USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=17 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 15 CYS SG : rot -100:sc= -2.43 USER MOD Set 1.2: A 97 SER OG : rot 103:sc= -0.512 USER MOD Set 2.1: A 63 THR OG1 : rot -171:sc= 0 USER MOD Set 2.2: A 83 MET CE :methyl -111:sc= -0.977 (180deg=-1.14) USER MOD Set 3.1: A 8 THR OG1 : rot 136:sc= 0.0124 USER MOD Set 3.2: A 73 ASN : amide:sc= -0.157 X(o=-0.12,f=0.027) USER MOD Set 3.3: A 92 THR OG1 : rot 132:sc= 0.0215 USER MOD Set 4.1: A 6 HIS : no HD1:sc= -2 K(o=-2.1,f=-2.7) USER MOD Set 4.2: A 26 GLN : amide:sc= -0.101 X(o=-2.1,f=-2.1) USER MOD Single : A 10 GLN : amide:sc= -5.93! C(o=-5.9!,f=-12!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.756 K(o=0.76,f=-6.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 32:sc= 0.132 USER MOD Single : A 36 ASN : amide:sc= -0.823 K(o=-0.82,f=-8.3!) USER MOD Single : A 38 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.7!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -140:sc= -0.0938 (180deg=-0.394) USER MOD Single : A 46 THR OG1 : rot 101:sc= 0.368 USER MOD Single : A 47 ASN : amide:sc= -0.928 X(o=-0.93,f=-0.55) 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=-0.00891 K(o=-0.0089,f=-1.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00282 USER MOD Single : A 62 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 74 SER OG : rot -59:sc= 0.162 USER MOD Single : A 75 CYS SG : rot 180:sc= -0.0383 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.258 13.737 -2.702 1.00 0.00 N ATOM 78 CA HIS A 6 -4.941 12.445 -2.792 1.00 0.00 C ATOM 79 C HIS A 6 -3.939 11.305 -2.967 1.00 0.00 C ATOM 80 O HIS A 6 -2.844 11.504 -3.493 1.00 0.00 O ATOM 81 CB HIS A 6 -5.942 12.439 -3.956 1.00 0.00 C ATOM 82 CG HIS A 6 -7.355 12.185 -3.529 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.438 12.381 -4.359 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.864 11.751 -2.349 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.549 12.080 -3.710 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.228 11.692 -2.490 1.00 0.00 N ATOM 0 HA HIS A 6 -5.482 12.293 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.894 13.398 -4.471 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.646 11.676 -4.675 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.301 11.499 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.550 12.141 -4.110 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.886 11.396 -1.769 1.00 0.00 H new ATOM 95 N ILE A 7 -4.328 10.109 -2.526 1.00 0.00 N ATOM 96 CA ILE A 7 -3.468 8.930 -2.636 1.00 0.00 C ATOM 97 C ILE A 7 -4.087 7.891 -3.569 1.00 0.00 C ATOM 98 O ILE A 7 -5.306 7.825 -3.712 1.00 0.00 O ATOM 99 CB ILE A 7 -3.210 8.290 -1.253 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.666 9.334 -0.272 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.247 7.113 -1.372 1.00 0.00 C ATOM 102 CD1 ILE A 7 -1.299 9.872 -0.642 1.00 0.00 C ATOM 0 H ILE A 7 -5.232 9.931 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.516 9.263 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.158 7.915 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.369 10.165 -0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.614 8.891 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.080 6.678 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.674 6.359 -2.034 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.298 7.459 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.983 10.605 0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.581 9.052 -0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.348 10.346 -1.622 1.00 0.00 H new ATOM 114 N THR A 8 -3.239 7.081 -4.204 1.00 0.00 N ATOM 115 CA THR A 8 -3.708 6.046 -5.125 1.00 0.00 C ATOM 116 C THR A 8 -3.376 4.650 -4.596 1.00 0.00 C ATOM 117 O THR A 8 -2.238 4.192 -4.705 1.00 0.00 O ATOM 118 CB THR A 8 -3.084 6.243 -6.507 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.259 7.575 -6.958 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.663 5.324 -7.561 1.00 0.00 C ATOM 0 H THR A 8 -2.225 7.122 -4.097 1.00 0.00 H new ATOM 0 HA THR A 8 -4.791 6.133 -5.207 1.00 0.00 H new ATOM 0 HB THR A 8 -2.028 6.007 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.420 7.902 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.177 5.515 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.496 4.287 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.733 5.507 -7.655 1.00 0.00 H new ATOM 128 N VAL A 9 -4.379 3.977 -4.027 1.00 0.00 N ATOM 129 CA VAL A 9 -4.195 2.633 -3.484 1.00 0.00 C ATOM 130 C VAL A 9 -5.116 1.627 -4.174 1.00 0.00 C ATOM 131 O VAL A 9 -6.329 1.634 -3.969 1.00 0.00 O ATOM 132 CB VAL A 9 -4.440 2.603 -1.956 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.867 3.016 -1.616 1.00 0.00 C ATOM 134 CG2 VAL A 9 -4.122 1.226 -1.385 1.00 0.00 C ATOM 0 H VAL A 9 -5.326 4.343 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.160 2.350 -3.676 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.767 3.327 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.007 2.985 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.048 4.029 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.568 2.330 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.301 1.228 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.760 0.480 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.077 0.985 -1.578 1.00 0.00 H new ATOM 144 N GLN A 10 -4.532 0.758 -4.996 1.00 0.00 N ATOM 145 CA GLN A 10 -5.306 -0.249 -5.714 1.00 0.00 C ATOM 146 C GLN A 10 -4.685 -1.639 -5.576 1.00 0.00 C ATOM 147 O GLN A 10 -3.487 -1.774 -5.308 1.00 0.00 O ATOM 148 CB GLN A 10 -5.435 0.130 -7.191 1.00 0.00 C ATOM 149 CG GLN A 10 -4.117 0.506 -7.848 1.00 0.00 C ATOM 150 CD GLN A 10 -3.969 2.000 -8.057 1.00 0.00 C ATOM 151 OE1 GLN A 10 -3.038 2.615 -7.541 1.00 0.00 O ATOM 152 NE2 GLN A 10 -4.887 2.589 -8.816 1.00 0.00 N ATOM 0 H GLN A 10 -3.529 0.732 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.300 -0.282 -5.268 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.874 -0.707 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.127 0.967 -7.282 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.293 0.147 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.039 -0.000 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.642 2.038 -9.224 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.837 3.593 -8.991 1.00 0.00 H new ATOM 161 N PHE A 11 -5.512 -2.669 -5.760 1.00 0.00 N ATOM 162 CA PHE A 11 -5.064 -4.058 -5.657 1.00 0.00 C ATOM 163 C PHE A 11 -5.174 -4.767 -7.007 1.00 0.00 C ATOM 164 O PHE A 11 -6.094 -4.504 -7.782 1.00 0.00 O ATOM 165 CB PHE A 11 -5.897 -4.807 -4.613 1.00 0.00 C ATOM 166 CG PHE A 11 -6.035 -4.076 -3.303 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.929 -3.849 -2.501 1.00 0.00 C ATOM 168 CD2 PHE A 11 -7.271 -3.614 -2.881 1.00 0.00 C ATOM 169 CE1 PHE A 11 -5.053 -3.175 -1.300 1.00 0.00 C ATOM 170 CE2 PHE A 11 -7.403 -2.939 -1.682 1.00 0.00 C ATOM 171 CZ PHE A 11 -6.292 -2.719 -0.891 1.00 0.00 C ATOM 0 H PHE A 11 -6.502 -2.566 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.018 -4.054 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.891 -4.993 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.441 -5.780 -4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.959 -4.202 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.142 -3.783 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.183 -3.005 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.372 -2.584 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.391 -2.191 0.046 1.00 0.00 H new ATOM 181 N ALA A 12 -4.227 -5.669 -7.281 1.00 0.00 N ATOM 182 CA ALA A 12 -4.221 -6.415 -8.539 1.00 0.00 C ATOM 183 C ALA A 12 -3.618 -7.808 -8.366 1.00 0.00 C ATOM 184 O ALA A 12 -2.770 -8.029 -7.497 1.00 0.00 O ATOM 185 CB ALA A 12 -3.462 -5.643 -9.608 1.00 0.00 C ATOM 0 H ALA A 12 -3.459 -5.898 -6.651 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.257 -6.538 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.466 -6.211 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.942 -4.678 -9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.433 -5.487 -9.283 1.00 0.00 H new ATOM 191 N GLY A 13 -4.062 -8.745 -9.208 1.00 0.00 N ATOM 192 CA GLY A 13 -3.561 -10.109 -9.150 1.00 0.00 C ATOM 193 C GLY A 13 -4.186 -10.907 -8.025 1.00 0.00 C ATOM 194 O GLY A 13 -5.190 -11.590 -8.227 1.00 0.00 O ATOM 0 H GLY A 13 -4.762 -8.580 -9.931 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.760 -10.607 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.479 -10.090 -9.021 1.00 0.00 H new ATOM 198 N GLY A 14 -3.594 -10.814 -6.837 1.00 0.00 N ATOM 199 CA GLY A 14 -4.112 -11.529 -5.685 1.00 0.00 C ATOM 200 C GLY A 14 -3.978 -10.733 -4.395 1.00 0.00 C ATOM 201 O GLY A 14 -3.872 -11.314 -3.314 1.00 0.00 O ATOM 0 H GLY A 14 -2.762 -10.254 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.162 -11.769 -5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.582 -12.476 -5.581 1.00 0.00 H new ATOM 205 N CYS A 15 -3.979 -9.402 -4.509 1.00 0.00 N ATOM 206 CA CYS A 15 -3.850 -8.527 -3.344 1.00 0.00 C ATOM 207 C CYS A 15 -5.154 -7.779 -3.044 1.00 0.00 C ATOM 208 O CYS A 15 -5.195 -6.927 -2.155 1.00 0.00 O ATOM 209 CB CYS A 15 -2.712 -7.526 -3.560 1.00 0.00 C ATOM 210 SG CYS A 15 -1.368 -7.659 -2.357 1.00 0.00 S ATOM 0 H CYS A 15 -4.068 -8.908 -5.397 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.623 -9.157 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.304 -7.668 -4.561 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.120 -6.516 -3.522 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.504 -6.737 -1.451 1.00 0.00 H new ATOM 216 N GLU A 16 -6.221 -8.100 -3.780 1.00 0.00 N ATOM 217 CA GLU A 16 -7.518 -7.456 -3.576 1.00 0.00 C ATOM 218 C GLU A 16 -8.387 -8.264 -2.608 1.00 0.00 C ATOM 219 O GLU A 16 -9.226 -7.703 -1.904 1.00 0.00 O ATOM 220 CB GLU A 16 -8.245 -7.272 -4.914 1.00 0.00 C ATOM 221 CG GLU A 16 -8.601 -8.575 -5.621 1.00 0.00 C ATOM 222 CD GLU A 16 -7.490 -9.075 -6.529 1.00 0.00 C ATOM 223 OE1 GLU A 16 -6.936 -8.264 -7.301 1.00 0.00 O ATOM 224 OE2 GLU A 16 -7.172 -10.281 -6.465 1.00 0.00 O ATOM 0 H GLU A 16 -6.211 -8.801 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.339 -6.475 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.160 -6.705 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.618 -6.673 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.826 -9.338 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.507 -8.428 -6.210 1.00 0.00 H new ATOM 231 N LEU A 17 -8.178 -9.583 -2.580 1.00 0.00 N ATOM 232 CA LEU A 17 -8.943 -10.469 -1.699 1.00 0.00 C ATOM 233 C LEU A 17 -8.636 -10.214 -0.217 1.00 0.00 C ATOM 234 O LEU A 17 -9.388 -10.652 0.654 1.00 0.00 O ATOM 235 CB LEU A 17 -8.657 -11.936 -2.041 1.00 0.00 C ATOM 236 CG LEU A 17 -9.523 -12.525 -3.159 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.934 -12.199 -4.524 1.00 0.00 C ATOM 238 CD2 LEU A 17 -9.668 -14.031 -2.979 1.00 0.00 C ATOM 0 H LEU A 17 -7.486 -10.061 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.999 -10.253 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.609 -12.028 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.795 -12.536 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.514 -12.074 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.564 -12.627 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.884 -11.117 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.931 -12.619 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.286 -14.435 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.683 -14.498 -3.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.139 -14.239 -2.018 1.00 0.00 H new ATOM 250 N LEU A 18 -7.539 -9.502 0.070 1.00 0.00 N ATOM 251 CA LEU A 18 -7.164 -9.201 1.456 1.00 0.00 C ATOM 252 C LEU A 18 -7.908 -7.975 2.006 1.00 0.00 C ATOM 253 O LEU A 18 -7.556 -7.456 3.068 1.00 0.00 O ATOM 254 CB LEU A 18 -5.649 -8.984 1.564 1.00 0.00 C ATOM 255 CG LEU A 18 -5.084 -7.815 0.747 1.00 0.00 C ATOM 256 CD1 LEU A 18 -4.985 -6.555 1.599 1.00 0.00 C ATOM 257 CD2 LEU A 18 -3.720 -8.181 0.177 1.00 0.00 C ATOM 0 H LEU A 18 -6.901 -9.127 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.454 -10.061 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.397 -8.825 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.146 -9.899 1.250 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.766 -7.613 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.582 -5.740 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.976 -6.282 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.326 -6.740 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.330 -7.343 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.034 -8.410 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.818 -9.053 -0.470 1.00 0.00 H new ATOM 269 N PHE A 19 -8.944 -7.524 1.296 1.00 0.00 N ATOM 270 CA PHE A 19 -9.729 -6.375 1.729 1.00 0.00 C ATOM 271 C PHE A 19 -11.195 -6.599 1.389 1.00 0.00 C ATOM 272 O PHE A 19 -12.029 -6.748 2.279 1.00 0.00 O ATOM 273 CB PHE A 19 -9.206 -5.095 1.068 1.00 0.00 C ATOM 274 CG PHE A 19 -9.883 -3.838 1.547 1.00 0.00 C ATOM 275 CD1 PHE A 19 -9.481 -3.225 2.724 1.00 0.00 C ATOM 276 CD2 PHE A 19 -10.918 -3.272 0.820 1.00 0.00 C ATOM 277 CE1 PHE A 19 -10.098 -2.071 3.164 1.00 0.00 C ATOM 278 CE2 PHE A 19 -11.539 -2.117 1.256 1.00 0.00 C ATOM 279 CZ PHE A 19 -11.128 -1.517 2.431 1.00 0.00 C ATOM 0 H PHE A 19 -9.256 -7.940 0.418 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.634 -6.261 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.135 -5.013 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.335 -5.177 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.677 -3.655 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.243 -3.739 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.775 -1.602 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.344 -1.684 0.680 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.612 -0.615 2.776 1.00 0.00 H new ATOM 289 N ALA A 20 -11.497 -6.636 0.095 1.00 0.00 N ATOM 290 CA ALA A 20 -12.861 -6.859 -0.371 1.00 0.00 C ATOM 291 C ALA A 20 -12.918 -6.959 -1.897 1.00 0.00 C ATOM 292 O ALA A 20 -13.872 -6.490 -2.522 1.00 0.00 O ATOM 293 CB ALA A 20 -13.775 -5.745 0.127 1.00 0.00 C ATOM 0 H ALA A 20 -10.813 -6.514 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.207 -7.809 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.791 -5.922 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.768 -5.729 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.420 -4.787 -0.252 1.00 0.00 H new ATOM 299 N LYS A 21 -11.887 -7.568 -2.492 1.00 0.00 N ATOM 300 CA LYS A 21 -11.809 -7.718 -3.945 1.00 0.00 C ATOM 301 C LYS A 21 -12.068 -6.377 -4.643 1.00 0.00 C ATOM 302 O LYS A 21 -12.663 -6.330 -5.722 1.00 0.00 O ATOM 303 CB LYS A 21 -12.805 -8.778 -4.425 1.00 0.00 C ATOM 304 CG LYS A 21 -12.655 -10.116 -3.712 1.00 0.00 C ATOM 305 CD LYS A 21 -13.683 -10.275 -2.602 1.00 0.00 C ATOM 306 CE LYS A 21 -14.226 -11.694 -2.542 1.00 0.00 C ATOM 307 NZ LYS A 21 -15.403 -11.805 -1.633 1.00 0.00 N ATOM 0 H LYS A 21 -11.095 -7.965 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.803 -8.047 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.819 -8.407 -4.276 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.675 -8.929 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.766 -10.927 -4.431 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.651 -10.196 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.229 -10.018 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.504 -9.577 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.510 -12.016 -3.544 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.440 -12.368 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.741 -12.788 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.126 -11.523 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.163 -11.181 -1.972 1.00 0.00 H new ATOM 321 N GLN A 22 -11.613 -5.291 -4.011 1.00 0.00 N ATOM 322 CA GLN A 22 -11.790 -3.951 -4.557 1.00 0.00 C ATOM 323 C GLN A 22 -10.810 -3.700 -5.699 1.00 0.00 C ATOM 324 O GLN A 22 -10.009 -4.570 -6.046 1.00 0.00 O ATOM 325 CB GLN A 22 -11.592 -2.901 -3.456 1.00 0.00 C ATOM 326 CG GLN A 22 -12.886 -2.242 -3.004 1.00 0.00 C ATOM 327 CD GLN A 22 -13.274 -1.048 -3.864 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.633 -0.760 -4.876 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.327 -0.344 -3.462 1.00 0.00 N ATOM 0 H GLN A 22 -11.119 -5.319 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.805 -3.871 -4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.115 -3.373 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.909 -2.132 -3.817 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.690 -2.977 -3.028 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.781 -1.919 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.830 -0.616 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.632 0.469 -3.998 1.00 0.00 H new ATOM 338 N THR A 23 -10.881 -2.507 -6.284 1.00 0.00 N ATOM 339 CA THR A 23 -9.998 -2.151 -7.387 1.00 0.00 C ATOM 340 C THR A 23 -9.013 -1.058 -6.970 1.00 0.00 C ATOM 341 O THR A 23 -7.837 -1.335 -6.755 1.00 0.00 O ATOM 342 CB THR A 23 -10.814 -1.711 -8.609 1.00 0.00 C ATOM 343 OG1 THR A 23 -11.661 -0.621 -8.285 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.689 -2.811 -9.175 1.00 0.00 C ATOM 0 H THR A 23 -11.538 -1.775 -6.013 1.00 0.00 H new ATOM 0 HA THR A 23 -9.421 -3.035 -7.659 1.00 0.00 H new ATOM 0 HB THR A 23 -10.074 -1.430 -9.359 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.171 -0.356 -9.079 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.238 -2.432 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.065 -3.650 -9.483 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.394 -3.143 -8.413 1.00 0.00 H new ATOM 352 N SER A 24 -9.498 0.179 -6.854 1.00 0.00 N ATOM 353 CA SER A 24 -8.651 1.303 -6.461 1.00 0.00 C ATOM 354 C SER A 24 -9.346 2.181 -5.423 1.00 0.00 C ATOM 355 O SER A 24 -10.573 2.187 -5.323 1.00 0.00 O ATOM 356 CB SER A 24 -8.275 2.141 -7.684 1.00 0.00 C ATOM 357 OG SER A 24 -9.411 2.800 -8.223 1.00 0.00 O ATOM 0 H SER A 24 -10.472 0.427 -7.027 1.00 0.00 H new ATOM 0 HA SER A 24 -7.744 0.896 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.522 2.878 -7.406 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.828 1.500 -8.444 1.00 0.00 H new ATOM 0 HG SER A 24 -9.143 3.330 -9.002 1.00 0.00 H new ATOM 363 N LEU A 25 -8.547 2.920 -4.651 1.00 0.00 N ATOM 364 CA LEU A 25 -9.085 3.803 -3.616 1.00 0.00 C ATOM 365 C LEU A 25 -8.183 5.018 -3.384 1.00 0.00 C ATOM 366 O LEU A 25 -7.036 5.049 -3.837 1.00 0.00 O ATOM 367 CB LEU A 25 -9.260 3.027 -2.307 1.00 0.00 C ATOM 368 CG LEU A 25 -10.574 3.282 -1.564 1.00 0.00 C ATOM 369 CD1 LEU A 25 -11.763 2.838 -2.405 1.00 0.00 C ATOM 370 CD2 LEU A 25 -10.570 2.564 -0.220 1.00 0.00 C ATOM 0 H LEU A 25 -7.530 2.924 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.053 4.167 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.185 1.961 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.432 3.276 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.666 4.353 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.687 3.028 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.774 3.395 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.680 1.772 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.510 2.754 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.455 1.492 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.742 2.931 0.386 1.00 0.00 H new ATOM 382 N GLN A 26 -8.713 6.014 -2.672 1.00 0.00 N ATOM 383 CA GLN A 26 -7.964 7.228 -2.369 1.00 0.00 C ATOM 384 C GLN A 26 -7.961 7.504 -0.867 1.00 0.00 C ATOM 385 O GLN A 26 -8.929 7.199 -0.166 1.00 0.00 O ATOM 386 CB GLN A 26 -8.553 8.424 -3.121 1.00 0.00 C ATOM 387 CG GLN A 26 -7.934 8.649 -4.492 1.00 0.00 C ATOM 388 CD GLN A 26 -8.959 9.042 -5.538 1.00 0.00 C ATOM 389 OE1 GLN A 26 -8.885 10.124 -6.117 1.00 0.00 O ATOM 390 NE2 GLN A 26 -9.924 8.161 -5.785 1.00 0.00 N ATOM 0 H GLN A 26 -9.661 6.001 -2.295 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.935 7.079 -2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.627 8.276 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.418 9.323 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.176 9.429 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.426 7.739 -4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.947 7.275 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.641 8.372 -6.479 1.00 0.00 H new ATOM 399 N LEU A 27 -6.861 8.075 -0.379 1.00 0.00 N ATOM 400 CA LEU A 27 -6.716 8.387 1.041 1.00 0.00 C ATOM 401 C LEU A 27 -6.292 9.841 1.244 1.00 0.00 C ATOM 402 O LEU A 27 -5.497 10.379 0.471 1.00 0.00 O ATOM 403 CB LEU A 27 -5.692 7.449 1.688 1.00 0.00 C ATOM 404 CG LEU A 27 -5.817 5.971 1.296 1.00 0.00 C ATOM 405 CD1 LEU A 27 -4.462 5.283 1.366 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.827 5.264 2.187 1.00 0.00 C ATOM 0 H LEU A 27 -6.055 8.332 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.685 8.243 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.692 7.794 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.784 7.530 2.771 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.174 5.917 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.571 4.236 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.770 5.773 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.073 5.347 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.901 4.217 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.503 5.327 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.802 5.741 2.081 1.00 0.00 H new ATOM 504 N THR A 35 6.110 11.105 6.540 1.00 0.00 N ATOM 505 CA THR A 35 5.715 9.698 6.564 1.00 0.00 C ATOM 506 C THR A 35 6.270 8.951 5.350 1.00 0.00 C ATOM 507 O THR A 35 6.255 9.467 4.230 1.00 0.00 O ATOM 508 CB THR A 35 4.187 9.576 6.600 1.00 0.00 C ATOM 509 OG1 THR A 35 3.647 10.319 7.681 1.00 0.00 O ATOM 510 CG2 THR A 35 3.700 8.148 6.738 1.00 0.00 C ATOM 0 HA THR A 35 6.131 9.246 7.464 1.00 0.00 H new ATOM 0 HB THR A 35 3.847 9.968 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.208 11.105 7.850 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.610 8.135 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.055 7.559 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.084 7.721 7.664 1.00 0.00 H new ATOM 518 N ASN A 36 6.752 7.730 5.583 1.00 0.00 N ATOM 519 CA ASN A 36 7.310 6.900 4.516 1.00 0.00 C ATOM 520 C ASN A 36 6.411 5.695 4.236 1.00 0.00 C ATOM 521 O ASN A 36 5.326 5.576 4.812 1.00 0.00 O ATOM 522 CB ASN A 36 8.729 6.441 4.885 1.00 0.00 C ATOM 523 CG ASN A 36 8.805 5.780 6.253 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.965 4.950 6.604 1.00 0.00 O ATOM 525 ND2 ASN A 36 9.817 6.146 7.036 1.00 0.00 N ATOM 0 H ASN A 36 6.767 7.293 6.505 1.00 0.00 H new ATOM 0 HA ASN A 36 7.363 7.500 3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.086 5.741 4.129 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.399 7.300 4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.918 5.735 7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.492 6.837 6.708 1.00 0.00 H new ATOM 532 N LEU A 37 6.860 4.803 3.349 1.00 0.00 N ATOM 533 CA LEU A 37 6.085 3.612 3.001 1.00 0.00 C ATOM 534 C LEU A 37 5.806 2.758 4.235 1.00 0.00 C ATOM 535 O LEU A 37 4.687 2.279 4.418 1.00 0.00 O ATOM 536 CB LEU A 37 6.813 2.781 1.940 1.00 0.00 C ATOM 537 CG LEU A 37 5.925 1.790 1.180 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.080 1.974 -0.323 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.249 0.357 1.584 1.00 0.00 C ATOM 0 H LEU A 37 7.752 4.883 2.861 1.00 0.00 H new ATOM 0 HA LEU A 37 5.132 3.946 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.275 3.458 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.620 2.229 2.422 1.00 0.00 H new ATOM 0 HG LEU A 37 4.886 1.991 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.441 1.261 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.791 2.989 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.119 1.804 -0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.607 -0.330 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.293 0.142 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 37 6.079 0.233 2.654 1.00 0.00 H new ATOM 551 N ASN A 38 6.821 2.588 5.086 1.00 0.00 N ATOM 552 CA ASN A 38 6.668 1.810 6.315 1.00 0.00 C ATOM 553 C ASN A 38 5.516 2.371 7.147 1.00 0.00 C ATOM 554 O ASN A 38 4.752 1.621 7.760 1.00 0.00 O ATOM 555 CB ASN A 38 7.963 1.836 7.132 1.00 0.00 C ATOM 556 CG ASN A 38 7.870 1.001 8.394 1.00 0.00 C ATOM 557 OD1 ASN A 38 8.224 -0.175 8.397 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.393 1.608 9.476 1.00 0.00 N ATOM 0 H ASN A 38 7.753 2.977 4.946 1.00 0.00 H new ATOM 0 HA ASN A 38 6.447 0.777 6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.784 1.469 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.200 2.866 7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.310 1.095 10.354 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.110 2.587 9.429 1.00 0.00 H new ATOM 565 N GLY A 39 5.392 3.697 7.144 1.00 0.00 N ATOM 566 CA GLY A 39 4.328 4.350 7.874 1.00 0.00 C ATOM 567 C GLY A 39 3.001 4.265 7.148 1.00 0.00 C ATOM 568 O GLY A 39 1.951 4.189 7.781 1.00 0.00 O ATOM 0 H GLY A 39 6.016 4.330 6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.231 3.893 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.587 5.397 8.032 1.00 0.00 H new ATOM 572 N LEU A 40 3.046 4.263 5.812 1.00 0.00 N ATOM 573 CA LEU A 40 1.832 4.174 5.007 1.00 0.00 C ATOM 574 C LEU A 40 1.116 2.850 5.260 1.00 0.00 C ATOM 575 O LEU A 40 -0.089 2.827 5.510 1.00 0.00 O ATOM 576 CB LEU A 40 2.158 4.328 3.515 1.00 0.00 C ATOM 577 CG LEU A 40 0.944 4.336 2.579 1.00 0.00 C ATOM 578 CD1 LEU A 40 0.050 5.531 2.872 1.00 0.00 C ATOM 579 CD2 LEU A 40 1.394 4.341 1.123 1.00 0.00 C ATOM 0 H LEU A 40 3.908 4.322 5.270 1.00 0.00 H new ATOM 0 HA LEU A 40 1.169 4.988 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.711 5.257 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.820 3.515 3.218 1.00 0.00 H new ATOM 0 HG LEU A 40 0.366 3.429 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.806 5.519 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.300 5.480 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.614 6.452 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.520 4.347 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.995 5.230 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.989 3.450 0.923 1.00 0.00 H new ATOM 591 N VAL A 41 1.867 1.749 5.202 1.00 0.00 N ATOM 592 CA VAL A 41 1.296 0.422 5.435 1.00 0.00 C ATOM 593 C VAL A 41 0.739 0.312 6.849 1.00 0.00 C ATOM 594 O VAL A 41 -0.444 0.027 7.028 1.00 0.00 O ATOM 595 CB VAL A 41 2.308 -0.727 5.200 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.244 -1.194 3.755 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.727 -0.320 5.575 1.00 0.00 C ATOM 0 H VAL A 41 2.866 1.749 4.997 1.00 0.00 H new ATOM 0 HA VAL A 41 0.494 0.312 4.705 1.00 0.00 H new ATOM 0 HB VAL A 41 2.029 -1.555 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.960 -2.002 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.239 -1.553 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.487 -0.363 3.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.405 -1.155 5.395 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.033 0.533 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.760 -0.047 6.630 1.00 0.00 H new ATOM 607 N GLN A 42 1.586 0.555 7.851 1.00 0.00 N ATOM 608 CA GLN A 42 1.155 0.490 9.249 1.00 0.00 C ATOM 609 C GLN A 42 -0.037 1.419 9.502 1.00 0.00 C ATOM 610 O GLN A 42 -0.853 1.162 10.389 1.00 0.00 O ATOM 611 CB GLN A 42 2.311 0.853 10.182 1.00 0.00 C ATOM 612 CG GLN A 42 2.236 0.166 11.538 1.00 0.00 C ATOM 613 CD GLN A 42 3.553 -0.469 11.946 1.00 0.00 C ATOM 614 OE1 GLN A 42 3.715 -1.687 11.875 1.00 0.00 O ATOM 615 NE2 GLN A 42 4.503 0.355 12.377 1.00 0.00 N ATOM 0 H GLN A 42 2.568 0.797 7.722 1.00 0.00 H new ATOM 0 HA GLN A 42 0.841 -0.533 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.253 0.588 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.322 1.933 10.331 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.939 0.893 12.293 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.461 -0.600 11.510 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.327 1.359 12.420 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.408 -0.016 12.665 1.00 0.00 H new ATOM 624 N LEU A 43 -0.129 2.495 8.718 1.00 0.00 N ATOM 625 CA LEU A 43 -1.216 3.459 8.853 1.00 0.00 C ATOM 626 C LEU A 43 -2.466 3.023 8.076 1.00 0.00 C ATOM 627 O LEU A 43 -3.563 3.477 8.378 1.00 0.00 O ATOM 628 CB LEU A 43 -0.757 4.841 8.375 1.00 0.00 C ATOM 629 CG LEU A 43 -1.765 5.975 8.584 1.00 0.00 C ATOM 630 CD1 LEU A 43 -1.055 7.246 9.022 1.00 0.00 C ATOM 631 CD2 LEU A 43 -2.566 6.219 7.312 1.00 0.00 C ATOM 0 H LEU A 43 0.540 2.719 7.981 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.483 3.509 9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.167 5.098 8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.520 4.779 7.313 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.457 5.680 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.787 8.041 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.528 7.064 9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.340 7.546 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.277 7.028 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.889 6.492 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.106 5.311 7.042 1.00 0.00 H new ATOM 643 N LEU A 44 -2.302 2.154 7.073 1.00 0.00 N ATOM 644 CA LEU A 44 -3.439 1.690 6.271 1.00 0.00 C ATOM 645 C LEU A 44 -4.016 0.377 6.810 1.00 0.00 C ATOM 646 O LEU A 44 -5.237 0.206 6.846 1.00 0.00 O ATOM 647 CB LEU A 44 -3.044 1.543 4.791 1.00 0.00 C ATOM 648 CG LEU A 44 -2.365 0.222 4.399 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.404 -0.854 4.107 1.00 0.00 C ATOM 650 CD2 LEU A 44 -1.461 0.430 3.191 1.00 0.00 C ATOM 0 H LEU A 44 -1.402 1.761 6.799 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.219 2.447 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.941 1.661 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.374 2.363 4.532 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.755 -0.112 5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.901 -1.781 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.013 -1.022 4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.042 -0.530 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.987 -0.515 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.055 0.788 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.694 1.166 3.433 1.00 0.00 H new ATOM 662 N LYS A 45 -3.149 -0.551 7.220 1.00 0.00 N ATOM 663 CA LYS A 45 -3.612 -1.838 7.743 1.00 0.00 C ATOM 664 C LYS A 45 -4.264 -1.663 9.112 1.00 0.00 C ATOM 665 O LYS A 45 -5.425 -2.019 9.298 1.00 0.00 O ATOM 666 CB LYS A 45 -2.466 -2.858 7.815 1.00 0.00 C ATOM 667 CG LYS A 45 -1.237 -2.384 8.576 1.00 0.00 C ATOM 668 CD LYS A 45 0.023 -2.602 7.764 1.00 0.00 C ATOM 669 CE LYS A 45 0.335 -4.081 7.591 1.00 0.00 C ATOM 670 NZ LYS A 45 0.411 -4.798 8.895 1.00 0.00 N ATOM 0 H LYS A 45 -2.135 -0.438 7.201 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.360 -2.226 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.838 -3.769 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.168 -3.121 6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.340 -1.326 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.161 -2.920 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.091 -2.138 6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.862 -2.109 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.433 -4.542 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.282 -4.191 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.196 -5.480 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.572 -4.112 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.482 -5.304 9.066 1.00 0.00 H new ATOM 684 N THR A 46 -3.526 -1.087 10.061 1.00 0.00 N ATOM 685 CA THR A 46 -4.055 -0.848 11.399 1.00 0.00 C ATOM 686 C THR A 46 -5.274 0.079 11.345 1.00 0.00 C ATOM 687 O THR A 46 -6.083 0.104 12.273 1.00 0.00 O ATOM 688 CB THR A 46 -2.974 -0.251 12.306 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.762 -0.976 12.180 1.00 0.00 O ATOM 690 CG2 THR A 46 -3.355 -0.244 13.772 1.00 0.00 C ATOM 0 H THR A 46 -2.563 -0.779 9.926 1.00 0.00 H new ATOM 0 HA THR A 46 -4.369 -1.805 11.815 1.00 0.00 H new ATOM 0 HB THR A 46 -2.856 0.781 11.976 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.148 -0.487 11.593 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.545 0.192 14.356 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.260 0.347 13.910 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.534 -1.266 14.106 1.00 0.00 H new ATOM 698 N ASN A 47 -5.402 0.831 10.247 1.00 0.00 N ATOM 699 CA ASN A 47 -6.532 1.747 10.076 1.00 0.00 C ATOM 700 C ASN A 47 -7.843 0.975 9.922 1.00 0.00 C ATOM 701 O ASN A 47 -8.854 1.337 10.525 1.00 0.00 O ATOM 702 CB ASN A 47 -6.312 2.654 8.861 1.00 0.00 C ATOM 703 CG ASN A 47 -6.226 4.124 9.240 1.00 0.00 C ATOM 704 OD1 ASN A 47 -6.905 4.966 8.654 1.00 0.00 O ATOM 705 ND2 ASN A 47 -5.382 4.441 10.217 1.00 0.00 N ATOM 0 H ASN A 47 -4.742 0.823 9.469 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.599 2.367 10.970 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -5.394 2.359 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.128 2.512 8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.279 5.414 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -4.837 3.712 10.677 1.00 0.00 H new ATOM 712 N TYR A 48 -7.824 -0.087 9.111 1.00 0.00 N ATOM 713 CA TYR A 48 -9.020 -0.896 8.887 1.00 0.00 C ATOM 714 C TYR A 48 -8.675 -2.373 8.675 1.00 0.00 C ATOM 715 O TYR A 48 -9.088 -3.223 9.463 1.00 0.00 O ATOM 716 CB TYR A 48 -9.804 -0.363 7.683 1.00 0.00 C ATOM 717 CG TYR A 48 -11.246 -0.825 7.641 1.00 0.00 C ATOM 718 CD1 TYR A 48 -12.187 -0.310 8.524 1.00 0.00 C ATOM 719 CD2 TYR A 48 -11.666 -1.774 6.716 1.00 0.00 C ATOM 720 CE1 TYR A 48 -13.504 -0.727 8.488 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.983 -2.193 6.673 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.897 -1.667 7.560 1.00 0.00 C ATOM 723 OH TYR A 48 -15.206 -2.084 7.517 1.00 0.00 O ATOM 0 H TYR A 48 -6.998 -0.403 8.603 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.638 -0.823 9.782 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.781 0.727 7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.304 -0.678 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.884 0.429 9.251 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.953 -2.190 6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.222 -0.318 9.184 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.294 -2.930 5.947 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.315 -2.748 6.805 1.00 0.00 H new ATOM 733 N VAL A 49 -7.926 -2.662 7.601 1.00 0.00 N ATOM 734 CA VAL A 49 -7.517 -4.029 7.254 1.00 0.00 C ATOM 735 C VAL A 49 -8.665 -5.033 7.422 1.00 0.00 C ATOM 736 O VAL A 49 -8.812 -5.675 8.466 1.00 0.00 O ATOM 737 CB VAL A 49 -6.268 -4.496 8.056 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.539 -4.548 9.556 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.778 -5.845 7.549 1.00 0.00 C ATOM 0 H VAL A 49 -7.587 -1.954 6.949 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.243 -4.000 6.199 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.483 -3.757 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.640 -4.879 10.077 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.819 -3.556 9.910 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.352 -5.247 9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.904 -6.154 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.569 -6.586 7.665 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.510 -5.762 6.496 1.00 0.00 H new ATOM 749 N LYS A 50 -9.479 -5.163 6.377 1.00 0.00 N ATOM 750 CA LYS A 50 -10.612 -6.084 6.395 1.00 0.00 C ATOM 751 C LYS A 50 -10.157 -7.513 6.669 1.00 0.00 C ATOM 752 O LYS A 50 -10.727 -8.198 7.520 1.00 0.00 O ATOM 753 CB LYS A 50 -11.376 -6.021 5.072 1.00 0.00 C ATOM 754 CG LYS A 50 -12.656 -5.217 5.170 1.00 0.00 C ATOM 755 CD LYS A 50 -13.867 -6.018 4.718 1.00 0.00 C ATOM 756 CE LYS A 50 -14.423 -6.867 5.850 1.00 0.00 C ATOM 757 NZ LYS A 50 -15.467 -7.816 5.373 1.00 0.00 N ATOM 0 H LYS A 50 -9.375 -4.642 5.507 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.277 -5.777 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.734 -5.582 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.613 -7.034 4.746 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.801 -4.890 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.567 -4.318 4.560 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.640 -5.340 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.589 -6.660 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.612 -7.425 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.846 -6.218 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.820 -8.376 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.253 -7.283 4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.058 -8.453 4.660 1.00 0.00 H new ATOM 771 N GLU A 51 -9.129 -7.961 5.950 1.00 0.00 N ATOM 772 CA GLU A 51 -8.607 -9.307 6.133 1.00 0.00 C ATOM 773 C GLU A 51 -7.476 -9.310 7.169 1.00 0.00 C ATOM 774 O GLU A 51 -7.415 -8.426 8.026 1.00 0.00 O ATOM 775 CB GLU A 51 -8.127 -9.876 4.793 1.00 0.00 C ATOM 776 CG GLU A 51 -8.439 -11.355 4.605 1.00 0.00 C ATOM 777 CD GLU A 51 -9.855 -11.602 4.118 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.804 -11.117 4.768 1.00 0.00 O ATOM 779 OE2 GLU A 51 -10.015 -12.285 3.088 1.00 0.00 O ATOM 0 H GLU A 51 -8.645 -7.412 5.239 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.407 -9.945 6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.589 -9.311 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.050 -9.728 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.735 -11.782 3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.289 -11.876 5.551 1.00 0.00 H new ATOM 786 N ARG A 52 -6.593 -10.307 7.102 1.00 0.00 N ATOM 787 CA ARG A 52 -5.483 -10.410 8.048 1.00 0.00 C ATOM 788 C ARG A 52 -4.481 -9.267 7.867 1.00 0.00 C ATOM 789 O ARG A 52 -4.141 -8.900 6.742 1.00 0.00 O ATOM 790 CB ARG A 52 -4.769 -11.759 7.898 1.00 0.00 C ATOM 791 CG ARG A 52 -5.184 -12.788 8.939 1.00 0.00 C ATOM 792 CD ARG A 52 -6.490 -13.471 8.561 1.00 0.00 C ATOM 793 NE ARG A 52 -7.320 -13.748 9.732 1.00 0.00 N ATOM 794 CZ ARG A 52 -8.147 -12.858 10.293 1.00 0.00 C ATOM 795 NH1 ARG A 52 -8.260 -11.630 9.787 1.00 0.00 N ATOM 796 NH2 ARG A 52 -8.857 -13.193 11.363 1.00 0.00 N ATOM 0 H ARG A 52 -6.625 -11.051 6.405 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.903 -10.337 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.971 -12.159 6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.693 -11.600 7.965 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.399 -13.536 9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.294 -12.302 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.042 -12.838 7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.274 -14.404 8.040 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.265 -14.678 10.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.714 -11.364 8.967 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.892 -10.956 10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.773 -14.129 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.487 -12.514 11.790 1.00 0.00 H new ATOM 810 N PRO A 53 -3.987 -8.691 8.980 1.00 0.00 N ATOM 811 CA PRO A 53 -3.016 -7.593 8.936 1.00 0.00 C ATOM 812 C PRO A 53 -1.597 -8.079 8.633 1.00 0.00 C ATOM 813 O PRO A 53 -0.802 -7.352 8.035 1.00 0.00 O ATOM 814 CB PRO A 53 -3.087 -7.007 10.342 1.00 0.00 C ATOM 815 CG PRO A 53 -3.478 -8.153 11.212 1.00 0.00 C ATOM 816 CD PRO A 53 -4.334 -9.064 10.368 1.00 0.00 C ATOM 0 HA PRO A 53 -3.245 -6.878 8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.127 -6.589 10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.818 -6.200 10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.597 -8.679 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.028 -7.805 12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.117 -10.114 10.566 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.395 -8.915 10.569 1.00 0.00 H new ATOM 824 N ASP A 54 -1.290 -9.311 9.048 1.00 0.00 N ATOM 825 CA ASP A 54 0.029 -9.890 8.820 1.00 0.00 C ATOM 826 C ASP A 54 0.071 -10.739 7.542 1.00 0.00 C ATOM 827 O ASP A 54 1.043 -11.458 7.306 1.00 0.00 O ATOM 828 CB ASP A 54 0.449 -10.748 10.018 1.00 0.00 C ATOM 829 CG ASP A 54 1.929 -10.627 10.340 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.730 -10.382 9.411 1.00 0.00 O ATOM 831 OD2 ASP A 54 2.291 -10.779 11.522 1.00 0.00 O ATOM 0 H ASP A 54 -1.939 -9.923 9.543 1.00 0.00 H new ATOM 0 HA ASP A 54 0.727 -9.061 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.133 -10.454 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.211 -11.792 9.813 1.00 0.00 H new ATOM 836 N LEU A 55 -0.978 -10.663 6.719 1.00 0.00 N ATOM 837 CA LEU A 55 -1.022 -11.438 5.482 1.00 0.00 C ATOM 838 C LEU A 55 -0.161 -10.802 4.390 1.00 0.00 C ATOM 839 O LEU A 55 0.315 -11.493 3.488 1.00 0.00 O ATOM 840 CB LEU A 55 -2.465 -11.609 4.994 1.00 0.00 C ATOM 841 CG LEU A 55 -3.132 -10.353 4.419 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.689 -10.110 2.985 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.643 -10.485 4.487 1.00 0.00 C ATOM 0 H LEU A 55 -1.798 -10.079 6.886 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.611 -12.424 5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.480 -12.387 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.069 -11.969 5.827 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.823 -9.497 5.020 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.176 -9.214 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.608 -9.976 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.965 -10.966 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.105 -9.588 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.959 -11.353 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.951 -10.609 5.525 1.00 0.00 H new ATOM 855 N LEU A 56 0.038 -9.485 4.477 1.00 0.00 N ATOM 856 CA LEU A 56 0.845 -8.773 3.489 1.00 0.00 C ATOM 857 C LEU A 56 2.271 -8.571 3.979 1.00 0.00 C ATOM 858 O LEU A 56 3.219 -8.882 3.267 1.00 0.00 O ATOM 859 CB LEU A 56 0.239 -7.412 3.127 1.00 0.00 C ATOM 860 CG LEU A 56 -0.363 -6.606 4.282 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.342 -5.121 3.958 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.784 -7.066 4.585 1.00 0.00 C ATOM 0 H LEU A 56 -0.346 -8.896 5.216 1.00 0.00 H new ATOM 0 HA LEU A 56 0.857 -9.398 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.014 -6.807 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.539 -7.572 2.380 1.00 0.00 H new ATOM 0 HG LEU A 56 0.245 -6.778 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.773 -4.561 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.687 -4.798 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.925 -4.937 3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.189 -6.478 5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.407 -6.929 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.774 -8.120 4.862 1.00 0.00 H new ATOM 874 N VAL A 57 2.419 -8.043 5.192 1.00 0.00 N ATOM 875 CA VAL A 57 3.743 -7.800 5.751 1.00 0.00 C ATOM 876 C VAL A 57 4.532 -9.095 5.885 1.00 0.00 C ATOM 877 O VAL A 57 3.965 -10.170 6.090 1.00 0.00 O ATOM 878 CB VAL A 57 3.688 -7.097 7.122 1.00 0.00 C ATOM 879 CG1 VAL A 57 3.530 -5.594 6.939 1.00 0.00 C ATOM 880 CG2 VAL A 57 2.571 -7.669 7.986 1.00 0.00 C ATOM 0 H VAL A 57 1.645 -7.778 5.801 1.00 0.00 H new ATOM 0 HA VAL A 57 4.247 -7.136 5.049 1.00 0.00 H new ATOM 0 HB VAL A 57 4.629 -7.280 7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.493 -5.111 7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.377 -5.205 6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.607 -5.389 6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.555 -7.155 8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.614 -7.529 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.744 -8.733 8.146 1.00 0.00 H new ATOM 890 N ASP A 58 5.845 -8.972 5.767 1.00 0.00 N ATOM 891 CA ASP A 58 6.741 -10.117 5.875 1.00 0.00 C ATOM 892 C ASP A 58 6.623 -10.753 7.257 1.00 0.00 C ATOM 893 O ASP A 58 6.233 -11.912 7.384 1.00 0.00 O ATOM 894 CB ASP A 58 8.189 -9.687 5.606 1.00 0.00 C ATOM 895 CG ASP A 58 9.156 -10.856 5.517 1.00 0.00 C ATOM 896 OD1 ASP A 58 8.711 -12.021 5.600 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.367 -10.605 5.365 1.00 0.00 O ATOM 0 H ASP A 58 6.318 -8.085 5.595 1.00 0.00 H new ATOM 0 HA ASP A 58 6.454 -10.856 5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.226 -9.122 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.515 -9.015 6.400 1.00 0.00 H new ATOM 902 N GLN A 59 6.946 -9.976 8.289 1.00 0.00 N ATOM 903 CA GLN A 59 6.861 -10.452 9.667 1.00 0.00 C ATOM 904 C GLN A 59 7.072 -9.313 10.660 1.00 0.00 C ATOM 905 O GLN A 59 6.347 -9.199 11.648 1.00 0.00 O ATOM 906 CB GLN A 59 7.883 -11.566 9.926 1.00 0.00 C ATOM 907 CG GLN A 59 7.265 -12.950 10.071 1.00 0.00 C ATOM 908 CD GLN A 59 6.689 -13.202 11.455 1.00 0.00 C ATOM 909 OE1 GLN A 59 6.905 -12.425 12.386 1.00 0.00 O ATOM 910 NE2 GLN A 59 5.949 -14.297 11.595 1.00 0.00 N ATOM 0 H GLN A 59 7.269 -9.013 8.196 1.00 0.00 H new ATOM 0 HA GLN A 59 5.858 -10.854 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.601 -11.584 9.107 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.440 -11.331 10.833 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.476 -13.069 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.022 -13.704 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.795 -14.914 10.797 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.535 -14.520 12.500 1.00 0.00 H new ATOM 919 N THR A 60 8.066 -8.467 10.390 1.00 0.00 N ATOM 920 CA THR A 60 8.366 -7.336 11.261 1.00 0.00 C ATOM 921 C THR A 60 7.500 -6.118 10.930 1.00 0.00 C ATOM 922 O THR A 60 7.761 -5.018 11.420 1.00 0.00 O ATOM 923 CB THR A 60 9.851 -6.972 11.162 1.00 0.00 C ATOM 924 OG1 THR A 60 10.229 -6.768 9.811 1.00 0.00 O ATOM 925 CG2 THR A 60 10.767 -8.031 11.737 1.00 0.00 C ATOM 0 H THR A 60 8.675 -8.545 9.576 1.00 0.00 H new ATOM 0 HA THR A 60 8.136 -7.636 12.283 1.00 0.00 H new ATOM 0 HB THR A 60 9.963 -6.059 11.747 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.180 -6.535 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.804 -7.710 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.535 -8.179 12.792 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.623 -8.968 11.199 1.00 0.00 H new ATOM 933 N GLY A 61 6.468 -6.314 10.098 1.00 0.00 N ATOM 934 CA GLY A 61 5.592 -5.216 9.728 1.00 0.00 C ATOM 935 C GLY A 61 6.353 -4.029 9.163 1.00 0.00 C ATOM 936 O GLY A 61 5.908 -2.887 9.275 1.00 0.00 O ATOM 0 H GLY A 61 6.229 -7.212 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.870 -5.565 8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.025 -4.897 10.603 1.00 0.00 H new ATOM 940 N GLN A 62 7.506 -4.310 8.557 1.00 0.00 N ATOM 941 CA GLN A 62 8.343 -3.270 7.969 1.00 0.00 C ATOM 942 C GLN A 62 8.401 -3.430 6.457 1.00 0.00 C ATOM 943 O GLN A 62 8.267 -2.459 5.711 1.00 0.00 O ATOM 944 CB GLN A 62 9.755 -3.324 8.565 1.00 0.00 C ATOM 945 CG GLN A 62 10.695 -2.255 8.029 1.00 0.00 C ATOM 946 CD GLN A 62 11.978 -2.156 8.830 1.00 0.00 C ATOM 947 OE1 GLN A 62 13.064 -2.436 8.323 1.00 0.00 O ATOM 948 NE2 GLN A 62 11.860 -1.757 10.093 1.00 0.00 N ATOM 0 H GLN A 62 7.881 -5.254 8.461 1.00 0.00 H new ATOM 0 HA GLN A 62 7.905 -2.299 8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.685 -3.222 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.185 -4.305 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.936 -2.476 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.188 -1.290 8.041 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.940 -1.535 10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.689 -1.673 10.681 1.00 0.00 H new ATOM 957 N THR A 63 8.588 -4.670 6.013 1.00 0.00 N ATOM 958 CA THR A 63 8.650 -4.979 4.591 1.00 0.00 C ATOM 959 C THR A 63 7.592 -6.017 4.238 1.00 0.00 C ATOM 960 O THR A 63 7.361 -6.953 5.003 1.00 0.00 O ATOM 961 CB THR A 63 10.048 -5.487 4.213 1.00 0.00 C ATOM 962 OG1 THR A 63 10.113 -5.818 2.834 1.00 0.00 O ATOM 963 CG2 THR A 63 10.481 -6.709 4.999 1.00 0.00 C ATOM 0 H THR A 63 8.700 -5.480 6.623 1.00 0.00 H new ATOM 0 HA THR A 63 8.452 -4.069 4.024 1.00 0.00 H new ATOM 0 HB THR A 63 10.721 -4.664 4.453 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.962 -6.270 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.478 -7.013 4.680 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.498 -6.471 6.062 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.779 -7.524 4.821 1.00 0.00 H new ATOM 971 N LEU A 64 6.945 -5.843 3.086 1.00 0.00 N ATOM 972 CA LEU A 64 5.905 -6.774 2.652 1.00 0.00 C ATOM 973 C LEU A 64 6.498 -8.148 2.341 1.00 0.00 C ATOM 974 O LEU A 64 7.682 -8.268 2.021 1.00 0.00 O ATOM 975 CB LEU A 64 5.167 -6.233 1.422 1.00 0.00 C ATOM 976 CG LEU A 64 4.062 -5.204 1.706 1.00 0.00 C ATOM 977 CD1 LEU A 64 3.134 -5.091 0.506 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.270 -5.577 2.955 1.00 0.00 C ATOM 0 H LEU A 64 7.121 -5.072 2.441 1.00 0.00 H new ATOM 0 HA LEU A 64 5.192 -6.879 3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.898 -5.778 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.726 -7.074 0.887 1.00 0.00 H new ATOM 0 HG LEU A 64 4.534 -4.238 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.354 -4.359 0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.704 -4.772 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.678 -6.061 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.495 -4.831 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.808 -6.554 2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.940 -5.613 3.814 1.00 0.00 H new ATOM 990 N ARG A 65 5.668 -9.181 2.444 1.00 0.00 N ATOM 991 CA ARG A 65 6.104 -10.549 2.180 1.00 0.00 C ATOM 992 C ARG A 65 6.299 -10.788 0.681 1.00 0.00 C ATOM 993 O ARG A 65 5.704 -10.095 -0.148 1.00 0.00 O ATOM 994 CB ARG A 65 5.092 -11.553 2.746 1.00 0.00 C ATOM 995 CG ARG A 65 3.738 -11.524 2.048 1.00 0.00 C ATOM 996 CD ARG A 65 3.306 -12.913 1.607 1.00 0.00 C ATOM 997 NE ARG A 65 2.466 -13.573 2.607 1.00 0.00 N ATOM 998 CZ ARG A 65 2.110 -14.858 2.554 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.513 -15.627 1.545 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.349 -15.377 3.510 1.00 0.00 N ATOM 0 H ARG A 65 4.687 -9.097 2.709 1.00 0.00 H new ATOM 0 HA ARG A 65 7.064 -10.695 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.509 -12.557 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.947 -11.349 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.990 -11.106 2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.789 -10.866 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.760 -12.840 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.189 -13.523 1.417 1.00 0.00 H new ATOM 0 HE ARG A 65 2.132 -13.016 3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.097 -15.235 0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.238 -16.608 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.036 -14.793 4.286 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.077 -16.359 3.469 1.00 0.00 H new ATOM 1014 N PRO A 66 7.140 -11.780 0.315 1.00 0.00 N ATOM 1015 CA PRO A 66 7.412 -12.117 -1.090 1.00 0.00 C ATOM 1016 C PRO A 66 6.134 -12.400 -1.878 1.00 0.00 C ATOM 1017 O PRO A 66 5.201 -13.020 -1.362 1.00 0.00 O ATOM 1018 CB PRO A 66 8.268 -13.384 -0.997 1.00 0.00 C ATOM 1019 CG PRO A 66 8.895 -13.322 0.352 1.00 0.00 C ATOM 1020 CD PRO A 66 7.887 -12.652 1.243 1.00 0.00 C ATOM 0 HA PRO A 66 7.898 -11.295 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.660 -14.281 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.023 -13.410 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.137 -14.320 0.717 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.828 -12.758 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.233 -13.377 1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.369 -12.078 2.035 1.00 0.00 H new ATOM 1028 N GLY A 67 6.098 -11.932 -3.123 1.00 0.00 N ATOM 1029 CA GLY A 67 4.929 -12.132 -3.963 1.00 0.00 C ATOM 1030 C GLY A 67 4.336 -10.822 -4.443 1.00 0.00 C ATOM 1031 O GLY A 67 4.050 -10.663 -5.630 1.00 0.00 O ATOM 0 H GLY A 67 6.859 -11.417 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.203 -12.742 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.175 -12.688 -3.406 1.00 0.00 H new ATOM 1035 N ILE A 68 4.156 -9.880 -3.517 1.00 0.00 N ATOM 1036 CA ILE A 68 3.599 -8.570 -3.848 1.00 0.00 C ATOM 1037 C ILE A 68 4.665 -7.660 -4.456 1.00 0.00 C ATOM 1038 O ILE A 68 5.849 -7.769 -4.132 1.00 0.00 O ATOM 1039 CB ILE A 68 3.002 -7.870 -2.607 1.00 0.00 C ATOM 1040 CG1 ILE A 68 2.059 -8.812 -1.856 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.271 -6.597 -3.012 1.00 0.00 C ATOM 1042 CD1 ILE A 68 2.085 -8.613 -0.359 1.00 0.00 C ATOM 0 H ILE A 68 4.388 -10.001 -2.531 1.00 0.00 H new ATOM 0 HA ILE A 68 2.804 -8.745 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 68 3.821 -7.601 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.042 -8.662 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.329 -9.843 -2.083 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.857 -6.117 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.969 -5.917 -3.500 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.463 -6.845 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.394 -9.312 0.113 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.093 -8.791 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.786 -7.592 -0.122 1.00 0.00 H new ATOM 1054 N LEU A 69 4.232 -6.751 -5.330 1.00 0.00 N ATOM 1055 CA LEU A 69 5.142 -5.813 -5.979 1.00 0.00 C ATOM 1056 C LEU A 69 4.643 -4.381 -5.825 1.00 0.00 C ATOM 1057 O LEU A 69 3.698 -3.969 -6.501 1.00 0.00 O ATOM 1058 CB LEU A 69 5.298 -6.160 -7.462 1.00 0.00 C ATOM 1059 CG LEU A 69 6.568 -6.937 -7.817 1.00 0.00 C ATOM 1060 CD1 LEU A 69 6.444 -7.546 -9.206 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.790 -6.030 -7.735 1.00 0.00 C ATOM 0 H LEU A 69 3.255 -6.646 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 69 6.115 -5.893 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.433 -6.745 -7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.283 -5.235 -8.039 1.00 0.00 H new ATOM 0 HG LEU A 69 6.694 -7.745 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.355 -8.096 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.593 -8.226 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.296 -6.753 -9.939 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.684 -6.599 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.676 -5.201 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.886 -5.640 -6.722 1.00 0.00 H new ATOM 1073 N VAL A 70 5.281 -3.624 -4.930 1.00 0.00 N ATOM 1074 CA VAL A 70 4.902 -2.231 -4.689 1.00 0.00 C ATOM 1075 C VAL A 70 5.429 -1.324 -5.801 1.00 0.00 C ATOM 1076 O VAL A 70 6.632 -1.300 -6.078 1.00 0.00 O ATOM 1077 CB VAL A 70 5.414 -1.717 -3.322 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.784 -2.499 -2.177 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.934 -1.783 -3.244 1.00 0.00 C ATOM 0 H VAL A 70 6.061 -3.952 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 70 3.812 -2.200 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 70 5.116 -0.673 -3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.160 -2.119 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.701 -2.384 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.040 -3.554 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.265 -1.416 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.260 -2.815 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.366 -1.166 -4.032 1.00 0.00 H new ATOM 1089 N LEU A 71 4.521 -0.589 -6.444 1.00 0.00 N ATOM 1090 CA LEU A 71 4.894 0.310 -7.535 1.00 0.00 C ATOM 1091 C LEU A 71 4.416 1.737 -7.269 1.00 0.00 C ATOM 1092 O LEU A 71 3.316 1.950 -6.755 1.00 0.00 O ATOM 1093 CB LEU A 71 4.314 -0.182 -8.867 1.00 0.00 C ATOM 1094 CG LEU A 71 4.250 -1.704 -9.042 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.641 -2.054 -10.391 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.637 -2.322 -8.904 1.00 0.00 C ATOM 0 H LEU A 71 3.524 -0.599 -6.228 1.00 0.00 H new ATOM 0 HA LEU A 71 5.982 0.312 -7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.307 0.220 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.912 0.234 -9.678 1.00 0.00 H new ATOM 0 HG LEU A 71 3.616 -2.115 -8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.602 -3.138 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.632 -1.646 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.252 -1.630 -11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.568 -3.402 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.297 -1.908 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.038 -2.098 -7.916 1.00 0.00 H new ATOM 1108 N VAL A 72 5.251 2.709 -7.638 1.00 0.00 N ATOM 1109 CA VAL A 72 4.924 4.120 -7.455 1.00 0.00 C ATOM 1110 C VAL A 72 4.649 4.785 -8.802 1.00 0.00 C ATOM 1111 O VAL A 72 5.570 5.025 -9.586 1.00 0.00 O ATOM 1112 CB VAL A 72 6.061 4.879 -6.736 1.00 0.00 C ATOM 1113 CG1 VAL A 72 5.644 6.312 -6.432 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.471 4.157 -5.459 1.00 0.00 C ATOM 0 H VAL A 72 6.161 2.542 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 72 4.030 4.165 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 72 6.923 4.908 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.459 6.829 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.410 6.828 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.764 6.306 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.273 4.710 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.615 4.090 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.819 3.154 -5.704 1.00 0.00 H new ATOM 1124 N ASN A 73 3.372 5.076 -9.064 1.00 0.00 N ATOM 1125 CA ASN A 73 2.957 5.712 -10.316 1.00 0.00 C ATOM 1126 C ASN A 73 3.349 4.853 -11.521 1.00 0.00 C ATOM 1127 O ASN A 73 4.040 5.318 -12.431 1.00 0.00 O ATOM 1128 CB ASN A 73 3.570 7.113 -10.440 1.00 0.00 C ATOM 1129 CG ASN A 73 2.760 8.165 -9.703 1.00 0.00 C ATOM 1130 OD1 ASN A 73 1.737 8.636 -10.200 1.00 0.00 O ATOM 1131 ND2 ASN A 73 3.211 8.539 -8.512 1.00 0.00 N ATOM 0 H ASN A 73 2.604 4.880 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 73 1.871 5.807 -10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.586 7.098 -10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.640 7.384 -11.493 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.705 9.242 -7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.063 8.124 -8.136 1.00 0.00 H new ATOM 1138 N SER A 74 2.903 3.595 -11.513 1.00 0.00 N ATOM 1139 CA SER A 74 3.203 2.659 -12.597 1.00 0.00 C ATOM 1140 C SER A 74 4.715 2.495 -12.789 1.00 0.00 C ATOM 1141 O SER A 74 5.225 2.586 -13.909 1.00 0.00 O ATOM 1142 CB SER A 74 2.545 3.133 -13.898 1.00 0.00 C ATOM 1143 OG SER A 74 2.600 2.129 -14.898 1.00 0.00 O ATOM 0 H SER A 74 2.332 3.201 -10.766 1.00 0.00 H new ATOM 0 HA SER A 74 2.795 1.685 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.506 3.402 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.046 4.033 -14.255 1.00 0.00 H new ATOM 0 HG SER A 74 3.535 1.900 -15.081 1.00 0.00 H new ATOM 1149 N CYS A 75 5.427 2.251 -11.690 1.00 0.00 N ATOM 1150 CA CYS A 75 6.874 2.070 -11.737 1.00 0.00 C ATOM 1151 C CYS A 75 7.376 1.391 -10.467 1.00 0.00 C ATOM 1152 O CYS A 75 6.862 1.643 -9.377 1.00 0.00 O ATOM 1153 CB CYS A 75 7.573 3.419 -11.919 1.00 0.00 C ATOM 1154 SG CYS A 75 9.374 3.310 -12.032 1.00 0.00 S ATOM 0 H CYS A 75 5.024 2.174 -10.756 1.00 0.00 H new ATOM 0 HA CYS A 75 7.109 1.431 -12.588 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.191 3.894 -12.823 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.311 4.067 -11.083 1.00 0.00 H new ATOM 0 HG CYS A 75 9.872 4.501 -12.187 1.00 0.00 H new ATOM 1160 N ASP A 76 8.382 0.528 -10.612 1.00 0.00 N ATOM 1161 CA ASP A 76 8.952 -0.190 -9.470 1.00 0.00 C ATOM 1162 C ASP A 76 9.389 0.778 -8.371 1.00 0.00 C ATOM 1163 O ASP A 76 10.208 1.668 -8.601 1.00 0.00 O ATOM 1164 CB ASP A 76 10.145 -1.045 -9.917 1.00 0.00 C ATOM 1165 CG ASP A 76 9.723 -2.394 -10.475 1.00 0.00 C ATOM 1166 OD1 ASP A 76 8.738 -2.441 -11.245 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.380 -3.402 -10.146 1.00 0.00 O ATOM 0 H ASP A 76 8.819 0.309 -11.507 1.00 0.00 H new ATOM 0 HA ASP A 76 8.177 -0.841 -9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.711 -0.504 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.814 -1.200 -9.070 1.00 0.00 H new ATOM 1172 N ALA A 77 8.832 0.595 -7.173 1.00 0.00 N ATOM 1173 CA ALA A 77 9.161 1.451 -6.032 1.00 0.00 C ATOM 1174 C ALA A 77 10.536 1.122 -5.450 1.00 0.00 C ATOM 1175 O ALA A 77 11.131 1.947 -4.754 1.00 0.00 O ATOM 1176 CB ALA A 77 8.096 1.326 -4.949 1.00 0.00 C ATOM 0 H ALA A 77 8.152 -0.137 -6.968 1.00 0.00 H new ATOM 0 HA ALA A 77 9.189 2.478 -6.395 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.355 1.969 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.130 1.629 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.040 0.291 -4.611 1.00 0.00 H new ATOM 1182 N GLU A 78 11.038 -0.080 -5.739 1.00 0.00 N ATOM 1183 CA GLU A 78 12.342 -0.512 -5.242 1.00 0.00 C ATOM 1184 C GLU A 78 13.470 0.229 -5.943 1.00 0.00 C ATOM 1185 O GLU A 78 14.561 0.371 -5.390 1.00 0.00 O ATOM 1186 CB GLU A 78 12.514 -2.021 -5.425 1.00 0.00 C ATOM 1187 CG GLU A 78 11.641 -2.844 -4.491 1.00 0.00 C ATOM 1188 CD GLU A 78 12.388 -3.339 -3.265 1.00 0.00 C ATOM 1189 OE1 GLU A 78 13.179 -2.560 -2.691 1.00 0.00 O ATOM 1190 OE2 GLU A 78 12.179 -4.507 -2.876 1.00 0.00 O ATOM 0 H GLU A 78 10.559 -0.771 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 78 12.386 -0.277 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.279 -2.284 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.559 -2.283 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.790 -2.242 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.241 -3.699 -5.036 1.00 0.00 H new ATOM 1197 N VAL A 79 13.203 0.707 -7.158 1.00 0.00 N ATOM 1198 CA VAL A 79 14.203 1.439 -7.922 1.00 0.00 C ATOM 1199 C VAL A 79 14.725 2.643 -7.132 1.00 0.00 C ATOM 1200 O VAL A 79 15.889 3.023 -7.263 1.00 0.00 O ATOM 1201 CB VAL A 79 13.646 1.928 -9.275 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.760 2.518 -10.125 1.00 0.00 C ATOM 1203 CG2 VAL A 79 12.948 0.793 -10.014 1.00 0.00 C ATOM 0 H VAL A 79 12.305 0.599 -7.630 1.00 0.00 H new ATOM 0 HA VAL A 79 15.021 0.744 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 79 12.910 2.708 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.351 2.858 -11.076 1.00 0.00 H new ATOM 0 HG12 VAL A 79 15.210 3.361 -9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.519 1.758 -10.308 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.563 1.161 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.658 -0.013 -10.197 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.122 0.418 -9.409 1.00 0.00 H new ATOM 1213 N VAL A 80 13.855 3.238 -6.313 1.00 0.00 N ATOM 1214 CA VAL A 80 14.229 4.395 -5.505 1.00 0.00 C ATOM 1215 C VAL A 80 14.404 4.021 -4.031 1.00 0.00 C ATOM 1216 O VAL A 80 15.307 4.526 -3.363 1.00 0.00 O ATOM 1217 CB VAL A 80 13.188 5.529 -5.625 1.00 0.00 C ATOM 1218 CG1 VAL A 80 13.115 6.029 -7.059 1.00 0.00 C ATOM 1219 CG2 VAL A 80 11.817 5.066 -5.144 1.00 0.00 C ATOM 0 H VAL A 80 12.888 2.936 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 80 15.184 4.749 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 80 13.505 6.353 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.377 6.828 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.091 6.409 -7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.825 5.209 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.103 5.884 -5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.485 4.222 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.882 4.761 -4.100 1.00 0.00 H new ATOM 1229 N GLY A 81 13.534 3.141 -3.529 1.00 0.00 N ATOM 1230 CA GLY A 81 13.614 2.732 -2.138 1.00 0.00 C ATOM 1231 C GLY A 81 13.008 1.363 -1.886 1.00 0.00 C ATOM 1232 O GLY A 81 13.678 0.470 -1.366 1.00 0.00 O ATOM 0 H GLY A 81 12.779 2.708 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.659 2.724 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.103 3.469 -1.518 1.00 0.00 H new ATOM 1236 N GLY A 82 11.735 1.200 -2.247 1.00 0.00 N ATOM 1237 CA GLY A 82 11.054 -0.068 -2.047 1.00 0.00 C ATOM 1238 C GLY A 82 10.186 -0.069 -0.805 1.00 0.00 C ATOM 1239 O GLY A 82 8.997 -0.386 -0.872 1.00 0.00 O ATOM 0 H GLY A 82 11.163 1.927 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.437 -0.287 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.793 -0.866 -1.971 1.00 0.00 H new ATOM 1243 N MET A 83 10.782 0.291 0.331 1.00 0.00 N ATOM 1244 CA MET A 83 10.061 0.336 1.599 1.00 0.00 C ATOM 1245 C MET A 83 10.409 1.599 2.396 1.00 0.00 C ATOM 1246 O MET A 83 10.265 1.627 3.619 1.00 0.00 O ATOM 1247 CB MET A 83 10.372 -0.919 2.429 1.00 0.00 C ATOM 1248 CG MET A 83 11.859 -1.158 2.654 1.00 0.00 C ATOM 1249 SD MET A 83 12.567 -2.308 1.459 1.00 0.00 S ATOM 1250 CE MET A 83 12.634 -3.810 2.433 1.00 0.00 C ATOM 0 H MET A 83 11.765 0.556 0.397 1.00 0.00 H new ATOM 0 HA MET A 83 8.994 0.364 1.378 1.00 0.00 H new ATOM 0 HB2 MET A 83 9.877 -0.834 3.397 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.946 -1.788 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.389 -0.207 2.595 1.00 0.00 H new ATOM 0 HG3 MET A 83 12.012 -1.546 3.661 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.674 -4.062 2.642 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.101 -3.659 3.372 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.168 -4.624 1.878 1.00 0.00 H new ATOM 1260 N ASP A 84 10.862 2.646 1.696 1.00 0.00 N ATOM 1261 CA ASP A 84 11.223 3.902 2.348 1.00 0.00 C ATOM 1262 C ASP A 84 10.833 5.117 1.496 1.00 0.00 C ATOM 1263 O ASP A 84 11.448 6.180 1.599 1.00 0.00 O ATOM 1264 CB ASP A 84 12.728 3.927 2.645 1.00 0.00 C ATOM 1265 CG ASP A 84 13.093 4.944 3.710 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.645 4.784 4.864 1.00 0.00 O ATOM 1267 OD2 ASP A 84 13.825 5.903 3.386 1.00 0.00 O ATOM 0 H ASP A 84 10.985 2.645 0.683 1.00 0.00 H new ATOM 0 HA ASP A 84 10.668 3.962 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.048 2.936 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.272 4.154 1.728 1.00 0.00 H new ATOM 1272 N TYR A 85 9.806 4.959 0.660 1.00 0.00 N ATOM 1273 CA TYR A 85 9.347 6.049 -0.197 1.00 0.00 C ATOM 1274 C TYR A 85 8.512 7.054 0.597 1.00 0.00 C ATOM 1275 O TYR A 85 7.450 6.715 1.124 1.00 0.00 O ATOM 1276 CB TYR A 85 8.529 5.506 -1.370 1.00 0.00 C ATOM 1277 CG TYR A 85 8.368 6.496 -2.502 1.00 0.00 C ATOM 1278 CD1 TYR A 85 7.535 7.598 -2.371 1.00 0.00 C ATOM 1279 CD2 TYR A 85 9.047 6.327 -3.702 1.00 0.00 C ATOM 1280 CE1 TYR A 85 7.386 8.507 -3.397 1.00 0.00 C ATOM 1281 CE2 TYR A 85 8.903 7.233 -4.735 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.069 8.322 -4.578 1.00 0.00 C ATOM 1283 OH TYR A 85 7.920 9.224 -5.606 1.00 0.00 O ATOM 0 H TYR A 85 9.280 4.091 0.559 1.00 0.00 H new ATOM 0 HA TYR A 85 10.228 6.559 -0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.009 4.605 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.542 5.214 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.993 7.746 -1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.697 5.474 -3.829 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.736 9.361 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.440 7.090 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 85 8.472 8.947 -6.367 1.00 0.00 H new ATOM 1293 N VAL A 86 9.002 8.292 0.675 1.00 0.00 N ATOM 1294 CA VAL A 86 8.307 9.354 1.402 1.00 0.00 C ATOM 1295 C VAL A 86 7.100 9.866 0.616 1.00 0.00 C ATOM 1296 O VAL A 86 7.181 10.083 -0.594 1.00 0.00 O ATOM 1297 CB VAL A 86 9.246 10.540 1.724 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.259 10.146 2.790 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.951 11.040 0.468 1.00 0.00 C ATOM 0 H VAL A 86 9.879 8.584 0.243 1.00 0.00 H new ATOM 0 HA VAL A 86 7.965 8.915 2.340 1.00 0.00 H new ATOM 0 HB VAL A 86 8.637 11.356 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.911 10.993 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.735 9.854 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.858 9.309 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.604 11.874 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.544 10.233 0.038 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.209 11.371 -0.258 1.00 0.00 H new ATOM 1309 N LEU A 87 5.981 10.054 1.316 1.00 0.00 N ATOM 1310 CA LEU A 87 4.750 10.537 0.687 1.00 0.00 C ATOM 1311 C LEU A 87 4.715 12.064 0.636 1.00 0.00 C ATOM 1312 O LEU A 87 5.458 12.738 1.352 1.00 0.00 O ATOM 1313 CB LEU A 87 3.526 10.008 1.441 1.00 0.00 C ATOM 1314 CG LEU A 87 2.885 8.756 0.837 1.00 0.00 C ATOM 1315 CD1 LEU A 87 3.613 7.503 1.307 1.00 0.00 C ATOM 1316 CD2 LEU A 87 1.408 8.686 1.200 1.00 0.00 C ATOM 0 H LEU A 87 5.901 9.880 2.318 1.00 0.00 H new ATOM 0 HA LEU A 87 4.728 10.164 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.818 9.789 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.776 10.797 1.484 1.00 0.00 H new ATOM 0 HG LEU A 87 2.970 8.814 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.143 6.623 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.657 7.551 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.560 7.438 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.968 7.790 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.301 8.651 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.896 9.567 0.814 1.00 0.00 H new ATOM 1328 N ASN A 88 3.847 12.602 -0.222 1.00 0.00 N ATOM 1329 CA ASN A 88 3.710 14.050 -0.377 1.00 0.00 C ATOM 1330 C ASN A 88 2.261 14.445 -0.688 1.00 0.00 C ATOM 1331 O ASN A 88 2.010 15.400 -1.422 1.00 0.00 O ATOM 1332 CB ASN A 88 4.645 14.541 -1.488 1.00 0.00 C ATOM 1333 CG ASN A 88 4.773 16.053 -1.526 1.00 0.00 C ATOM 1334 OD1 ASN A 88 4.721 16.719 -0.492 1.00 0.00 O ATOM 1335 ND2 ASN A 88 4.935 16.602 -2.724 1.00 0.00 N ATOM 0 H ASN A 88 3.228 12.056 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 88 3.987 14.523 0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.632 14.101 -1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.274 14.188 -2.450 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.022 17.614 -2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.973 16.011 -3.555 1.00 0.00 H new ATOM 1342 N ASP A 89 1.309 13.693 -0.126 1.00 0.00 N ATOM 1343 CA ASP A 89 -0.120 13.946 -0.339 1.00 0.00 C ATOM 1344 C ASP A 89 -0.492 13.835 -1.819 1.00 0.00 C ATOM 1345 O ASP A 89 -1.451 14.458 -2.275 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.521 15.326 0.205 1.00 0.00 C ATOM 1347 CG ASP A 89 -1.793 15.287 1.045 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -2.347 14.185 1.259 1.00 0.00 O ATOM 1349 OD2 ASP A 89 -2.236 16.364 1.490 1.00 0.00 O ATOM 0 H ASP A 89 1.504 12.899 0.484 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.671 13.181 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.295 15.724 0.809 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.664 16.012 -0.630 1.00 0.00 H new ATOM 1354 N GLY A 90 0.268 13.032 -2.560 1.00 0.00 N ATOM 1355 CA GLY A 90 0.003 12.848 -3.976 1.00 0.00 C ATOM 1356 C GLY A 90 0.819 11.713 -4.562 1.00 0.00 C ATOM 1357 O GLY A 90 1.327 11.819 -5.679 1.00 0.00 O ATOM 0 H GLY A 90 1.065 12.504 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.058 12.646 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 90 0.229 13.771 -4.510 1.00 0.00 H new ATOM 1361 N ASP A 91 0.950 10.627 -3.799 1.00 0.00 N ATOM 1362 CA ASP A 91 1.714 9.468 -4.238 1.00 0.00 C ATOM 1363 C ASP A 91 0.794 8.334 -4.679 1.00 0.00 C ATOM 1364 O ASP A 91 -0.410 8.352 -4.414 1.00 0.00 O ATOM 1365 CB ASP A 91 2.640 8.987 -3.118 1.00 0.00 C ATOM 1366 CG ASP A 91 3.951 8.430 -3.649 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.602 9.116 -4.466 1.00 0.00 O ATOM 1368 OD2 ASP A 91 4.320 7.305 -3.250 1.00 0.00 O ATOM 0 H ASP A 91 0.534 10.530 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 91 2.316 9.769 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.848 9.816 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.132 8.219 -2.535 1.00 0.00 H new ATOM 1373 N THR A 92 1.380 7.344 -5.354 1.00 0.00 N ATOM 1374 CA THR A 92 0.634 6.191 -5.840 1.00 0.00 C ATOM 1375 C THR A 92 1.302 4.894 -5.387 1.00 0.00 C ATOM 1376 O THR A 92 2.526 4.765 -5.442 1.00 0.00 O ATOM 1377 CB THR A 92 0.535 6.232 -7.368 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.186 7.378 -7.793 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.146 5.017 -7.967 1.00 0.00 C ATOM 0 H THR A 92 2.375 7.322 -5.576 1.00 0.00 H new ATOM 0 HA THR A 92 -0.372 6.226 -5.422 1.00 0.00 H new ATOM 0 HB THR A 92 1.567 6.256 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.307 7.827 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.180 5.117 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.413 4.119 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.161 4.940 -7.578 1.00 0.00 H new ATOM 1387 N VAL A 93 0.491 3.936 -4.942 1.00 0.00 N ATOM 1388 CA VAL A 93 1.000 2.648 -4.482 1.00 0.00 C ATOM 1389 C VAL A 93 0.068 1.511 -4.898 1.00 0.00 C ATOM 1390 O VAL A 93 -1.154 1.609 -4.755 1.00 0.00 O ATOM 1391 CB VAL A 93 1.195 2.631 -2.948 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.093 3.018 -2.233 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.690 1.266 -2.480 1.00 0.00 C ATOM 0 H VAL A 93 -0.523 4.029 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 93 1.971 2.499 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 93 1.955 3.370 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.069 2.999 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.391 4.021 -2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.881 2.311 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.820 1.278 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.960 0.502 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.644 1.041 -2.958 1.00 0.00 H new ATOM 1403 N GLU A 94 0.651 0.434 -5.422 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.128 -0.717 -5.868 1.00 0.00 C ATOM 1405 C GLU A 94 0.475 -2.024 -5.363 1.00 0.00 C ATOM 1406 O GLU A 94 1.694 -2.200 -5.366 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.208 -0.740 -7.397 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.548 0.610 -8.013 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.170 0.699 -9.478 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.671 -0.124 -10.273 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.629 1.594 -9.832 1.00 0.00 O ATOM 0 H GLU A 94 1.658 0.336 -5.547 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.132 -0.622 -5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.747 -1.082 -7.797 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.960 -1.468 -7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.617 0.794 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.033 1.396 -7.461 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.393 -2.940 -4.930 1.00 0.00 N ATOM 1419 CA PHE A 95 0.041 -4.239 -4.421 1.00 0.00 C ATOM 1420 C PHE A 95 -0.350 -5.349 -5.395 1.00 0.00 C ATOM 1421 O PHE A 95 -1.523 -5.714 -5.493 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.571 -4.509 -3.042 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.475 -3.346 -2.093 1.00 0.00 C ATOM 1424 CD1 PHE A 95 -1.481 -2.395 -2.039 1.00 0.00 C ATOM 1425 CD2 PHE A 95 0.622 -3.205 -1.259 1.00 0.00 C ATOM 1426 CE1 PHE A 95 -1.397 -1.325 -1.170 1.00 0.00 C ATOM 1427 CE2 PHE A 95 0.712 -2.136 -0.387 1.00 0.00 C ATOM 1428 CZ PHE A 95 -0.298 -1.195 -0.343 1.00 0.00 C ATOM 0 H PHE A 95 -1.404 -2.804 -4.922 1.00 0.00 H new ATOM 0 HA PHE A 95 1.126 -4.223 -4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.620 -4.777 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.073 -5.370 -2.597 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.342 -2.492 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.415 -3.938 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.189 -0.591 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.572 -2.037 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.229 -0.359 0.337 1.00 0.00 H new ATOM 1438 N ILE A 96 0.638 -5.873 -6.119 1.00 0.00 N ATOM 1439 CA ILE A 96 0.397 -6.936 -7.091 1.00 0.00 C ATOM 1440 C ILE A 96 1.010 -8.256 -6.625 1.00 0.00 C ATOM 1441 O ILE A 96 2.218 -8.466 -6.751 1.00 0.00 O ATOM 1442 CB ILE A 96 0.970 -6.571 -8.479 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.479 -5.186 -8.914 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.588 -7.624 -9.512 1.00 0.00 C ATOM 1445 CD1 ILE A 96 1.446 -4.458 -9.819 1.00 0.00 C ATOM 0 H ILE A 96 1.612 -5.578 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.684 -7.052 -7.174 1.00 0.00 H new ATOM 0 HB ILE A 96 2.057 -6.544 -8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.476 -5.293 -9.428 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.297 -4.579 -8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.001 -7.348 -10.482 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.987 -8.592 -9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.498 -7.686 -9.584 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.032 -3.486 -10.086 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.395 -4.319 -9.301 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.609 -5.044 -10.723 1.00 0.00 H new ATOM 1457 N SER A 97 0.169 -9.137 -6.084 1.00 0.00 N ATOM 1458 CA SER A 97 0.626 -10.437 -5.596 1.00 0.00 C ATOM 1459 C SER A 97 0.701 -11.453 -6.732 1.00 0.00 C ATOM 1460 O SER A 97 -0.327 -11.879 -7.264 1.00 0.00 O ATOM 1461 CB SER A 97 -0.309 -10.951 -4.496 1.00 0.00 C ATOM 1462 OG SER A 97 0.173 -10.597 -3.211 1.00 0.00 O ATOM 0 H SER A 97 -0.832 -8.974 -5.973 1.00 0.00 H new ATOM 0 HA SER A 97 1.627 -10.309 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.307 -10.538 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.399 -12.035 -4.568 1.00 0.00 H new ATOM 0 HG SER A 97 -0.344 -9.840 -2.865 1.00 0.00 H new ATOM 1468 N THR A 98 1.923 -11.840 -7.098 1.00 0.00 N ATOM 1469 CA THR A 98 2.136 -12.810 -8.171 1.00 0.00 C ATOM 1470 C THR A 98 2.524 -14.176 -7.605 1.00 0.00 C ATOM 1471 O THR A 98 1.872 -15.182 -7.894 1.00 0.00 O ATOM 1472 CB THR A 98 3.216 -12.311 -9.137 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.369 -11.889 -8.428 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.756 -11.154 -10.000 1.00 0.00 C ATOM 0 H THR A 98 2.781 -11.496 -6.667 1.00 0.00 H new ATOM 0 HA THR A 98 1.199 -12.920 -8.717 1.00 0.00 H new ATOM 0 HB THR A 98 3.441 -13.159 -9.783 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.047 -11.576 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.567 -10.848 -10.661 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.898 -11.464 -10.597 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.471 -10.316 -9.364 1.00 0.00 H new