A 39 -2.203 6.635 -1.600 1.00 0.00 N ATOM 263 CA GLU A 39 -1.337 7.288 -0.631 1.00 0.00 C ATOM 264 C GLU A 39 -0.511 6.230 0.093 1.00 0.00 C ATOM 265 O GLU A 39 0.702 6.367 0.248 1.00 0.00 O ATOM 266 CB GLU A 39 -2.176 8.115 0.359 1.00 0.00 C ATOM 267 CG GLU A 39 -1.746 7.992 1.815 1.00 0.00 C ATOM 268 CD GLU A 39 -2.189 9.174 2.655 1.00 0.00 C ATOM 269 OE1 GLU A 39 -2.115 10.317 2.156 1.00 0.00 O ATOM 270 OE2 GLU A 39 -2.610 8.958 3.810 1.00 0.00 O ATOM 0 H GLU A 39 -3.186 6.601 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.660 7.972 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.128 9.164 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.219 7.809 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.160 7.076 2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.661 7.903 1.863 1.00 0.00 H new ATOM 277 N GLN A 40 -1.183 5.162 0.512 1.00 0.00 N ATOM 278 CA GLN A 40 -0.525 4.061 1.195 1.00 0.00 C ATOM 279 C GLN A 40 0.533 3.448 0.285 1.00 0.00 C ATOM 280 O GLN A 40 1.601 3.038 0.740 1.00 0.00 O ATOM 281 CB GLN A 40 -1.550 2.997 1.596 1.00 0.00 C ATOM 282 CG GLN A 40 -2.618 3.505 2.551 1.00 0.00 C ATOM 283 CD GLN A 40 -2.189 3.421 4.001 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.006 3.262 4.304 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.152 3.526 4.907 1.00 0.00 N ATOM 0 H GLN A 40 -2.188 5.039 0.388 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.045 4.441 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.032 2.613 0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.029 2.160 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.857 4.540 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.531 2.925 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.119 3.657 4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.925 3.476 5.900 1.00 0.00 H new ATOM 294 N SER A 41 0.229 3.407 -1.012 1.00 0.00 N ATOM 295 CA SER A 41 1.153 2.865 -1.999 1.00 0.00 C ATOM 296 C SER A 41 2.446 3.664 -1.983 1.00 0.00 C ATOM 297 O SER A 41 3.536 3.104 -1.867 1.00 0.00 O ATOM 298 CB SER A 41 0.529 2.901 -3.395 1.00 0.00 C ATOM 299 OG SER A 41 -0.574 2.015 -3.484 1.00 0.00 O ATOM 0 H SER A 41 -0.652 3.744 -1.401 1.00 0.00 H new ATOM 0 HA SER A 41 1.369 1.827 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.204 3.916 -3.625 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.278 2.630 -4.139 1.00 0.00 H new ATOM 0 HG SER A 41 -1.370 2.445 -3.109 1.00 0.00 H new ATOM 305 N ARG A 42 2.314 4.984 -2.067 1.00 0.00 N ATOM 306 CA ARG A 42 3.476 5.862 -2.028 1.00 0.00 C ATOM 307 C ARG A 42 4.132 5.754 -0.661 1.00 0.00 C ATOM 308 O ARG A 42 5.345 5.893 -0.525 1.00 0.00 O ATOM 309 CB ARG A 42 3.086 7.320 -2.303 1.00 0.00 C ATOM 310 CG ARG A 42 1.860 7.481 -3.188 1.00 0.00 C ATOM 311 CD ARG A 42 2.058 8.575 -4.225 1.00 0.00 C ATOM 312 NE ARG A 42 1.381 8.265 -5.482 1.00 0.00 N ATOM 313 CZ ARG A 42 1.693 8.822 -6.651 1.00 0.00 C ATOM 314 NH1 ARG A 42 2.667 9.720 -6.727 1.00 0.00 N ATOM 315 NH2 ARG A 42 1.028 8.480 -7.746 1.00 0.00 N ATOM 0 H ARG A 42 1.420 5.466 -2.162 1.00 0.00 H new ATOM 0 HA ARG A 42 4.173 5.551 -2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.902 7.821 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.929 7.827 -2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.647 6.537 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.993 7.717 -2.571 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.680 9.519 -3.833 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.124 8.710 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 42 0.624 7.581 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.181 9.987 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.902 10.143 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.278 7.791 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.266 8.906 -8.641 1.00 0.00 H new ATOM 329 N VAL A 43 3.312 5.487 0.350 1.00 0.00 N ATOM 330 CA VAL A 43 3.801 5.337 1.708 1.00 0.00 C ATOM 331 C VAL A 43 4.708 4.119 1.801 1.00 0.00 C ATOM 332 O VAL A 43 5.835 4.208 2.281 1.00 0.00 O ATOM 333 CB VAL A 43 2.634 5.207 2.709 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.024 4.369 3.917 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.168 6.582 3.147 1.00 0.00 C ATOM 0 H VAL A 43 2.304 5.371 0.250 1.00 0.00 H new ATOM 0 HA VAL A 43 4.369 6.230 1.966 1.00 0.00 H new ATOM 0 HB VAL A 43 1.814 4.696 2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.177 4.299 4.600 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.309 3.369 3.590 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.865 4.837 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.344 6.479 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.993 7.110 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.832 7.146 2.277 1.00 0.00 H new ATOM 345 N LEU A 44 4.223 2.979 1.322 1.00 0.00 N ATOM 346 CA LEU A 44 5.020 1.764 1.346 1.00 0.00 C ATOM 347 C LEU A 44 6.371 2.043 0.703 1.00 0.00 C ATOM 348 O LEU A 44 7.411 1.760 1.284 1.00 0.00 O ATOM 349 CB LEU A 44 4.295 0.621 0.616 1.00 0.00 C ATOM 350 CG LEU A 44 4.189 -0.720 1.369 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.323 -1.655 0.974 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.171 -0.524 2.880 1.00 0.00 C ATOM 0 H LEU A 44 3.293 2.873 0.917 1.00 0.00 H new ATOM 0 HA LEU A 44 5.170 1.452 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.287 0.957 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.807 0.442 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 44 3.241 -1.174 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.226 -2.594 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.277 -1.850 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.279 -1.191 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.095 -1.494 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.090 -0.029 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.315 0.091 3.157 1.00 0.00 H new ATOM 364 N GLU A 45 6.348 2.641 -0.484 1.00 0.00 N ATOM 365 CA GLU A 45 7.582 2.983 -1.176 1.00 0.00 C ATOM 366 C GLU A 45 8.370 4.014 -0.366 1.00 0.00 C ATOM 367 O GLU A 45 9.597 4.075 -0.448 1.00 0.00 O ATOM 368 CB GLU A 45 7.280 3.493 -2.596 1.00 0.00 C ATOM 369 CG GLU A 45 7.322 5.005 -2.754 1.00 0.00 C ATOM 370 CD GLU A 45 7.142 5.444 -4.194 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.065 5.176 -4.766 1.00 0.00 O ATOM 372 OE2 GLU A 45 8.079 6.055 -4.750 1.00 0.00 O ATOM 0 H GLU A 45 5.495 2.896 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 45 8.197 2.088 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.998 3.050 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.293 3.138 -2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.540 5.453 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.275 5.380 -2.380 1.00 0.00 H new ATOM 379 N LYS A 46 7.656 4.814 0.427 1.00 0.00 N ATOM 380 CA LYS A 46 8.292 5.827 1.263 1.00 0.00 C ATOM 381 C LYS A 46 8.998 5.165 2.440 1.00 0.00 C ATOM 382 O LYS A 46 10.182 5.398 2.679 1.00 0.00 O ATOM 383 CB LYS A 46 7.260 6.864 1.743 1.00 0.00 C ATOM 384 CG LYS A 46 6.851 6.743 3.210 1.00 0.00 C ATOM 385 CD LYS A 46 5.875 7.833 3.614 1.00 0.00 C ATOM 386 CE LYS A 46 5.344 7.606 5.021 1.00 0.00 C ATOM 387 NZ LYS A 46 4.262 8.567 5.369 1.00 0.00 N ATOM 0 H LYS A 46 6.640 4.779 0.506 1.00 0.00 H new ATOM 0 HA LYS A 46 9.038 6.355 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.667 7.862 1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.366 6.777 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.397 5.767 3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.738 6.797 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.368 8.804 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.044 7.859 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.966 6.587 5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.160 7.704 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.668 9.377 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.801 8.901 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.559 8.095 5.973 1.00 0.00 H new ATOM 401 N GLU A 47 8.272 4.320 3.161 1.00 0.00 N ATOM 402 CA GLU A 47 8.849 3.613 4.291 1.00 0.00 C ATOM 403 C GLU A 47 9.837 2.573 3.789 1.00 0.00 C ATOM 404 O GLU A 47 10.860 2.313 4.421 1.00 0.00 O ATOM 405 CB GLU A 47 7.756 2.940 5.121 1.00 0.00 C ATOM 406 CG GLU A 47 6.952 3.899 5.982 1.00 0.00 C ATOM 407 CD GLU A 47 7.812 4.939 6.677 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.294 4.661 7.795 1.00 0.00 O ATOM 409 OE2 GLU A 47 8.002 6.032 6.103 1.00 0.00 O ATOM 0 H GLU A 47 7.290 4.110 2.983 1.00 0.00 H new ATOM 0 HA GLU A 47 9.369 4.330 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.077 2.415 4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.214 2.188 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.213 4.404 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.402 3.331 6.732 1.00 0.00 H new ATOM 416 N CYS A 48 9.524 1.991 2.635 1.00 0.00 N ATOM 417 CA CYS A 48 10.381 0.987 2.026 1.00 0.00 C ATOM 418 C CYS A 48 11.700 1.609 1.593 1.00 0.00 C ATOM 419 O CYS A 48 12.757 0.991 1.722 1.00 0.00 O ATOM 420 CB CYS A 48 9.682 0.342 0.828 1.00 0.00 C ATOM 421 SG CYS A 48 8.326 -0.767 1.276 1.00 0.00 S ATOM 0 H CYS A 48 8.679 2.201 2.103 1.00 0.00 H new ATOM 0 HA CYS A 48 10.586 0.214 2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.295 1.128 0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.418 -0.216 0.249 1.00 0.00 H new ATOM 0 HG CYS A 48 8.714 -1.565 2.226 1.00 0.00 H new ATOM 427 N THR A 49 11.645 2.845 1.096 1.00 0.00 N ATOM 428 CA THR A 49 12.859 3.530 0.675 1.00 0.00 C ATOM 429 C THR A 49 13.753 3.777 1.885 1.00 0.00 C ATOM 430 O THR A 49 14.978 3.818 1.773 1.00 0.00 O ATOM 431 CB THR A 49 12.533 4.845 -0.046 1.00 0.00 C ATOM 432 OG1 THR A 49 13.667 5.324 -0.746 1.00 0.00 O ATOM 433 CG2 THR A 49 12.063 5.957 0.870 1.00 0.00 C ATOM 0 H THR A 49 10.786 3.382 0.978 1.00 0.00 H new ATOM 0 HA THR A 49 13.391 2.896 -0.034 1.00 0.00 H new ATOM 0 HB THR A 49 11.715 4.595 -0.721 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.441 6.162 -1.201 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.854 6.850 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.156 5.643 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.840 6.178 1.602 1.00 0.00 H new ATOM 441 N LYS A 50 13.122 3.923 3.049 1.00 0.00 N ATOM 442 CA LYS A 50 13.843 4.147 4.292 1.00 0.00 C ATOM 443 C LYS A 50 14.469 2.848 4.791 1.00 0.00 C ATOM 444 O LYS A 50 15.501 2.864 5.464 1.00 0.00 O ATOM 445 CB LYS A 50 12.898 4.716 5.351 1.00 0.00 C ATOM 446 CG LYS A 50 12.433 6.129 5.044 1.00 0.00 C ATOM 447 CD LYS A 50 11.012 6.367 5.521 1.00 0.00 C ATOM 448 CE LYS A 50 10.661 7.845 5.501 1.00 0.00 C ATOM 449 NZ LYS A 50 10.770 8.461 6.852 1.00 0.00 N ATOM 0 H LYS A 50 12.108 3.889 3.153 1.00 0.00 H new ATOM 0 HA LYS A 50 14.641 4.865 4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.028 4.066 5.439 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.400 4.708 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.102 6.844 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.491 6.306 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.317 5.818 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.896 5.978 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.324 8.366 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.646 7.972 5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.522 9.469 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.119 7.981 7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.745 8.363 7.200 1.00 0.00 H new ATOM 463 N ILE A 51 13.841 1.720 4.456 1.00 0.00 N ATOM 464 CA ILE A 51 14.340 0.413 4.870 1.00 0.00 C ATOM 465 C ILE A 51 15.813 0.249 4.512 1.00 0.00 C ATOM 466 O ILE A 51 16.229 0.537 3.390 1.00 0.00 O ATOM 467 CB ILE A 51 13.530 -0.732 4.223 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.065 -0.660 4.673 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.142 -2.087 4.570 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.857 -1.006 6.129 1.00 0.00 C ATOM 0 H ILE A 51 12.987 1.688 3.900 1.00 0.00 H new ATOM 0 HA ILE A 51 14.225 0.359 5.953 1.00 0.00 H new ATOM 0 HB ILE A 51 13.564 -0.618 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.688 0.346 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.472 -1.339 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.557 -2.880 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.167 -2.128 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.140 -2.221 5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.797 -0.933 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.203 -2.023 6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.421 -0.312 6.752 1.00 0.00 H new ATOM 606 N LEU A 60 9.837 1.158 12.303 1.00 0.00 N ATOM 607 CA LEU A 60 9.437 1.361 10.919 1.00 0.00 C ATOM 608 C LEU A 60 8.914 0.055 10.331 1.00 0.00 C ATOM 609 O LEU A 60 7.770 -0.016 9.887 1.00 0.00 O ATOM 610 CB LEU A 60 10.617 1.908 10.097 1.00 0.00 C ATOM 611 CG LEU A 60 10.794 1.314 8.694 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.530 1.500 7.869 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.987 1.949 7.995 1.00 0.00 C ATOM 0 HA LEU A 60 8.634 2.097 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.497 2.987 10.000 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.535 1.739 10.660 1.00 0.00 H new ATOM 0 HG LEU A 60 10.981 0.245 8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.676 1.072 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.697 0.998 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.309 2.563 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.099 1.516 7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.828 3.024 7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.891 1.762 8.575 1.00 0.00 H new ATOM 625 N ARG A 61 9.751 -0.982 10.333 1.00 0.00 N ATOM 626 CA ARG A 61 9.342 -2.277 9.799 1.00 0.00 C ATOM 627 C ARG A 61 8.108 -2.785 10.534 1.00 0.00 C ATOM 628 O ARG A 61 7.235 -3.412 9.935 1.00 0.00 O ATOM 629 CB ARG A 61 10.472 -3.308 9.887 1.00 0.00 C ATOM 630 CG ARG A 61 11.365 -3.148 11.104 1.00 0.00 C ATOM 631 CD ARG A 61 12.724 -2.584 10.724 1.00 0.00 C ATOM 632 NE ARG A 61 13.336 -3.319 9.622 1.00 0.00 N ATOM 633 CZ ARG A 61 13.780 -4.572 9.716 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.662 -5.246 10.853 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.344 -5.151 8.667 1.00 0.00 N ATOM 0 H ARG A 61 10.704 -0.951 10.694 1.00 0.00 H new ATOM 0 HA ARG A 61 9.100 -2.139 8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.037 -4.307 9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.085 -3.237 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.884 -2.488 11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.494 -4.114 11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.615 -1.536 10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.384 -2.616 11.591 1.00 0.00 H new ATOM 0 HE ARG A 61 13.430 -2.844 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.229 -4.805 11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.005 -6.205 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.438 -4.638 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.685 -6.110 8.736 1.00 0.00 H new ATOM 649 N TYR A 62 8.024 -2.487 11.830 1.00 0.00 N ATOM 650 CA TYR A 62 6.871 -2.898 12.617 1.00 0.00 C ATOM 651 C TYR A 62 5.652 -2.122 12.152 1.00 0.00 C ATOM 652 O TYR A 62 4.622 -2.700 11.821 1.00 0.00 O ATOM 653 CB TYR A 62 7.116 -2.661 14.109 1.00 0.00 C ATOM 654 CG TYR A 62 7.371 -3.930 14.889 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.315 -4.690 15.376 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.666 -4.368 15.139 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.542 -5.851 16.090 1.00 0.00 C ATOM 658 CE2 TYR A 62 8.901 -5.529 15.852 1.00 0.00 C ATOM 659 CZ TYR A 62 7.836 -6.266 16.325 1.00 0.00 C ATOM 660 OH TYR A 62 8.066 -7.422 17.036 1.00 0.00 O ATOM 0 H TYR A 62 8.733 -1.969 12.349 1.00 0.00 H new ATOM 0 HA TYR A 62 6.703 -3.965 12.473 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.970 -1.994 14.227 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.252 -2.151 14.534 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.300 -4.368 15.194 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.502 -3.792 14.770 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.710 -6.431 16.462 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.913 -5.857 16.037 1.00 0.00 H new ATOM 0 HH TYR A 62 9.031 -7.573 17.112 1.00 0.00 H new ATOM 670 N LYS A 63 5.794 -0.805 12.096 1.00 0.00 N ATOM 671 CA LYS A 63 4.719 0.057 11.634 1.00 0.00 C ATOM 672 C LYS A 63 4.348 -0.318 10.201 1.00 0.00 C ATOM 673 O LYS A 63 3.186 -0.250 9.803 1.00 0.00 O ATOM 674 CB LYS A 63 5.163 1.524 11.718 1.00 0.00 C ATOM 675 CG LYS A 63 4.282 2.495 10.948 1.00 0.00 C ATOM 676 CD LYS A 63 5.094 3.640 10.368 1.00 0.00 C ATOM 677 CE LYS A 63 5.395 3.420 8.894 1.00 0.00 C ATOM 678 NZ LYS A 63 4.953 4.573 8.062 1.00 0.00 N ATOM 0 H LYS A 63 6.645 -0.311 12.365 1.00 0.00 H new ATOM 0 HA LYS A 63 3.841 -0.074 12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.184 1.825 12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.183 1.604 11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.771 1.966 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.511 2.892 11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.547 4.575 10.493 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.028 3.741 10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.466 3.265 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.896 2.513 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.823 4.262 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.053 4.942 8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.674 5.322 8.095 1.00 0.00 H new ATOM 692 N ILE A 64 5.354 -0.717 9.435 1.00 0.00 N ATOM 693 CA ILE A 64 5.164 -1.108 8.052 1.00 0.00 C ATOM 694 C ILE A 64 4.329 -2.387 7.938 1.00 0.00 C ATOM 695 O ILE A 64 3.323 -2.421 7.228 1.00 0.00 O ATOM 696 CB ILE A 64 6.538 -1.297 7.361 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.797 -0.142 6.394 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.640 -2.638 6.643 1.00 0.00 C ATOM 699 CD1 ILE A 64 7.914 -0.404 5.407 1.00 0.00 C ATOM 0 H ILE A 64 6.320 -0.777 9.757 1.00 0.00 H new ATOM 0 HA ILE A 64 4.616 -0.311 7.549 1.00 0.00 H new ATOM 0 HB ILE A 64 7.304 -1.295 8.136 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.881 0.069 5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.036 0.753 6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.620 -2.726 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.508 -3.447 7.362 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.865 -2.702 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.035 0.462 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.843 -0.584 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.669 -1.279 4.804 1.00 0.00 H new ATOM 711 N GLU A 65 4.766 -3.441 8.620 1.00 0.00 N ATOM 712 CA GLU A 65 4.074 -4.727 8.569 1.00 0.00 C ATOM 713 C GLU A 65 2.865 -4.778 9.502 1.00 0.00 C ATOM 714 O GLU A 65 1.931 -5.542 9.266 1.00 0.00 O ATOM 715 CB GLU A 65 5.043 -5.857 8.921 1.00 0.00 C ATOM 716 CG GLU A 65 6.029 -6.182 7.810 1.00 0.00 C ATOM 717 CD GLU A 65 5.682 -7.465 7.079 1.00 0.00 C ATOM 718 OE1 GLU A 65 4.746 -7.443 6.252 1.00 0.00 O ATOM 719 OE2 GLU A 65 6.348 -8.491 7.332 1.00 0.00 O ATOM 0 H GLU A 65 5.595 -3.431 9.214 1.00 0.00 H new ATOM 0 HA GLU A 65 3.707 -4.853 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.597 -5.583 9.818 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.471 -6.753 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.053 -5.357 7.098 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.030 -6.268 8.232 1.00 0.00 H new ATOM 726 N THR A 66 2.894 -3.993 10.573 1.00 0.00 N ATOM 727 CA THR A 66 1.807 -3.989 11.536 1.00 0.00 C ATOM 728 C THR A 66 0.854 -2.807 11.342 1.00 0.00 C ATOM 729 O THR A 66 -0.178 -2.732 12.010 1.00 0.00 O ATOM 730 CB THR A 66 2.377 -3.965 12.952 1.00 0.00 C ATOM 731 OG1 THR A 66 2.730 -2.647 13.334 1.00 0.00 O ATOM 732 CG2 THR A 66 3.599 -4.843 13.132 1.00 0.00 C ATOM 0 H THR A 66 3.658 -3.354 10.793 1.00 0.00 H new ATOM 0 HA THR A 66 1.228 -4.899 11.376 1.00 0.00 H new ATOM 0 HB THR A 66 1.579 -4.357 13.583 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.281 -2.240 12.633 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.948 -4.775 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.341 -5.877 12.904 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.389 -4.510 12.459 1.00 0.00 H new ATOM 740 N GLU A 67 1.189 -1.878 10.445 1.00 0.00 N ATOM 741 CA GLU A 67 0.326 -0.719 10.219 1.00 0.00 C ATOM 742 C GLU A 67 0.170 -0.387 8.730 1.00 0.00 C ATOM 743 O GLU A 67 -0.944 -0.151 8.262 1.00 0.00 O ATOM 744 CB GLU A 67 0.854 0.497 11.003 1.00 0.00 C ATOM 745 CG GLU A 67 0.929 1.789 10.199 1.00 0.00 C ATOM 746 CD GLU A 67 1.119 3.011 11.076 1.00 0.00 C ATOM 747 OE1 GLU A 67 0.818 2.926 12.286 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.568 4.052 10.554 1.00 0.00 O ATOM 0 H GLU A 67 2.034 -1.903 9.874 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.668 -0.974 10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.212 0.661 11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.849 0.263 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.754 1.724 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.015 1.903 9.616 1.00 0.00 H new ATOM 755 N LEU A 68 1.276 -0.350 7.990 1.00 0.00 N ATOM 756 CA LEU A 68 1.213 -0.022 6.566 1.00 0.00 C ATOM 757 C LEU A 68 0.606 -1.166 5.755 1.00 0.00 C ATOM 758 O LEU A 68 -0.605 -1.196 5.537 1.00 0.00 O ATOM 759 CB LEU A 68 2.599 0.339 6.023 1.00 0.00 C ATOM 760 CG LEU A 68 3.160 1.681 6.502 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.418 2.040 5.725 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.116 2.780 6.363 1.00 0.00 C ATOM 0 H LEU A 68 2.213 -0.540 8.345 1.00 0.00 H new ATOM 0 HA LEU A 68 0.564 0.847 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.298 -0.449 6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.553 0.351 4.934 1.00 0.00 H new ATOM 0 HG LEU A 68 3.420 1.587 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.803 2.996 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.172 1.267 5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.181 2.114 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.535 3.725 6.709 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.823 2.874 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.242 2.529 6.963 1.00 0.00 H new ATOM 774 N ILE A 69 1.449 -2.099 5.301 1.00 0.00 N ATOM 775 CA ILE A 69 0.991 -3.239 4.504 1.00 0.00 C ATOM 776 C ILE A 69 -0.381 -3.745 4.966 1.00 0.00 C ATOM 777 O ILE A 69 -1.310 -3.840 4.164 1.00 0.00 O ATOM 778 CB ILE A 69 2.023 -4.396 4.536 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.145 -4.126 3.529 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.361 -5.737 4.236 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.456 -3.728 4.165 1.00 0.00 C ATOM 0 H ILE A 69 2.454 -2.086 5.473 1.00 0.00 H new ATOM 0 HA ILE A 69 0.892 -2.886 3.477 1.00 0.00 H new ATOM 0 HB ILE A 69 2.444 -4.446 5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.302 -5.020 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.827 -3.335 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.111 -6.528 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.592 -5.938 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.907 -5.705 3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.200 -3.554 3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.317 -2.815 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.799 -4.527 4.823 1.00 0.00 H new ATOM 793 N PRO A 70 -0.534 -4.073 6.261 1.00 0.00 N ATOM 794 CA PRO A 70 -1.805 -4.562 6.800 1.00 0.00 C ATOM 795 C PRO A 70 -2.973 -3.654 6.432 1.00 0.00 C ATOM 796 O PRO A 70 -4.076 -4.125 6.160 1.00 0.00 O ATOM 797 CB PRO A 70 -1.591 -4.562 8.322 1.00 0.00 C ATOM 798 CG PRO A 70 -0.318 -3.816 8.549 1.00 0.00 C ATOM 799 CD PRO A 70 0.498 -3.997 7.303 1.00 0.00 C ATOM 0 HA PRO A 70 -2.059 -5.543 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.424 -4.081 8.835 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.523 -5.579 8.708 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.513 -2.760 8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.210 -4.203 9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.181 -3.163 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.104 -4.902 7.342 1.00 0.00 H new ATOM 807 N ASN A 71 -2.721 -2.349 6.426 1.00 0.00 N ATOM 808 CA ASN A 71 -3.751 -1.374 6.092 1.00 0.00 C ATOM 809 C ASN A 71 -3.866 -1.193 4.583 1.00 0.00 C ATOM 810 O ASN A 71 -4.964 -1.016 4.054 1.00 0.00 O ATOM 811 CB ASN A 71 -3.447 -0.030 6.758 1.00 0.00 C ATOM 812 CG ASN A 71 -3.715 -0.051 8.250 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.382 -0.951 8.760 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.196 0.945 8.958 1.00 0.00 N ATOM 0 H ASN A 71 -1.812 -1.943 6.649 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.703 -1.750 6.466 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.403 0.232 6.583 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.053 0.748 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.344 0.985 9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.649 1.670 8.494 1.00 0.00 H new ATOM 821 N CYS A 72 -2.732 -1.243 3.891 1.00 0.00 N ATOM 822 CA CYS A 72 -2.724 -1.089 2.442 1.00 0.00 C ATOM 823 C CYS A 72 -3.503 -2.222 1.792 1.00 0.00 C ATOM 824 O CYS A 72 -4.454 -1.988 1.047 1.00 0.00 O ATOM 825 CB CYS A 72 -1.291 -1.061 1.899 1.00 0.00 C ATOM 826 SG CYS A 72 -0.128 -0.102 2.897 1.00 0.00 S ATOM 0 H CYS A 72 -1.812 -1.388 4.308 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.200 -0.139 2.199 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.925 -2.085 1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.307 -0.651 0.889 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.534 -0.076 4.132 1.00 0.00 H new ATOM 832 N THR A 73 -3.104 -3.454 2.091 1.00 0.00 N ATOM 833 CA THR A 73 -3.783 -4.618 1.544 1.00 0.00 C ATOM 834 C THR A 73 -5.216 -4.667 2.058 1.00 0.00 C ATOM 835 O THR A 73 -6.148 -4.930 1.300 1.00 0.00 O ATOM 836 CB THR A 73 -3.031 -5.900 1.911 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.367 -6.950 1.021 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.311 -6.383 3.316 1.00 0.00 C ATOM 0 H THR A 73 -2.319 -3.669 2.705 1.00 0.00 H new ATOM 0 HA THR A 73 -3.803 -4.539 0.457 1.00 0.00 H new ATOM 0 HB THR A 73 -1.974 -5.642 1.840 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.875 -7.760 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.745 -7.295 3.507 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.014 -5.615 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.376 -6.588 3.425 1.00 0.00 H new ATOM 846 N SER A 74 -5.395 -4.378 3.346 1.00 0.00 N ATOM 847 CA SER A 74 -6.729 -4.359 3.932 1.00 0.00 C ATOM 848 C SER A 74 -7.596 -3.377 3.157 1.00 0.00 C ATOM 849 O SER A 74 -8.807 -3.556 3.026 1.00 0.00 O ATOM 850 CB SER A 74 -6.669 -3.960 5.407 1.00 0.00 C ATOM 851 OG SER A 74 -7.947 -3.574 5.884 1.00 0.00 O ATOM 0 H SER A 74 -4.640 -4.156 3.996 1.00 0.00 H new ATOM 0 HA SER A 74 -7.160 -5.358 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.294 -4.796 5.998 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.966 -3.137 5.536 1.00 0.00 H new ATOM 0 HG SER A 74 -7.882 -3.325 6.830 1.00 0.00 H new ATOM 857 N VAL A 75 -6.944 -2.348 2.622 1.00 0.00 N ATOM 858 CA VAL A 75 -7.615 -1.335 1.828 1.00 0.00 C ATOM 859 C VAL A 75 -8.023 -1.928 0.477 1.00 0.00 C ATOM 860 O VAL A 75 -9.016 -1.514 -0.121 1.00 0.00 O ATOM 861 CB VAL A 75 -6.693 -0.096 1.652 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.504 0.288 0.194 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.224 1.086 2.449 1.00 0.00 C ATOM 0 H VAL A 75 -5.941 -2.197 2.729 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.518 -1.005 2.342 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.713 -0.375 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.852 1.159 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.053 -0.544 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.472 0.525 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.564 1.943 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.225 1.340 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.264 0.824 3.506 1.00 0.00 H new ATOM 873 N ARG A 76 -7.264 -2.928 0.023 1.00 0.00 N ATOM 874 CA ARG A 76 -7.560 -3.610 -1.232 1.00 0.00 C ATOM 875 C ARG A 76 -8.848 -4.402 -1.087 1.00 0.00 C ATOM 876 O ARG A 76 -9.802 -4.202 -1.836 1.00 0.00 O ATOM 877 CB ARG A 76 -6.427 -4.568 -1.607 1.00 0.00 C ATOM 878 CG ARG A 76 -5.116 -3.883 -1.949 1.00 0.00 C ATOM 879 CD ARG A 76 -4.005 -4.901 -2.159 1.00 0.00 C ATOM 880 NE ARG A 76 -4.366 -5.906 -3.156 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.540 -6.858 -3.581 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.305 -6.940 -3.100 1.00 0.00 N ATOM 883 NH2 ARG A 76 -3.948 -7.732 -4.491 1.00 0.00 N ATOM 0 H ARG A 76 -6.440 -3.281 0.509 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.665 -2.860 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.259 -5.255 -0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.743 -5.169 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.240 -3.284 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.840 -3.199 -1.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.097 -4.387 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.780 -5.393 -1.213 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.307 -5.876 -3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.985 -6.271 -2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.677 -7.673 -3.430 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.895 -7.674 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.315 -8.462 -4.817 1.00 0.00 H new ATOM 897 N ASP A 77 -8.868 -5.303 -0.103 1.00 0.00 N ATOM 898 CA ASP A 77 -10.042 -6.128 0.160 1.00 0.00 C ATOM 899 C ASP A 77 -11.295 -5.263 0.193 1.00 0.00 C ATOM 900 O ASP A 77 -12.365 -5.678 -0.251 1.00 0.00 O ATOM 901 CB ASP A 77 -9.883 -6.874 1.487 1.00 0.00 C ATOM 902 CG ASP A 77 -10.417 -8.292 1.422 1.00 0.00 C ATOM 903 OD1 ASP A 77 -11.654 -8.461 1.426 1.00 0.00 O ATOM 904 OD2 ASP A 77 -9.597 -9.232 1.366 1.00 0.00 O ATOM 0 H ASP A 77 -8.082 -5.478 0.524 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.139 -6.860 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.829 -6.898 1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.405 -6.328 2.272 1.00 0.00 H new ATOM 909 N LYS A 78 -11.142 -4.046 0.705 1.00 0.00 N ATOM 910 CA LYS A 78 -12.248 -3.106 0.777 1.00 0.00 C ATOM 911 C LYS A 78 -12.649 -2.680 -0.628 1.00 0.00 C ATOM 912 O LYS A 78 -13.834 -2.590 -0.953 1.00 0.00 O ATOM 913 CB LYS A 78 -11.854 -1.885 1.612 1.00 0.00 C ATOM 914 CG LYS A 78 -12.081 -2.068 3.104 1.00 0.00 C ATOM 915 CD LYS A 78 -12.641 -0.807 3.743 1.00 0.00 C ATOM 916 CE LYS A 78 -11.554 -0.009 4.446 1.00 0.00 C ATOM 917 NZ LYS A 78 -11.531 -0.272 5.911 1.00 0.00 N ATOM 0 H LYS A 78 -10.261 -3.690 1.076 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.098 -3.591 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.802 -1.661 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.425 -1.022 1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.769 -2.897 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.140 -2.334 3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.111 -0.188 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.418 -1.075 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.584 -0.261 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.714 1.055 4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.776 0.291 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.448 -0.008 6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.353 -1.283 6.080 1.00 0.00 H new ATOM 931 N ILE A 79 -11.645 -2.439 -1.463 1.00 0.00 N ATOM 932 CA ILE A 79 -11.872 -2.043 -2.842 1.00 0.00 C ATOM 933 C ILE A 79 -12.389 -3.228 -3.651 1.00 0.00 C ATOM 934 O ILE A 79 -13.336 -3.099 -4.427 1.00 0.00 O ATOM 935 CB ILE A 79 -10.572 -1.506 -3.475 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.235 -0.133 -2.895 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.686 -1.435 -4.990 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.776 0.240 -3.036 1.00 0.00 C ATOM 0 H ILE A 79 -10.661 -2.512 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.619 -1.249 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.764 -2.198 -3.236 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.844 0.622 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.506 -0.117 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.754 -1.053 -5.407 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.880 -2.431 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.505 -0.770 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.609 1.226 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.161 -0.494 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.505 0.257 -4.092 1.00 0.00 H new ATOM 950 N GLU A 80 -11.763 -4.383 -3.455 1.00 0.00 N ATOM 951 CA GLU A 80 -12.162 -5.593 -4.154 1.00 0.00 C ATOM 952 C GLU A 80 -13.543 -6.040 -3.692 1.00 0.00 C ATOM 953 O GLU A 80 -14.314 -6.607 -4.465 1.00 0.00 O ATOM 954 CB GLU A 80 -11.143 -6.709 -3.916 1.00 0.00 C ATOM 955 CG GLU A 80 -9.724 -6.331 -4.309 1.00 0.00 C ATOM 956 CD GLU A 80 -8.767 -7.504 -4.235 1.00 0.00 C ATOM 957 OE1 GLU A 80 -8.584 -8.051 -3.127 1.00 0.00 O ATOM 958 OE2 GLU A 80 -8.200 -7.875 -5.284 1.00 0.00 O ATOM 0 H GLU A 80 -10.977 -4.504 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.201 -5.377 -5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.158 -6.984 -2.861 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.445 -7.591 -4.480 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.726 -5.932 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.369 -5.535 -3.654 1.00 0.00 H new ATOM 965 N SER A 81 -13.855 -5.766 -2.426 1.00 0.00 N ATOM 966 CA SER A 81 -15.152 -6.128 -1.872 1.00 0.00 C ATOM 967 C SER A 81 -16.253 -5.368 -2.598 1.00 0.00 C ATOM 968 O SER A 81 -17.353 -5.882 -2.803 1.00 0.00 O ATOM 969 CB SER A 81 -15.199 -5.819 -0.374 1.00 0.00 C ATOM 970 OG SER A 81 -14.832 -6.952 0.393 1.00 0.00 O ATOM 0 H SER A 81 -13.229 -5.297 -1.771 1.00 0.00 H new ATOM 0 HA SER A 81 -15.306 -7.198 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.527 -4.991 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.203 -5.499 -0.097 1.00 0.00 H new ATOM 0 HG SER A 81 -13.857 -6.983 0.485 1.00 0.00 H new ATOM 976 N ASN A 82 -15.935 -4.141 -2.995 1.00 0.00 N ATOM 977 CA ASN A 82 -16.876 -3.295 -3.713 1.00 0.00 C ATOM 978 C ASN A 82 -16.987 -3.742 -5.169 1.00 0.00 C ATOM 979 O ASN A 82 -16.131 -3.423 -5.994 1.00 0.00 O ATOM 980 CB ASN A 82 -16.416 -1.840 -3.641 1.00 0.00 C ATOM 981 CG ASN A 82 -17.527 -0.859 -3.940 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.636 -0.975 -3.418 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.230 0.116 -4.786 1.00 0.00 N ATOM 0 H ASN A 82 -15.026 -3.709 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.859 -3.383 -3.250 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.017 -1.639 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.601 -1.686 -4.348 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.935 0.812 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.297 0.171 -5.193 1.00 0.00 H new ATOM 990 N ILE A 83 -18.040 -4.496 -5.474 1.00 0.00 N ATOM 991 CA ILE A 83 -18.261 -5.009 -6.825 1.00 0.00 C ATOM 992 C ILE A 83 -18.080 -3.930 -7.890 1.00 0.00 C ATOM 993 O ILE A 83 -17.693 -4.226 -9.020 1.00 0.00 O ATOM 994 CB ILE A 83 -19.665 -5.629 -6.968 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.789 -6.355 -8.309 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.738 -4.557 -6.838 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.784 -7.473 -8.485 1.00 0.00 C ATOM 0 H ILE A 83 -18.757 -4.767 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.507 -5.780 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.808 -6.354 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.795 -6.764 -8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.664 -5.634 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.723 -5.013 -6.942 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.660 -4.081 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.601 -3.809 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.930 -7.944 -9.457 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.774 -7.067 -8.426 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.923 -8.215 -7.699 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.360 -2.682 -7.530 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.220 -1.573 -8.469 1.00 0.00 C ATOM 1011 C LEU A 84 -16.831 -1.564 -9.105 1.00 0.00 C ATOM 1012 O LEU A 84 -16.638 -1.013 -10.188 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.480 -0.241 -7.765 1.00 0.00 C ATOM 1014 CG LEU A 84 -19.946 0.187 -7.709 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.189 1.098 -6.516 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.350 0.879 -9.003 1.00 0.00 C ATOM 0 H LEU A 84 -18.683 -2.413 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.959 -1.708 -9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.097 -0.305 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.909 0.537 -8.271 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.562 -0.705 -7.591 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.238 1.393 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -19.940 0.568 -5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.564 1.987 -6.604 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.397 1.177 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -19.729 1.762 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.213 0.194 -9.840 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.867 -2.185 -8.428 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.503 -2.252 -8.935 1.00 0.00 C ATOM 1030 C ILE A 85 -14.422 -3.174 -10.151 1.00 0.00 C ATOM 1031 O ILE A 85 -13.538 -3.030 -10.995 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.524 -2.743 -7.846 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.081 -2.700 -8.353 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.887 -4.149 -7.392 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.337 -1.446 -7.951 1.00 0.00 C ATOM 0 H ILE A 85 -16.007 -2.647 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.215 -1.243 -9.232 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.606 -2.073 -6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.544 -3.569 -7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.084 -2.778 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.185 -4.476 -6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.898 -4.150 -6.984 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.839 -4.830 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.321 -1.484 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.850 -0.573 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.303 -1.376 -6.864 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.357 -4.116 -10.236 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.395 -5.056 -11.351 1.00 0.00 C ATOM 1049 C HIS A 86 -16.217 -4.498 -12.511 1.00 0.00 C ATOM 1050 O HIS A 86 -16.004 -4.864 -13.667 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.982 -6.394 -10.898 1.00 0.00 C ATOM 1052 CG HIS A 86 -15.068 -7.182 -10.013 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -14.337 -8.264 -10.458 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.767 -7.043 -8.699 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.628 -8.756 -9.457 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.871 -8.033 -8.380 1.00 0.00 N ATOM 0 H HIS A 86 -16.097 -4.248 -9.547 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.372 -5.210 -11.695 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.917 -6.210 -10.369 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.226 -6.990 -11.777 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.159 -6.293 -8.028 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.963 -9.605 -9.511 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.459 -8.185 -7.459 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.160 -3.616 -12.194 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.018 -3.013 -13.207 1.00 0.00 C ATOM 1067 C GLN A 87 -17.336 -1.819 -13.862 1.00 0.00 C ATOM 1068 O GLN A 87 -17.305 -1.695 -15.087 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.350 -2.590 -12.577 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.359 -1.187 -11.984 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.718 -0.799 -11.436 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.315 0.188 -11.865 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.214 -1.576 -10.480 1.00 0.00 N ATOM 0 H GLN A 87 -17.349 -3.303 -11.242 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.210 -3.755 -13.982 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.131 -2.654 -13.335 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.608 -3.302 -11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.619 -1.128 -11.186 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.061 -0.470 -12.749 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.685 -2.385 -10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.124 -1.364 -10.072 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.798 -0.943 -13.029 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.118 0.256 -13.510 1.00 0.00 C ATOM 1084 C ASN A 88 -14.705 -0.071 -13.981 1.00 0.00 C ATOM 1085 O ASN A 88 -13.775 -0.153 -13.180 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.068 1.317 -12.405 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.888 2.546 -12.747 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -17.855 2.470 -13.505 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -16.505 3.688 -12.188 1.00 0.00 N ATOM 0 H ASN A 88 -16.817 -1.037 -12.014 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.681 0.648 -14.357 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.436 0.886 -11.474 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.032 1.611 -12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.019 4.548 -12.381 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -15.697 3.705 -11.565 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.554 -0.253 -15.291 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.253 -0.566 -15.855 1.00 0.00 C ATOM 1098 C GLY A 89 -12.196 0.449 -15.468 1.00 0.00 C ATOM 1099 O GLY A 89 -11.050 0.090 -15.200 1.00 0.00 O ATOM 0 H GLY A 89 -15.311 -0.189 -15.972 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.943 -1.555 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.332 -0.608 -16.941 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.584 1.720 -15.432 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.662 2.788 -15.067 1.00 0.00 C ATOM 1105 C LYS A 90 -11.110 2.560 -13.666 1.00 0.00 C ATOM 1106 O LYS A 90 -9.907 2.369 -13.485 1.00 0.00 O ATOM 1107 CB LYS A 90 -12.365 4.145 -15.140 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.469 5.316 -14.768 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.853 6.577 -15.528 1.00 0.00 C ATOM 1110 CE LYS A 90 -12.038 7.760 -14.590 1.00 0.00 C ATOM 1111 NZ LYS A 90 -12.906 8.812 -15.186 1.00 0.00 N ATOM 0 H LYS A 90 -13.529 2.034 -15.651 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.832 2.783 -15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.743 4.295 -16.151 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.229 4.134 -14.475 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.537 5.501 -13.696 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.431 5.063 -14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.081 6.810 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.776 6.403 -16.081 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.477 7.415 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.065 8.187 -14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.007 9.600 -14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.475 9.160 -16.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.843 8.412 -15.393 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.996 2.576 -12.676 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.596 2.367 -11.292 1.00 0.00 C ATOM 1127 C LEU A 91 -10.920 1.014 -11.119 1.00 0.00 C ATOM 1128 O LEU A 91 -9.932 0.893 -10.396 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.805 2.466 -10.369 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.102 3.873 -9.864 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.398 3.888 -9.071 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.943 4.391 -9.022 1.00 0.00 C ATOM 0 H LEU A 91 -12.995 2.732 -12.808 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.881 3.146 -11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.681 2.091 -10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.646 1.812 -9.512 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.221 4.535 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.596 4.900 -8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.219 3.559 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.310 3.216 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.171 5.397 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.791 3.732 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.036 4.415 -9.627 1.00 0.00 H new ATOM 1144 N SER A 92 -11.457 -0.001 -11.790 1.00 0.00 N ATOM 1145 CA SER A 92 -10.897 -1.347 -11.713 1.00 0.00 C ATOM 1146 C SER A 92 -9.386 -1.302 -11.904 1.00 0.00 C ATOM 1147 O SER A 92 -8.640 -2.018 -11.237 1.00 0.00 O ATOM 1148 CB SER A 92 -11.534 -2.256 -12.767 1.00 0.00 C ATOM 1149 OG SER A 92 -10.910 -2.091 -14.029 1.00 0.00 O ATOM 0 H SER A 92 -12.277 0.082 -12.391 1.00 0.00 H new ATOM 0 HA SER A 92 -11.116 -1.754 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.453 -3.296 -12.451 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.597 -2.030 -12.851 1.00 0.00 H new ATOM 0 HG SER A 92 -10.821 -1.135 -14.227 1.00 0.00 H new ATOM 1155 N ALA A 93 -8.946 -0.436 -12.809 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.526 -0.270 -13.083 1.00 0.00 C ATOM 1157 C ALA A 93 -6.866 0.551 -11.982 1.00 0.00 C ATOM 1158 O ALA A 93 -5.693 0.357 -11.664 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.324 0.394 -14.436 1.00 0.00 C ATOM 0 H ALA A 93 -9.555 0.163 -13.366 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.058 -1.254 -13.107 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.258 0.512 -14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.766 -0.226 -15.215 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.803 1.373 -14.436 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.637 1.467 -11.400 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.142 2.322 -10.325 1.00 0.00 C ATOM 1167 C ASP A 94 -6.441 1.495 -9.252 1.00 0.00 C ATOM 1168 O ASP A 94 -5.220 1.542 -9.117 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.297 3.109 -9.701 1.00 0.00 C ATOM 1170 CG ASP A 94 -7.983 4.587 -9.569 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -7.216 5.108 -10.405 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.504 5.223 -8.628 1.00 0.00 O ATOM 0 H ASP A 94 -8.610 1.636 -11.656 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.421 3.020 -10.751 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.191 2.983 -10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.523 2.699 -8.717 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.228 0.737 -8.497 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.698 -0.107 -7.435 1.00 0.00 C ATOM 1179 C PHE A 95 -5.691 -1.115 -7.988 1.00 0.00 C ATOM 1180 O PHE A 95 -4.656 -1.372 -7.375 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.853 -0.823 -6.724 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.616 -2.286 -6.464 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.903 -3.223 -7.442 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.107 -2.721 -5.250 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.689 -4.569 -7.215 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.892 -4.064 -5.019 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.182 -4.990 -6.001 1.00 0.00 C ATOM 0 H PHE A 95 -8.241 0.691 -8.603 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.172 0.520 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.042 -0.324 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.755 -0.716 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.299 -2.898 -8.393 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.877 -2.002 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.918 -5.291 -7.985 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.496 -4.391 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.013 -6.041 -5.820 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.004 -1.686 -9.149 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.127 -2.669 -9.781 1.00 0.00 C ATOM 1199 C LYS A 96 -3.703 -2.137 -9.896 1.00 0.00 C ATOM 1200 O LYS A 96 -2.738 -2.857 -9.640 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.657 -3.042 -11.166 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.774 -4.071 -11.131 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.496 -4.153 -12.466 1.00 0.00 C ATOM 1204 CE LYS A 96 -6.751 -5.039 -13.452 1.00 0.00 C ATOM 1205 NZ LYS A 96 -6.470 -4.332 -14.732 1.00 0.00 N ATOM 0 H LYS A 96 -6.857 -1.485 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.112 -3.560 -9.153 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.019 -2.142 -11.662 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.835 -3.430 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.363 -5.048 -10.878 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.485 -3.812 -10.347 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.502 -4.544 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.603 -3.152 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.813 -5.369 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.340 -5.934 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.961 -4.970 -15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.366 -4.039 -15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -5.886 -3.492 -14.544 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.581 -0.871 -10.276 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.274 -0.240 -10.418 1.00 0.00 C ATOM 1221 C ASN A 97 -1.630 -0.038 -9.052 1.00 0.00 C ATOM 1222 O ASN A 97 -0.415 -0.169 -8.899 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.407 1.106 -11.134 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.262 1.366 -12.093 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.316 2.083 -11.769 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.343 0.782 -13.283 1.00 0.00 N ATOM 0 H ASN A 97 -4.370 -0.261 -10.491 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.639 -0.896 -11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.349 1.132 -11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.447 1.906 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.602 0.920 -13.970 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.146 0.195 -13.510 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.456 0.277 -8.061 1.00 0.00 N ATOM 1234 CA LEU A 98 -1.975 0.493 -6.704 1.00 0.00 C ATOM 1235 C LEU A 98 -1.529 -0.822 -6.080 1.00 0.00 C ATOM 1236 O LEU A 98 -0.378 -0.967 -5.672 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.069 1.135 -5.852 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.763 2.332 -6.500 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.112 2.591 -5.850 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.882 3.566 -6.417 1.00 0.00 C ATOM 0 H LEU A 98 -3.464 0.388 -8.173 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.119 1.166 -6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.819 0.380 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.633 1.454 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.933 2.100 -7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.588 3.448 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.746 1.712 -5.966 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.971 2.799 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.392 4.409 -6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.678 3.798 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.942 3.378 -6.936 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.442 -1.785 -6.019 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.125 -3.092 -5.456 1.00 0.00 C ATOM 1254 C LYS A 99 -0.949 -3.707 -6.200 1.00 0.00 C ATOM 1255 O LYS A 99 -0.133 -4.420 -5.617 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.336 -4.026 -5.527 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.912 -4.178 -6.927 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.139 -5.639 -7.286 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.647 -5.953 -8.690 1.00 0.00 C ATOM 1260 NZ LYS A 99 -4.082 -7.303 -9.141 1.00 0.00 N ATOM 0 H LYS A 99 -3.402 -1.686 -6.350 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.857 -2.958 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.048 -5.009 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.114 -3.649 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.855 -3.636 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.233 -3.726 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.622 -6.275 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.201 -5.872 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.022 -5.200 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.559 -5.895 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.727 -7.479 -10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.703 -8.024 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.121 -7.351 -9.142 1.00 0.00 H new ATOM 1274 N THR A 100 -0.861 -3.406 -7.490 1.00 0.00 N ATOM 1275 CA THR A 100 0.220 -3.909 -8.321 1.00 0.00 C ATOM 1276 C THR A 100 1.533 -3.249 -7.919 1.00 0.00 C ATOM 1277 O THR A 100 2.505 -3.927 -7.582 1.00 0.00 O ATOM 1278 CB THR A 100 -0.087 -3.642 -9.799 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.021 -4.585 -10.293 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.132 -3.693 -10.695 1.00 0.00 C ATOM 0 H THR A 100 -1.529 -2.813 -7.983 1.00 0.00 H new ATOM 0 HA THR A 100 0.313 -4.985 -8.176 1.00 0.00 H new ATOM 0 HB THR A 100 -0.488 -2.629 -9.826 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.893 -4.153 -10.406 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.835 -3.494 -11.725 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.852 -2.940 -10.373 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.588 -4.681 -10.633 1.00 0.00 H new ATOM 1288 N LYS A 101 1.552 -1.920 -7.944 1.00 0.00 N ATOM 1289 CA LYS A 101 2.743 -1.175 -7.569 1.00 0.00 C ATOM 1290 C LYS A 101 3.107 -1.474 -6.120 1.00 0.00 C ATOM 1291 O LYS A 101 4.281 -1.558 -5.766 1.00 0.00 O ATOM 1292 CB LYS A 101 2.522 0.331 -7.774 1.00 0.00 C ATOM 1293 CG LYS A 101 1.776 1.017 -6.638 1.00 0.00 C ATOM 1294 CD LYS A 101 1.772 2.528 -6.807 1.00 0.00 C ATOM 1295 CE LYS A 101 2.910 3.177 -6.036 1.00 0.00 C ATOM 1296 NZ LYS A 101 4.123 3.360 -6.881 1.00 0.00 N ATOM 0 H LYS A 101 0.758 -1.341 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 101 3.570 -1.485 -8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.491 0.814 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.967 0.482 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.750 0.651 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.241 0.757 -5.687 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.859 2.777 -7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.820 2.931 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.584 4.145 -5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.160 2.562 -5.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.935 2.894 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.960 2.939 -7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.322 4.375 -6.987 1.00 0.00 H new ATOM 1310 N TYR A 102 2.080 -1.645 -5.292 1.00 0.00 N ATOM 1311 CA TYR A 102 2.273 -1.946 -3.879 1.00 0.00 C ATOM 1312 C TYR A 102 3.032 -3.259 -3.710 1.00 0.00 C ATOM 1313 O TYR A 102 3.883 -3.387 -2.830 1.00 0.00 O ATOM 1314 CB TYR A 102 0.912 -2.007 -3.171 1.00 0.00 C ATOM 1315 CG TYR A 102 0.905 -2.809 -1.886 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.679 -2.428 -0.796 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.117 -3.947 -1.766 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.667 -3.161 0.377 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.101 -4.683 -0.597 1.00 0.00 C ATOM 1320 CZ TYR A 102 0.876 -4.286 0.469 1.00 0.00 C ATOM 1321 OH TYR A 102 0.861 -5.016 1.632 1.00 0.00 O ATOM 0 H TYR A 102 1.103 -1.580 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 102 2.868 -1.154 -3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.586 -0.990 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.180 -2.436 -3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.299 -1.546 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.493 -4.261 -2.600 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.274 -2.854 1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.517 -5.566 -0.520 1.00 0.00 H new ATOM 0 HH TYR A 102 0.482 -5.903 1.457 1.00 0.00 H new ATOM 1331 N GLN A 103 2.720 -4.232 -4.561 1.00 0.00 N ATOM 1332 CA GLN A 103 3.379 -5.532 -4.505 1.00 0.00 C ATOM 1333 C GLN A 103 4.879 -5.387 -4.720 1.00 0.00 C ATOM 1334 O GLN A 103 5.679 -6.028 -4.041 1.00 0.00 O ATOM 1335 CB GLN A 103 2.793 -6.476 -5.558 1.00 0.00 C ATOM 1336 CG GLN A 103 1.357 -6.890 -5.280 1.00 0.00 C ATOM 1337 CD GLN A 103 1.149 -8.387 -5.392 1.00 0.00 C ATOM 1338 OE1 GLN A 103 1.064 -9.091 -4.386 1.00 0.00 O ATOM 1339 NE2 GLN A 103 1.067 -8.882 -6.622 1.00 0.00 N ATOM 0 H GLN A 103 2.017 -4.145 -5.295 1.00 0.00 H new ATOM 0 HA GLN A 103 3.207 -5.954 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.839 -5.991 -6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.414 -7.370 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.076 -6.562 -4.279 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.694 -6.382 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.143 -8.261 -7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.928 -9.883 -6.761 1.00 0.00 H new ATOM 1348 N SER A 104 5.256 -4.539 -5.666 1.00 0.00 N ATOM 1349 CA SER A 104 6.663 -4.310 -5.961 1.00 0.00 C ATOM 1350 C SER A 104 7.372 -3.712 -4.753 1.00 0.00 C ATOM 1351 O SER A 104 8.539 -4.006 -4.493 1.00 0.00 O ATOM 1352 CB SER A 104 6.804 -3.368 -7.153 1.00 0.00 C ATOM 1353 OG SER A 104 7.884 -3.753 -7.986 1.00 0.00 O ATOM 0 H SER A 104 4.609 -3.999 -6.241 1.00 0.00 H new ATOM 0 HA SER A 104 7.122 -5.269 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.879 -3.366 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.960 -2.349 -6.798 1.00 0.00 H new ATOM 0 HG SER A 104 7.950 -3.134 -8.743 1.00 0.00 H new ATOM 1359 N LEU A 105 6.656 -2.865 -4.024 1.00 0.00 N ATOM 1360 CA LEU A 105 7.207 -2.214 -2.847 1.00 0.00 C ATOM 1361 C LEU A 105 7.530 -3.228 -1.763 1.00 0.00 C ATOM 1362 O LEU A 105 8.642 -3.253 -1.238 1.00 0.00 O ATOM 1363 CB LEU A 105 6.217 -1.183 -2.308 1.00 0.00 C ATOM 1364 CG LEU A 105 5.725 -0.164 -3.331 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.554 0.632 -2.773 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.860 0.759 -3.740 1.00 0.00 C ATOM 0 H LEU A 105 5.689 -2.614 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 105 8.131 -1.714 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.355 -1.709 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.686 -0.648 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 105 5.379 -0.697 -4.216 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.217 1.354 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.736 -0.046 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.869 1.160 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.496 1.482 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.234 1.287 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.666 0.172 -4.181 1.00 0.00 H new ATOM 1378 N GLN A 106 6.554 -4.062 -1.429 1.00 0.00 N ATOM 1379 CA GLN A 106 6.754 -5.076 -0.394 1.00 0.00 C ATOM 1380 C GLN A 106 7.951 -5.958 -0.739 1.00 0.00 C ATOM 1381 O GLN A 106 8.749 -6.312 0.130 1.00 0.00 O ATOM 1382 CB GLN A 106 5.507 -5.957 -0.196 1.00 0.00 C ATOM 1383 CG GLN A 106 4.393 -5.745 -1.211 1.00 0.00 C ATOM 1384 CD GLN A 106 3.432 -6.917 -1.265 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.455 -7.711 -2.205 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.581 -7.032 -0.253 1.00 0.00 N ATOM 0 H GLN A 106 5.626 -4.060 -1.852 1.00 0.00 H new ATOM 0 HA GLN A 106 6.942 -4.546 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.812 -7.003 -0.229 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.107 -5.773 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.843 -4.838 -0.959 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.829 -5.590 -2.198 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.596 -6.351 0.506 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.912 -7.801 -0.234 1.00 0.00 H new ATOM 1395 N GLN A 107 8.061 -6.313 -2.015 1.00 0.00 N ATOM 1396 CA GLN A 107 9.152 -7.159 -2.490 1.00 0.00 C ATOM 1397 C GLN A 107 10.493 -6.431 -2.440 1.00 0.00 C ATOM 1398 O GLN A 107 11.472 -6.958 -1.914 1.00 0.00 O ATOM 1399 CB GLN A 107 8.879 -7.627 -3.922 1.00 0.00 C ATOM 1400 CG GLN A 107 7.445 -8.066 -4.164 1.00 0.00 C ATOM 1401 CD GLN A 107 7.332 -9.541 -4.495 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.202 -10.381 -3.604 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.384 -9.865 -5.782 1.00 0.00 N ATOM 0 H GLN A 107 7.405 -6.027 -2.742 1.00 0.00 H new ATOM 0 HA GLN A 107 9.206 -8.022 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.122 -6.818 -4.611 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.547 -8.456 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.849 -7.850 -3.277 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.023 -7.481 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.493 -9.136 -6.487 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.315 -10.843 -6.065 1.00 0.00 H new ATOM 1412 N SER A 108 10.537 -5.226 -3.002 1.00 0.00 N ATOM 1413 CA SER A 108 11.768 -4.441 -3.029 1.00 0.00 C ATOM 1414 C SER A 108 12.266 -4.144 -1.619 1.00 0.00 C ATOM 1415 O SER A 108 13.471 -4.055 -1.379 1.00 0.00 O ATOM 1416 CB SER A 108 11.543 -3.131 -3.786 1.00 0.00 C ATOM 1417 OG SER A 108 12.731 -2.703 -4.430 1.00 0.00 O ATOM 0 H SER A 108 9.737 -4.773 -3.444 1.00 0.00 H new ATOM 0 HA SER A 108 12.528 -5.029 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.753 -3.266 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.203 -2.361 -3.093 1.00 0.00 H new ATOM 0 HG SER A 108 12.560 -1.865 -4.908 1.00 0.00 H new ATOM 1423 N TYR A 109 11.331 -3.981 -0.694 1.00 0.00 N ATOM 1424 CA TYR A 109 11.662 -3.681 0.692 1.00 0.00 C ATOM 1425 C TYR A 109 11.959 -4.953 1.476 1.00 0.00 C ATOM 1426 O TYR A 109 12.923 -5.009 2.239 1.00 0.00 O ATOM 1427 CB TYR A 109 10.511 -2.883 1.316 1.00 0.00 C ATOM 1428 CG TYR A 109 10.017 -3.358 2.669 1.00 0.00 C ATOM 1429 CD1 TYR A 109 10.887 -3.564 3.732 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.664 -3.578 2.881 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.425 -3.980 4.962 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.192 -3.992 4.109 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.077 -4.193 5.147 1.00 0.00 C ATOM 1434 OH TYR A 109 8.611 -4.606 6.374 1.00 0.00 O ATOM 0 H TYR A 109 10.331 -4.052 -0.880 1.00 0.00 H new ATOM 0 HA TYR A 109 12.569 -3.078 0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.828 -1.845 1.413 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.671 -2.896 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.945 -3.395 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.968 -3.422 2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.116 -4.138 5.776 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.135 -4.158 4.257 1.00 0.00 H new ATOM 0 HH TYR A 109 9.196 -4.260 7.080 1.00 0.00 H new ATOM 1444 N ASN A 110 11.132 -5.973 1.288 1.00 0.00 N ATOM 1445 CA ASN A 110 11.325 -7.237 1.989 1.00 0.00 C ATOM 1446 C ASN A 110 12.742 -7.757 1.769 1.00 0.00 C ATOM 1447 O ASN A 110 13.407 -8.206 2.702 1.00 0.00 O ATOM 1448 CB ASN A 110 10.303 -8.274 1.520 1.00 0.00 C ATOM 1449 CG ASN A 110 9.014 -8.218 2.316 1.00 0.00 C ATOM 1450 OD1 ASN A 110 9.022 -7.924 3.512 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.897 -8.500 1.656 1.00 0.00 N ATOM 0 H ASN A 110 10.327 -5.952 0.662 1.00 0.00 H new ATOM 0 HA ASN A 110 11.178 -7.063 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.082 -8.111 0.465 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.736 -9.271 1.605 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.999 -8.478 2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.937 -8.739 0.665 1.00 0.00 H new ATOM 1458 N GLN A 111 13.213 -7.677 0.532 1.00 0.00 N ATOM 1459 CA GLN A 111 14.561 -8.123 0.220 1.00 0.00 C ATOM 1460 C GLN A 111 15.572 -7.240 0.934 1.00 0.00 C ATOM 1461 O GLN A 111 16.381 -7.716 1.729 1.00 0.00 O ATOM 1462 CB GLN A 111 14.823 -8.099 -1.289 1.00 0.00 C ATOM 1463 CG GLN A 111 14.438 -6.799 -1.976 1.00 0.00 C ATOM 1464 CD GLN A 111 14.159 -6.989 -3.454 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.010 -7.152 -3.865 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.213 -6.974 -4.261 1.00 0.00 N ATOM 0 H GLN A 111 12.688 -7.312 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 111 14.665 -9.152 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.882 -8.288 -1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.273 -8.917 -1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.554 -6.383 -1.492 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.241 -6.073 -1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.148 -6.836 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.088 -7.101 -5.265 1.00 0.00 H new ATOM 1475 N ARG A 112 15.502 -5.945 0.650 1.00 0.00 N ATOM 1476 CA ARG A 112 16.393 -4.966 1.259 1.00 0.00 C ATOM 1477 C ARG A 112 16.461 -5.150 2.769 1.00 0.00 C ATOM 1478 O ARG A 112 17.521 -5.010 3.374 1.00 0.00 O ATOM 1479 CB ARG A 112 15.915 -3.550 0.935 1.00 0.00 C ATOM 1480 CG ARG A 112 16.682 -2.890 -0.196 1.00 0.00 C ATOM 1481 CD ARG A 112 16.834 -1.395 0.035 1.00 0.00 C ATOM 1482 NE ARG A 112 16.385 -0.615 -1.116 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.292 0.713 -1.122 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.612 1.412 -0.040 1.00 0.00 N ATOM 1485 NH2 ARG A 112 15.876 1.343 -2.212 1.00 0.00 N ATOM 0 H ARG A 112 14.830 -5.546 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 112 17.391 -5.117 0.848 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.857 -3.584 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.002 -2.933 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.667 -3.348 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.163 -3.063 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.261 -1.104 0.916 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.879 -1.165 0.244 1.00 0.00 H new ATOM 0 HE ARG A 112 16.128 -1.118 -1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 112 16.931 0.932 0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.539 2.429 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 112 15.627 0.810 -3.045 1.00 0.00 H new ATOM 0 HH22 ARG A 112 15.805 2.360 -2.217 1.00 0.00 H new ATOM 1499 N LYS A 113 15.320 -5.462 3.373 1.00 0.00 N ATOM 1500 CA LYS A 113 15.258 -5.661 4.815 1.00 0.00 C ATOM 1501 C LYS A 113 16.090 -6.875 5.224 1.00 0.00 C ATOM 1502 O LYS A 113 16.607 -6.939 6.339 1.00 0.00 O ATOM 1503 CB LYS A 113 13.798 -5.800 5.280 1.00 0.00 C ATOM 1504 CG LYS A 113 13.223 -7.209 5.194 1.00 0.00 C ATOM 1505 CD LYS A 113 12.425 -7.559 6.437 1.00 0.00 C ATOM 1506 CE LYS A 113 10.973 -7.138 6.295 1.00 0.00 C ATOM 1507 NZ LYS A 113 10.203 -7.363 7.550 1.00 0.00 N ATOM 0 H LYS A 113 14.430 -5.582 2.889 1.00 0.00 H new ATOM 0 HA LYS A 113 15.681 -4.785 5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.728 -5.458 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.177 -5.134 4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.584 -7.290 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 113 14.033 -7.927 5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.479 -8.633 6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.865 -7.068 7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.926 -6.083 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.511 -7.697 5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.217 -7.063 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.226 -8.373 7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.628 -6.810 8.322 1.00 0.00 H new ATOM 1521 N SER A 114 16.218 -7.832 4.309 1.00 0.00 N ATOM 1522 CA SER A 114 16.991 -9.041 4.568 1.00 0.00 C ATOM 1523 C SER A 114 18.478 -8.812 4.297 1.00 0.00 C ATOM 1524 O SER A 114 19.334 -9.472 4.886 1.00 0.00 O ATOM 1525 CB SER A 114 16.477 -10.194 3.704 1.00 0.00 C ATOM 1526 OG SER A 114 15.416 -10.880 4.346 1.00 0.00 O ATOM 0 H SER A 114 15.796 -7.793 3.381 1.00 0.00 H new ATOM 0 HA SER A 114 16.869 -9.299 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.136 -9.808 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.291 -10.889 3.498 1.00 0.00 H new ATOM 0 HG SER A 114 15.104 -11.611 3.772 1.00 0.00 H new