USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 664 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 73 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -0.16 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.687 X(o=-0.69,f=-0.68) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -4.67! C(o=-4.7!,f=-4.5!) USER MOD Single : A 15 CYS SG : rot 140:sc= -2.17! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.371 K(o=-0.37,f=-4!) USER MOD Single : A 26 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 35 THR OG1 : rot 35:sc= 0.267 USER MOD Single : A 36 ASN : amide:sc= 0.259 K(o=0.26,f=-7!) USER MOD Single : A 38 ASN : amide:sc= -0.858 K(o=-0.86,f=-3.7!) USER MOD Single : A 42 GLN : amide:sc= -0.0981 X(o=-0.098,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.33 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot -36:sc= 0.867 USER MOD Single : A 62 GLN : amide:sc=-0.00912 K(o=-0.0091,f=-1.2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -144:sc= -0.0113 (180deg=-0.128) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.033) USER MOD Single : A 97 SER OG : rot 170:sc= 0.0533 USER MOD Single : A 98 THR OG1 : rot 4:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.412 13.924 -2.332 1.00 0.00 N ATOM 78 CA HIS A 6 -5.032 12.603 -2.207 1.00 0.00 C ATOM 79 C HIS A 6 -4.030 11.495 -2.543 1.00 0.00 C ATOM 80 O HIS A 6 -2.935 11.766 -3.034 1.00 0.00 O ATOM 81 CB HIS A 6 -6.252 12.492 -3.128 1.00 0.00 C ATOM 82 CG HIS A 6 -7.554 12.375 -2.392 1.00 0.00 C ATOM 83 ND1 HIS A 6 -7.677 11.764 -1.159 1.00 0.00 N ATOM 84 CD2 HIS A 6 -8.797 12.801 -2.724 1.00 0.00 C ATOM 85 CE1 HIS A 6 -8.936 11.819 -0.768 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.634 12.442 -1.697 1.00 0.00 N ATOM 0 HA HIS A 6 -5.354 12.482 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.288 13.368 -3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.131 11.623 -3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.076 13.324 -3.627 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.328 11.421 0.156 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.636 12.628 -1.659 1.00 0.00 H new ATOM 95 N ILE A 7 -4.418 10.249 -2.275 1.00 0.00 N ATOM 96 CA ILE A 7 -3.560 9.095 -2.547 1.00 0.00 C ATOM 97 C ILE A 7 -4.305 8.048 -3.375 1.00 0.00 C ATOM 98 O ILE A 7 -5.531 7.960 -3.315 1.00 0.00 O ATOM 99 CB ILE A 7 -3.059 8.454 -1.232 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.455 9.524 -0.316 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.044 7.353 -1.514 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.194 10.160 -0.862 1.00 0.00 C ATOM 0 H ILE A 7 -5.323 10.012 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.700 9.452 -3.114 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.912 8.002 -0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.198 10.303 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.234 9.076 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.707 6.919 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.507 6.579 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.190 7.773 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.828 10.906 -0.157 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.433 9.393 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.412 10.639 -1.816 1.00 0.00 H new ATOM 114 N THR A 8 -3.562 7.255 -4.151 1.00 0.00 N ATOM 115 CA THR A 8 -4.166 6.217 -4.989 1.00 0.00 C ATOM 116 C THR A 8 -3.766 4.819 -4.516 1.00 0.00 C ATOM 117 O THR A 8 -2.711 4.303 -4.893 1.00 0.00 O ATOM 118 CB THR A 8 -3.763 6.403 -6.456 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.967 7.743 -6.872 1.00 0.00 O ATOM 120 CG2 THR A 8 -4.532 5.505 -7.404 1.00 0.00 C ATOM 0 H THR A 8 -2.546 7.311 -4.216 1.00 0.00 H new ATOM 0 HA THR A 8 -5.248 6.314 -4.902 1.00 0.00 H new ATOM 0 HB THR A 8 -2.707 6.136 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.701 7.838 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.200 5.686 -8.426 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.353 4.462 -7.143 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.598 5.721 -7.325 1.00 0.00 H new ATOM 128 N VAL A 9 -4.621 4.210 -3.697 1.00 0.00 N ATOM 129 CA VAL A 9 -4.368 2.867 -3.180 1.00 0.00 C ATOM 130 C VAL A 9 -5.325 1.854 -3.802 1.00 0.00 C ATOM 131 O VAL A 9 -6.508 1.803 -3.459 1.00 0.00 O ATOM 132 CB VAL A 9 -4.476 2.814 -1.638 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.871 3.206 -1.166 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.095 1.434 -1.124 1.00 0.00 C ATOM 0 H VAL A 9 -5.496 4.626 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.346 2.607 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.775 3.540 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.914 3.159 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.094 4.221 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.604 2.519 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.177 1.415 -0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.766 0.689 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.069 1.208 -1.415 1.00 0.00 H new ATOM 144 N GLN A 10 -4.811 1.055 -4.732 1.00 0.00 N ATOM 145 CA GLN A 10 -5.625 0.056 -5.411 1.00 0.00 C ATOM 146 C GLN A 10 -4.953 -1.319 -5.401 1.00 0.00 C ATOM 147 O GLN A 10 -3.762 -1.437 -5.112 1.00 0.00 O ATOM 148 CB GLN A 10 -5.902 0.503 -6.848 1.00 0.00 C ATOM 149 CG GLN A 10 -4.647 0.694 -7.681 1.00 0.00 C ATOM 150 CD GLN A 10 -4.340 2.150 -7.973 1.00 0.00 C ATOM 151 OE1 GLN A 10 -5.125 2.843 -8.621 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.191 2.620 -7.497 1.00 0.00 N ATOM 0 H GLN A 10 -3.836 1.081 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.568 -0.036 -4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.540 -0.236 -7.332 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.459 1.440 -6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.800 0.249 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.759 0.157 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.571 2.009 -6.965 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.929 3.592 -7.664 1.00 0.00 H new ATOM 161 N PHE A 11 -5.734 -2.354 -5.719 1.00 0.00 N ATOM 162 CA PHE A 11 -5.224 -3.724 -5.749 1.00 0.00 C ATOM 163 C PHE A 11 -5.319 -4.318 -7.155 1.00 0.00 C ATOM 164 O PHE A 11 -6.070 -3.822 -7.997 1.00 0.00 O ATOM 165 CB PHE A 11 -5.997 -4.602 -4.759 1.00 0.00 C ATOM 166 CG PHE A 11 -5.960 -4.092 -3.343 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.752 -3.936 -2.682 1.00 0.00 C ATOM 168 CD2 PHE A 11 -7.131 -3.767 -2.676 1.00 0.00 C ATOM 169 CE1 PHE A 11 -4.712 -3.465 -1.383 1.00 0.00 C ATOM 170 CE2 PHE A 11 -7.097 -3.295 -1.377 1.00 0.00 C ATOM 171 CZ PHE A 11 -5.886 -3.145 -0.729 1.00 0.00 C ATOM 0 H PHE A 11 -6.722 -2.268 -5.959 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.174 -3.696 -5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.035 -4.673 -5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.586 -5.611 -4.784 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.831 -4.185 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.081 -3.884 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.764 -3.347 -0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.016 -3.044 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.857 -2.778 0.286 1.00 0.00 H new ATOM 181 N ALA A 12 -4.552 -5.380 -7.398 1.00 0.00 N ATOM 182 CA ALA A 12 -4.544 -6.044 -8.702 1.00 0.00 C ATOM 183 C ALA A 12 -4.203 -7.527 -8.571 1.00 0.00 C ATOM 184 O ALA A 12 -3.557 -7.944 -7.607 1.00 0.00 O ATOM 185 CB ALA A 12 -3.561 -5.359 -9.641 1.00 0.00 C ATOM 0 H ALA A 12 -3.928 -5.800 -6.709 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.547 -5.966 -9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.567 -5.865 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.852 -4.317 -9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.559 -5.404 -9.214 1.00 0.00 H new ATOM 191 N GLY A 13 -4.642 -8.318 -9.553 1.00 0.00 N ATOM 192 CA GLY A 13 -4.379 -9.746 -9.542 1.00 0.00 C ATOM 193 C GLY A 13 -5.203 -10.474 -8.497 1.00 0.00 C ATOM 194 O GLY A 13 -6.388 -10.734 -8.708 1.00 0.00 O ATOM 0 H GLY A 13 -5.177 -7.990 -10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.596 -10.161 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.320 -9.917 -9.350 1.00 0.00 H new ATOM 198 N GLY A 14 -4.575 -10.795 -7.367 1.00 0.00 N ATOM 199 CA GLY A 14 -5.273 -11.487 -6.296 1.00 0.00 C ATOM 200 C GLY A 14 -5.030 -10.856 -4.934 1.00 0.00 C ATOM 201 O GLY A 14 -5.095 -11.538 -3.910 1.00 0.00 O ATOM 0 H GLY A 14 -3.595 -10.588 -7.175 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.343 -11.488 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.952 -12.528 -6.272 1.00 0.00 H new ATOM 205 N CYS A 15 -4.746 -9.548 -4.919 1.00 0.00 N ATOM 206 CA CYS A 15 -4.491 -8.830 -3.669 1.00 0.00 C ATOM 207 C CYS A 15 -5.753 -8.137 -3.153 1.00 0.00 C ATOM 208 O CYS A 15 -5.908 -7.938 -1.949 1.00 0.00 O ATOM 209 CB CYS A 15 -3.371 -7.802 -3.864 1.00 0.00 C ATOM 210 SG CYS A 15 -2.176 -7.740 -2.507 1.00 0.00 S ATOM 0 H CYS A 15 -4.688 -8.969 -5.757 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.180 -9.563 -2.924 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.842 -8.029 -4.789 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.817 -6.815 -3.986 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.978 -7.597 -2.990 1.00 0.00 H new ATOM 216 N GLU A 16 -6.654 -7.774 -4.068 1.00 0.00 N ATOM 217 CA GLU A 16 -7.903 -7.106 -3.695 1.00 0.00 C ATOM 218 C GLU A 16 -8.720 -7.959 -2.722 1.00 0.00 C ATOM 219 O GLU A 16 -9.440 -7.429 -1.874 1.00 0.00 O ATOM 220 CB GLU A 16 -8.733 -6.789 -4.941 1.00 0.00 C ATOM 221 CG GLU A 16 -9.173 -8.020 -5.720 1.00 0.00 C ATOM 222 CD GLU A 16 -9.435 -7.717 -7.181 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.575 -7.322 -7.508 1.00 0.00 O ATOM 224 OE2 GLU A 16 -8.503 -7.873 -7.997 1.00 0.00 O ATOM 0 H GLU A 16 -6.543 -7.931 -5.070 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.644 -6.173 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.617 -6.225 -4.643 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.150 -6.144 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.404 -8.789 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.077 -8.428 -5.269 1.00 0.00 H new ATOM 231 N LEU A 17 -8.595 -9.282 -2.845 1.00 0.00 N ATOM 232 CA LEU A 17 -9.318 -10.208 -1.975 1.00 0.00 C ATOM 233 C LEU A 17 -8.815 -10.146 -0.524 1.00 0.00 C ATOM 234 O LEU A 17 -9.422 -10.742 0.365 1.00 0.00 O ATOM 235 CB LEU A 17 -9.192 -11.641 -2.501 1.00 0.00 C ATOM 236 CG LEU A 17 -10.249 -12.054 -3.529 1.00 0.00 C ATOM 237 CD1 LEU A 17 -10.047 -11.307 -4.841 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.208 -13.561 -3.753 1.00 0.00 C ATOM 0 H LEU A 17 -8.000 -9.735 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.365 -9.905 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.206 -11.761 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.243 -12.327 -1.656 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.232 -11.790 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.809 -11.616 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.128 -10.234 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.059 -11.535 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.965 -13.841 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.223 -13.847 -4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.407 -14.074 -2.812 1.00 0.00 H new ATOM 250 N LEU A 18 -7.710 -9.424 -0.282 1.00 0.00 N ATOM 251 CA LEU A 18 -7.157 -9.302 1.069 1.00 0.00 C ATOM 252 C LEU A 18 -7.867 -8.213 1.889 1.00 0.00 C ATOM 253 O LEU A 18 -7.381 -7.818 2.948 1.00 0.00 O ATOM 254 CB LEU A 18 -5.654 -9.002 1.004 1.00 0.00 C ATOM 255 CG LEU A 18 -4.781 -10.134 0.459 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.405 -9.608 0.076 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.661 -11.257 1.481 1.00 0.00 C ATOM 0 H LEU A 18 -7.188 -8.921 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.320 -10.256 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.504 -8.119 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.308 -8.749 2.006 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.257 -10.536 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.797 -10.426 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.509 -8.841 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.922 -9.180 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.036 -12.053 1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.209 -10.871 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.652 -11.652 1.706 1.00 0.00 H new ATOM 269 N PHE A 19 -9.020 -7.739 1.404 1.00 0.00 N ATOM 270 CA PHE A 19 -9.788 -6.709 2.100 1.00 0.00 C ATOM 271 C PHE A 19 -11.273 -6.912 1.844 1.00 0.00 C ATOM 272 O PHE A 19 -12.032 -7.234 2.758 1.00 0.00 O ATOM 273 CB PHE A 19 -9.353 -5.310 1.641 1.00 0.00 C ATOM 274 CG PHE A 19 -10.170 -4.191 2.233 1.00 0.00 C ATOM 275 CD1 PHE A 19 -9.989 -3.811 3.553 1.00 0.00 C ATOM 276 CD2 PHE A 19 -11.112 -3.517 1.469 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.734 -2.785 4.102 1.00 0.00 C ATOM 278 CE2 PHE A 19 -11.859 -2.489 2.014 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.668 -2.122 3.333 1.00 0.00 C ATOM 0 H PHE A 19 -9.440 -8.055 0.530 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.598 -6.792 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.306 -5.161 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.418 -5.258 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.257 -4.323 4.160 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.263 -3.798 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.585 -2.502 5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.591 -1.973 1.410 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.249 -1.318 3.761 1.00 0.00 H new ATOM 289 N ALA A 20 -11.676 -6.731 0.589 1.00 0.00 N ATOM 290 CA ALA A 20 -13.068 -6.901 0.195 1.00 0.00 C ATOM 291 C ALA A 20 -13.217 -6.818 -1.325 1.00 0.00 C ATOM 292 O ALA A 20 -14.183 -6.245 -1.834 1.00 0.00 O ATOM 293 CB ALA A 20 -13.939 -5.861 0.887 1.00 0.00 C ATOM 0 H ALA A 20 -11.054 -6.465 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.400 -7.891 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.978 -5.997 0.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.857 -5.978 1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.607 -4.862 0.604 1.00 0.00 H new ATOM 299 N LYS A 21 -12.245 -7.393 -2.046 1.00 0.00 N ATOM 300 CA LYS A 21 -12.250 -7.384 -3.510 1.00 0.00 C ATOM 301 C LYS A 21 -12.450 -5.962 -4.046 1.00 0.00 C ATOM 302 O LYS A 21 -13.127 -5.754 -5.057 1.00 0.00 O ATOM 303 CB LYS A 21 -13.345 -8.318 -4.045 1.00 0.00 C ATOM 304 CG LYS A 21 -13.371 -9.681 -3.362 1.00 0.00 C ATOM 305 CD LYS A 21 -14.343 -9.704 -2.191 1.00 0.00 C ATOM 306 CE LYS A 21 -15.086 -11.030 -2.103 1.00 0.00 C ATOM 307 NZ LYS A 21 -14.207 -12.137 -1.625 1.00 0.00 N ATOM 0 H LYS A 21 -11.444 -7.871 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.282 -7.745 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.315 -7.838 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.199 -8.460 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.654 -10.445 -4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.370 -9.931 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.799 -9.529 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.061 -8.891 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.935 -10.925 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.488 -11.285 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.754 -13.020 -1.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.410 -12.256 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.843 -11.907 -0.678 1.00 0.00 H new ATOM 321 N GLN A 22 -11.853 -4.987 -3.357 1.00 0.00 N ATOM 322 CA GLN A 22 -11.961 -3.584 -3.747 1.00 0.00 C ATOM 323 C GLN A 22 -11.087 -3.282 -4.960 1.00 0.00 C ATOM 324 O GLN A 22 -10.100 -3.975 -5.215 1.00 0.00 O ATOM 325 CB GLN A 22 -11.569 -2.672 -2.578 1.00 0.00 C ATOM 326 CG GLN A 22 -12.759 -2.032 -1.878 1.00 0.00 C ATOM 327 CD GLN A 22 -13.231 -0.761 -2.562 1.00 0.00 C ATOM 328 OE1 GLN A 22 -13.271 -0.681 -3.790 1.00 0.00 O ATOM 329 NE2 GLN A 22 -13.597 0.244 -1.770 1.00 0.00 N ATOM 0 H GLN A 22 -11.288 -5.147 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.999 -3.391 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -10.999 -3.251 -1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.909 -1.886 -2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.581 -2.747 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.489 -1.805 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.549 0.138 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.925 1.120 -2.176 1.00 0.00 H new ATOM 338 N THR A 23 -11.457 -2.241 -5.705 1.00 0.00 N ATOM 339 CA THR A 23 -10.708 -1.846 -6.894 1.00 0.00 C ATOM 340 C THR A 23 -9.629 -0.817 -6.549 1.00 0.00 C ATOM 341 O THR A 23 -8.437 -1.122 -6.598 1.00 0.00 O ATOM 342 CB THR A 23 -11.655 -1.296 -7.971 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.317 -0.122 -7.521 1.00 0.00 O ATOM 344 CG2 THR A 23 -12.718 -2.289 -8.398 1.00 0.00 C ATOM 0 H THR A 23 -12.270 -1.658 -5.506 1.00 0.00 H new ATOM 0 HA THR A 23 -10.212 -2.733 -7.289 1.00 0.00 H new ATOM 0 HB THR A 23 -11.015 -1.079 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.912 0.208 -8.226 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.353 -1.837 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.241 -3.180 -8.805 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.326 -2.564 -7.536 1.00 0.00 H new ATOM 352 N SER A 24 -10.054 0.398 -6.199 1.00 0.00 N ATOM 353 CA SER A 24 -9.125 1.470 -5.845 1.00 0.00 C ATOM 354 C SER A 24 -9.702 2.349 -4.738 1.00 0.00 C ATOM 355 O SER A 24 -10.922 2.439 -4.580 1.00 0.00 O ATOM 356 CB SER A 24 -8.806 2.325 -7.076 1.00 0.00 C ATOM 357 OG SER A 24 -9.982 2.904 -7.619 1.00 0.00 O ATOM 0 H SER A 24 -11.038 0.664 -6.153 1.00 0.00 H new ATOM 0 HA SER A 24 -8.206 1.013 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.103 3.112 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.318 1.710 -7.832 1.00 0.00 H new ATOM 0 HG SER A 24 -9.749 3.445 -8.402 1.00 0.00 H new ATOM 363 N LEU A 25 -8.821 2.994 -3.972 1.00 0.00 N ATOM 364 CA LEU A 25 -9.249 3.863 -2.874 1.00 0.00 C ATOM 365 C LEU A 25 -8.372 5.112 -2.779 1.00 0.00 C ATOM 366 O LEU A 25 -7.290 5.170 -3.366 1.00 0.00 O ATOM 367 CB LEU A 25 -9.210 3.097 -1.548 1.00 0.00 C ATOM 368 CG LEU A 25 -10.417 2.189 -1.285 1.00 0.00 C ATOM 369 CD1 LEU A 25 -10.101 0.754 -1.683 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.830 2.262 0.177 1.00 0.00 C ATOM 0 H LEU A 25 -7.810 2.932 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.272 4.180 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.306 2.489 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.132 3.816 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.251 2.538 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.969 0.123 -1.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.855 0.717 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.253 0.393 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.688 1.611 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.000 1.939 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.098 3.288 0.429 1.00 0.00 H new ATOM 382 N GLN A 26 -8.847 6.109 -2.029 1.00 0.00 N ATOM 383 CA GLN A 26 -8.108 7.353 -1.851 1.00 0.00 C ATOM 384 C GLN A 26 -7.912 7.668 -0.373 1.00 0.00 C ATOM 385 O GLN A 26 -8.879 7.845 0.370 1.00 0.00 O ATOM 386 CB GLN A 26 -8.835 8.510 -2.543 1.00 0.00 C ATOM 387 CG GLN A 26 -8.255 8.866 -3.904 1.00 0.00 C ATOM 388 CD GLN A 26 -9.257 9.553 -4.815 1.00 0.00 C ATOM 389 OE1 GLN A 26 -10.452 9.612 -4.518 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.775 10.076 -5.937 1.00 0.00 N ATOM 0 H GLN A 26 -9.740 6.076 -1.537 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.126 7.228 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.886 8.248 -2.662 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.797 9.389 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.392 9.517 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.895 7.958 -4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.779 10.006 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.401 10.548 -6.590 1.00 0.00 H new ATOM 399 N LEU A 27 -6.649 7.743 0.044 1.00 0.00 N ATOM 400 CA LEU A 27 -6.308 8.041 1.432 1.00 0.00 C ATOM 401 C LEU A 27 -5.937 9.515 1.589 1.00 0.00 C ATOM 402 O LEU A 27 -5.290 10.096 0.715 1.00 0.00 O ATOM 403 CB LEU A 27 -5.140 7.162 1.897 1.00 0.00 C ATOM 404 CG LEU A 27 -5.256 5.675 1.546 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.884 5.098 1.222 1.00 0.00 C ATOM 406 CD2 LEU A 27 -5.906 4.904 2.687 1.00 0.00 C ATOM 0 H LEU A 27 -5.842 7.601 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.181 7.829 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.219 7.550 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.045 7.256 2.979 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.889 5.577 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.983 4.041 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.457 5.631 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.229 5.209 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.979 3.850 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.301 5.008 3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.904 5.301 2.873 1.00 0.00 H new ATOM 504 N THR A 35 6.107 11.600 6.473 1.00 0.00 N ATOM 505 CA THR A 35 5.477 10.303 6.236 1.00 0.00 C ATOM 506 C THR A 35 6.163 9.565 5.087 1.00 0.00 C ATOM 507 O THR A 35 6.632 10.183 4.128 1.00 0.00 O ATOM 508 CB THR A 35 3.985 10.485 5.925 1.00 0.00 C ATOM 509 OG1 THR A 35 3.382 11.381 6.842 1.00 0.00 O ATOM 510 CG2 THR A 35 3.199 9.191 5.965 1.00 0.00 C ATOM 0 HA THR A 35 5.582 9.705 7.141 1.00 0.00 H new ATOM 0 HB THR A 35 3.953 10.880 4.909 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.025 12.078 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.153 9.394 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.604 8.497 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.274 8.750 6.959 1.00 0.00 H new ATOM 518 N ASN A 36 6.213 8.238 5.192 1.00 0.00 N ATOM 519 CA ASN A 36 6.836 7.399 4.170 1.00 0.00 C ATOM 520 C ASN A 36 5.955 6.187 3.854 1.00 0.00 C ATOM 521 O ASN A 36 4.824 6.094 4.335 1.00 0.00 O ATOM 522 CB ASN A 36 8.229 6.948 4.636 1.00 0.00 C ATOM 523 CG ASN A 36 8.178 6.042 5.852 1.00 0.00 C ATOM 524 OD1 ASN A 36 8.299 4.824 5.734 1.00 0.00 O ATOM 525 ND2 ASN A 36 7.996 6.630 7.031 1.00 0.00 N ATOM 0 H ASN A 36 5.827 7.718 5.980 1.00 0.00 H new ATOM 0 HA ASN A 36 6.945 7.985 3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.728 6.425 3.820 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.831 7.826 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.952 6.067 7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.900 7.644 7.086 1.00 0.00 H new ATOM 532 N LEU A 37 6.474 5.265 3.038 1.00 0.00 N ATOM 533 CA LEU A 37 5.724 4.068 2.656 1.00 0.00 C ATOM 534 C LEU A 37 5.301 3.266 3.881 1.00 0.00 C ATOM 535 O LEU A 37 4.169 2.786 3.948 1.00 0.00 O ATOM 536 CB LEU A 37 6.557 3.188 1.721 1.00 0.00 C ATOM 537 CG LEU A 37 5.768 2.107 0.977 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.192 2.049 -0.482 1.00 0.00 C ATOM 539 CD2 LEU A 37 5.951 0.749 1.647 1.00 0.00 C ATOM 0 H LEU A 37 7.407 5.325 2.631 1.00 0.00 H new ATOM 0 HA LEU A 37 4.825 4.395 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.049 3.827 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.343 2.707 2.303 1.00 0.00 H new ATOM 0 HG LEU A 37 4.710 2.365 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.622 1.276 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.004 3.013 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.255 1.817 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.382 -0.005 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.007 0.480 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.594 0.800 2.676 1.00 0.00 H new ATOM 551 N ASN A 38 6.205 3.135 4.851 1.00 0.00 N ATOM 552 CA ASN A 38 5.912 2.402 6.082 1.00 0.00 C ATOM 553 C ASN A 38 4.676 2.987 6.762 1.00 0.00 C ATOM 554 O ASN A 38 3.858 2.257 7.325 1.00 0.00 O ATOM 555 CB ASN A 38 7.108 2.453 7.035 1.00 0.00 C ATOM 556 CG ASN A 38 7.051 1.370 8.096 1.00 0.00 C ATOM 557 OD1 ASN A 38 6.689 0.229 7.813 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.407 1.721 9.327 1.00 0.00 N ATOM 0 H ASN A 38 7.146 3.527 4.808 1.00 0.00 H new ATOM 0 HA ASN A 38 5.716 1.361 5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.030 2.348 6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.142 3.429 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.386 1.033 10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.701 2.679 9.519 1.00 0.00 H new ATOM 565 N GLY A 39 4.544 4.311 6.685 1.00 0.00 N ATOM 566 CA GLY A 39 3.405 4.988 7.270 1.00 0.00 C ATOM 567 C GLY A 39 2.174 4.895 6.386 1.00 0.00 C ATOM 568 O GLY A 39 1.052 4.819 6.887 1.00 0.00 O ATOM 0 H GLY A 39 5.213 4.927 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.185 4.552 8.245 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.653 6.036 7.438 1.00 0.00 H new ATOM 572 N LEU A 40 2.384 4.892 5.066 1.00 0.00 N ATOM 573 CA LEU A 40 1.277 4.799 4.117 1.00 0.00 C ATOM 574 C LEU A 40 0.576 3.448 4.236 1.00 0.00 C ATOM 575 O LEU A 40 -0.649 3.388 4.371 1.00 0.00 O ATOM 576 CB LEU A 40 1.773 5.016 2.684 1.00 0.00 C ATOM 577 CG LEU A 40 0.670 5.147 1.628 1.00 0.00 C ATOM 578 CD1 LEU A 40 -0.116 6.434 1.832 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.264 5.092 0.226 1.00 0.00 C ATOM 0 H LEU A 40 3.306 4.953 4.635 1.00 0.00 H new ATOM 0 HA LEU A 40 0.559 5.583 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.386 5.917 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.420 4.183 2.410 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.017 4.308 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.894 6.509 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.573 6.428 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.556 7.288 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.467 5.186 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.974 5.909 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.777 4.141 0.085 1.00 0.00 H new ATOM 591 N VAL A 41 1.356 2.365 4.196 1.00 0.00 N ATOM 592 CA VAL A 41 0.797 1.018 4.310 1.00 0.00 C ATOM 593 C VAL A 41 0.004 0.872 5.603 1.00 0.00 C ATOM 594 O VAL A 41 -1.175 0.536 5.572 1.00 0.00 O ATOM 595 CB VAL A 41 1.874 -0.094 4.249 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.165 -0.472 2.805 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.153 0.315 4.972 1.00 0.00 C ATOM 0 H VAL A 41 2.370 2.395 4.086 1.00 0.00 H new ATOM 0 HA VAL A 41 0.141 0.892 3.449 1.00 0.00 H new ATOM 0 HB VAL A 41 1.477 -0.968 4.766 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.924 -1.254 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.252 -0.836 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.528 0.403 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.882 -0.492 4.906 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.562 1.213 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.930 0.517 6.020 1.00 0.00 H new ATOM 607 N GLN A 42 0.656 1.136 6.736 1.00 0.00 N ATOM 608 CA GLN A 42 0.005 1.042 8.046 1.00 0.00 C ATOM 609 C GLN A 42 -1.335 1.787 8.058 1.00 0.00 C ATOM 610 O GLN A 42 -2.275 1.370 8.738 1.00 0.00 O ATOM 611 CB GLN A 42 0.919 1.602 9.139 1.00 0.00 C ATOM 612 CG GLN A 42 0.677 0.982 10.507 1.00 0.00 C ATOM 613 CD GLN A 42 0.963 1.940 11.645 1.00 0.00 C ATOM 614 OE1 GLN A 42 1.820 1.681 12.490 1.00 0.00 O ATOM 615 NE2 GLN A 42 0.242 3.056 11.678 1.00 0.00 N ATOM 0 H GLN A 42 1.636 1.417 6.774 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.187 -0.012 8.244 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.958 1.438 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.774 2.680 9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.358 0.648 10.571 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.305 0.098 10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.458 3.232 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.389 3.736 12.424 1.00 0.00 H new ATOM 624 N LEU A 43 -1.418 2.883 7.298 1.00 0.00 N ATOM 625 CA LEU A 43 -2.645 3.676 7.221 1.00 0.00 C ATOM 626 C LEU A 43 -3.742 2.941 6.442 1.00 0.00 C ATOM 627 O LEU A 43 -4.928 3.171 6.673 1.00 0.00 O ATOM 628 CB LEU A 43 -2.364 5.032 6.563 1.00 0.00 C ATOM 629 CG LEU A 43 -3.166 6.212 7.128 1.00 0.00 C ATOM 630 CD1 LEU A 43 -2.324 7.479 7.126 1.00 0.00 C ATOM 631 CD2 LEU A 43 -4.446 6.421 6.331 1.00 0.00 C ATOM 0 H LEU A 43 -0.650 3.240 6.729 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.998 3.834 8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.302 5.254 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.572 4.950 5.496 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.437 5.980 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.909 8.305 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.437 7.327 7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.022 7.713 6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.001 7.262 6.747 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.197 6.630 5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.058 5.521 6.384 1.00 0.00 H new ATOM 643 N LEU A 44 -3.346 2.064 5.515 1.00 0.00 N ATOM 644 CA LEU A 44 -4.312 1.313 4.710 1.00 0.00 C ATOM 645 C LEU A 44 -4.571 -0.084 5.278 1.00 0.00 C ATOM 646 O LEU A 44 -5.702 -0.557 5.243 1.00 0.00 O ATOM 647 CB LEU A 44 -3.852 1.229 3.244 1.00 0.00 C ATOM 648 CG LEU A 44 -2.879 0.090 2.905 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.634 -1.199 2.607 1.00 0.00 C ATOM 650 CD2 LEU A 44 -2.005 0.479 1.721 1.00 0.00 C ATOM 0 H LEU A 44 -2.369 1.858 5.305 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.256 1.857 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.735 1.125 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.379 2.174 2.978 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.240 -0.084 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.923 -1.991 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.220 -1.487 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.300 -1.043 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.320 -0.337 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.635 0.679 0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.434 1.374 1.969 1.00 0.00 H new ATOM 662 N LYS A 45 -3.533 -0.748 5.788 1.00 0.00 N ATOM 663 CA LYS A 45 -3.694 -2.092 6.341 1.00 0.00 C ATOM 664 C LYS A 45 -4.218 -2.048 7.778 1.00 0.00 C ATOM 665 O LYS A 45 -5.361 -2.413 8.033 1.00 0.00 O ATOM 666 CB LYS A 45 -2.385 -2.894 6.263 1.00 0.00 C ATOM 667 CG LYS A 45 -1.118 -2.075 6.465 1.00 0.00 C ATOM 668 CD LYS A 45 -0.033 -2.878 7.164 1.00 0.00 C ATOM 669 CE LYS A 45 1.174 -2.012 7.491 1.00 0.00 C ATOM 670 NZ LYS A 45 2.449 -2.777 7.406 1.00 0.00 N ATOM 0 H LYS A 45 -2.582 -0.382 5.829 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.437 -2.603 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.414 -3.683 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.333 -3.383 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.750 -1.730 5.499 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.349 -1.187 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.432 -3.310 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.274 -3.708 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.211 -1.167 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.064 -1.601 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.246 -2.150 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.425 -3.568 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.568 -3.148 6.442 1.00 0.00 H new ATOM 684 N THR A 46 -3.387 -1.598 8.717 1.00 0.00 N ATOM 685 CA THR A 46 -3.796 -1.519 10.122 1.00 0.00 C ATOM 686 C THR A 46 -5.117 -0.752 10.291 1.00 0.00 C ATOM 687 O THR A 46 -5.840 -0.967 11.264 1.00 0.00 O ATOM 688 CB THR A 46 -2.694 -0.871 10.968 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.437 -1.467 10.697 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.936 -0.982 12.458 1.00 0.00 C ATOM 0 H THR A 46 -2.434 -1.284 8.535 1.00 0.00 H new ATOM 0 HA THR A 46 -3.959 -2.539 10.471 1.00 0.00 H new ATOM 0 HB THR A 46 -2.703 0.183 10.690 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.822 -1.284 11.438 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.118 -0.503 12.996 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.875 -0.490 12.712 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.989 -2.033 12.741 1.00 0.00 H new ATOM 698 N ASN A 47 -5.429 0.137 9.342 1.00 0.00 N ATOM 699 CA ASN A 47 -6.664 0.917 9.401 1.00 0.00 C ATOM 700 C ASN A 47 -7.773 0.299 8.542 1.00 0.00 C ATOM 701 O ASN A 47 -8.945 0.340 8.920 1.00 0.00 O ATOM 702 CB ASN A 47 -6.400 2.356 8.955 1.00 0.00 C ATOM 703 CG ASN A 47 -6.829 3.373 9.997 1.00 0.00 C ATOM 704 OD1 ASN A 47 -7.957 3.863 9.975 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.927 3.698 10.918 1.00 0.00 N ATOM 0 H ASN A 47 -4.845 0.332 8.529 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.005 0.912 10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.337 2.480 8.747 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.932 2.548 8.023 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.160 4.377 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -5.002 3.268 10.900 1.00 0.00 H new ATOM 712 N TYR A 48 -7.405 -0.255 7.379 1.00 0.00 N ATOM 713 CA TYR A 48 -8.391 -0.856 6.475 1.00 0.00 C ATOM 714 C TYR A 48 -7.857 -2.122 5.790 1.00 0.00 C ATOM 715 O TYR A 48 -7.807 -2.203 4.560 1.00 0.00 O ATOM 716 CB TYR A 48 -8.818 0.168 5.417 1.00 0.00 C ATOM 717 CG TYR A 48 -10.044 0.962 5.799 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.267 0.335 5.993 1.00 0.00 C ATOM 719 CD2 TYR A 48 -9.979 2.338 5.964 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.392 1.057 6.338 1.00 0.00 C ATOM 721 CE2 TYR A 48 -11.099 3.070 6.310 1.00 0.00 C ATOM 722 CZ TYR A 48 -12.304 2.424 6.497 1.00 0.00 C ATOM 723 OH TYR A 48 -13.423 3.147 6.839 1.00 0.00 O ATOM 0 H TYR A 48 -6.442 -0.299 7.046 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.251 -1.149 7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.992 0.856 5.237 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.011 -0.352 4.478 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.340 -0.736 5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.037 2.846 5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.337 0.554 6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.032 4.141 6.433 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.190 4.096 6.912 1.00 0.00 H new ATOM 733 N VAL A 49 -7.471 -3.113 6.588 1.00 0.00 N ATOM 734 CA VAL A 49 -6.953 -4.378 6.053 1.00 0.00 C ATOM 735 C VAL A 49 -8.042 -5.447 5.997 1.00 0.00 C ATOM 736 O VAL A 49 -8.049 -6.277 5.087 1.00 0.00 O ATOM 737 CB VAL A 49 -5.759 -4.919 6.878 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.163 -5.197 8.321 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.181 -6.173 6.232 1.00 0.00 C ATOM 0 H VAL A 49 -7.505 -3.069 7.606 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.607 -4.158 5.043 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.988 -4.149 6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.303 -5.575 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.515 -4.275 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.961 -5.939 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.344 -6.536 6.828 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.950 -6.943 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.835 -5.937 5.226 1.00 0.00 H new ATOM 749 N LYS A 50 -8.951 -5.431 6.976 1.00 0.00 N ATOM 750 CA LYS A 50 -10.041 -6.408 7.049 1.00 0.00 C ATOM 751 C LYS A 50 -9.511 -7.776 7.483 1.00 0.00 C ATOM 752 O LYS A 50 -9.970 -8.338 8.479 1.00 0.00 O ATOM 753 CB LYS A 50 -10.771 -6.519 5.707 1.00 0.00 C ATOM 754 CG LYS A 50 -12.231 -6.107 5.775 1.00 0.00 C ATOM 755 CD LYS A 50 -13.158 -7.304 5.624 1.00 0.00 C ATOM 756 CE LYS A 50 -14.472 -7.088 6.358 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.617 -7.742 5.664 1.00 0.00 N ATOM 0 H LYS A 50 -8.953 -4.748 7.733 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.754 -6.059 7.796 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.260 -5.897 4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.708 -7.548 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.426 -5.613 6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.442 -5.381 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.356 -7.481 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.667 -8.197 6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.390 -7.482 7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.665 -6.019 6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.492 -7.569 6.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.713 -7.348 4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.446 -8.766 5.602 1.00 0.00 H new ATOM 771 N GLU A 51 -8.534 -8.298 6.741 1.00 0.00 N ATOM 772 CA GLU A 51 -7.928 -9.587 7.057 1.00 0.00 C ATOM 773 C GLU A 51 -6.707 -9.385 7.958 1.00 0.00 C ATOM 774 O GLU A 51 -6.402 -8.259 8.353 1.00 0.00 O ATOM 775 CB GLU A 51 -7.535 -10.319 5.770 1.00 0.00 C ATOM 776 CG GLU A 51 -7.815 -11.815 5.798 1.00 0.00 C ATOM 777 CD GLU A 51 -9.254 -12.133 6.160 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.133 -11.992 5.283 1.00 0.00 O ATOM 779 OE2 GLU A 51 -9.502 -12.521 7.322 1.00 0.00 O ATOM 0 H GLU A 51 -8.146 -7.844 5.914 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.655 -10.199 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.073 -9.875 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.472 -10.162 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.587 -12.242 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.149 -12.292 6.517 1.00 0.00 H new ATOM 786 N ARG A 52 -6.012 -10.473 8.284 1.00 0.00 N ATOM 787 CA ARG A 52 -4.831 -10.396 9.142 1.00 0.00 C ATOM 788 C ARG A 52 -3.763 -9.477 8.545 1.00 0.00 C ATOM 789 O ARG A 52 -3.546 -9.470 7.337 1.00 0.00 O ATOM 790 CB ARG A 52 -4.247 -11.792 9.375 1.00 0.00 C ATOM 791 CG ARG A 52 -5.114 -12.677 10.255 1.00 0.00 C ATOM 792 CD ARG A 52 -4.676 -14.130 10.186 1.00 0.00 C ATOM 793 NE ARG A 52 -3.344 -14.330 10.759 1.00 0.00 N ATOM 794 CZ ARG A 52 -3.077 -14.298 12.067 1.00 0.00 C ATOM 795 NH1 ARG A 52 -4.047 -14.060 12.947 1.00 0.00 N ATOM 796 NH2 ARG A 52 -1.836 -14.495 12.495 1.00 0.00 N ATOM 0 H ARG A 52 -6.245 -11.415 7.969 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.145 -9.975 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.103 -12.282 8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.263 -11.693 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.062 -12.329 11.287 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.155 -12.594 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.396 -14.751 10.718 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.677 -14.460 9.147 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.570 -14.505 10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.001 -13.901 12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.836 -14.037 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.087 -14.671 11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.631 -14.471 13.494 1.00 0.00 H new ATOM 810 N PRO A 53 -3.081 -8.682 9.392 1.00 0.00 N ATOM 811 CA PRO A 53 -2.034 -7.760 8.946 1.00 0.00 C ATOM 812 C PRO A 53 -0.683 -8.445 8.737 1.00 0.00 C ATOM 813 O PRO A 53 0.194 -7.903 8.063 1.00 0.00 O ATOM 814 CB PRO A 53 -1.950 -6.764 10.099 1.00 0.00 C ATOM 815 CG PRO A 53 -2.309 -7.558 11.309 1.00 0.00 C ATOM 816 CD PRO A 53 -3.281 -8.619 10.854 1.00 0.00 C ATOM 0 HA PRO A 53 -2.268 -7.315 7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.949 -6.341 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.637 -5.930 9.954 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.422 -8.010 11.754 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.759 -6.921 12.071 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.074 -9.579 11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.308 -8.354 11.106 1.00 0.00 H new ATOM 824 N ASP A 54 -0.513 -9.632 9.328 1.00 0.00 N ATOM 825 CA ASP A 54 0.740 -10.376 9.211 1.00 0.00 C ATOM 826 C ASP A 54 0.786 -11.263 7.963 1.00 0.00 C ATOM 827 O ASP A 54 1.728 -12.040 7.791 1.00 0.00 O ATOM 828 CB ASP A 54 0.963 -11.230 10.461 1.00 0.00 C ATOM 829 CG ASP A 54 2.193 -10.801 11.236 1.00 0.00 C ATOM 830 OD1 ASP A 54 3.304 -11.245 10.880 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.044 -10.013 12.194 1.00 0.00 O ATOM 0 H ASP A 54 -1.227 -10.095 9.890 1.00 0.00 H new ATOM 0 HA ASP A 54 1.538 -9.640 9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.087 -11.162 11.106 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.065 -12.276 10.171 1.00 0.00 H new ATOM 836 N LEU A 55 -0.216 -11.151 7.088 1.00 0.00 N ATOM 837 CA LEU A 55 -0.245 -11.953 5.867 1.00 0.00 C ATOM 838 C LEU A 55 0.445 -11.234 4.706 1.00 0.00 C ATOM 839 O LEU A 55 0.878 -11.874 3.746 1.00 0.00 O ATOM 840 CB LEU A 55 -1.684 -12.319 5.486 1.00 0.00 C ATOM 841 CG LEU A 55 -2.617 -11.143 5.182 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.444 -10.670 3.747 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.064 -11.537 5.436 1.00 0.00 C ATOM 0 H LEU A 55 -1.009 -10.520 7.202 1.00 0.00 H new ATOM 0 HA LEU A 55 0.306 -12.872 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.653 -12.968 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.118 -12.900 6.300 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.354 -10.320 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.117 -9.834 3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.414 -10.349 3.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.677 -11.487 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.715 -10.691 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.330 -12.377 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.185 -11.826 6.480 1.00 0.00 H new ATOM 855 N LEU A 56 0.548 -9.904 4.792 1.00 0.00 N ATOM 856 CA LEU A 56 1.188 -9.120 3.734 1.00 0.00 C ATOM 857 C LEU A 56 2.614 -8.735 4.107 1.00 0.00 C ATOM 858 O LEU A 56 3.525 -8.879 3.297 1.00 0.00 O ATOM 859 CB LEU A 56 0.392 -7.851 3.409 1.00 0.00 C ATOM 860 CG LEU A 56 -0.241 -7.124 4.601 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.299 -5.625 4.340 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.633 -7.672 4.887 1.00 0.00 C ATOM 0 H LEU A 56 0.200 -9.353 5.576 1.00 0.00 H new ATOM 0 HA LEU A 56 1.212 -9.758 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.054 -7.154 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.400 -8.114 2.708 1.00 0.00 H new ATOM 0 HG LEU A 56 0.381 -7.298 5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.751 -5.124 5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.710 -5.243 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.898 -5.434 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.065 -7.143 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.267 -7.531 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.565 -8.735 5.118 1.00 0.00 H new ATOM 874 N VAL A 57 2.800 -8.228 5.325 1.00 0.00 N ATOM 875 CA VAL A 57 4.125 -7.812 5.782 1.00 0.00 C ATOM 876 C VAL A 57 5.138 -8.942 5.658 1.00 0.00 C ATOM 877 O VAL A 57 4.791 -10.122 5.744 1.00 0.00 O ATOM 878 CB VAL A 57 4.114 -7.313 7.241 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.570 -5.896 7.317 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.317 -8.257 8.130 1.00 0.00 C ATOM 0 H VAL A 57 2.055 -8.096 6.009 1.00 0.00 H new ATOM 0 HA VAL A 57 4.417 -6.986 5.133 1.00 0.00 H new ATOM 0 HB VAL A 57 5.141 -7.300 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.570 -5.561 8.354 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.198 -5.233 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.551 -5.876 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.323 -7.884 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.289 -8.314 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.767 -9.250 8.102 1.00 0.00 H new ATOM 890 N ASP A 58 6.394 -8.564 5.456 1.00 0.00 N ATOM 891 CA ASP A 58 7.480 -9.529 5.318 1.00 0.00 C ATOM 892 C ASP A 58 7.699 -10.294 6.620 1.00 0.00 C ATOM 893 O ASP A 58 7.637 -11.525 6.644 1.00 0.00 O ATOM 894 CB ASP A 58 8.770 -8.817 4.903 1.00 0.00 C ATOM 895 CG ASP A 58 9.846 -9.784 4.454 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.736 -10.313 3.327 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.796 -10.016 5.230 1.00 0.00 O ATOM 0 H ASP A 58 6.688 -7.590 5.384 1.00 0.00 H new ATOM 0 HA ASP A 58 7.203 -10.244 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.552 -8.119 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.142 -8.228 5.741 1.00 0.00 H new ATOM 902 N GLN A 59 7.946 -9.554 7.702 1.00 0.00 N ATOM 903 CA GLN A 59 8.166 -10.159 9.016 1.00 0.00 C ATOM 904 C GLN A 59 8.289 -9.092 10.101 1.00 0.00 C ATOM 905 O GLN A 59 7.700 -9.218 11.176 1.00 0.00 O ATOM 906 CB GLN A 59 9.421 -11.038 9.010 1.00 0.00 C ATOM 907 CG GLN A 59 9.625 -11.817 10.300 1.00 0.00 C ATOM 908 CD GLN A 59 10.929 -12.590 10.316 1.00 0.00 C ATOM 909 OE1 GLN A 59 10.949 -13.799 10.094 1.00 0.00 O ATOM 910 NE2 GLN A 59 12.028 -11.892 10.582 1.00 0.00 N ATOM 0 H GLN A 59 7.999 -8.535 7.694 1.00 0.00 H new ATOM 0 HA GLN A 59 7.299 -10.782 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.359 -11.739 8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.294 -10.409 8.833 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.606 -11.127 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.795 -12.510 10.436 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.965 -10.890 10.760 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.935 -12.359 10.608 1.00 0.00 H new ATOM 919 N THR A 60 9.056 -8.041 9.813 1.00 0.00 N ATOM 920 CA THR A 60 9.256 -6.950 10.762 1.00 0.00 C ATOM 921 C THR A 60 8.111 -5.926 10.700 1.00 0.00 C ATOM 922 O THR A 60 8.204 -4.853 11.298 1.00 0.00 O ATOM 923 CB THR A 60 10.608 -6.266 10.505 1.00 0.00 C ATOM 924 OG1 THR A 60 10.871 -5.269 11.479 1.00 0.00 O ATOM 925 CG2 THR A 60 10.709 -5.616 9.139 1.00 0.00 C ATOM 0 H THR A 60 9.549 -7.923 8.928 1.00 0.00 H new ATOM 0 HA THR A 60 9.258 -7.376 11.765 1.00 0.00 H new ATOM 0 HB THR A 60 11.343 -7.069 10.560 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.033 -4.827 11.729 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.690 -5.153 9.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.575 -6.372 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.935 -4.855 9.040 1.00 0.00 H new ATOM 933 N GLY A 61 7.034 -6.261 9.977 1.00 0.00 N ATOM 934 CA GLY A 61 5.901 -5.357 9.860 1.00 0.00 C ATOM 935 C GLY A 61 6.287 -3.998 9.301 1.00 0.00 C ATOM 936 O GLY A 61 5.593 -3.007 9.532 1.00 0.00 O ATOM 0 H GLY A 61 6.931 -7.142 9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.147 -5.809 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.445 -5.225 10.841 1.00 0.00 H new ATOM 940 N GLN A 62 7.397 -3.957 8.567 1.00 0.00 N ATOM 941 CA GLN A 62 7.886 -2.715 7.972 1.00 0.00 C ATOM 942 C GLN A 62 7.739 -2.756 6.456 1.00 0.00 C ATOM 943 O GLN A 62 7.281 -1.794 5.835 1.00 0.00 O ATOM 944 CB GLN A 62 9.352 -2.494 8.355 1.00 0.00 C ATOM 945 CG GLN A 62 9.868 -1.089 8.072 1.00 0.00 C ATOM 946 CD GLN A 62 11.374 -0.976 8.245 1.00 0.00 C ATOM 947 OE1 GLN A 62 12.097 -1.968 8.157 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.857 0.237 8.494 1.00 0.00 N ATOM 0 H GLN A 62 7.977 -4.773 8.370 1.00 0.00 H new ATOM 0 HA GLN A 62 7.290 -1.886 8.354 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.474 -2.706 9.417 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.969 -3.211 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.600 -0.805 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.375 -0.383 8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.224 1.034 8.559 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.860 0.370 8.620 1.00 0.00 H new ATOM 957 N THR A 63 8.119 -3.887 5.869 1.00 0.00 N ATOM 958 CA THR A 63 8.023 -4.078 4.426 1.00 0.00 C ATOM 959 C THR A 63 7.019 -5.184 4.109 1.00 0.00 C ATOM 960 O THR A 63 6.585 -5.910 5.006 1.00 0.00 O ATOM 961 CB THR A 63 9.402 -4.414 3.841 1.00 0.00 C ATOM 962 OG1 THR A 63 9.331 -4.568 2.433 1.00 0.00 O ATOM 963 CG2 THR A 63 10.009 -5.678 4.416 1.00 0.00 C ATOM 0 H THR A 63 8.498 -4.688 6.374 1.00 0.00 H new ATOM 0 HA THR A 63 7.673 -3.152 3.969 1.00 0.00 H new ATOM 0 HB THR A 63 10.039 -3.572 4.111 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.221 -4.780 2.082 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.982 -5.855 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.130 -5.566 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.352 -6.523 4.210 1.00 0.00 H new ATOM 971 N LEU A 64 6.647 -5.306 2.839 1.00 0.00 N ATOM 972 CA LEU A 64 5.690 -6.326 2.419 1.00 0.00 C ATOM 973 C LEU A 64 6.402 -7.564 1.882 1.00 0.00 C ATOM 974 O LEU A 64 7.530 -7.481 1.391 1.00 0.00 O ATOM 975 CB LEU A 64 4.744 -5.766 1.350 1.00 0.00 C ATOM 976 CG LEU A 64 3.568 -4.929 1.873 1.00 0.00 C ATOM 977 CD1 LEU A 64 2.470 -4.856 0.824 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.020 -5.507 3.172 1.00 0.00 C ATOM 0 H LEU A 64 6.992 -4.713 2.084 1.00 0.00 H new ATOM 0 HA LEU A 64 5.109 -6.616 3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.326 -5.152 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.344 -6.600 0.773 1.00 0.00 H new ATOM 0 HG LEU A 64 3.931 -3.922 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.641 -4.260 1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.862 -4.394 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.118 -5.862 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.188 -4.895 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.673 -6.526 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.806 -5.514 3.927 1.00 0.00 H new ATOM 990 N ARG A 65 5.732 -8.712 1.983 1.00 0.00 N ATOM 991 CA ARG A 65 6.291 -9.981 1.510 1.00 0.00 C ATOM 992 C ARG A 65 6.666 -9.913 0.027 1.00 0.00 C ATOM 993 O ARG A 65 6.112 -9.113 -0.730 1.00 0.00 O ATOM 994 CB ARG A 65 5.300 -11.130 1.743 1.00 0.00 C ATOM 995 CG ARG A 65 3.901 -10.864 1.205 1.00 0.00 C ATOM 996 CD ARG A 65 3.626 -11.648 -0.069 1.00 0.00 C ATOM 997 NE ARG A 65 3.379 -13.065 0.195 1.00 0.00 N ATOM 998 CZ ARG A 65 2.224 -13.550 0.661 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.205 -12.735 0.925 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.088 -14.856 0.869 1.00 0.00 N ATOM 0 H ARG A 65 4.799 -8.790 2.389 1.00 0.00 H new ATOM 0 HA ARG A 65 7.199 -10.169 2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.692 -12.033 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.235 -11.328 2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.164 -11.131 1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.784 -9.798 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.763 -11.219 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.476 -11.549 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 65 4.135 -13.724 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.302 -11.731 0.772 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.327 -13.114 1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.865 -15.487 0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.207 -15.227 1.225 1.00 0.00 H new ATOM 1014 N PRO A 66 7.617 -10.768 -0.405 1.00 0.00 N ATOM 1015 CA PRO A 66 8.076 -10.822 -1.803 1.00 0.00 C ATOM 1016 C PRO A 66 6.953 -11.155 -2.778 1.00 0.00 C ATOM 1017 O PRO A 66 6.921 -10.643 -3.897 1.00 0.00 O ATOM 1018 CB PRO A 66 9.125 -11.941 -1.801 1.00 0.00 C ATOM 1019 CG PRO A 66 8.860 -12.730 -0.565 1.00 0.00 C ATOM 1020 CD PRO A 66 8.315 -11.754 0.437 1.00 0.00 C ATOM 0 HA PRO A 66 8.462 -9.857 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.037 -12.564 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.135 -11.532 -1.797 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.146 -13.531 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.773 -13.198 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.636 -12.235 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.109 -11.293 1.024 1.00 0.00 H new ATOM 1028 N GLY A 67 6.039 -12.018 -2.338 1.00 0.00 N ATOM 1029 CA GLY A 67 4.911 -12.423 -3.165 1.00 0.00 C ATOM 1030 C GLY A 67 4.223 -11.255 -3.861 1.00 0.00 C ATOM 1031 O GLY A 67 3.784 -11.388 -5.003 1.00 0.00 O ATOM 0 H GLY A 67 6.060 -12.448 -1.413 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.257 -13.132 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.184 -12.946 -2.544 1.00 0.00 H new ATOM 1035 N ILE A 68 4.133 -10.111 -3.180 1.00 0.00 N ATOM 1036 CA ILE A 68 3.500 -8.926 -3.756 1.00 0.00 C ATOM 1037 C ILE A 68 4.549 -7.928 -4.239 1.00 0.00 C ATOM 1038 O ILE A 68 5.554 -7.694 -3.566 1.00 0.00 O ATOM 1039 CB ILE A 68 2.570 -8.224 -2.743 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.585 -9.220 -2.128 1.00 0.00 C ATOM 1041 CG2 ILE A 68 1.816 -7.080 -3.410 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.405 -9.037 -0.637 1.00 0.00 C ATOM 0 H ILE A 68 4.489 -9.981 -2.233 1.00 0.00 H new ATOM 0 HA ILE A 68 2.903 -9.269 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 68 3.189 -7.814 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.618 -9.115 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.934 -10.234 -2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.166 -6.598 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.528 -6.352 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.213 -7.471 -4.230 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.694 -9.774 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.364 -9.170 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.027 -8.034 -0.436 1.00 0.00 H new ATOM 1054 N LEU A 69 4.305 -7.339 -5.409 1.00 0.00 N ATOM 1055 CA LEU A 69 5.227 -6.363 -5.983 1.00 0.00 C ATOM 1056 C LEU A 69 4.668 -4.945 -5.854 1.00 0.00 C ATOM 1057 O LEU A 69 3.680 -4.597 -6.505 1.00 0.00 O ATOM 1058 CB LEU A 69 5.506 -6.692 -7.452 1.00 0.00 C ATOM 1059 CG LEU A 69 6.739 -7.568 -7.696 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.516 -8.488 -8.887 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.973 -6.702 -7.910 1.00 0.00 C ATOM 0 H LEU A 69 3.477 -7.521 -5.977 1.00 0.00 H new ATOM 0 HA LEU A 69 6.164 -6.413 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.633 -7.195 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.628 -5.758 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 69 6.902 -8.187 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.403 -9.102 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.658 -9.132 -8.693 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.327 -7.890 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.840 -7.340 -8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.820 -6.057 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.144 -6.088 -7.026 1.00 0.00 H new ATOM 1073 N VAL A 70 5.308 -4.135 -5.008 1.00 0.00 N ATOM 1074 CA VAL A 70 4.880 -2.753 -4.789 1.00 0.00 C ATOM 1075 C VAL A 70 5.389 -1.833 -5.901 1.00 0.00 C ATOM 1076 O VAL A 70 6.589 -1.785 -6.184 1.00 0.00 O ATOM 1077 CB VAL A 70 5.361 -2.207 -3.424 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.639 -2.903 -2.277 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.870 -2.354 -3.282 1.00 0.00 C ATOM 0 H VAL A 70 6.125 -4.413 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 70 3.790 -2.764 -4.796 1.00 0.00 H new ATOM 0 HB VAL A 70 5.119 -1.145 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.994 -2.503 -1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.566 -2.732 -2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.840 -3.974 -2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.184 -1.963 -2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.141 -3.407 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.366 -1.797 -4.077 1.00 0.00 H new ATOM 1089 N LEU A 71 4.468 -1.107 -6.530 1.00 0.00 N ATOM 1090 CA LEU A 71 4.817 -0.191 -7.619 1.00 0.00 C ATOM 1091 C LEU A 71 4.342 1.230 -7.323 1.00 0.00 C ATOM 1092 O LEU A 71 3.164 1.455 -7.033 1.00 0.00 O ATOM 1093 CB LEU A 71 4.210 -0.669 -8.946 1.00 0.00 C ATOM 1094 CG LEU A 71 4.115 -2.189 -9.126 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.500 -2.524 -10.477 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.486 -2.834 -8.990 1.00 0.00 C ATOM 0 H LEU A 71 3.473 -1.134 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 71 5.904 -0.184 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.209 -0.248 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.805 -0.261 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 71 3.472 -2.588 -8.342 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.439 -3.606 -10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.499 -2.096 -10.538 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.120 -2.110 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.395 -3.912 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.155 -2.431 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.891 -2.622 -8.001 1.00 0.00 H new ATOM 1108 N VAL A 72 5.267 2.184 -7.408 1.00 0.00 N ATOM 1109 CA VAL A 72 4.958 3.589 -7.164 1.00 0.00 C ATOM 1110 C VAL A 72 4.904 4.364 -8.481 1.00 0.00 C ATOM 1111 O VAL A 72 5.943 4.697 -9.055 1.00 0.00 O ATOM 1112 CB VAL A 72 6.002 4.249 -6.235 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.579 5.665 -5.868 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.218 3.414 -4.981 1.00 0.00 C ATOM 0 H VAL A 72 6.243 2.006 -7.646 1.00 0.00 H new ATOM 0 HA VAL A 72 3.984 3.622 -6.675 1.00 0.00 H new ATOM 0 HB VAL A 72 6.947 4.302 -6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.328 6.111 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.487 6.264 -6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.619 5.636 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.957 3.899 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.277 3.321 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.575 2.423 -5.261 1.00 0.00 H new ATOM 1124 N ASN A 73 3.688 4.637 -8.960 1.00 0.00 N ATOM 1125 CA ASN A 73 3.494 5.365 -10.216 1.00 0.00 C ATOM 1126 C ASN A 73 4.207 4.657 -11.373 1.00 0.00 C ATOM 1127 O ASN A 73 5.036 5.249 -12.069 1.00 0.00 O ATOM 1128 CB ASN A 73 3.990 6.811 -10.080 1.00 0.00 C ATOM 1129 CG ASN A 73 3.058 7.808 -10.743 1.00 0.00 C ATOM 1130 OD1 ASN A 73 3.227 8.151 -11.913 1.00 0.00 O ATOM 1131 ND2 ASN A 73 2.063 8.280 -9.997 1.00 0.00 N ATOM 0 H ASN A 73 2.822 4.364 -8.496 1.00 0.00 H new ATOM 0 HA ASN A 73 2.427 5.385 -10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.091 7.060 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.982 6.895 -10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.405 8.952 -10.391 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.958 7.970 -9.031 1.00 0.00 H new ATOM 1138 N SER A 74 3.875 3.377 -11.568 1.00 0.00 N ATOM 1139 CA SER A 74 4.470 2.565 -12.632 1.00 0.00 C ATOM 1140 C SER A 74 5.989 2.443 -12.463 1.00 0.00 C ATOM 1141 O SER A 74 6.741 2.509 -13.440 1.00 0.00 O ATOM 1142 CB SER A 74 4.136 3.155 -14.006 1.00 0.00 C ATOM 1143 OG SER A 74 2.753 3.453 -14.115 1.00 0.00 O ATOM 0 H SER A 74 3.192 2.879 -10.998 1.00 0.00 H new ATOM 0 HA SER A 74 4.043 1.564 -12.562 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.720 4.061 -14.167 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.421 2.450 -14.786 1.00 0.00 H new ATOM 0 HG SER A 74 2.568 3.830 -15.001 1.00 0.00 H new ATOM 1149 N CYS A 75 6.435 2.252 -11.220 1.00 0.00 N ATOM 1150 CA CYS A 75 7.860 2.111 -10.924 1.00 0.00 C ATOM 1151 C CYS A 75 8.065 1.423 -9.574 1.00 0.00 C ATOM 1152 O CYS A 75 7.621 1.926 -8.542 1.00 0.00 O ATOM 1153 CB CYS A 75 8.546 3.483 -10.925 1.00 0.00 C ATOM 1154 SG CYS A 75 10.325 3.419 -10.600 1.00 0.00 S ATOM 0 H CYS A 75 5.828 2.192 -10.402 1.00 0.00 H new ATOM 0 HA CYS A 75 8.309 1.493 -11.701 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.381 3.959 -11.891 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.073 4.115 -10.173 1.00 0.00 H new ATOM 0 HG CYS A 75 10.814 4.623 -10.624 1.00 0.00 H new ATOM 1160 N ASP A 76 8.733 0.265 -9.590 1.00 0.00 N ATOM 1161 CA ASP A 76 8.992 -0.500 -8.365 1.00 0.00 C ATOM 1162 C ASP A 76 9.534 0.396 -7.249 1.00 0.00 C ATOM 1163 O ASP A 76 10.514 1.117 -7.440 1.00 0.00 O ATOM 1164 CB ASP A 76 9.979 -1.643 -8.638 1.00 0.00 C ATOM 1165 CG ASP A 76 9.288 -2.982 -8.834 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.344 -3.282 -8.073 1.00 0.00 O ATOM 1167 OD2 ASP A 76 9.696 -3.731 -9.743 1.00 0.00 O ATOM 0 H ASP A 76 9.104 -0.164 -10.438 1.00 0.00 H new ATOM 0 HA ASP A 76 8.041 -0.919 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.564 -1.407 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.679 -1.719 -7.806 1.00 0.00 H new ATOM 1172 N ALA A 77 8.880 0.345 -6.088 1.00 0.00 N ATOM 1173 CA ALA A 77 9.283 1.151 -4.934 1.00 0.00 C ATOM 1174 C ALA A 77 10.629 0.705 -4.368 1.00 0.00 C ATOM 1175 O ALA A 77 11.360 1.510 -3.791 1.00 0.00 O ATOM 1176 CB ALA A 77 8.221 1.088 -3.847 1.00 0.00 C ATOM 0 H ALA A 77 8.067 -0.248 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 77 9.390 2.179 -5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.535 1.692 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.278 1.472 -4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.087 0.054 -3.528 1.00 0.00 H new ATOM 1182 N GLU A 78 10.953 -0.579 -4.531 1.00 0.00 N ATOM 1183 CA GLU A 78 12.210 -1.126 -4.029 1.00 0.00 C ATOM 1184 C GLU A 78 13.393 -0.597 -4.825 1.00 0.00 C ATOM 1185 O GLU A 78 14.512 -0.535 -4.314 1.00 0.00 O ATOM 1186 CB GLU A 78 12.193 -2.657 -4.066 1.00 0.00 C ATOM 1187 CG GLU A 78 11.997 -3.242 -5.457 1.00 0.00 C ATOM 1188 CD GLU A 78 11.268 -4.573 -5.435 1.00 0.00 C ATOM 1189 OE1 GLU A 78 11.642 -5.445 -4.622 1.00 0.00 O ATOM 1190 OE2 GLU A 78 10.324 -4.745 -6.232 1.00 0.00 O ATOM 0 H GLU A 78 10.360 -1.258 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 78 12.320 -0.804 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 78 13.131 -3.030 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.395 -3.017 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.436 -2.535 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.969 -3.373 -5.932 1.00 0.00 H new ATOM 1197 N VAL A 79 13.142 -0.205 -6.074 1.00 0.00 N ATOM 1198 CA VAL A 79 14.194 0.328 -6.923 1.00 0.00 C ATOM 1199 C VAL A 79 14.833 1.565 -6.285 1.00 0.00 C ATOM 1200 O VAL A 79 16.017 1.835 -6.490 1.00 0.00 O ATOM 1201 CB VAL A 79 13.669 0.695 -8.328 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.812 1.157 -9.221 1.00 0.00 C ATOM 1203 CG2 VAL A 79 12.938 -0.484 -8.958 1.00 0.00 C ATOM 0 H VAL A 79 12.223 -0.248 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 79 14.942 -0.457 -7.028 1.00 0.00 H new ATOM 0 HB VAL A 79 12.960 1.516 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.423 1.411 -10.207 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.286 2.034 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.546 0.357 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.577 -0.202 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.620 -1.329 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.093 -0.766 -8.330 1.00 0.00 H new ATOM 1213 N VAL A 80 14.039 2.310 -5.511 1.00 0.00 N ATOM 1214 CA VAL A 80 14.526 3.517 -4.845 1.00 0.00 C ATOM 1215 C VAL A 80 14.612 3.338 -3.325 1.00 0.00 C ATOM 1216 O VAL A 80 15.533 3.852 -2.689 1.00 0.00 O ATOM 1217 CB VAL A 80 13.631 4.736 -5.161 1.00 0.00 C ATOM 1218 CG1 VAL A 80 13.691 5.062 -6.646 1.00 0.00 C ATOM 1219 CG2 VAL A 80 12.192 4.488 -4.722 1.00 0.00 C ATOM 0 H VAL A 80 13.058 2.097 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 80 15.529 3.696 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 80 14.008 5.591 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.056 5.923 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.719 5.292 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.341 4.205 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.584 5.362 -4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.796 3.619 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.166 4.305 -3.648 1.00 0.00 H new ATOM 1229 N GLY A 81 13.646 2.617 -2.747 1.00 0.00 N ATOM 1230 CA GLY A 81 13.641 2.403 -1.308 1.00 0.00 C ATOM 1231 C GLY A 81 13.039 1.067 -0.907 1.00 0.00 C ATOM 1232 O GLY A 81 13.720 0.229 -0.315 1.00 0.00 O ATOM 0 H GLY A 81 12.872 2.181 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.663 2.461 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.081 3.206 -0.829 1.00 0.00 H new ATOM 1236 N GLY A 82 11.761 0.876 -1.226 1.00 0.00 N ATOM 1237 CA GLY A 82 11.080 -0.363 -0.889 1.00 0.00 C ATOM 1238 C GLY A 82 10.008 -0.162 0.164 1.00 0.00 C ATOM 1239 O GLY A 82 8.824 -0.376 -0.101 1.00 0.00 O ATOM 0 H GLY A 82 11.183 1.560 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.629 -0.783 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.809 -1.089 -0.529 1.00 0.00 H new ATOM 1243 N MET A 83 10.424 0.253 1.360 1.00 0.00 N ATOM 1244 CA MET A 83 9.490 0.488 2.460 1.00 0.00 C ATOM 1245 C MET A 83 9.785 1.815 3.172 1.00 0.00 C ATOM 1246 O MET A 83 9.417 1.994 4.334 1.00 0.00 O ATOM 1247 CB MET A 83 9.540 -0.680 3.457 1.00 0.00 C ATOM 1248 CG MET A 83 10.927 -0.957 4.026 1.00 0.00 C ATOM 1249 SD MET A 83 11.902 -2.063 2.984 1.00 0.00 S ATOM 1250 CE MET A 83 12.818 -2.978 4.222 1.00 0.00 C ATOM 0 H MET A 83 11.401 0.433 1.592 1.00 0.00 H new ATOM 0 HA MET A 83 8.486 0.553 2.041 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.857 -0.470 4.280 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.176 -1.581 2.963 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.460 -0.014 4.146 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.827 -1.395 5.019 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.821 -3.189 3.851 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.886 -2.387 5.135 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.305 -3.916 4.435 1.00 0.00 H new ATOM 1260 N ASP A 84 10.446 2.742 2.469 1.00 0.00 N ATOM 1261 CA ASP A 84 10.779 4.045 3.044 1.00 0.00 C ATOM 1262 C ASP A 84 10.547 5.188 2.044 1.00 0.00 C ATOM 1263 O ASP A 84 11.158 6.253 2.158 1.00 0.00 O ATOM 1264 CB ASP A 84 12.237 4.047 3.523 1.00 0.00 C ATOM 1265 CG ASP A 84 12.515 5.139 4.539 1.00 0.00 C ATOM 1266 OD1 ASP A 84 11.767 5.231 5.537 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.481 5.903 4.338 1.00 0.00 O ATOM 0 H ASP A 84 10.758 2.613 1.507 1.00 0.00 H new ATOM 0 HA ASP A 84 10.116 4.214 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.473 3.078 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.897 4.177 2.666 1.00 0.00 H new ATOM 1272 N TYR A 85 9.663 4.965 1.069 1.00 0.00 N ATOM 1273 CA TYR A 85 9.357 5.979 0.058 1.00 0.00 C ATOM 1274 C TYR A 85 8.557 7.141 0.656 1.00 0.00 C ATOM 1275 O TYR A 85 7.449 6.950 1.158 1.00 0.00 O ATOM 1276 CB TYR A 85 8.583 5.350 -1.103 1.00 0.00 C ATOM 1277 CG TYR A 85 8.582 6.194 -2.357 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.665 6.183 -3.226 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.498 7.004 -2.671 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.668 6.954 -4.371 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.495 7.777 -3.813 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.581 7.751 -4.661 1.00 0.00 C ATOM 1283 OH TYR A 85 8.579 8.522 -5.800 1.00 0.00 O ATOM 0 H TYR A 85 9.147 4.092 0.958 1.00 0.00 H new ATOM 0 HA TYR A 85 10.301 6.377 -0.314 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.015 4.376 -1.331 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.553 5.177 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.519 5.561 -3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.644 7.029 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.518 6.933 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.644 8.401 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 85 7.738 9.022 -5.855 1.00 0.00 H new ATOM 1293 N VAL A 86 9.135 8.346 0.598 1.00 0.00 N ATOM 1294 CA VAL A 86 8.489 9.551 1.136 1.00 0.00 C ATOM 1295 C VAL A 86 7.174 9.871 0.417 1.00 0.00 C ATOM 1296 O VAL A 86 6.887 9.321 -0.647 1.00 0.00 O ATOM 1297 CB VAL A 86 9.422 10.782 1.053 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.664 10.576 1.910 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.809 11.078 -0.391 1.00 0.00 C ATOM 0 H VAL A 86 10.051 8.514 0.183 1.00 0.00 H new ATOM 0 HA VAL A 86 8.272 9.334 2.182 1.00 0.00 H new ATOM 0 HB VAL A 86 8.877 11.643 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.306 11.454 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.369 10.428 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.207 9.699 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.465 11.948 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.328 10.217 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.911 11.281 -0.974 1.00 0.00 H new ATOM 1309 N LEU A 87 6.374 10.762 1.015 1.00 0.00 N ATOM 1310 CA LEU A 87 5.082 11.155 0.444 1.00 0.00 C ATOM 1311 C LEU A 87 5.059 12.643 0.072 1.00 0.00 C ATOM 1312 O LEU A 87 5.781 13.451 0.658 1.00 0.00 O ATOM 1313 CB LEU A 87 3.958 10.847 1.442 1.00 0.00 C ATOM 1314 CG LEU A 87 3.103 9.622 1.100 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.519 8.424 1.941 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.627 9.931 1.303 1.00 0.00 C ATOM 0 H LEU A 87 6.600 11.225 1.896 1.00 0.00 H new ATOM 0 HA LEU A 87 4.929 10.581 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.399 10.699 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.306 11.718 1.512 1.00 0.00 H new ATOM 0 HG LEU A 87 3.263 9.374 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.900 7.565 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.565 8.188 1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.391 8.659 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.034 9.051 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.453 10.206 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.336 10.758 0.656 1.00 0.00 H new ATOM 1328 N ASN A 88 4.216 12.995 -0.909 1.00 0.00 N ATOM 1329 CA ASN A 88 4.091 14.385 -1.365 1.00 0.00 C ATOM 1330 C ASN A 88 2.735 14.641 -2.040 1.00 0.00 C ATOM 1331 O ASN A 88 2.643 15.451 -2.963 1.00 0.00 O ATOM 1332 CB ASN A 88 5.227 14.726 -2.337 1.00 0.00 C ATOM 1333 CG ASN A 88 6.425 15.344 -1.641 1.00 0.00 C ATOM 1334 OD1 ASN A 88 7.530 14.803 -1.689 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.212 16.480 -0.989 1.00 0.00 N ATOM 0 H ASN A 88 3.612 12.337 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 88 4.156 15.027 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.540 13.820 -2.856 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.856 15.416 -3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.981 16.940 -0.501 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.280 16.893 -0.976 1.00 0.00 H new ATOM 1342 N ASP A 89 1.687 13.950 -1.570 1.00 0.00 N ATOM 1343 CA ASP A 89 0.334 14.096 -2.117 1.00 0.00 C ATOM 1344 C ASP A 89 0.269 13.623 -3.569 1.00 0.00 C ATOM 1345 O ASP A 89 0.835 14.252 -4.466 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.144 15.547 -2.025 1.00 0.00 C ATOM 1347 CG ASP A 89 0.002 16.125 -0.631 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.603 15.569 0.311 1.00 0.00 O ATOM 1349 OD2 ASP A 89 0.715 17.138 -0.481 1.00 0.00 O ATOM 0 H ASP A 89 1.754 13.279 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.326 13.470 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.423 16.157 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.190 15.600 -2.328 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.431 12.514 -3.789 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.568 11.965 -5.130 1.00 0.00 C ATOM 1356 C GLY A 90 0.369 10.797 -5.376 1.00 0.00 C ATOM 1357 O GLY A 90 0.822 10.585 -6.504 1.00 0.00 O ATOM 0 H GLY A 90 -0.908 11.983 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.597 11.640 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.369 12.748 -5.862 1.00 0.00 H new ATOM 1361 N ASP A 91 0.659 10.036 -4.319 1.00 0.00 N ATOM 1362 CA ASP A 91 1.547 8.883 -4.420 1.00 0.00 C ATOM 1363 C ASP A 91 0.754 7.623 -4.756 1.00 0.00 C ATOM 1364 O ASP A 91 -0.036 7.140 -3.944 1.00 0.00 O ATOM 1365 CB ASP A 91 2.318 8.694 -3.107 1.00 0.00 C ATOM 1366 CG ASP A 91 3.636 7.964 -3.296 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.331 8.235 -4.298 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.976 7.125 -2.437 1.00 0.00 O ATOM 0 H ASP A 91 0.289 10.200 -3.383 1.00 0.00 H new ATOM 0 HA ASP A 91 2.261 9.064 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.510 9.670 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.698 8.138 -2.404 1.00 0.00 H new ATOM 1373 N THR A 92 0.970 7.099 -5.960 1.00 0.00 N ATOM 1374 CA THR A 92 0.274 5.896 -6.406 1.00 0.00 C ATOM 1375 C THR A 92 0.957 4.645 -5.856 1.00 0.00 C ATOM 1376 O THR A 92 2.173 4.493 -5.968 1.00 0.00 O ATOM 1377 CB THR A 92 0.227 5.838 -7.936 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.377 7.006 -8.464 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.539 4.645 -8.470 1.00 0.00 C ATOM 0 H THR A 92 1.620 7.488 -6.643 1.00 0.00 H new ATOM 0 HA THR A 92 -0.747 5.933 -6.025 1.00 0.00 H new ATOM 0 HB THR A 92 1.267 5.752 -8.252 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.396 6.951 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.532 4.666 -9.560 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.069 3.725 -8.122 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.568 4.684 -8.113 1.00 0.00 H new ATOM 1387 N VAL A 93 0.164 3.752 -5.268 1.00 0.00 N ATOM 1388 CA VAL A 93 0.689 2.512 -4.705 1.00 0.00 C ATOM 1389 C VAL A 93 -0.244 1.340 -5.005 1.00 0.00 C ATOM 1390 O VAL A 93 -1.445 1.399 -4.723 1.00 0.00 O ATOM 1391 CB VAL A 93 0.911 2.629 -3.181 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.392 2.961 -2.466 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.525 1.348 -2.626 1.00 0.00 C ATOM 0 H VAL A 93 -0.845 3.865 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 93 1.654 2.327 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 93 1.610 3.446 -3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.209 3.038 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.779 3.910 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.121 2.173 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.673 1.452 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.856 0.510 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.485 1.166 -3.109 1.00 0.00 H new ATOM 1403 N GLU A 94 0.314 0.281 -5.586 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.463 -0.906 -5.937 1.00 0.00 C ATOM 1405 C GLU A 94 0.165 -2.168 -5.355 1.00 0.00 C ATOM 1406 O GLU A 94 1.382 -2.245 -5.173 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.571 -1.041 -7.457 1.00 0.00 C ATOM 1408 CG GLU A 94 -1.044 0.225 -8.154 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.527 0.349 -9.577 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.405 -0.690 -10.263 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -0.245 1.488 -10.006 1.00 0.00 O ATOM 0 H GLU A 94 1.304 0.220 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.460 -0.788 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.403 -1.323 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.259 -1.853 -7.692 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.134 0.240 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.720 1.092 -7.579 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.679 -3.159 -5.071 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.223 -4.430 -4.514 1.00 0.00 C ATOM 1420 C PHE A 95 -0.601 -5.583 -5.443 1.00 0.00 C ATOM 1421 O PHE A 95 -1.766 -5.977 -5.514 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.824 -4.644 -3.120 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.631 -3.473 -2.196 1.00 0.00 C ATOM 1424 CD1 PHE A 95 0.503 -3.374 -1.408 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -1.584 -2.469 -2.121 1.00 0.00 C ATOM 1426 CE1 PHE A 95 0.685 -2.298 -0.562 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -1.408 -1.390 -1.276 1.00 0.00 C ATOM 1428 CZ PHE A 95 -0.272 -1.305 -0.495 1.00 0.00 C ATOM 0 H PHE A 95 -1.687 -3.105 -5.219 1.00 0.00 H new ATOM 0 HA PHE A 95 0.863 -4.403 -4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.891 -4.845 -3.220 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.373 -5.529 -2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.255 -4.148 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.474 -2.531 -2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.575 -2.233 0.047 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.158 -0.614 -1.226 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.133 -0.463 0.167 1.00 0.00 H new ATOM 1438 N ILE A 96 0.392 -6.113 -6.162 1.00 0.00 N ATOM 1439 CA ILE A 96 0.165 -7.215 -7.096 1.00 0.00 C ATOM 1440 C ILE A 96 0.834 -8.503 -6.611 1.00 0.00 C ATOM 1441 O ILE A 96 2.062 -8.619 -6.620 1.00 0.00 O ATOM 1442 CB ILE A 96 0.690 -6.876 -8.509 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.189 -5.499 -8.956 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.265 -7.945 -9.507 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.981 -4.911 -10.104 1.00 0.00 C ATOM 0 H ILE A 96 1.360 -5.796 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.913 -7.367 -7.144 1.00 0.00 H new ATOM 0 HB ILE A 96 1.779 -6.850 -8.472 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.857 -5.580 -9.251 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.229 -4.814 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.644 -7.690 -10.497 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.670 -8.910 -9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.823 -8.002 -9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.571 -3.936 -10.368 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.023 -4.798 -9.806 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.920 -5.575 -10.966 1.00 0.00 H new ATOM 1457 N SER A 97 0.015 -9.466 -6.191 1.00 0.00 N ATOM 1458 CA SER A 97 0.512 -10.751 -5.696 1.00 0.00 C ATOM 1459 C SER A 97 0.943 -11.666 -6.842 1.00 0.00 C ATOM 1460 O SER A 97 0.407 -11.587 -7.950 1.00 0.00 O ATOM 1461 CB SER A 97 -0.569 -11.447 -4.864 1.00 0.00 C ATOM 1462 OG SER A 97 -1.852 -11.283 -5.451 1.00 0.00 O ATOM 0 H SER A 97 -1.001 -9.381 -6.183 1.00 0.00 H new ATOM 0 HA SER A 97 1.384 -10.551 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.338 -12.509 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.573 -11.039 -3.853 1.00 0.00 H new ATOM 0 HG SER A 97 -2.496 -11.865 -4.997 1.00 0.00 H new ATOM 1468 N THR A 98 1.913 -12.540 -6.562 1.00 0.00 N ATOM 1469 CA THR A 98 2.421 -13.483 -7.559 1.00 0.00 C ATOM 1470 C THR A 98 2.921 -14.768 -6.898 1.00 0.00 C ATOM 1471 O THR A 98 2.377 -15.846 -7.134 1.00 0.00 O ATOM 1472 CB THR A 98 3.545 -12.850 -8.391 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.353 -11.992 -7.598 1.00 0.00 O ATOM 1474 CG2 THR A 98 3.037 -12.047 -9.567 1.00 0.00 C ATOM 0 H THR A 98 2.363 -12.613 -5.650 1.00 0.00 H new ATOM 0 HA THR A 98 1.594 -13.734 -8.223 1.00 0.00 H new ATOM 0 HB THR A 98 4.127 -13.692 -8.767 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.060 -12.037 -6.664 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.882 -11.627 -10.113 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.463 -12.695 -10.229 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.399 -11.239 -9.208 1.00 0.00 H new