USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 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 53 MET CE :methyl -112:sc= -1.93! (180deg=-4.36!) USER MOD Set 1.2: A 56 GLN : amide:sc= -3.36! C(o=-5.3!,f=-11!) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 MET CE :methyl 158:sc= -0.605 (180deg=-2.48!) USER MOD Set 3.1: A 19 MET CE :methyl 170:sc= -2.4 (180deg=-2.44!) USER MOD Set 3.2: A 22 TYR OH : rot -150:sc= 1.33 USER MOD Set 3.3: A 55 HIS : no HD1:sc= 0.177 K(o=-0.89,f=-11!) USER MOD Single : A 9 THR OG1 : rot 160:sc= -0.31 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HE2:sc= -4.67! C(o=-4.7!,f=-5.7!) USER MOD Single : A 31 TYR OH : rot -170:sc= 0.00578 USER MOD Single : A 32 SER OG : rot -31:sc= 0.0941 USER MOD Single : A 40 MET CE :methyl 155:sc= -4.28 (180deg=-6.38!) USER MOD Single : A 41 ASN : amide:sc= -2.22 X(o=-2.2,f=-2.3) USER MOD Single : A 43 GLN : amide:sc= -0.738 K(o=-0.74,f=-1.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -74:sc= 1.22 USER MOD Single : A 64 GLN : amide:sc= -2.61! C(o=-2.6!,f=-4.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -125:sc= -5.29! (180deg=-8.33!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 8.028 4.245 -4.629 1.00 0.00 N ATOM 67 CA LEU A 8 8.919 3.169 -4.208 1.00 0.00 C ATOM 68 C LEU A 8 8.377 1.812 -4.643 1.00 0.00 C ATOM 69 O LEU A 8 7.338 1.726 -5.299 1.00 0.00 O ATOM 70 CB LEU A 8 9.102 3.196 -2.689 1.00 0.00 C ATOM 71 CG LEU A 8 7.825 2.973 -1.879 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.483 1.492 -1.818 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.976 3.545 -0.478 1.00 0.00 C ATOM 0 HA LEU A 8 9.886 3.323 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.828 2.431 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.530 4.158 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 8 7.007 3.494 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.571 1.353 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.332 1.112 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.301 0.949 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.057 3.377 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.806 3.053 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.172 4.615 -0.541 1.00 0.00 H new ATOM 85 N THR A 9 9.088 0.751 -4.274 1.00 0.00 N ATOM 86 CA THR A 9 8.681 -0.603 -4.627 1.00 0.00 C ATOM 87 C THR A 9 8.140 -1.348 -3.412 1.00 0.00 C ATOM 88 O THR A 9 8.575 -1.116 -2.284 1.00 0.00 O ATOM 89 CB THR A 9 9.852 -1.404 -5.227 1.00 0.00 C ATOM 90 OG1 THR A 9 9.393 -2.686 -5.668 1.00 0.00 O ATOM 91 CG2 THR A 9 10.965 -1.582 -4.205 1.00 0.00 C ATOM 0 H THR A 9 9.949 0.804 -3.730 1.00 0.00 H new ATOM 0 HA THR A 9 7.893 -0.511 -5.375 1.00 0.00 H new ATOM 0 HB THR A 9 10.246 -0.848 -6.077 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.027 -3.055 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.781 -2.150 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.332 -0.604 -3.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.580 -2.119 -3.338 1.00 0.00 H new ATOM 99 N VAL A 10 7.188 -2.245 -3.649 1.00 0.00 N ATOM 100 CA VAL A 10 6.589 -3.027 -2.574 1.00 0.00 C ATOM 101 C VAL A 10 7.638 -3.451 -1.552 1.00 0.00 C ATOM 102 O VAL A 10 7.323 -3.693 -0.388 1.00 0.00 O ATOM 103 CB VAL A 10 5.882 -4.282 -3.119 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.524 -5.229 -1.984 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.643 -3.894 -3.911 1.00 0.00 C ATOM 0 H VAL A 10 6.815 -2.448 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 10 5.852 -2.386 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 10 6.567 -4.800 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.025 -6.110 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.432 -5.533 -1.464 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.857 -4.724 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.156 -4.793 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.953 -3.352 -3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.931 -3.258 -4.748 1.00 0.00 H new ATOM 115 N GLY A 11 8.888 -3.538 -1.997 1.00 0.00 N ATOM 116 CA GLY A 11 9.965 -3.933 -1.108 1.00 0.00 C ATOM 117 C GLY A 11 10.395 -2.811 -0.185 1.00 0.00 C ATOM 118 O GLY A 11 10.510 -3.004 1.026 1.00 0.00 O ATOM 0 H GLY A 11 9.174 -3.342 -2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.645 -4.787 -0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.820 -4.260 -1.700 1.00 0.00 H new ATOM 122 N ASP A 12 10.636 -1.636 -0.756 1.00 0.00 N ATOM 123 CA ASP A 12 11.057 -0.478 0.024 1.00 0.00 C ATOM 124 C ASP A 12 10.127 -0.257 1.213 1.00 0.00 C ATOM 125 O ASP A 12 10.560 -0.281 2.365 1.00 0.00 O ATOM 126 CB ASP A 12 11.087 0.773 -0.855 1.00 0.00 C ATOM 127 CG ASP A 12 12.440 0.995 -1.500 1.00 0.00 C ATOM 128 OD1 ASP A 12 13.027 0.013 -2.001 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.914 2.151 -1.503 1.00 0.00 O ATOM 0 H ASP A 12 10.547 -1.460 -1.757 1.00 0.00 H new ATOM 0 HA ASP A 12 12.061 -0.671 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.327 0.686 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.828 1.643 -0.252 1.00 0.00 H new ATOM 134 N TRP A 13 8.849 -0.041 0.926 1.00 0.00 N ATOM 135 CA TRP A 13 7.858 0.186 1.972 1.00 0.00 C ATOM 136 C TRP A 13 7.856 -0.960 2.978 1.00 0.00 C ATOM 137 O TRP A 13 8.170 -0.769 4.152 1.00 0.00 O ATOM 138 CB TRP A 13 6.466 0.345 1.359 1.00 0.00 C ATOM 139 CG TRP A 13 5.393 -0.362 2.129 1.00 0.00 C ATOM 140 CD1 TRP A 13 5.015 -0.120 3.419 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.561 -1.429 1.659 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.998 -0.971 3.779 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.701 -1.784 2.717 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.458 -2.117 0.447 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.753 -2.796 2.597 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.517 -3.122 0.330 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.674 -3.454 1.400 1.00 0.00 C ATOM 0 H TRP A 13 8.474 -0.018 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 13 8.123 1.104 2.496 1.00 0.00 H new ATOM 0 HB2 TRP A 13 6.222 1.406 1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.481 -0.036 0.338 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.451 0.630 4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.539 -0.994 4.689 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.102 -1.868 -0.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 2.103 -3.053 3.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.429 -3.661 -0.602 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.948 -4.244 1.277 1.00 0.00 H new ATOM 158 N LEU A 14 7.500 -2.152 2.509 1.00 0.00 N ATOM 159 CA LEU A 14 7.458 -3.330 3.369 1.00 0.00 C ATOM 160 C LEU A 14 8.698 -3.402 4.254 1.00 0.00 C ATOM 161 O LEU A 14 8.602 -3.652 5.456 1.00 0.00 O ATOM 162 CB LEU A 14 7.345 -4.600 2.522 1.00 0.00 C ATOM 163 CG LEU A 14 5.953 -4.878 1.955 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.999 -6.034 0.968 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.970 -5.172 3.077 1.00 0.00 C ATOM 0 H LEU A 14 7.237 -2.328 1.539 1.00 0.00 H new ATOM 0 HA LEU A 14 6.581 -3.251 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.051 -4.530 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.650 -5.452 3.130 1.00 0.00 H new ATOM 0 HG LEU A 14 5.614 -3.988 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.999 -6.217 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.671 -5.785 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.360 -6.930 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.984 -5.368 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.306 -6.046 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.914 -4.313 3.746 1.00 0.00 H new ATOM 177 N ASP A 15 9.861 -3.183 3.651 1.00 0.00 N ATOM 178 CA ASP A 15 11.121 -3.223 4.384 1.00 0.00 C ATOM 179 C ASP A 15 11.048 -2.356 5.637 1.00 0.00 C ATOM 180 O ASP A 15 11.473 -2.770 6.716 1.00 0.00 O ATOM 181 CB ASP A 15 12.270 -2.753 3.491 1.00 0.00 C ATOM 182 CG ASP A 15 13.625 -3.192 4.011 1.00 0.00 C ATOM 183 OD1 ASP A 15 14.060 -2.660 5.054 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.250 -4.067 3.376 1.00 0.00 O ATOM 0 H ASP A 15 9.958 -2.976 2.657 1.00 0.00 H new ATOM 0 HA ASP A 15 11.304 -4.254 4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.127 -3.144 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.247 -1.666 3.417 1.00 0.00 H new ATOM 189 N SER A 16 10.508 -1.151 5.487 1.00 0.00 N ATOM 190 CA SER A 16 10.384 -0.223 6.605 1.00 0.00 C ATOM 191 C SER A 16 9.716 -0.898 7.799 1.00 0.00 C ATOM 192 O SER A 16 10.195 -0.801 8.929 1.00 0.00 O ATOM 193 CB SER A 16 9.580 1.010 6.186 1.00 0.00 C ATOM 194 OG SER A 16 10.315 1.813 5.279 1.00 0.00 O ATOM 0 H SER A 16 10.149 -0.794 4.601 1.00 0.00 H new ATOM 0 HA SER A 16 11.386 0.089 6.899 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.644 0.698 5.724 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.321 1.596 7.068 1.00 0.00 H new ATOM 0 HG SER A 16 9.779 2.593 5.025 1.00 0.00 H new ATOM 200 N ILE A 17 8.606 -1.582 7.539 1.00 0.00 N ATOM 201 CA ILE A 17 7.872 -2.274 8.591 1.00 0.00 C ATOM 202 C ILE A 17 8.460 -3.657 8.854 1.00 0.00 C ATOM 203 O ILE A 17 7.852 -4.482 9.536 1.00 0.00 O ATOM 204 CB ILE A 17 6.382 -2.422 8.234 1.00 0.00 C ATOM 205 CG1 ILE A 17 6.226 -3.094 6.868 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.698 -1.063 8.243 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.821 -3.582 6.591 1.00 0.00 C ATOM 0 H ILE A 17 8.196 -1.671 6.609 1.00 0.00 H new ATOM 0 HA ILE A 17 7.963 -1.666 9.491 1.00 0.00 H new ATOM 0 HB ILE A 17 5.905 -3.052 8.984 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.517 -2.388 6.090 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.914 -3.938 6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.645 -1.184 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.783 -0.619 9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.175 -0.411 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.785 -4.047 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.534 -4.312 7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.131 -2.739 6.620 1.00 0.00 H new ATOM 219 N ARG A 18 9.647 -3.902 8.308 1.00 0.00 N ATOM 220 CA ARG A 18 10.318 -5.185 8.484 1.00 0.00 C ATOM 221 C ARG A 18 9.484 -6.319 7.897 1.00 0.00 C ATOM 222 O ARG A 18 9.485 -7.436 8.415 1.00 0.00 O ATOM 223 CB ARG A 18 10.584 -5.447 9.967 1.00 0.00 C ATOM 224 CG ARG A 18 11.453 -4.389 10.627 1.00 0.00 C ATOM 225 CD ARG A 18 12.100 -4.913 11.899 1.00 0.00 C ATOM 226 NE ARG A 18 11.108 -5.380 12.865 1.00 0.00 N ATOM 227 CZ ARG A 18 11.416 -6.058 13.965 1.00 0.00 C ATOM 228 NH1 ARG A 18 12.681 -6.346 14.237 1.00 0.00 N ATOM 229 NH2 ARG A 18 10.458 -6.449 14.795 1.00 0.00 N ATOM 0 H ARG A 18 10.163 -3.230 7.741 1.00 0.00 H new ATOM 0 HA ARG A 18 11.269 -5.145 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.631 -5.503 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.065 -6.419 10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.227 -4.066 9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.848 -3.513 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.777 -5.730 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.703 -4.125 12.350 1.00 0.00 H new ATOM 0 HE ARG A 18 10.125 -5.174 12.685 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.420 -6.047 13.601 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.915 -6.867 15.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.484 -6.229 14.589 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.696 -6.970 15.639 1.00 0.00 H new ATOM 243 N MET A 19 8.772 -6.025 6.814 1.00 0.00 N ATOM 244 CA MET A 19 7.934 -7.021 6.157 1.00 0.00 C ATOM 245 C MET A 19 8.382 -7.243 4.715 1.00 0.00 C ATOM 246 O MET A 19 7.774 -8.020 3.979 1.00 0.00 O ATOM 247 CB MET A 19 6.468 -6.584 6.186 1.00 0.00 C ATOM 248 CG MET A 19 5.862 -6.581 7.580 1.00 0.00 C ATOM 249 SD MET A 19 5.534 -8.243 8.198 1.00 0.00 S ATOM 250 CE MET A 19 6.639 -8.304 9.607 1.00 0.00 C ATOM 0 H MET A 19 8.759 -5.105 6.373 1.00 0.00 H new ATOM 0 HA MET A 19 8.037 -7.961 6.700 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.387 -5.583 5.762 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.887 -7.249 5.547 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.538 -6.070 8.265 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.932 -6.012 7.567 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.426 -9.195 10.198 1.00 0.00 H new ATOM 0 HE2 MET A 19 7.671 -8.337 9.259 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.492 -7.417 10.223 1.00 0.00 H new ATOM 260 N GLY A 20 9.449 -6.556 4.319 1.00 0.00 N ATOM 261 CA GLY A 20 9.959 -6.692 2.967 1.00 0.00 C ATOM 262 C GLY A 20 10.190 -8.139 2.578 1.00 0.00 C ATOM 263 O GLY A 20 10.252 -8.468 1.393 1.00 0.00 O ATOM 0 H GLY A 20 9.969 -5.908 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.255 -6.239 2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.895 -6.141 2.878 1.00 0.00 H new ATOM 267 N ARG A 21 10.319 -9.006 3.577 1.00 0.00 N ATOM 268 CA ARG A 21 10.547 -10.425 3.333 1.00 0.00 C ATOM 269 C ARG A 21 9.374 -11.042 2.578 1.00 0.00 C ATOM 270 O ARG A 21 9.527 -12.052 1.891 1.00 0.00 O ATOM 271 CB ARG A 21 10.762 -11.163 4.655 1.00 0.00 C ATOM 272 CG ARG A 21 9.470 -11.500 5.382 1.00 0.00 C ATOM 273 CD ARG A 21 9.724 -12.401 6.581 1.00 0.00 C ATOM 274 NE ARG A 21 10.446 -11.707 7.644 1.00 0.00 N ATOM 275 CZ ARG A 21 9.855 -10.947 8.559 1.00 0.00 C ATOM 276 NH1 ARG A 21 8.540 -10.785 8.542 1.00 0.00 N ATOM 277 NH2 ARG A 21 10.581 -10.347 9.494 1.00 0.00 N ATOM 0 H ARG A 21 10.269 -8.750 4.563 1.00 0.00 H new ATOM 0 HA ARG A 21 11.443 -10.524 2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.311 -12.085 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.386 -10.551 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.987 -10.581 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.782 -11.992 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.773 -12.766 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.296 -13.273 6.264 1.00 0.00 H new ATOM 0 HE ARG A 21 11.460 -11.812 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.979 -11.245 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.089 -10.201 9.246 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.594 -10.469 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.126 -9.763 10.196 1.00 0.00 H new ATOM 291 N TYR A 22 8.203 -10.429 2.712 1.00 0.00 N ATOM 292 CA TYR A 22 7.003 -10.920 2.045 1.00 0.00 C ATOM 293 C TYR A 22 6.857 -10.300 0.659 1.00 0.00 C ATOM 294 O TYR A 22 6.021 -10.725 -0.139 1.00 0.00 O ATOM 295 CB TYR A 22 5.764 -10.611 2.887 1.00 0.00 C ATOM 296 CG TYR A 22 5.580 -11.547 4.061 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.420 -12.914 3.866 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.567 -11.065 5.364 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.252 -13.772 4.935 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.401 -11.916 6.439 1.00 0.00 C ATOM 301 CZ TYR A 22 5.243 -13.269 6.220 1.00 0.00 C ATOM 302 OH TYR A 22 5.076 -14.120 7.288 1.00 0.00 O ATOM 0 H TYR A 22 8.059 -9.592 3.276 1.00 0.00 H new ATOM 0 HA TYR A 22 7.098 -12.000 1.932 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.832 -9.588 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.881 -10.662 2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.427 -13.312 2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.689 -10.006 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.128 -14.832 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.395 -11.525 7.446 1.00 0.00 H new ATOM 0 HH TYR A 22 4.629 -13.644 8.019 1.00 0.00 H new ATOM 312 N ARG A 23 7.677 -9.292 0.380 1.00 0.00 N ATOM 313 CA ARG A 23 7.640 -8.611 -0.909 1.00 0.00 C ATOM 314 C ARG A 23 7.495 -9.614 -2.049 1.00 0.00 C ATOM 315 O ARG A 23 6.569 -9.524 -2.855 1.00 0.00 O ATOM 316 CB ARG A 23 8.908 -7.778 -1.106 1.00 0.00 C ATOM 317 CG ARG A 23 9.170 -7.402 -2.555 1.00 0.00 C ATOM 318 CD ARG A 23 8.021 -6.595 -3.137 1.00 0.00 C ATOM 319 NE ARG A 23 8.080 -6.532 -4.595 1.00 0.00 N ATOM 320 CZ ARG A 23 9.009 -5.858 -5.265 1.00 0.00 C ATOM 321 NH1 ARG A 23 9.952 -5.195 -4.610 1.00 0.00 N ATOM 322 NH2 ARG A 23 8.996 -5.848 -6.592 1.00 0.00 N ATOM 0 H ARG A 23 8.375 -8.929 1.029 1.00 0.00 H new ATOM 0 HA ARG A 23 6.774 -7.949 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.831 -6.868 -0.511 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.763 -8.337 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.092 -6.824 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.317 -8.306 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.074 -7.040 -2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.045 -5.584 -2.729 1.00 0.00 H new ATOM 0 HE ARG A 23 7.369 -7.033 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.965 -5.202 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.664 -4.678 -5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.272 -6.358 -7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.710 -5.330 -7.105 1.00 0.00 H new ATOM 336 N ASP A 24 8.417 -10.569 -2.111 1.00 0.00 N ATOM 337 CA ASP A 24 8.392 -11.589 -3.153 1.00 0.00 C ATOM 338 C ASP A 24 6.973 -12.104 -3.376 1.00 0.00 C ATOM 339 O ASP A 24 6.599 -12.460 -4.493 1.00 0.00 O ATOM 340 CB ASP A 24 9.316 -12.750 -2.781 1.00 0.00 C ATOM 341 CG ASP A 24 10.754 -12.500 -3.192 1.00 0.00 C ATOM 342 OD1 ASP A 24 11.009 -12.369 -4.407 1.00 0.00 O ATOM 343 OD2 ASP A 24 11.624 -12.435 -2.298 1.00 0.00 O ATOM 0 H ASP A 24 9.191 -10.658 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 24 8.744 -11.136 -4.080 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.272 -12.915 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.958 -13.662 -3.258 1.00 0.00 H new ATOM 348 N HIS A 25 6.187 -12.140 -2.304 1.00 0.00 N ATOM 349 CA HIS A 25 4.809 -12.612 -2.382 1.00 0.00 C ATOM 350 C HIS A 25 3.959 -11.666 -3.225 1.00 0.00 C ATOM 351 O HIS A 25 3.384 -12.068 -4.237 1.00 0.00 O ATOM 352 CB HIS A 25 4.212 -12.741 -0.981 1.00 0.00 C ATOM 353 CG HIS A 25 5.018 -13.609 -0.064 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.515 -14.747 0.531 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.300 -13.502 0.357 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.451 -15.301 1.280 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.545 -14.565 1.192 1.00 0.00 N ATOM 0 H HIS A 25 6.481 -11.848 -1.372 1.00 0.00 H new ATOM 0 HA HIS A 25 4.812 -13.592 -2.859 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.121 -11.748 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.204 -13.148 -1.061 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.567 -15.105 0.411 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.000 -12.725 0.087 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.341 -16.202 1.865 1.00 0.00 H new ATOM 366 N PHE A 26 3.883 -10.409 -2.801 1.00 0.00 N ATOM 367 CA PHE A 26 3.101 -9.407 -3.515 1.00 0.00 C ATOM 368 C PHE A 26 3.394 -9.454 -5.012 1.00 0.00 C ATOM 369 O PHE A 26 2.482 -9.395 -5.836 1.00 0.00 O ATOM 370 CB PHE A 26 3.402 -8.010 -2.970 1.00 0.00 C ATOM 371 CG PHE A 26 2.591 -7.652 -1.757 1.00 0.00 C ATOM 372 CD1 PHE A 26 2.971 -8.089 -0.499 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.447 -6.879 -1.877 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.227 -7.761 0.619 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.699 -6.548 -0.763 1.00 0.00 C ATOM 376 CZ PHE A 26 1.089 -6.990 0.486 1.00 0.00 C ATOM 0 H PHE A 26 4.354 -10.060 -1.966 1.00 0.00 H new ATOM 0 HA PHE A 26 2.045 -9.630 -3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.461 -7.946 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.214 -7.275 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.859 -8.693 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.137 -6.532 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.535 -8.107 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.190 -5.944 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.505 -6.733 1.357 1.00 0.00 H new ATOM 386 N ALA A 27 4.673 -9.562 -5.356 1.00 0.00 N ATOM 387 CA ALA A 27 5.087 -9.619 -6.752 1.00 0.00 C ATOM 388 C ALA A 27 4.381 -10.752 -7.488 1.00 0.00 C ATOM 389 O ALA A 27 4.143 -10.669 -8.693 1.00 0.00 O ATOM 390 CB ALA A 27 6.597 -9.784 -6.849 1.00 0.00 C ATOM 0 H ALA A 27 5.441 -9.612 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 27 4.804 -8.680 -7.228 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.892 -9.825 -7.898 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.087 -8.938 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.895 -10.707 -6.352 1.00 0.00 H new ATOM 396 N ALA A 28 4.048 -11.810 -6.756 1.00 0.00 N ATOM 397 CA ALA A 28 3.368 -12.959 -7.340 1.00 0.00 C ATOM 398 C ALA A 28 1.868 -12.710 -7.454 1.00 0.00 C ATOM 399 O ALA A 28 1.237 -13.093 -8.438 1.00 0.00 O ATOM 400 CB ALA A 28 3.636 -14.208 -6.513 1.00 0.00 C ATOM 0 H ALA A 28 4.238 -11.895 -5.758 1.00 0.00 H new ATOM 0 HA ALA A 28 3.762 -13.110 -8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.122 -15.058 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.708 -14.404 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.271 -14.057 -5.497 1.00 0.00 H new ATOM 406 N GLY A 29 1.301 -12.065 -6.438 1.00 0.00 N ATOM 407 CA GLY A 29 -0.121 -11.776 -6.444 1.00 0.00 C ATOM 408 C GLY A 29 -0.491 -10.701 -7.447 1.00 0.00 C ATOM 409 O GLY A 29 -1.658 -10.335 -7.574 1.00 0.00 O ATOM 0 H GLY A 29 1.801 -11.738 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.673 -12.688 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.428 -11.460 -5.447 1.00 0.00 H new ATOM 413 N GLY A 30 0.508 -10.192 -8.162 1.00 0.00 N ATOM 414 CA GLY A 30 0.262 -9.157 -9.149 1.00 0.00 C ATOM 415 C GLY A 30 0.461 -7.763 -8.588 1.00 0.00 C ATOM 416 O GLY A 30 -0.024 -6.783 -9.155 1.00 0.00 O ATOM 0 H GLY A 30 1.483 -10.478 -8.075 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.930 -9.303 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.757 -9.252 -9.525 1.00 0.00 H new ATOM 420 N TYR A 31 1.173 -7.672 -7.470 1.00 0.00 N ATOM 421 CA TYR A 31 1.430 -6.388 -6.829 1.00 0.00 C ATOM 422 C TYR A 31 2.929 -6.118 -6.734 1.00 0.00 C ATOM 423 O TYR A 31 3.612 -6.648 -5.858 1.00 0.00 O ATOM 424 CB TYR A 31 0.805 -6.356 -5.434 1.00 0.00 C ATOM 425 CG TYR A 31 -0.682 -6.629 -5.430 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.598 -5.597 -5.599 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.172 -7.917 -5.258 1.00 0.00 C ATOM 428 CE1 TYR A 31 -2.957 -5.841 -5.596 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.530 -8.171 -5.255 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.419 -7.130 -5.424 1.00 0.00 C ATOM 431 OH TYR A 31 -4.772 -7.378 -5.420 1.00 0.00 O ATOM 0 H TYR A 31 1.583 -8.473 -6.989 1.00 0.00 H new ATOM 0 HA TYR A 31 0.976 -5.608 -7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.303 -7.094 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.988 -5.379 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.240 -4.587 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.479 -8.735 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.655 -5.027 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.894 -9.179 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.935 -8.300 -5.132 1.00 0.00 H new ATOM 441 N SER A 32 3.433 -5.289 -7.642 1.00 0.00 N ATOM 442 CA SER A 32 4.851 -4.949 -7.663 1.00 0.00 C ATOM 443 C SER A 32 5.064 -3.483 -7.297 1.00 0.00 C ATOM 444 O SER A 32 6.186 -3.057 -7.024 1.00 0.00 O ATOM 445 CB SER A 32 5.444 -5.233 -9.044 1.00 0.00 C ATOM 446 OG SER A 32 6.860 -5.180 -9.012 1.00 0.00 O ATOM 0 H SER A 32 2.881 -4.840 -8.373 1.00 0.00 H new ATOM 0 HA SER A 32 5.359 -5.567 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.121 -6.216 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.066 -4.505 -9.762 1.00 0.00 H new ATOM 0 HG SER A 32 7.148 -4.538 -8.330 1.00 0.00 H new ATOM 452 N SER A 33 3.979 -2.716 -7.295 1.00 0.00 N ATOM 453 CA SER A 33 4.046 -1.297 -6.967 1.00 0.00 C ATOM 454 C SER A 33 3.198 -0.983 -5.738 1.00 0.00 C ATOM 455 O SER A 33 2.395 -1.805 -5.298 1.00 0.00 O ATOM 456 CB SER A 33 3.575 -0.455 -8.154 1.00 0.00 C ATOM 457 OG SER A 33 4.228 -0.847 -9.349 1.00 0.00 O ATOM 0 H SER A 33 3.042 -3.054 -7.517 1.00 0.00 H new ATOM 0 HA SER A 33 5.084 -1.049 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.497 -0.561 -8.274 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.772 0.599 -7.957 1.00 0.00 H new ATOM 0 HG SER A 33 3.908 -0.295 -10.093 1.00 0.00 H new ATOM 463 N LEU A 34 3.385 0.212 -5.189 1.00 0.00 N ATOM 464 CA LEU A 34 2.638 0.637 -4.010 1.00 0.00 C ATOM 465 C LEU A 34 1.229 1.080 -4.389 1.00 0.00 C ATOM 466 O LEU A 34 0.259 0.752 -3.706 1.00 0.00 O ATOM 467 CB LEU A 34 3.371 1.778 -3.301 1.00 0.00 C ATOM 468 CG LEU A 34 4.411 1.338 -2.271 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.800 1.294 -0.879 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.988 -0.020 -2.644 1.00 0.00 C ATOM 0 H LEU A 34 4.047 0.904 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 34 2.562 -0.213 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.864 2.395 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.634 2.409 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 34 5.221 2.068 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.556 0.979 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.435 2.285 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.971 0.586 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.727 -0.318 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.187 -0.759 -2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.464 0.043 -3.623 1.00 0.00 H new ATOM 482 N GLY A 35 1.124 1.828 -5.483 1.00 0.00 N ATOM 483 CA GLY A 35 -0.171 2.304 -5.935 1.00 0.00 C ATOM 484 C GLY A 35 -1.219 1.209 -5.950 1.00 0.00 C ATOM 485 O GLY A 35 -2.351 1.418 -5.517 1.00 0.00 O ATOM 0 H GLY A 35 1.912 2.113 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.504 3.113 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.072 2.721 -6.937 1.00 0.00 H new ATOM 489 N MET A 36 -0.841 0.038 -6.453 1.00 0.00 N ATOM 490 CA MET A 36 -1.757 -1.094 -6.524 1.00 0.00 C ATOM 491 C MET A 36 -1.906 -1.759 -5.159 1.00 0.00 C ATOM 492 O MET A 36 -2.914 -2.410 -4.881 1.00 0.00 O ATOM 493 CB MET A 36 -1.262 -2.115 -7.550 1.00 0.00 C ATOM 494 CG MET A 36 0.149 -2.612 -7.281 1.00 0.00 C ATOM 495 SD MET A 36 0.904 -3.376 -8.729 1.00 0.00 S ATOM 496 CE MET A 36 0.547 -2.149 -9.984 1.00 0.00 C ATOM 0 H MET A 36 0.093 -0.151 -6.817 1.00 0.00 H new ATOM 0 HA MET A 36 -2.733 -0.721 -6.835 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.942 -2.966 -7.560 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.297 -1.667 -8.543 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.767 -1.777 -6.951 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.126 -3.334 -6.464 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.249 -2.259 -10.810 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.470 -2.289 -10.351 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.644 -1.151 -9.556 1.00 0.00 H new ATOM 506 N VAL A 37 -0.897 -1.592 -4.310 1.00 0.00 N ATOM 507 CA VAL A 37 -0.916 -2.175 -2.974 1.00 0.00 C ATOM 508 C VAL A 37 -1.826 -1.383 -2.042 1.00 0.00 C ATOM 509 O VAL A 37 -2.418 -1.938 -1.117 1.00 0.00 O ATOM 510 CB VAL A 37 0.498 -2.234 -2.367 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.424 -2.357 -0.853 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.287 -3.388 -2.966 1.00 0.00 C ATOM 0 H VAL A 37 -0.055 -1.057 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.301 -3.190 -3.077 1.00 0.00 H new ATOM 0 HB VAL A 37 1.017 -1.306 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.433 -2.397 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.101 -1.494 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.113 -3.268 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.284 -3.415 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.773 -4.327 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.370 -3.251 -4.044 1.00 0.00 H new ATOM 522 N LEU A 38 -1.932 -0.083 -2.292 1.00 0.00 N ATOM 523 CA LEU A 38 -2.770 0.788 -1.475 1.00 0.00 C ATOM 524 C LEU A 38 -4.245 0.435 -1.642 1.00 0.00 C ATOM 525 O LEU A 38 -5.072 0.763 -0.791 1.00 0.00 O ATOM 526 CB LEU A 38 -2.538 2.253 -1.851 1.00 0.00 C ATOM 527 CG LEU A 38 -1.448 2.962 -1.046 1.00 0.00 C ATOM 528 CD1 LEU A 38 -0.305 2.008 -0.737 1.00 0.00 C ATOM 529 CD2 LEU A 38 -0.938 4.181 -1.800 1.00 0.00 C ATOM 0 H LEU A 38 -1.448 0.392 -3.054 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.495 0.641 -0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.279 2.304 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.474 2.797 -1.725 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.879 3.296 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.461 2.531 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.681 1.166 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.126 1.643 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.163 4.674 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.524 3.869 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.761 4.875 -1.969 1.00 0.00 H new ATOM 541 N ARG A 39 -4.566 -0.234 -2.744 1.00 0.00 N ATOM 542 CA ARG A 39 -5.941 -0.630 -3.023 1.00 0.00 C ATOM 543 C ARG A 39 -6.171 -2.093 -2.656 1.00 0.00 C ATOM 544 O ARG A 39 -7.161 -2.698 -3.066 1.00 0.00 O ATOM 545 CB ARG A 39 -6.268 -0.407 -4.501 1.00 0.00 C ATOM 546 CG ARG A 39 -5.579 -1.391 -5.433 1.00 0.00 C ATOM 547 CD ARG A 39 -6.245 -1.423 -6.800 1.00 0.00 C ATOM 548 NE ARG A 39 -7.463 -2.227 -6.796 1.00 0.00 N ATOM 549 CZ ARG A 39 -7.474 -3.546 -6.955 1.00 0.00 C ATOM 550 NH1 ARG A 39 -6.336 -4.205 -7.128 1.00 0.00 N ATOM 551 NH2 ARG A 39 -8.623 -4.208 -6.940 1.00 0.00 N ATOM 0 H ARG A 39 -3.893 -0.513 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.601 -0.012 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.346 -0.481 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.980 0.607 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.530 -1.115 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.601 -2.388 -4.993 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.483 -0.406 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.547 -1.826 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.355 -1.750 -6.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.450 -3.699 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.347 -5.218 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.500 -3.705 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.630 -5.221 -7.062 1.00 0.00 H new ATOM 565 N MET A 40 -5.249 -2.655 -1.881 1.00 0.00 N ATOM 566 CA MET A 40 -5.352 -4.047 -1.458 1.00 0.00 C ATOM 567 C MET A 40 -5.969 -4.148 -0.066 1.00 0.00 C ATOM 568 O MET A 40 -6.157 -3.140 0.614 1.00 0.00 O ATOM 569 CB MET A 40 -3.973 -4.708 -1.466 1.00 0.00 C ATOM 570 CG MET A 40 -3.582 -5.283 -2.817 1.00 0.00 C ATOM 571 SD MET A 40 -2.037 -6.211 -2.757 1.00 0.00 S ATOM 572 CE MET A 40 -2.317 -7.242 -1.320 1.00 0.00 C ATOM 0 H MET A 40 -4.423 -2.168 -1.533 1.00 0.00 H new ATOM 0 HA MET A 40 -6.001 -4.568 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.226 -3.974 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.957 -5.505 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.379 -5.935 -3.174 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.486 -4.472 -3.539 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.708 -8.143 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.044 -6.692 -0.419 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.370 -7.520 -1.271 1.00 0.00 H new ATOM 582 N ASN A 41 -6.283 -5.371 0.350 1.00 0.00 N ATOM 583 CA ASN A 41 -6.880 -5.602 1.660 1.00 0.00 C ATOM 584 C ASN A 41 -6.628 -7.033 2.128 1.00 0.00 C ATOM 585 O ASN A 41 -6.240 -7.895 1.339 1.00 0.00 O ATOM 586 CB ASN A 41 -8.384 -5.327 1.614 1.00 0.00 C ATOM 587 CG ASN A 41 -8.700 -3.911 1.173 1.00 0.00 C ATOM 588 OD1 ASN A 41 -8.572 -2.964 1.950 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.114 -3.759 -0.079 1.00 0.00 N ATOM 0 H ASN A 41 -6.134 -6.216 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.414 -4.918 2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.859 -6.032 0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.813 -5.501 2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.340 -2.829 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.206 -4.572 -0.688 1.00 0.00 H new ATOM 596 N ALA A 42 -6.851 -7.277 3.415 1.00 0.00 N ATOM 597 CA ALA A 42 -6.650 -8.602 3.987 1.00 0.00 C ATOM 598 C ALA A 42 -6.980 -9.693 2.974 1.00 0.00 C ATOM 599 O ALA A 42 -6.235 -10.661 2.827 1.00 0.00 O ATOM 600 CB ALA A 42 -7.497 -8.769 5.240 1.00 0.00 C ATOM 0 H ALA A 42 -7.171 -6.574 4.081 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.598 -8.699 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.337 -9.763 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.211 -8.017 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.550 -8.647 4.986 1.00 0.00 H new ATOM 606 N GLN A 43 -8.101 -9.529 2.279 1.00 0.00 N ATOM 607 CA GLN A 43 -8.529 -10.502 1.280 1.00 0.00 C ATOM 608 C GLN A 43 -7.411 -10.787 0.283 1.00 0.00 C ATOM 609 O GLN A 43 -7.059 -11.942 0.044 1.00 0.00 O ATOM 610 CB GLN A 43 -9.769 -9.994 0.542 1.00 0.00 C ATOM 611 CG GLN A 43 -10.608 -11.103 -0.073 1.00 0.00 C ATOM 612 CD GLN A 43 -11.208 -12.027 0.969 1.00 0.00 C ATOM 613 OE1 GLN A 43 -10.522 -12.885 1.524 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.497 -11.855 1.240 1.00 0.00 N ATOM 0 H GLN A 43 -8.729 -8.733 2.389 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.776 -11.430 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.387 -9.425 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.457 -9.307 -0.245 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.409 -10.661 -0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.990 -11.685 -0.756 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -13.028 -11.131 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.956 -12.447 1.932 1.00 0.00 H new ATOM 623 N ASP A 44 -6.856 -9.727 -0.295 1.00 0.00 N ATOM 624 CA ASP A 44 -5.777 -9.864 -1.266 1.00 0.00 C ATOM 625 C ASP A 44 -4.478 -10.278 -0.580 1.00 0.00 C ATOM 626 O ASP A 44 -3.832 -11.245 -0.984 1.00 0.00 O ATOM 627 CB ASP A 44 -5.572 -8.549 -2.021 1.00 0.00 C ATOM 628 CG ASP A 44 -6.668 -8.288 -3.036 1.00 0.00 C ATOM 629 OD1 ASP A 44 -6.821 -9.107 -3.967 1.00 0.00 O ATOM 630 OD2 ASP A 44 -7.372 -7.267 -2.899 1.00 0.00 O ATOM 0 H ASP A 44 -7.136 -8.764 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.057 -10.642 -1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.537 -7.725 -1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.608 -8.571 -2.529 1.00 0.00 H new ATOM 635 N VAL A 45 -4.101 -9.539 0.458 1.00 0.00 N ATOM 636 CA VAL A 45 -2.880 -9.829 1.200 1.00 0.00 C ATOM 637 C VAL A 45 -2.797 -11.307 1.565 1.00 0.00 C ATOM 638 O VAL A 45 -1.822 -11.984 1.237 1.00 0.00 O ATOM 639 CB VAL A 45 -2.792 -8.988 2.487 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.554 -9.364 3.287 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.791 -7.504 2.154 1.00 0.00 C ATOM 0 H VAL A 45 -4.624 -8.735 0.804 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.045 -9.571 0.549 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.669 -9.199 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.509 -8.759 4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.602 -10.419 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.663 -9.183 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.728 -6.924 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.934 -7.274 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.710 -7.249 1.627 1.00 0.00 H new ATOM 651 N ARG A 46 -3.826 -11.802 2.244 1.00 0.00 N ATOM 652 CA ARG A 46 -3.869 -13.200 2.655 1.00 0.00 C ATOM 653 C ARG A 46 -3.408 -14.113 1.523 1.00 0.00 C ATOM 654 O ARG A 46 -2.591 -15.011 1.730 1.00 0.00 O ATOM 655 CB ARG A 46 -5.286 -13.583 3.088 1.00 0.00 C ATOM 656 CG ARG A 46 -5.324 -14.651 4.169 1.00 0.00 C ATOM 657 CD ARG A 46 -4.887 -16.004 3.631 1.00 0.00 C ATOM 658 NE ARG A 46 -5.752 -16.470 2.550 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.998 -16.891 2.737 1.00 0.00 C ATOM 660 NH1 ARG A 46 -7.522 -16.904 3.955 1.00 0.00 N ATOM 661 NH2 ARG A 46 -7.723 -17.299 1.703 1.00 0.00 N ATOM 0 H ARG A 46 -4.641 -11.256 2.521 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.192 -13.326 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.799 -12.692 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.839 -13.938 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.674 -14.359 4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.334 -14.727 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.861 -15.936 3.270 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.893 -16.735 4.440 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.379 -16.472 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.968 -16.590 4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.479 -17.228 4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.324 -17.289 0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.680 -17.622 1.847 1.00 0.00 H new ATOM 675 N ALA A 47 -3.937 -13.878 0.326 1.00 0.00 N ATOM 676 CA ALA A 47 -3.578 -14.678 -0.838 1.00 0.00 C ATOM 677 C ALA A 47 -2.066 -14.725 -1.028 1.00 0.00 C ATOM 678 O ALA A 47 -1.517 -15.733 -1.471 1.00 0.00 O ATOM 679 CB ALA A 47 -4.252 -14.126 -2.086 1.00 0.00 C ATOM 0 H ALA A 47 -4.615 -13.140 0.138 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.928 -15.696 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.975 -14.733 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.334 -14.152 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.930 -13.097 -2.248 1.00 0.00 H new ATOM 685 N LEU A 48 -1.398 -13.627 -0.690 1.00 0.00 N ATOM 686 CA LEU A 48 0.052 -13.542 -0.824 1.00 0.00 C ATOM 687 C LEU A 48 0.742 -14.565 0.071 1.00 0.00 C ATOM 688 O LEU A 48 1.848 -15.017 -0.222 1.00 0.00 O ATOM 689 CB LEU A 48 0.535 -12.132 -0.475 1.00 0.00 C ATOM 690 CG LEU A 48 -0.018 -11.019 -1.365 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.777 -9.737 -1.174 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.001 -11.447 -2.825 1.00 0.00 C ATOM 0 H LEU A 48 -1.837 -12.784 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 48 0.310 -13.761 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.265 -11.918 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.623 -12.113 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.051 -10.828 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.368 -8.956 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.713 -9.421 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.820 -9.913 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.396 -10.643 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.025 -11.666 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.613 -12.339 -2.951 1.00 0.00 H new ATOM 704 N GLY A 49 0.080 -14.927 1.166 1.00 0.00 N ATOM 705 CA GLY A 49 0.644 -15.894 2.089 1.00 0.00 C ATOM 706 C GLY A 49 0.745 -15.357 3.503 1.00 0.00 C ATOM 707 O GLY A 49 0.680 -16.118 4.469 1.00 0.00 O ATOM 0 H GLY A 49 -0.837 -14.567 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.028 -16.794 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.636 -16.186 1.743 1.00 0.00 H new ATOM 711 N ILE A 50 0.906 -14.044 3.625 1.00 0.00 N ATOM 712 CA ILE A 50 1.017 -13.406 4.931 1.00 0.00 C ATOM 713 C ILE A 50 -0.303 -13.479 5.692 1.00 0.00 C ATOM 714 O ILE A 50 -1.217 -12.690 5.449 1.00 0.00 O ATOM 715 CB ILE A 50 1.443 -11.932 4.804 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.515 -11.780 3.723 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.952 -11.410 6.139 1.00 0.00 C ATOM 718 CD1 ILE A 50 1.952 -11.483 2.350 1.00 0.00 C ATOM 0 H ILE A 50 0.963 -13.401 2.835 1.00 0.00 H new ATOM 0 HA ILE A 50 1.783 -13.950 5.484 1.00 0.00 H new ATOM 0 HB ILE A 50 0.574 -11.342 4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.196 -10.978 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.103 -12.696 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.249 -10.367 6.032 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.161 -11.488 6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.811 -12.001 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.769 -11.388 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.293 -12.296 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.388 -10.551 2.382 1.00 0.00 H new ATOM 730 N THR A 51 -0.396 -14.430 6.615 1.00 0.00 N ATOM 731 CA THR A 51 -1.603 -14.606 7.413 1.00 0.00 C ATOM 732 C THR A 51 -1.326 -14.361 8.892 1.00 0.00 C ATOM 733 O THR A 51 -2.217 -13.967 9.643 1.00 0.00 O ATOM 734 CB THR A 51 -2.190 -16.019 7.239 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.292 -16.993 7.783 1.00 0.00 O ATOM 736 CG2 THR A 51 -2.447 -16.322 5.771 1.00 0.00 C ATOM 0 H THR A 51 0.351 -15.091 6.829 1.00 0.00 H new ATOM 0 HA THR A 51 -2.327 -13.873 7.056 1.00 0.00 H new ATOM 0 HB THR A 51 -3.139 -16.062 7.773 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.673 -17.889 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.861 -17.325 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.154 -15.597 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.510 -16.261 5.217 1.00 0.00 H new ATOM 744 N LEU A 52 -0.084 -14.596 9.303 1.00 0.00 N ATOM 745 CA LEU A 52 0.311 -14.401 10.693 1.00 0.00 C ATOM 746 C LEU A 52 -0.123 -13.027 11.194 1.00 0.00 C ATOM 747 O LEU A 52 0.389 -12.002 10.747 1.00 0.00 O ATOM 748 CB LEU A 52 1.826 -14.555 10.840 1.00 0.00 C ATOM 749 CG LEU A 52 2.304 -15.971 11.161 1.00 0.00 C ATOM 750 CD1 LEU A 52 3.683 -16.218 10.568 1.00 0.00 C ATOM 751 CD2 LEU A 52 2.321 -16.200 12.665 1.00 0.00 C ATOM 0 H LEU A 52 0.666 -14.922 8.693 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.185 -15.161 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.301 -14.229 9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.169 -13.885 11.628 1.00 0.00 H new ATOM 0 HG LEU A 52 1.606 -16.678 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.006 -17.231 10.807 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.641 -16.097 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.392 -15.503 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.664 -17.213 12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.996 -15.484 13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.316 -16.067 13.065 1.00 0.00 H new ATOM 763 N MET A 53 -1.072 -13.016 12.125 1.00 0.00 N ATOM 764 CA MET A 53 -1.575 -11.768 12.688 1.00 0.00 C ATOM 765 C MET A 53 -0.431 -10.801 12.974 1.00 0.00 C ATOM 766 O MET A 53 -0.519 -9.612 12.669 1.00 0.00 O ATOM 767 CB MET A 53 -2.360 -12.043 13.972 1.00 0.00 C ATOM 768 CG MET A 53 -3.767 -12.562 13.724 1.00 0.00 C ATOM 769 SD MET A 53 -4.838 -11.330 12.960 1.00 0.00 S ATOM 770 CE MET A 53 -4.527 -11.641 11.224 1.00 0.00 C ATOM 0 H MET A 53 -1.508 -13.856 12.505 1.00 0.00 H new ATOM 0 HA MET A 53 -2.240 -11.310 11.956 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.814 -12.770 14.573 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.418 -11.125 14.557 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.717 -13.442 13.083 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.204 -12.881 14.670 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.995 -10.793 10.792 1.00 0.00 H new ATOM 0 HE2 MET A 53 -3.921 -12.541 11.118 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.475 -11.778 10.703 1.00 0.00 H new ATOM 780 N GLY A 54 0.643 -11.319 13.563 1.00 0.00 N ATOM 781 CA GLY A 54 1.788 -10.486 13.881 1.00 0.00 C ATOM 782 C GLY A 54 2.283 -9.699 12.684 1.00 0.00 C ATOM 783 O GLY A 54 2.733 -8.561 12.823 1.00 0.00 O ATOM 0 H GLY A 54 0.740 -12.300 13.825 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.520 -9.795 14.680 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.596 -11.113 14.259 1.00 0.00 H new ATOM 787 N HIS A 55 2.203 -10.306 11.504 1.00 0.00 N ATOM 788 CA HIS A 55 2.647 -9.654 10.278 1.00 0.00 C ATOM 789 C HIS A 55 1.476 -8.993 9.558 1.00 0.00 C ATOM 790 O HIS A 55 1.470 -7.780 9.348 1.00 0.00 O ATOM 791 CB HIS A 55 3.323 -10.667 9.353 1.00 0.00 C ATOM 792 CG HIS A 55 4.380 -11.484 10.029 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.864 -12.667 9.511 1.00 0.00 N ATOM 794 CD2 HIS A 55 5.048 -11.282 11.189 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.783 -13.158 10.323 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.914 -12.336 11.349 1.00 0.00 N ATOM 0 H HIS A 55 1.835 -11.248 11.371 1.00 0.00 H new ATOM 0 HA HIS A 55 3.367 -8.881 10.548 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.565 -11.335 8.944 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.768 -10.137 8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.923 -10.447 11.863 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.333 -14.075 10.174 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.554 -12.463 12.133 1.00 0.00 H new ATOM 805 N GLN A 56 0.487 -9.798 9.183 1.00 0.00 N ATOM 806 CA GLN A 56 -0.689 -9.290 8.486 1.00 0.00 C ATOM 807 C GLN A 56 -1.084 -7.916 9.016 1.00 0.00 C ATOM 808 O GLN A 56 -1.470 -7.031 8.251 1.00 0.00 O ATOM 809 CB GLN A 56 -1.858 -10.264 8.638 1.00 0.00 C ATOM 810 CG GLN A 56 -1.950 -11.285 7.515 1.00 0.00 C ATOM 811 CD GLN A 56 -3.357 -11.815 7.321 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.170 -11.801 8.246 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.652 -12.285 6.115 1.00 0.00 N ATOM 0 H GLN A 56 0.477 -10.804 9.350 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.441 -9.194 7.429 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.761 -10.789 9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.789 -9.698 8.680 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.606 -10.830 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.279 -12.117 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.947 -12.277 5.378 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.584 -12.654 5.925 1.00 0.00 H new ATOM 822 N LYS A 57 -0.986 -7.743 10.330 1.00 0.00 N ATOM 823 CA LYS A 57 -1.332 -6.476 10.963 1.00 0.00 C ATOM 824 C LYS A 57 -0.418 -5.356 10.476 1.00 0.00 C ATOM 825 O LYS A 57 -0.876 -4.252 10.180 1.00 0.00 O ATOM 826 CB LYS A 57 -1.236 -6.601 12.485 1.00 0.00 C ATOM 827 CG LYS A 57 -2.255 -7.555 13.083 1.00 0.00 C ATOM 828 CD LYS A 57 -3.618 -6.899 13.223 1.00 0.00 C ATOM 829 CE LYS A 57 -4.470 -7.602 14.269 1.00 0.00 C ATOM 830 NZ LYS A 57 -4.144 -7.146 15.649 1.00 0.00 N ATOM 0 H LYS A 57 -0.670 -8.465 10.977 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.357 -6.229 10.688 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.235 -6.939 12.751 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.368 -5.615 12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.339 -8.440 12.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.910 -7.891 14.061 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.492 -5.852 13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.132 -6.916 12.262 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.524 -7.415 14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.318 -8.679 14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.746 -7.649 16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.145 -7.348 15.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.313 -6.123 15.726 1.00 0.00 H new ATOM 844 N LYS A 58 0.875 -5.648 10.392 1.00 0.00 N ATOM 845 CA LYS A 58 1.854 -4.667 9.937 1.00 0.00 C ATOM 846 C LYS A 58 1.536 -4.198 8.521 1.00 0.00 C ATOM 847 O LYS A 58 1.171 -3.042 8.307 1.00 0.00 O ATOM 848 CB LYS A 58 3.263 -5.262 9.986 1.00 0.00 C ATOM 849 CG LYS A 58 4.023 -4.923 11.256 1.00 0.00 C ATOM 850 CD LYS A 58 3.386 -5.565 12.476 1.00 0.00 C ATOM 851 CE LYS A 58 2.364 -4.642 13.122 1.00 0.00 C ATOM 852 NZ LYS A 58 1.889 -5.171 14.431 1.00 0.00 N ATOM 0 H LYS A 58 1.270 -6.557 10.633 1.00 0.00 H new ATOM 0 HA LYS A 58 1.807 -3.806 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.194 -6.346 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.830 -4.903 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.055 -5.260 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.051 -3.841 11.386 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.903 -6.499 12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.160 -5.817 13.201 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.806 -3.656 13.267 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.514 -4.515 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.194 -4.514 14.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.445 -6.101 14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.696 -5.268 15.080 1.00 0.00 H new ATOM 866 N ILE A 59 1.677 -5.103 7.558 1.00 0.00 N ATOM 867 CA ILE A 59 1.402 -4.782 6.163 1.00 0.00 C ATOM 868 C ILE A 59 0.093 -4.013 6.023 1.00 0.00 C ATOM 869 O ILE A 59 0.078 -2.866 5.579 1.00 0.00 O ATOM 870 CB ILE A 59 1.334 -6.053 5.296 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.643 -6.838 5.399 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.041 -5.690 3.847 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.564 -8.226 4.803 1.00 0.00 C ATOM 0 H ILE A 59 1.980 -6.064 7.718 1.00 0.00 H new ATOM 0 HA ILE A 59 2.225 -4.158 5.815 1.00 0.00 H new ATOM 0 HB ILE A 59 0.524 -6.683 5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.432 -6.280 4.896 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.928 -6.918 6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.996 -6.598 3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.086 -5.169 3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.831 -5.043 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.527 -8.724 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.797 -8.802 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.310 -8.154 3.745 1.00 0.00 H new ATOM 885 N LEU A 60 -1.006 -4.654 6.407 1.00 0.00 N ATOM 886 CA LEU A 60 -2.323 -4.030 6.326 1.00 0.00 C ATOM 887 C LEU A 60 -2.338 -2.695 7.062 1.00 0.00 C ATOM 888 O LEU A 60 -2.656 -1.658 6.483 1.00 0.00 O ATOM 889 CB LEU A 60 -3.387 -4.961 6.911 1.00 0.00 C ATOM 890 CG LEU A 60 -3.953 -5.992 5.934 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.780 -7.032 6.673 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.789 -5.307 4.863 1.00 0.00 C ATOM 0 H LEU A 60 -1.012 -5.604 6.777 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.548 -3.847 5.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.958 -5.488 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.209 -4.355 7.292 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.119 -6.500 5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.174 -7.757 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.153 -7.544 7.402 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.607 -6.541 7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.184 -6.055 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.615 -4.773 5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.167 -4.601 4.312 1.00 0.00 H new ATOM 904 N GLY A 61 -1.991 -2.729 8.346 1.00 0.00 N ATOM 905 CA GLY A 61 -1.972 -1.516 9.141 1.00 0.00 C ATOM 906 C GLY A 61 -1.189 -0.400 8.478 1.00 0.00 C ATOM 907 O GLY A 61 -1.547 0.772 8.594 1.00 0.00 O ATOM 0 H GLY A 61 -1.723 -3.575 8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.995 -1.184 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.536 -1.732 10.117 1.00 0.00 H new ATOM 911 N SER A 62 -0.117 -0.764 7.782 1.00 0.00 N ATOM 912 CA SER A 62 0.722 0.216 7.103 1.00 0.00 C ATOM 913 C SER A 62 0.083 0.662 5.791 1.00 0.00 C ATOM 914 O SER A 62 0.261 1.801 5.357 1.00 0.00 O ATOM 915 CB SER A 62 2.110 -0.369 6.833 1.00 0.00 C ATOM 916 OG SER A 62 3.063 0.658 6.619 1.00 0.00 O ATOM 0 H SER A 62 0.191 -1.730 7.674 1.00 0.00 H new ATOM 0 HA SER A 62 0.821 1.085 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.419 -0.986 7.677 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.070 -1.020 5.960 1.00 0.00 H new ATOM 0 HG SER A 62 2.927 1.050 5.731 1.00 0.00 H new ATOM 922 N ILE A 63 -0.662 -0.243 5.166 1.00 0.00 N ATOM 923 CA ILE A 63 -1.330 0.057 3.905 1.00 0.00 C ATOM 924 C ILE A 63 -2.559 0.931 4.128 1.00 0.00 C ATOM 925 O ILE A 63 -2.660 2.028 3.580 1.00 0.00 O ATOM 926 CB ILE A 63 -1.754 -1.229 3.173 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.523 -1.990 2.677 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.681 -0.897 2.013 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.845 -3.347 2.093 1.00 0.00 C ATOM 0 H ILE A 63 -0.818 -1.190 5.512 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.611 0.596 3.288 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.294 -1.867 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.015 -1.390 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.174 -2.116 3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.972 -1.817 1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.571 -0.394 2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.165 -0.242 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.075 -3.828 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.325 -3.965 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.517 -3.227 1.243 1.00 0.00 H new ATOM 941 N GLN A 64 -3.491 0.437 4.938 1.00 0.00 N ATOM 942 CA GLN A 64 -4.713 1.174 5.234 1.00 0.00 C ATOM 943 C GLN A 64 -4.423 2.661 5.412 1.00 0.00 C ATOM 944 O GLN A 64 -5.196 3.513 4.971 1.00 0.00 O ATOM 945 CB GLN A 64 -5.376 0.618 6.495 1.00 0.00 C ATOM 946 CG GLN A 64 -4.937 1.316 7.772 1.00 0.00 C ATOM 947 CD GLN A 64 -5.666 2.625 8.002 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.740 2.857 7.446 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.085 3.490 8.825 1.00 0.00 N ATOM 0 H GLN A 64 -3.422 -0.470 5.400 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.393 1.053 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.458 0.707 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.150 -0.445 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.110 0.654 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.864 1.505 7.728 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.195 3.257 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.529 4.388 9.018 1.00 0.00 H new ATOM 958 N THR A 65 -3.304 2.967 6.061 1.00 0.00 N ATOM 959 CA THR A 65 -2.912 4.351 6.298 1.00 0.00 C ATOM 960 C THR A 65 -2.170 4.926 5.097 1.00 0.00 C ATOM 961 O THR A 65 -2.411 6.063 4.693 1.00 0.00 O ATOM 962 CB THR A 65 -2.020 4.476 7.547 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.692 5.850 7.780 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.743 3.665 7.383 1.00 0.00 C ATOM 0 H THR A 65 -2.653 2.275 6.432 1.00 0.00 H new ATOM 0 HA THR A 65 -3.830 4.916 6.458 1.00 0.00 H new ATOM 0 HB THR A 65 -2.573 4.086 8.401 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.126 5.921 8.577 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.129 3.769 8.277 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.995 2.615 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.189 4.030 6.518 1.00 0.00 H new ATOM 972 N MET A 66 -1.266 4.133 4.531 1.00 0.00 N ATOM 973 CA MET A 66 -0.489 4.564 3.374 1.00 0.00 C ATOM 974 C MET A 66 -1.406 5.023 2.245 1.00 0.00 C ATOM 975 O MET A 66 -1.099 5.980 1.534 1.00 0.00 O ATOM 976 CB MET A 66 0.411 3.428 2.886 1.00 0.00 C ATOM 977 CG MET A 66 1.789 3.426 3.528 1.00 0.00 C ATOM 978 SD MET A 66 2.487 1.769 3.669 1.00 0.00 S ATOM 979 CE MET A 66 2.422 1.228 1.963 1.00 0.00 C ATOM 0 H MET A 66 -1.053 3.189 4.854 1.00 0.00 H new ATOM 0 HA MET A 66 0.133 5.406 3.678 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.077 2.475 3.090 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.523 3.503 1.804 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.461 4.050 2.939 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.724 3.874 4.519 1.00 0.00 H new ATOM 0 HE1 MET A 66 1.875 0.287 1.900 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.916 1.983 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.435 1.084 1.588 1.00 0.00 H new