USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 861 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 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot -168:sc= 0.00343 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=-1.1) USER MOD Set 3.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= -0.0791 USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= -0.389 (180deg=-1.97!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 16 CYS SG : rot -20:sc= -3.12 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 25 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.33) USER MOD Single : A 29 GLN : amide:sc= -0.0458 K(o=-0.046,f=-1.3!) USER MOD Single : A 30 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.0092) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -100:sc= 0.371 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 22:sc= -4.33! USER MOD Single : A 47 ASN : amide:sc= -6.79! C(o=-6.8!,f=-7.5!) USER MOD Single : A 57 GLN : amide:sc= -0.383 K(o=-0.38,f=-4.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 62 ASN : amide:sc= -0.565 X(o=-0.56,f=-0.07) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -1.88! C(o=-1.9!,f=-2.5!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -154:sc= 0.868 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 77 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-6.9!) USER MOD Single : A 80 CYS SG : rot -125:sc= -1.28 USER MOD Single : A 82 GLN : amide:sc= -0.0965 K(o=-0.096,f=-1.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 89 MET CE :methyl -170:sc= -4.17! (180deg=-4.87!) USER MOD Single : A 98 LYS NZ :NH3+ 134:sc=-0.00109 (180deg=-0.366) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 81:sc= 0.271 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 105 GLN : amide:sc= -1.01 K(o=-1,f=-4!) USER MOD Single : A 110 CYS SG : rot -52:sc= -2.08 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.636 -8.988 1.577 1.00 0.00 N ATOM 67 CA ILE A 8 -11.894 -7.867 1.012 1.00 0.00 C ATOM 68 C ILE A 8 -10.391 -8.111 1.085 1.00 0.00 C ATOM 69 O ILE A 8 -9.626 -7.596 0.269 1.00 0.00 O ATOM 70 CB ILE A 8 -12.226 -6.550 1.737 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.741 -6.385 1.876 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.626 -5.368 0.989 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.443 -6.128 0.561 1.00 0.00 C ATOM 0 HA ILE A 8 -12.195 -7.782 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.790 -6.583 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.156 -7.284 2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.948 -5.559 2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.869 -4.444 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.543 -5.482 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.035 -5.331 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.514 -6.021 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.055 -5.213 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.267 -6.965 -0.115 1.00 0.00 H new ATOM 85 N LYS A 9 -9.972 -8.901 2.068 1.00 0.00 N ATOM 86 CA LYS A 9 -8.560 -9.216 2.248 1.00 0.00 C ATOM 87 C LYS A 9 -7.935 -9.682 0.936 1.00 0.00 C ATOM 88 O LYS A 9 -6.744 -9.483 0.702 1.00 0.00 O ATOM 89 CB LYS A 9 -8.390 -10.297 3.318 1.00 0.00 C ATOM 90 CG LYS A 9 -7.079 -10.199 4.079 1.00 0.00 C ATOM 91 CD LYS A 9 -6.856 -11.413 4.964 1.00 0.00 C ATOM 92 CE LYS A 9 -6.250 -12.569 4.183 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.295 -13.406 3.532 1.00 0.00 N ATOM 0 H LYS A 9 -10.591 -9.335 2.753 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.049 -8.309 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.217 -10.230 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.454 -11.277 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.254 -10.106 3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.079 -9.297 4.691 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.197 -11.146 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.805 -11.725 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.572 -12.179 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.655 -13.188 4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.026 -14.409 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.206 -13.260 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.384 -13.135 2.532 1.00 0.00 H new ATOM 107 N GLN A 10 -8.748 -10.300 0.086 1.00 0.00 N ATOM 108 CA GLN A 10 -8.274 -10.792 -1.202 1.00 0.00 C ATOM 109 C GLN A 10 -8.221 -9.666 -2.229 1.00 0.00 C ATOM 110 O GLN A 10 -7.143 -9.259 -2.663 1.00 0.00 O ATOM 111 CB GLN A 10 -9.180 -11.917 -1.707 1.00 0.00 C ATOM 112 CG GLN A 10 -8.715 -13.304 -1.294 1.00 0.00 C ATOM 113 CD GLN A 10 -7.639 -13.855 -2.209 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.845 -13.994 -3.415 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.483 -14.173 -1.638 1.00 0.00 N ATOM 0 H GLN A 10 -9.737 -10.472 0.266 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.265 -11.181 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.190 -11.755 -1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.233 -11.869 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.334 -13.267 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.568 -13.983 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.357 -14.041 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.722 -14.549 -2.203 1.00 0.00 H new ATOM 124 N MET A 11 -9.391 -9.167 -2.615 1.00 0.00 N ATOM 125 CA MET A 11 -9.476 -8.087 -3.591 1.00 0.00 C ATOM 126 C MET A 11 -8.314 -7.113 -3.427 1.00 0.00 C ATOM 127 O MET A 11 -7.784 -6.592 -4.409 1.00 0.00 O ATOM 128 CB MET A 11 -10.805 -7.344 -3.445 1.00 0.00 C ATOM 129 CG MET A 11 -10.754 -6.197 -2.448 1.00 0.00 C ATOM 130 SD MET A 11 -10.144 -4.667 -3.181 1.00 0.00 S ATOM 131 CE MET A 11 -11.678 -3.776 -3.430 1.00 0.00 C ATOM 0 H MET A 11 -10.293 -9.493 -2.267 1.00 0.00 H new ATOM 0 HA MET A 11 -9.420 -8.525 -4.587 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.103 -6.955 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.575 -8.051 -3.134 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.752 -6.029 -2.042 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.113 -6.476 -1.612 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.466 -2.805 -3.879 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.328 -4.348 -4.093 1.00 0.00 H new ATOM 0 HE3 MET A 11 -12.175 -3.632 -2.471 1.00 0.00 H new ATOM 141 N LEU A 12 -7.923 -6.870 -2.181 1.00 0.00 N ATOM 142 CA LEU A 12 -6.823 -5.958 -1.888 1.00 0.00 C ATOM 143 C LEU A 12 -5.525 -6.449 -2.520 1.00 0.00 C ATOM 144 O LEU A 12 -4.865 -5.718 -3.259 1.00 0.00 O ATOM 145 CB LEU A 12 -6.645 -5.811 -0.376 1.00 0.00 C ATOM 146 CG LEU A 12 -7.745 -5.044 0.359 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.602 -5.216 1.863 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.710 -3.570 -0.017 1.00 0.00 C ATOM 0 H LEU A 12 -8.351 -7.292 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.067 -4.985 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.572 -6.808 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.695 -5.311 -0.189 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.710 -5.452 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.393 -4.663 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.678 -6.273 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.632 -4.835 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.500 -3.040 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.742 -3.148 0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.863 -3.465 -1.091 1.00 0.00 H new ATOM 160 N LEU A 13 -5.164 -7.694 -2.225 1.00 0.00 N ATOM 161 CA LEU A 13 -3.945 -8.285 -2.766 1.00 0.00 C ATOM 162 C LEU A 13 -4.021 -8.394 -4.286 1.00 0.00 C ATOM 163 O LEU A 13 -3.012 -8.257 -4.979 1.00 0.00 O ATOM 164 CB LEU A 13 -3.711 -9.667 -2.155 1.00 0.00 C ATOM 165 CG LEU A 13 -2.374 -10.331 -2.488 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.298 -9.887 -1.510 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.514 -11.847 -2.478 1.00 0.00 C ATOM 0 H LEU A 13 -5.698 -8.313 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.109 -7.634 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.791 -9.581 -1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.514 -10.328 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.076 -10.020 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.354 -10.370 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.179 -8.805 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.589 -10.167 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.553 -12.303 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.836 -12.176 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.253 -12.149 -3.220 1.00 0.00 H new ATOM 179 N ASP A 14 -5.222 -8.641 -4.797 1.00 0.00 N ATOM 180 CA ASP A 14 -5.430 -8.765 -6.234 1.00 0.00 C ATOM 181 C ASP A 14 -5.526 -7.391 -6.891 1.00 0.00 C ATOM 182 O ASP A 14 -5.374 -7.261 -8.105 1.00 0.00 O ATOM 183 CB ASP A 14 -6.699 -9.570 -6.520 1.00 0.00 C ATOM 184 CG ASP A 14 -6.450 -11.065 -6.514 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.493 -11.510 -7.183 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.211 -11.791 -5.840 1.00 0.00 O ATOM 0 H ASP A 14 -6.066 -8.759 -4.237 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.573 -9.290 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.455 -9.328 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.102 -9.276 -7.489 1.00 0.00 H new ATOM 191 N TRP A 15 -5.779 -6.371 -6.080 1.00 0.00 N ATOM 192 CA TRP A 15 -5.896 -5.006 -6.582 1.00 0.00 C ATOM 193 C TRP A 15 -4.541 -4.308 -6.582 1.00 0.00 C ATOM 194 O TRP A 15 -4.088 -3.812 -7.614 1.00 0.00 O ATOM 195 CB TRP A 15 -6.893 -4.213 -5.735 1.00 0.00 C ATOM 196 CG TRP A 15 -6.898 -2.746 -6.043 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.674 -2.105 -6.966 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.088 -1.739 -5.428 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.395 -0.760 -6.962 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.426 -0.509 -6.026 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.112 -1.755 -4.428 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.821 0.689 -5.658 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.512 -0.565 -4.064 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.868 0.644 -4.677 1.00 0.00 C ATOM 0 H TRP A 15 -5.907 -6.462 -5.072 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.259 -5.053 -7.609 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.894 -4.614 -5.894 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.657 -4.355 -4.680 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.400 -2.585 -7.605 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.837 -0.061 -7.559 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.832 -2.681 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.094 1.621 -6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.755 -0.566 -3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.381 1.558 -4.369 1.00 0.00 H new ATOM 215 N CYS A 16 -3.898 -4.273 -5.420 1.00 0.00 N ATOM 216 CA CYS A 16 -2.594 -3.635 -5.287 1.00 0.00 C ATOM 217 C CYS A 16 -1.722 -3.918 -6.506 1.00 0.00 C ATOM 218 O CYS A 16 -1.144 -3.004 -7.094 1.00 0.00 O ATOM 219 CB CYS A 16 -1.892 -4.122 -4.018 1.00 0.00 C ATOM 220 SG CYS A 16 -1.751 -5.920 -3.897 1.00 0.00 S ATOM 0 H CYS A 16 -4.259 -4.679 -4.557 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.750 -2.558 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.894 -3.686 -3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.436 -3.752 -3.149 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.629 -6.478 -4.677 1.00 0.00 H new ATOM 226 N ARG A 17 -1.632 -5.191 -6.879 1.00 0.00 N ATOM 227 CA ARG A 17 -0.829 -5.595 -8.027 1.00 0.00 C ATOM 228 C ARG A 17 -1.291 -4.880 -9.293 1.00 0.00 C ATOM 229 O ARG A 17 -0.490 -4.269 -10.000 1.00 0.00 O ATOM 230 CB ARG A 17 -0.910 -7.110 -8.225 1.00 0.00 C ATOM 231 CG ARG A 17 -0.446 -7.908 -7.018 1.00 0.00 C ATOM 232 CD ARG A 17 -0.616 -9.403 -7.239 1.00 0.00 C ATOM 233 NE ARG A 17 0.549 -9.995 -7.891 1.00 0.00 N ATOM 234 CZ ARG A 17 0.724 -10.016 -9.208 1.00 0.00 C ATOM 235 NH1 ARG A 17 -0.186 -9.478 -10.009 1.00 0.00 N ATOM 236 NH2 ARG A 17 1.810 -10.573 -9.725 1.00 0.00 N ATOM 0 H ARG A 17 -2.105 -5.959 -6.403 1.00 0.00 H new ATOM 0 HA ARG A 17 0.206 -5.316 -7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.940 -7.383 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.305 -7.388 -9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.602 -7.686 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.013 -7.602 -6.139 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.784 -9.894 -6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.502 -9.581 -7.848 1.00 0.00 H new ATOM 0 HE ARG A 17 1.268 -10.416 -7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.022 -9.047 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.050 -9.495 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.513 -10.986 -9.112 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.943 -10.588 -10.736 1.00 0.00 H new ATOM 250 N ALA A 18 -2.587 -4.961 -9.572 1.00 0.00 N ATOM 251 CA ALA A 18 -3.156 -4.321 -10.752 1.00 0.00 C ATOM 252 C ALA A 18 -2.599 -2.913 -10.934 1.00 0.00 C ATOM 253 O ALA A 18 -2.323 -2.483 -12.055 1.00 0.00 O ATOM 254 CB ALA A 18 -4.674 -4.281 -10.651 1.00 0.00 C ATOM 0 H ALA A 18 -3.263 -5.463 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.877 -4.910 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.085 -3.800 -11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.061 -5.297 -10.577 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.965 -3.716 -9.765 1.00 0.00 H new ATOM 260 N LYS A 19 -2.437 -2.198 -9.827 1.00 0.00 N ATOM 261 CA LYS A 19 -1.913 -0.837 -9.863 1.00 0.00 C ATOM 262 C LYS A 19 -0.387 -0.842 -9.848 1.00 0.00 C ATOM 263 O LYS A 19 0.251 0.111 -10.297 1.00 0.00 O ATOM 264 CB LYS A 19 -2.442 -0.032 -8.674 1.00 0.00 C ATOM 265 CG LYS A 19 -3.958 -0.005 -8.586 1.00 0.00 C ATOM 266 CD LYS A 19 -4.559 0.947 -9.607 1.00 0.00 C ATOM 267 CE LYS A 19 -5.957 0.513 -10.019 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.730 1.632 -10.624 1.00 0.00 N ATOM 0 H LYS A 19 -2.661 -2.538 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.249 -0.369 -10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.040 -0.453 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.072 0.991 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.351 -1.009 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.260 0.298 -7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.598 1.953 -9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.917 0.992 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.887 -0.307 -10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.490 0.133 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.677 1.295 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.819 2.405 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.234 1.979 -11.470 1.00 0.00 H new ATOM 282 N THR A 20 0.192 -1.921 -9.330 1.00 0.00 N ATOM 283 CA THR A 20 1.642 -2.049 -9.258 1.00 0.00 C ATOM 284 C THR A 20 2.163 -3.009 -10.321 1.00 0.00 C ATOM 285 O THR A 20 3.158 -3.702 -10.111 1.00 0.00 O ATOM 286 CB THR A 20 2.093 -2.544 -7.871 1.00 0.00 C ATOM 287 OG1 THR A 20 1.230 -2.016 -6.857 1.00 0.00 O ATOM 288 CG2 THR A 20 3.529 -2.127 -7.588 1.00 0.00 C ATOM 0 H THR A 20 -0.321 -2.718 -8.954 1.00 0.00 H new ATOM 0 HA THR A 20 2.056 -1.056 -9.435 1.00 0.00 H new ATOM 0 HB THR A 20 2.038 -3.633 -7.863 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.410 -2.551 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.825 -2.488 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.188 -2.554 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 20 3.604 -1.040 -7.614 1.00 0.00 H new ATOM 296 N ARG A 21 1.485 -3.043 -11.464 1.00 0.00 N ATOM 297 CA ARG A 21 1.880 -3.918 -12.561 1.00 0.00 C ATOM 298 C ARG A 21 2.972 -3.270 -13.408 1.00 0.00 C ATOM 299 O ARG A 21 2.983 -2.055 -13.600 1.00 0.00 O ATOM 300 CB ARG A 21 0.671 -4.252 -13.436 1.00 0.00 C ATOM 301 CG ARG A 21 -0.261 -5.283 -12.820 1.00 0.00 C ATOM 302 CD ARG A 21 -1.050 -6.027 -13.886 1.00 0.00 C ATOM 303 NE ARG A 21 -1.783 -7.162 -13.331 1.00 0.00 N ATOM 304 CZ ARG A 21 -2.869 -7.681 -13.893 1.00 0.00 C ATOM 305 NH1 ARG A 21 -3.344 -7.171 -15.021 1.00 0.00 N ATOM 306 NH2 ARG A 21 -3.481 -8.714 -13.328 1.00 0.00 N ATOM 0 H ARG A 21 0.660 -2.475 -11.654 1.00 0.00 H new ATOM 0 HA ARG A 21 2.275 -4.839 -12.133 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.110 -3.338 -13.630 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.022 -4.622 -14.400 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.319 -5.994 -12.232 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.949 -4.789 -12.134 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.750 -5.342 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.370 -6.379 -14.661 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.442 -7.579 -12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.875 -6.378 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.178 -7.572 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.118 -9.110 -12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.315 -9.112 -13.760 1.00 0.00 H new ATOM 320 N GLY A 22 3.889 -4.091 -13.911 1.00 0.00 N ATOM 321 CA GLY A 22 4.972 -3.580 -14.731 1.00 0.00 C ATOM 322 C GLY A 22 6.231 -3.317 -13.929 1.00 0.00 C ATOM 323 O GLY A 22 7.325 -3.719 -14.329 1.00 0.00 O ATOM 0 H GLY A 22 3.901 -5.100 -13.765 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.192 -4.295 -15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.653 -2.657 -15.215 1.00 0.00 H new ATOM 327 N TYR A 23 6.079 -2.641 -12.796 1.00 0.00 N ATOM 328 CA TYR A 23 7.214 -2.322 -11.938 1.00 0.00 C ATOM 329 C TYR A 23 8.167 -3.508 -11.832 1.00 0.00 C ATOM 330 O TYR A 23 7.757 -4.619 -11.498 1.00 0.00 O ATOM 331 CB TYR A 23 6.730 -1.915 -10.546 1.00 0.00 C ATOM 332 CG TYR A 23 5.906 -0.648 -10.537 1.00 0.00 C ATOM 333 CD1 TYR A 23 4.535 -0.685 -10.764 1.00 0.00 C ATOM 334 CD2 TYR A 23 6.497 0.588 -10.304 1.00 0.00 C ATOM 335 CE1 TYR A 23 3.778 0.470 -10.758 1.00 0.00 C ATOM 336 CE2 TYR A 23 5.748 1.748 -10.294 1.00 0.00 C ATOM 337 CZ TYR A 23 4.389 1.684 -10.522 1.00 0.00 C ATOM 338 OH TYR A 23 3.639 2.838 -10.515 1.00 0.00 O ATOM 0 H TYR A 23 5.181 -2.303 -12.450 1.00 0.00 H new ATOM 0 HA TYR A 23 7.752 -1.486 -12.386 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.137 -2.727 -10.125 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.594 -1.781 -9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.053 -1.634 -10.948 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.561 0.642 -10.128 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.714 0.423 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.223 2.700 -10.109 1.00 0.00 H new ATOM 0 HH TYR A 23 4.235 3.616 -10.526 1.00 0.00 H new ATOM 348 N GLU A 24 9.442 -3.263 -12.117 1.00 0.00 N ATOM 349 CA GLU A 24 10.454 -4.311 -12.053 1.00 0.00 C ATOM 350 C GLU A 24 10.955 -4.497 -10.624 1.00 0.00 C ATOM 351 O GLU A 24 10.937 -3.564 -9.821 1.00 0.00 O ATOM 352 CB GLU A 24 11.627 -3.974 -12.976 1.00 0.00 C ATOM 353 CG GLU A 24 12.639 -5.100 -13.109 1.00 0.00 C ATOM 354 CD GLU A 24 12.275 -6.087 -14.201 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.733 -5.651 -15.238 1.00 0.00 O ATOM 356 OE2 GLU A 24 12.533 -7.295 -14.019 1.00 0.00 O ATOM 0 H GLU A 24 9.799 -2.348 -12.394 1.00 0.00 H new ATOM 0 HA GLU A 24 9.996 -5.243 -12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.241 -3.725 -13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.132 -3.085 -12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.621 -4.677 -13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.716 -5.628 -12.159 1.00 0.00 H new ATOM 363 N HIS A 25 11.401 -5.710 -10.313 1.00 0.00 N ATOM 364 CA HIS A 25 11.907 -6.021 -8.980 1.00 0.00 C ATOM 365 C HIS A 25 10.825 -5.807 -7.925 1.00 0.00 C ATOM 366 O HIS A 25 11.115 -5.411 -6.796 1.00 0.00 O ATOM 367 CB HIS A 25 13.126 -5.155 -8.661 1.00 0.00 C ATOM 368 CG HIS A 25 14.142 -5.122 -9.761 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.635 -6.259 -10.364 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.756 -4.079 -10.367 1.00 0.00 C ATOM 371 CE1 HIS A 25 15.510 -5.917 -11.293 1.00 0.00 C ATOM 372 NE2 HIS A 25 15.602 -4.600 -11.315 1.00 0.00 N ATOM 0 H HIS A 25 11.422 -6.494 -10.966 1.00 0.00 H new ATOM 0 HA HIS A 25 12.202 -7.070 -8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.794 -4.138 -8.453 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.598 -5.528 -7.752 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.608 -3.032 -10.146 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.057 -6.599 -11.927 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.204 -4.058 -11.935 1.00 0.00 H new ATOM 381 N VAL A 26 9.578 -6.070 -8.302 1.00 0.00 N ATOM 382 CA VAL A 26 8.453 -5.907 -7.388 1.00 0.00 C ATOM 383 C VAL A 26 7.463 -7.058 -7.524 1.00 0.00 C ATOM 384 O VAL A 26 7.217 -7.552 -8.624 1.00 0.00 O ATOM 385 CB VAL A 26 7.716 -4.578 -7.638 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.517 -4.450 -6.710 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.664 -3.401 -7.462 1.00 0.00 C ATOM 0 H VAL A 26 9.321 -6.397 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 26 8.863 -5.902 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 26 7.353 -4.572 -8.666 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.008 -3.505 -6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.828 -5.275 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.854 -4.478 -5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.126 -2.470 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.059 -3.401 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.487 -3.488 -8.171 1.00 0.00 H new ATOM 397 N ASP A 27 6.898 -7.481 -6.398 1.00 0.00 N ATOM 398 CA ASP A 27 5.933 -8.574 -6.391 1.00 0.00 C ATOM 399 C ASP A 27 5.172 -8.618 -5.070 1.00 0.00 C ATOM 400 O ASP A 27 5.758 -8.854 -4.013 1.00 0.00 O ATOM 401 CB ASP A 27 6.640 -9.909 -6.632 1.00 0.00 C ATOM 402 CG ASP A 27 6.789 -10.227 -8.107 1.00 0.00 C ATOM 403 OD1 ASP A 27 5.775 -10.582 -8.743 1.00 0.00 O ATOM 404 OD2 ASP A 27 7.921 -10.121 -8.626 1.00 0.00 O ATOM 0 H ASP A 27 7.092 -7.084 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 27 5.218 -8.400 -7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.626 -9.884 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.079 -10.707 -6.146 1.00 0.00 H new ATOM 409 N ILE A 28 3.865 -8.390 -5.137 1.00 0.00 N ATOM 410 CA ILE A 28 3.025 -8.404 -3.946 1.00 0.00 C ATOM 411 C ILE A 28 2.249 -9.711 -3.837 1.00 0.00 C ATOM 412 O ILE A 28 1.067 -9.772 -4.173 1.00 0.00 O ATOM 413 CB ILE A 28 2.031 -7.228 -3.945 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.778 -5.899 -4.074 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.188 -7.248 -2.678 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.873 -4.722 -4.366 1.00 0.00 C ATOM 0 H ILE A 28 3.365 -8.193 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 28 3.691 -8.307 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 28 1.366 -7.333 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.323 -5.707 -3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.518 -5.984 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.490 -6.411 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.631 -8.184 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.838 -7.164 -1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.471 -3.814 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.347 -4.892 -5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.149 -4.611 -3.559 1.00 0.00 H new ATOM 428 N GLN A 29 2.922 -10.755 -3.363 1.00 0.00 N ATOM 429 CA GLN A 29 2.294 -12.062 -3.207 1.00 0.00 C ATOM 430 C GLN A 29 1.527 -12.145 -1.892 1.00 0.00 C ATOM 431 O GLN A 29 0.465 -12.760 -1.819 1.00 0.00 O ATOM 432 CB GLN A 29 3.349 -13.168 -3.267 1.00 0.00 C ATOM 433 CG GLN A 29 3.662 -13.635 -4.679 1.00 0.00 C ATOM 434 CD GLN A 29 2.593 -14.552 -5.240 1.00 0.00 C ATOM 435 OE1 GLN A 29 1.884 -15.228 -4.494 1.00 0.00 O ATOM 436 NE2 GLN A 29 2.472 -14.582 -6.563 1.00 0.00 N ATOM 0 H GLN A 29 3.902 -10.721 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 29 1.588 -12.198 -4.026 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.266 -12.809 -2.800 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.005 -14.019 -2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.769 -12.767 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.620 -14.155 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.080 -14.005 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 29 1.771 -15.182 -6.998 1.00 0.00 H new ATOM 445 N ASN A 30 2.074 -11.520 -0.853 1.00 0.00 N ATOM 446 CA ASN A 30 1.442 -11.525 0.461 1.00 0.00 C ATOM 447 C ASN A 30 1.924 -10.345 1.300 1.00 0.00 C ATOM 448 O ASN A 30 3.061 -9.894 1.161 1.00 0.00 O ATOM 449 CB ASN A 30 1.737 -12.838 1.188 1.00 0.00 C ATOM 450 CG ASN A 30 3.162 -13.311 0.971 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.392 -14.407 0.460 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.125 -12.484 1.359 1.00 0.00 N ATOM 0 H ASN A 30 2.953 -11.004 -0.896 1.00 0.00 H new ATOM 0 HA ASN A 30 0.365 -11.432 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.559 -12.707 2.255 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.045 -13.606 0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.103 -12.747 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.887 -11.585 1.778 1.00 0.00 H new ATOM 459 N PHE A 31 1.051 -9.851 2.172 1.00 0.00 N ATOM 460 CA PHE A 31 1.387 -8.724 3.034 1.00 0.00 C ATOM 461 C PHE A 31 2.245 -9.177 4.212 1.00 0.00 C ATOM 462 O PHE A 31 1.947 -8.869 5.366 1.00 0.00 O ATOM 463 CB PHE A 31 0.113 -8.049 3.547 1.00 0.00 C ATOM 464 CG PHE A 31 -0.942 -7.878 2.491 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.882 -6.819 1.599 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.993 -8.775 2.391 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.850 -6.659 0.626 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.964 -8.620 1.420 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.893 -7.560 0.537 1.00 0.00 C ATOM 0 H PHE A 31 0.106 -10.213 2.300 1.00 0.00 H new ATOM 0 HA PHE A 31 1.958 -8.007 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.297 -8.640 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.369 -7.071 3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.069 -6.111 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.054 -9.605 3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.791 -5.830 -0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.778 -9.327 1.352 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.652 -7.436 -0.222 1.00 0.00 H new ATOM 479 N SER A 32 3.312 -9.910 3.911 1.00 0.00 N ATOM 480 CA SER A 32 4.212 -10.410 4.944 1.00 0.00 C ATOM 481 C SER A 32 5.591 -9.767 4.820 1.00 0.00 C ATOM 482 O SER A 32 5.985 -8.953 5.655 1.00 0.00 O ATOM 483 CB SER A 32 4.336 -11.932 4.849 1.00 0.00 C ATOM 484 OG SER A 32 4.710 -12.491 6.096 1.00 0.00 O ATOM 0 H SER A 32 3.574 -10.171 2.961 1.00 0.00 H new ATOM 0 HA SER A 32 3.793 -10.147 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.386 -12.358 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.076 -12.193 4.093 1.00 0.00 H new ATOM 0 HG SER A 32 4.781 -13.465 6.010 1.00 0.00 H new ATOM 490 N SER A 33 6.318 -10.140 3.772 1.00 0.00 N ATOM 491 CA SER A 33 7.655 -9.603 3.540 1.00 0.00 C ATOM 492 C SER A 33 7.796 -9.099 2.108 1.00 0.00 C ATOM 493 O SER A 33 8.896 -9.068 1.555 1.00 0.00 O ATOM 494 CB SER A 33 8.712 -10.672 3.824 1.00 0.00 C ATOM 495 OG SER A 33 8.469 -11.844 3.065 1.00 0.00 O ATOM 0 H SER A 33 6.005 -10.811 3.070 1.00 0.00 H new ATOM 0 HA SER A 33 7.806 -8.763 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.702 -10.281 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.711 -10.916 4.886 1.00 0.00 H new ATOM 0 HG SER A 33 9.159 -12.511 3.263 1.00 0.00 H new ATOM 501 N SER A 34 6.675 -8.704 1.512 1.00 0.00 N ATOM 502 CA SER A 34 6.672 -8.204 0.142 1.00 0.00 C ATOM 503 C SER A 34 6.971 -6.709 0.109 1.00 0.00 C ATOM 504 O SER A 34 7.336 -6.160 -0.931 1.00 0.00 O ATOM 505 CB SER A 34 5.322 -8.481 -0.521 1.00 0.00 C ATOM 506 OG SER A 34 5.316 -9.746 -1.158 1.00 0.00 O ATOM 0 H SER A 34 5.757 -8.721 1.957 1.00 0.00 H new ATOM 0 HA SER A 34 7.454 -8.725 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.531 -8.444 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.106 -7.702 -1.252 1.00 0.00 H new ATOM 0 HG SER A 34 5.467 -9.629 -2.119 1.00 0.00 H new ATOM 512 N TRP A 35 6.815 -6.055 1.255 1.00 0.00 N ATOM 513 CA TRP A 35 7.068 -4.623 1.358 1.00 0.00 C ATOM 514 C TRP A 35 8.255 -4.344 2.273 1.00 0.00 C ATOM 515 O TRP A 35 8.791 -3.236 2.289 1.00 0.00 O ATOM 516 CB TRP A 35 5.825 -3.901 1.881 1.00 0.00 C ATOM 517 CG TRP A 35 4.540 -4.503 1.397 1.00 0.00 C ATOM 518 CD1 TRP A 35 4.091 -5.771 1.629 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.542 -3.861 0.597 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.873 -5.957 1.021 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.513 -4.800 0.382 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.414 -2.585 0.042 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.377 -4.501 -0.364 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.286 -2.289 -0.698 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.278 -3.243 -0.895 1.00 0.00 C ATOM 0 H TRP A 35 6.515 -6.494 2.125 1.00 0.00 H new ATOM 0 HA TRP A 35 7.305 -4.249 0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.837 -3.916 2.971 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.866 -2.855 1.576 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.616 -6.518 2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.325 -6.817 1.042 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.184 -1.843 0.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.601 -5.236 -0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.179 -1.306 -1.132 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.407 -2.981 -1.477 1.00 0.00 H new ATOM 536 N SER A 36 8.662 -5.356 3.033 1.00 0.00 N ATOM 537 CA SER A 36 9.784 -5.218 3.953 1.00 0.00 C ATOM 538 C SER A 36 10.966 -4.535 3.270 1.00 0.00 C ATOM 539 O SER A 36 11.817 -3.937 3.929 1.00 0.00 O ATOM 540 CB SER A 36 10.209 -6.589 4.482 1.00 0.00 C ATOM 541 OG SER A 36 11.462 -6.516 5.141 1.00 0.00 O ATOM 0 H SER A 36 8.231 -6.280 3.029 1.00 0.00 H new ATOM 0 HA SER A 36 9.462 -4.598 4.789 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.454 -6.966 5.171 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.270 -7.298 3.656 1.00 0.00 H new ATOM 0 HG SER A 36 11.710 -7.405 5.471 1.00 0.00 H new ATOM 547 N ASP A 37 11.010 -4.628 1.946 1.00 0.00 N ATOM 548 CA ASP A 37 12.086 -4.019 1.172 1.00 0.00 C ATOM 549 C ASP A 37 11.932 -2.502 1.129 1.00 0.00 C ATOM 550 O ASP A 37 12.805 -1.767 1.588 1.00 0.00 O ATOM 551 CB ASP A 37 12.102 -4.583 -0.249 1.00 0.00 C ATOM 552 CG ASP A 37 12.009 -6.096 -0.273 1.00 0.00 C ATOM 553 OD1 ASP A 37 10.910 -6.628 -0.010 1.00 0.00 O ATOM 554 OD2 ASP A 37 13.035 -6.749 -0.557 1.00 0.00 O ATOM 0 H ASP A 37 10.313 -5.119 1.386 1.00 0.00 H new ATOM 0 HA ASP A 37 13.032 -4.257 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.270 -4.162 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.018 -4.270 -0.751 1.00 0.00 H new ATOM 559 N GLY A 38 10.816 -2.040 0.574 1.00 0.00 N ATOM 560 CA GLY A 38 10.569 -0.613 0.480 1.00 0.00 C ATOM 561 C GLY A 38 9.964 -0.216 -0.852 1.00 0.00 C ATOM 562 O GLY A 38 8.816 0.224 -0.913 1.00 0.00 O ATOM 0 H GLY A 38 10.078 -2.629 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.899 -0.310 1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.506 -0.075 0.625 1.00 0.00 H new ATOM 566 N MET A 39 10.738 -0.370 -1.921 1.00 0.00 N ATOM 567 CA MET A 39 10.271 -0.023 -3.258 1.00 0.00 C ATOM 568 C MET A 39 8.798 -0.379 -3.429 1.00 0.00 C ATOM 569 O MET A 39 8.011 0.419 -3.938 1.00 0.00 O ATOM 570 CB MET A 39 11.108 -0.743 -4.317 1.00 0.00 C ATOM 571 CG MET A 39 12.525 -0.206 -4.441 1.00 0.00 C ATOM 572 SD MET A 39 13.494 -1.081 -5.684 1.00 0.00 S ATOM 573 CE MET A 39 13.945 0.267 -6.773 1.00 0.00 C ATOM 0 H MET A 39 11.691 -0.733 -1.888 1.00 0.00 H new ATOM 0 HA MET A 39 10.384 1.054 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.151 -1.805 -4.074 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.610 -0.656 -5.283 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.487 0.853 -4.695 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.025 -0.284 -3.475 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.549 -0.116 -7.595 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.042 0.731 -7.171 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.518 1.008 -6.216 1.00 0.00 H new ATOM 583 N ALA A 40 8.432 -1.583 -3.001 1.00 0.00 N ATOM 584 CA ALA A 40 7.053 -2.044 -3.106 1.00 0.00 C ATOM 585 C ALA A 40 6.072 -0.909 -2.832 1.00 0.00 C ATOM 586 O ALA A 40 5.384 -0.437 -3.738 1.00 0.00 O ATOM 587 CB ALA A 40 6.808 -3.198 -2.145 1.00 0.00 C ATOM 0 H ALA A 40 9.071 -2.256 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 40 6.889 -2.393 -4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.774 -3.532 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.478 -4.022 -2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.996 -2.867 -1.124 1.00 0.00 H new ATOM 593 N PHE A 41 6.013 -0.474 -1.578 1.00 0.00 N ATOM 594 CA PHE A 41 5.114 0.606 -1.185 1.00 0.00 C ATOM 595 C PHE A 41 5.185 1.761 -2.179 1.00 0.00 C ATOM 596 O PHE A 41 4.161 2.220 -2.687 1.00 0.00 O ATOM 597 CB PHE A 41 5.465 1.104 0.219 1.00 0.00 C ATOM 598 CG PHE A 41 4.753 0.361 1.314 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.373 0.414 1.421 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.465 -0.390 2.235 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.715 -0.269 2.427 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.812 -1.075 3.243 1.00 0.00 C ATOM 603 CZ PHE A 41 3.436 -1.013 3.340 1.00 0.00 C ATOM 0 H PHE A 41 6.576 -0.852 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 41 4.096 0.215 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.541 1.014 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.221 2.164 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.804 0.996 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.542 -0.441 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.638 -0.221 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.378 -1.658 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.925 -1.545 4.128 1.00 0.00 H new ATOM 613 N CYS A 42 6.399 2.226 -2.450 1.00 0.00 N ATOM 614 CA CYS A 42 6.605 3.329 -3.382 1.00 0.00 C ATOM 615 C CYS A 42 5.844 3.091 -4.683 1.00 0.00 C ATOM 616 O CYS A 42 4.992 3.889 -5.070 1.00 0.00 O ATOM 617 CB CYS A 42 8.095 3.507 -3.674 1.00 0.00 C ATOM 618 SG CYS A 42 9.064 4.065 -2.253 1.00 0.00 S ATOM 0 H CYS A 42 7.256 1.857 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 42 6.222 4.239 -2.919 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.501 2.559 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.212 4.226 -4.485 1.00 0.00 H new ATOM 0 HG CYS A 42 8.432 3.772 -1.155 1.00 0.00 H new ATOM 624 N ALA A 43 6.161 1.988 -5.353 1.00 0.00 N ATOM 625 CA ALA A 43 5.508 1.644 -6.610 1.00 0.00 C ATOM 626 C ALA A 43 3.997 1.830 -6.513 1.00 0.00 C ATOM 627 O ALA A 43 3.404 2.588 -7.281 1.00 0.00 O ATOM 628 CB ALA A 43 5.841 0.213 -7.004 1.00 0.00 C ATOM 0 H ALA A 43 6.866 1.318 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 43 5.882 2.318 -7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.346 -0.030 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.919 0.110 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.496 -0.468 -6.226 1.00 0.00 H new ATOM 634 N LEU A 44 3.380 1.134 -5.564 1.00 0.00 N ATOM 635 CA LEU A 44 1.938 1.222 -5.367 1.00 0.00 C ATOM 636 C LEU A 44 1.475 2.675 -5.369 1.00 0.00 C ATOM 637 O LEU A 44 0.496 3.025 -6.028 1.00 0.00 O ATOM 638 CB LEU A 44 1.542 0.551 -4.050 1.00 0.00 C ATOM 639 CG LEU A 44 0.050 0.561 -3.714 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.655 -0.609 -4.383 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.157 0.519 -2.207 1.00 0.00 C ATOM 0 H LEU A 44 3.856 0.503 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 44 1.451 0.704 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.881 -0.485 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.080 1.042 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.383 1.486 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.716 -0.586 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.535 -0.536 -5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.220 -1.545 -4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.224 0.527 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.291 -0.389 -1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.314 1.389 -1.751 1.00 0.00 H new ATOM 653 N VAL A 45 2.188 3.519 -4.630 1.00 0.00 N ATOM 654 CA VAL A 45 1.853 4.936 -4.549 1.00 0.00 C ATOM 655 C VAL A 45 2.084 5.632 -5.886 1.00 0.00 C ATOM 656 O VAL A 45 1.147 6.134 -6.508 1.00 0.00 O ATOM 657 CB VAL A 45 2.680 5.648 -3.462 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.319 7.124 -3.397 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.472 4.979 -2.112 1.00 0.00 C ATOM 0 H VAL A 45 3.002 3.246 -4.079 1.00 0.00 H new ATOM 0 HA VAL A 45 0.796 4.997 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 45 3.736 5.569 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.913 7.610 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.524 7.592 -4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.260 7.230 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.064 5.495 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.417 5.025 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.786 3.937 -2.170 1.00 0.00 H new ATOM 669 N HIS A 46 3.339 5.659 -6.324 1.00 0.00 N ATOM 670 CA HIS A 46 3.694 6.293 -7.588 1.00 0.00 C ATOM 671 C HIS A 46 2.578 6.122 -8.614 1.00 0.00 C ATOM 672 O HIS A 46 2.215 7.067 -9.314 1.00 0.00 O ATOM 673 CB HIS A 46 4.996 5.703 -8.131 1.00 0.00 C ATOM 674 CG HIS A 46 5.495 6.387 -9.367 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.523 5.779 -10.604 1.00 0.00 N ATOM 676 CD2 HIS A 46 5.985 7.635 -9.551 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.010 6.623 -11.496 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.299 7.757 -10.882 1.00 0.00 N ATOM 0 H HIS A 46 4.127 5.249 -5.822 1.00 0.00 H new ATOM 0 HA HIS A 46 3.835 7.358 -7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.762 5.763 -7.358 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.844 4.646 -8.347 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.106 8.394 -8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.148 6.421 -12.548 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.692 8.588 -11.325 1.00 0.00 H new ATOM 687 N ASN A 47 2.038 4.911 -8.698 1.00 0.00 N ATOM 688 CA ASN A 47 0.964 4.616 -9.639 1.00 0.00 C ATOM 689 C ASN A 47 -0.116 5.692 -9.586 1.00 0.00 C ATOM 690 O ASN A 47 -0.534 6.220 -10.617 1.00 0.00 O ATOM 691 CB ASN A 47 0.352 3.247 -9.335 1.00 0.00 C ATOM 692 CG ASN A 47 -1.107 3.164 -9.739 1.00 0.00 C ATOM 693 OD1 ASN A 47 -2.000 3.195 -8.892 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.356 3.057 -11.039 1.00 0.00 N ATOM 0 H ASN A 47 2.327 4.118 -8.126 1.00 0.00 H new ATOM 0 HA ASN A 47 1.388 4.601 -10.643 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.916 2.475 -9.859 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.443 3.040 -8.269 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.319 2.997 -11.371 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.585 3.035 -11.706 1.00 0.00 H new ATOM 701 N PHE A 48 -0.565 6.013 -8.377 1.00 0.00 N ATOM 702 CA PHE A 48 -1.597 7.026 -8.188 1.00 0.00 C ATOM 703 C PHE A 48 -1.052 8.420 -8.488 1.00 0.00 C ATOM 704 O PHE A 48 -1.486 9.078 -9.433 1.00 0.00 O ATOM 705 CB PHE A 48 -2.137 6.974 -6.758 1.00 0.00 C ATOM 706 CG PHE A 48 -2.173 5.587 -6.181 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.771 4.548 -6.877 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.609 5.322 -4.944 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.806 3.272 -6.347 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.641 4.048 -4.410 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.239 3.021 -5.113 1.00 0.00 C ATOM 0 H PHE A 48 -0.230 5.586 -7.513 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.410 6.815 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.519 7.608 -6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.144 7.392 -6.743 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.214 4.738 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.138 6.121 -4.390 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.277 2.471 -6.898 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.199 3.856 -3.444 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.263 2.024 -4.699 1.00 0.00 H new ATOM 721 N PHE A 49 -0.100 8.863 -7.674 1.00 0.00 N ATOM 722 CA PHE A 49 0.504 10.179 -7.850 1.00 0.00 C ATOM 723 C PHE A 49 1.960 10.055 -8.289 1.00 0.00 C ATOM 724 O PHE A 49 2.882 10.048 -7.474 1.00 0.00 O ATOM 725 CB PHE A 49 0.418 10.980 -6.549 1.00 0.00 C ATOM 726 CG PHE A 49 -0.946 10.959 -5.921 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.889 11.920 -6.248 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.285 9.978 -5.003 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.144 11.903 -5.671 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.539 9.956 -4.422 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.470 10.919 -4.758 1.00 0.00 C ATOM 0 H PHE A 49 0.270 8.331 -6.886 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.048 10.704 -8.629 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.143 10.582 -5.838 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.701 12.013 -6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.640 12.691 -6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.561 9.222 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.870 12.658 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.790 9.187 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.451 10.903 -4.308 1.00 0.00 H new ATOM 741 N PRO A 50 2.172 9.955 -9.610 1.00 0.00 N ATOM 742 CA PRO A 50 3.513 9.829 -10.189 1.00 0.00 C ATOM 743 C PRO A 50 4.324 11.114 -10.057 1.00 0.00 C ATOM 744 O PRO A 50 5.522 11.076 -9.779 1.00 0.00 O ATOM 745 CB PRO A 50 3.236 9.521 -11.662 1.00 0.00 C ATOM 746 CG PRO A 50 1.889 10.100 -11.924 1.00 0.00 C ATOM 747 CD PRO A 50 1.120 9.956 -10.640 1.00 0.00 C ATOM 0 HA PRO A 50 4.105 9.066 -9.684 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.991 9.968 -12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.249 8.448 -11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.965 11.147 -12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.390 9.575 -12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.419 10.778 -10.497 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.538 9.034 -10.621 1.00 0.00 H new ATOM 755 N GLU A 51 3.662 12.249 -10.258 1.00 0.00 N ATOM 756 CA GLU A 51 4.323 13.545 -10.161 1.00 0.00 C ATOM 757 C GLU A 51 4.692 13.862 -8.715 1.00 0.00 C ATOM 758 O GLU A 51 5.641 14.601 -8.452 1.00 0.00 O ATOM 759 CB GLU A 51 3.420 14.646 -10.721 1.00 0.00 C ATOM 760 CG GLU A 51 2.075 14.744 -10.022 1.00 0.00 C ATOM 761 CD GLU A 51 1.463 16.128 -10.125 1.00 0.00 C ATOM 762 OE1 GLU A 51 2.220 17.097 -10.342 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.227 16.241 -9.987 1.00 0.00 O ATOM 0 H GLU A 51 2.670 12.297 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 51 5.239 13.501 -10.750 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.934 15.603 -10.637 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.256 14.464 -11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.390 14.015 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.196 14.482 -8.971 1.00 0.00 H new ATOM 770 N ALA A 52 3.935 13.297 -7.780 1.00 0.00 N ATOM 771 CA ALA A 52 4.182 13.517 -6.361 1.00 0.00 C ATOM 772 C ALA A 52 5.634 13.214 -6.003 1.00 0.00 C ATOM 773 O ALA A 52 6.228 13.885 -5.159 1.00 0.00 O ATOM 774 CB ALA A 52 3.242 12.664 -5.523 1.00 0.00 C ATOM 0 H ALA A 52 3.145 12.683 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 52 3.993 14.568 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.438 12.839 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.210 12.930 -5.750 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.404 11.611 -5.753 1.00 0.00 H new ATOM 780 N PHE A 53 6.199 12.200 -6.650 1.00 0.00 N ATOM 781 CA PHE A 53 7.580 11.808 -6.398 1.00 0.00 C ATOM 782 C PHE A 53 8.088 10.872 -7.492 1.00 0.00 C ATOM 783 O PHE A 53 7.317 10.117 -8.084 1.00 0.00 O ATOM 784 CB PHE A 53 7.699 11.127 -5.033 1.00 0.00 C ATOM 785 CG PHE A 53 7.081 9.760 -4.989 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.742 9.580 -5.299 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.838 8.653 -4.638 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.171 8.322 -5.259 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.272 7.393 -4.596 1.00 0.00 C ATOM 790 CZ PHE A 53 5.936 7.227 -4.908 1.00 0.00 C ATOM 0 H PHE A 53 5.722 11.635 -7.352 1.00 0.00 H new ATOM 0 HA PHE A 53 8.193 12.709 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.753 11.049 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.224 11.756 -4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.138 10.432 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.883 8.777 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.126 8.195 -5.502 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.873 6.539 -4.320 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.491 6.243 -4.877 1.00 0.00 H new ATOM 800 N ASP A 54 9.389 10.928 -7.753 1.00 0.00 N ATOM 801 CA ASP A 54 10.000 10.085 -8.774 1.00 0.00 C ATOM 802 C ASP A 54 10.368 8.719 -8.203 1.00 0.00 C ATOM 803 O ASP A 54 11.003 8.625 -7.152 1.00 0.00 O ATOM 804 CB ASP A 54 11.245 10.764 -9.348 1.00 0.00 C ATOM 805 CG ASP A 54 10.903 11.852 -10.346 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.770 11.535 -11.547 1.00 0.00 O ATOM 807 OD2 ASP A 54 10.767 13.020 -9.927 1.00 0.00 O ATOM 0 H ASP A 54 10.041 11.548 -7.272 1.00 0.00 H new ATOM 0 HA ASP A 54 9.273 9.940 -9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.829 11.193 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.873 10.016 -9.832 1.00 0.00 H new ATOM 812 N TYR A 55 9.964 7.664 -8.901 1.00 0.00 N ATOM 813 CA TYR A 55 10.248 6.303 -8.462 1.00 0.00 C ATOM 814 C TYR A 55 11.702 5.933 -8.740 1.00 0.00 C ATOM 815 O TYR A 55 12.455 5.599 -7.826 1.00 0.00 O ATOM 816 CB TYR A 55 9.316 5.313 -9.162 1.00 0.00 C ATOM 817 CG TYR A 55 9.591 3.869 -8.811 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.390 3.397 -7.519 1.00 0.00 C ATOM 819 CD2 TYR A 55 10.054 2.976 -9.770 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.641 2.078 -7.193 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.306 1.655 -9.453 1.00 0.00 C ATOM 822 CZ TYR A 55 10.098 1.211 -8.164 1.00 0.00 C ATOM 823 OH TYR A 55 10.350 -0.103 -7.844 1.00 0.00 O ATOM 0 H TYR A 55 9.439 7.725 -9.773 1.00 0.00 H new ATOM 0 HA TYR A 55 10.078 6.253 -7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.285 5.551 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.409 5.440 -10.241 1.00 0.00 H new ATOM 0 HD1 TYR A 55 9.031 4.073 -6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.220 3.320 -10.780 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.480 1.728 -6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.664 0.974 -10.211 1.00 0.00 H new ATOM 0 HH TYR A 55 10.665 -0.579 -8.641 1.00 0.00 H new ATOM 833 N GLY A 56 12.090 5.995 -10.010 1.00 0.00 N ATOM 834 CA GLY A 56 13.451 5.665 -10.387 1.00 0.00 C ATOM 835 C GLY A 56 14.478 6.322 -9.486 1.00 0.00 C ATOM 836 O GLY A 56 15.564 5.782 -9.277 1.00 0.00 O ATOM 0 H GLY A 56 11.485 6.268 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.582 4.583 -10.353 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.625 5.975 -11.417 1.00 0.00 H new ATOM 840 N GLN A 57 14.135 7.490 -8.954 1.00 0.00 N ATOM 841 CA GLN A 57 15.037 8.221 -8.072 1.00 0.00 C ATOM 842 C GLN A 57 15.311 7.432 -6.797 1.00 0.00 C ATOM 843 O GLN A 57 16.414 7.477 -6.251 1.00 0.00 O ATOM 844 CB GLN A 57 14.445 9.588 -7.723 1.00 0.00 C ATOM 845 CG GLN A 57 14.633 10.629 -8.814 1.00 0.00 C ATOM 846 CD GLN A 57 14.664 12.045 -8.272 1.00 0.00 C ATOM 847 OE1 GLN A 57 13.620 12.651 -8.027 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.864 12.580 -8.081 1.00 0.00 N ATOM 0 H GLN A 57 13.240 7.950 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 57 15.981 8.365 -8.598 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.380 9.473 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.905 9.950 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.563 10.428 -9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.824 10.539 -9.539 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.703 12.042 -8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.947 13.529 -7.718 1.00 0.00 H new ATOM 857 N LEU A 58 14.301 6.709 -6.326 1.00 0.00 N ATOM 858 CA LEU A 58 14.433 5.908 -5.113 1.00 0.00 C ATOM 859 C LEU A 58 15.383 4.736 -5.335 1.00 0.00 C ATOM 860 O LEU A 58 15.684 4.375 -6.473 1.00 0.00 O ATOM 861 CB LEU A 58 13.063 5.392 -4.668 1.00 0.00 C ATOM 862 CG LEU A 58 11.979 6.451 -4.470 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.604 5.803 -4.409 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.246 7.259 -3.208 1.00 0.00 C ATOM 0 H LEU A 58 13.382 6.661 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 58 14.847 6.544 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.710 4.673 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.188 4.849 -3.731 1.00 0.00 H new ATOM 0 HG LEU A 58 12.001 7.129 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.845 6.573 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.411 5.270 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.569 5.102 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.464 8.008 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.252 6.594 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.213 7.755 -3.291 1.00 0.00 H new ATOM 876 N SER A 59 15.851 4.145 -4.241 1.00 0.00 N ATOM 877 CA SER A 59 16.769 3.014 -4.315 1.00 0.00 C ATOM 878 C SER A 59 16.319 1.888 -3.390 1.00 0.00 C ATOM 879 O SER A 59 15.675 2.111 -2.365 1.00 0.00 O ATOM 880 CB SER A 59 18.187 3.456 -3.948 1.00 0.00 C ATOM 881 OG SER A 59 18.783 4.188 -5.005 1.00 0.00 O ATOM 0 H SER A 59 15.610 4.430 -3.292 1.00 0.00 H new ATOM 0 HA SER A 59 16.766 2.642 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.158 4.070 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.796 2.582 -3.719 1.00 0.00 H new ATOM 0 HG SER A 59 19.688 4.460 -4.745 1.00 0.00 H new ATOM 887 N PRO A 60 16.667 0.646 -3.759 1.00 0.00 N ATOM 888 CA PRO A 60 16.310 -0.542 -2.977 1.00 0.00 C ATOM 889 C PRO A 60 17.070 -0.616 -1.657 1.00 0.00 C ATOM 890 O PRO A 60 16.502 -0.966 -0.623 1.00 0.00 O ATOM 891 CB PRO A 60 16.711 -1.702 -3.891 1.00 0.00 C ATOM 892 CG PRO A 60 17.781 -1.144 -4.765 1.00 0.00 C ATOM 893 CD PRO A 60 17.435 0.305 -4.969 1.00 0.00 C ATOM 0 HA PRO A 60 15.256 -0.546 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.074 -2.553 -3.315 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.863 -2.054 -4.479 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.760 -1.249 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.823 -1.673 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 60 18.329 0.922 -5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.846 0.454 -5.874 1.00 0.00 H new ATOM 901 N GLN A 61 18.356 -0.283 -1.701 1.00 0.00 N ATOM 902 CA GLN A 61 19.193 -0.313 -0.507 1.00 0.00 C ATOM 903 C GLN A 61 18.561 0.496 0.621 1.00 0.00 C ATOM 904 O GLN A 61 18.689 0.148 1.794 1.00 0.00 O ATOM 905 CB GLN A 61 20.587 0.232 -0.823 1.00 0.00 C ATOM 906 CG GLN A 61 21.471 0.389 0.404 1.00 0.00 C ATOM 907 CD GLN A 61 22.676 1.272 0.147 1.00 0.00 C ATOM 908 OE1 GLN A 61 22.990 1.595 -0.999 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.358 1.670 1.215 1.00 0.00 N ATOM 0 H GLN A 61 18.841 0.010 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 61 19.281 -1.349 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 61 21.077 -0.436 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.487 1.200 -1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 61 20.883 0.812 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.809 -0.594 0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.062 1.378 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.177 2.267 1.103 1.00 0.00 H new ATOM 918 N ASN A 62 17.880 1.577 0.257 1.00 0.00 N ATOM 919 CA ASN A 62 17.228 2.436 1.240 1.00 0.00 C ATOM 920 C ASN A 62 16.039 1.727 1.879 1.00 0.00 C ATOM 921 O ASN A 62 15.049 1.427 1.211 1.00 0.00 O ATOM 922 CB ASN A 62 16.767 3.738 0.583 1.00 0.00 C ATOM 923 CG ASN A 62 17.840 4.810 0.607 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.334 5.185 1.670 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.204 5.309 -0.569 1.00 0.00 N ATOM 0 H ASN A 62 17.765 1.879 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 62 17.952 2.667 2.021 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.479 3.539 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.878 4.106 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.921 6.033 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.767 4.968 -1.425 1.00 0.00 H new ATOM 932 N ARG A 63 16.143 1.462 3.177 1.00 0.00 N ATOM 933 CA ARG A 63 15.076 0.787 3.907 1.00 0.00 C ATOM 934 C ARG A 63 14.136 1.799 4.556 1.00 0.00 C ATOM 935 O ARG A 63 12.951 1.527 4.746 1.00 0.00 O ATOM 936 CB ARG A 63 15.665 -0.136 4.976 1.00 0.00 C ATOM 937 CG ARG A 63 16.419 -1.326 4.405 1.00 0.00 C ATOM 938 CD ARG A 63 17.491 -1.818 5.364 1.00 0.00 C ATOM 939 NE ARG A 63 16.923 -2.569 6.481 1.00 0.00 N ATOM 940 CZ ARG A 63 17.634 -3.371 7.265 1.00 0.00 C ATOM 941 NH1 ARG A 63 18.934 -3.526 7.056 1.00 0.00 N ATOM 942 NH2 ARG A 63 17.045 -4.020 8.262 1.00 0.00 N ATOM 0 H ARG A 63 16.955 1.704 3.745 1.00 0.00 H new ATOM 0 HA ARG A 63 14.505 0.190 3.196 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.339 0.440 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.859 -0.499 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.719 -2.135 4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.878 -1.046 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.198 -2.449 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 63 18.053 -0.966 5.748 1.00 0.00 H new ATOM 0 HE ARG A 63 15.925 -2.472 6.669 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.391 -3.029 6.291 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.478 -4.143 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.045 -3.903 8.427 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.592 -4.636 8.863 1.00 0.00 H new ATOM 956 N ARG A 64 14.674 2.967 4.893 1.00 0.00 N ATOM 957 CA ARG A 64 13.885 4.019 5.521 1.00 0.00 C ATOM 958 C ARG A 64 13.207 4.892 4.469 1.00 0.00 C ATOM 959 O ARG A 64 11.981 4.919 4.368 1.00 0.00 O ATOM 960 CB ARG A 64 14.771 4.882 6.422 1.00 0.00 C ATOM 961 CG ARG A 64 15.230 4.172 7.685 1.00 0.00 C ATOM 962 CD ARG A 64 15.843 5.145 8.680 1.00 0.00 C ATOM 963 NE ARG A 64 16.260 4.479 9.911 1.00 0.00 N ATOM 964 CZ ARG A 64 17.071 5.031 10.806 1.00 0.00 C ATOM 965 NH1 ARG A 64 17.549 6.252 10.609 1.00 0.00 N ATOM 966 NH2 ARG A 64 17.405 4.362 11.902 1.00 0.00 N ATOM 0 H ARG A 64 15.653 3.208 4.741 1.00 0.00 H new ATOM 0 HA ARG A 64 13.113 3.546 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.646 5.202 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.224 5.783 6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.383 3.664 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.960 3.405 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.703 5.636 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.119 5.925 8.917 1.00 0.00 H new ATOM 0 HE ARG A 64 15.909 3.539 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.294 6.770 9.768 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.172 6.673 11.298 1.00 0.00 H new ATOM 0 HH21 ARG A 64 17.039 3.423 12.058 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.028 4.787 12.589 1.00 0.00 H new ATOM 980 N GLN A 65 14.014 5.605 3.690 1.00 0.00 N ATOM 981 CA GLN A 65 13.492 6.480 2.647 1.00 0.00 C ATOM 982 C GLN A 65 12.329 5.819 1.914 1.00 0.00 C ATOM 983 O GLN A 65 11.232 6.371 1.845 1.00 0.00 O ATOM 984 CB GLN A 65 14.597 6.841 1.653 1.00 0.00 C ATOM 985 CG GLN A 65 14.386 8.181 0.969 1.00 0.00 C ATOM 986 CD GLN A 65 15.675 8.775 0.436 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.498 9.285 1.197 1.00 0.00 O ATOM 988 NE2 GLN A 65 15.859 8.711 -0.878 1.00 0.00 N ATOM 0 H GLN A 65 15.031 5.594 3.761 1.00 0.00 H new ATOM 0 HA GLN A 65 13.128 7.391 3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.553 6.856 2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.660 6.061 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.680 8.058 0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.934 8.878 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.151 8.279 -1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.709 9.093 -1.293 1.00 0.00 H new ATOM 997 N ASN A 66 12.578 4.633 1.367 1.00 0.00 N ATOM 998 CA ASN A 66 11.552 3.897 0.638 1.00 0.00 C ATOM 999 C ASN A 66 10.213 3.964 1.366 1.00 0.00 C ATOM 1000 O ASN A 66 9.181 4.262 0.764 1.00 0.00 O ATOM 1001 CB ASN A 66 11.973 2.437 0.456 1.00 0.00 C ATOM 1002 CG ASN A 66 12.951 2.256 -0.689 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.172 3.172 -1.482 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.541 1.070 -0.781 1.00 0.00 N ATOM 0 H ASN A 66 13.481 4.162 1.415 1.00 0.00 H new ATOM 0 HA ASN A 66 11.437 4.360 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.427 2.075 1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 66 11.088 1.826 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.208 0.889 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.327 0.340 -0.101 1.00 0.00 H new ATOM 1011 N PHE A 67 10.238 3.687 2.665 1.00 0.00 N ATOM 1012 CA PHE A 67 9.026 3.715 3.476 1.00 0.00 C ATOM 1013 C PHE A 67 8.528 5.146 3.660 1.00 0.00 C ATOM 1014 O PHE A 67 7.366 5.448 3.394 1.00 0.00 O ATOM 1015 CB PHE A 67 9.286 3.074 4.841 1.00 0.00 C ATOM 1016 CG PHE A 67 9.246 1.573 4.816 1.00 0.00 C ATOM 1017 CD1 PHE A 67 10.165 0.855 4.067 1.00 0.00 C ATOM 1018 CD2 PHE A 67 8.291 0.879 5.540 1.00 0.00 C ATOM 1019 CE1 PHE A 67 10.131 -0.526 4.042 1.00 0.00 C ATOM 1020 CE2 PHE A 67 8.251 -0.502 5.519 1.00 0.00 C ATOM 1021 CZ PHE A 67 9.173 -1.206 4.769 1.00 0.00 C ATOM 0 H PHE A 67 11.084 3.441 3.179 1.00 0.00 H new ATOM 0 HA PHE A 67 8.256 3.145 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.261 3.397 5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.544 3.437 5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.916 1.381 3.496 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.568 1.424 6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.853 -1.074 3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.500 -1.030 6.088 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.145 -2.285 4.751 1.00 0.00 H new ATOM 1031 N GLU A 68 9.418 6.021 4.118 1.00 0.00 N ATOM 1032 CA GLU A 68 9.068 7.420 4.339 1.00 0.00 C ATOM 1033 C GLU A 68 8.431 8.025 3.092 1.00 0.00 C ATOM 1034 O GLU A 68 7.251 8.377 3.092 1.00 0.00 O ATOM 1035 CB GLU A 68 10.310 8.223 4.732 1.00 0.00 C ATOM 1036 CG GLU A 68 11.022 7.682 5.960 1.00 0.00 C ATOM 1037 CD GLU A 68 11.749 8.762 6.736 1.00 0.00 C ATOM 1038 OE1 GLU A 68 12.905 9.073 6.381 1.00 0.00 O ATOM 1039 OE2 GLU A 68 11.161 9.297 7.699 1.00 0.00 O ATOM 0 H GLU A 68 10.385 5.787 4.343 1.00 0.00 H new ATOM 0 HA GLU A 68 8.344 7.463 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.006 8.232 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.020 9.257 4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.296 7.198 6.613 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.736 6.917 5.654 1.00 0.00 H new ATOM 1046 N VAL A 69 9.220 8.143 2.029 1.00 0.00 N ATOM 1047 CA VAL A 69 8.734 8.705 0.774 1.00 0.00 C ATOM 1048 C VAL A 69 7.312 8.242 0.479 1.00 0.00 C ATOM 1049 O VAL A 69 6.407 9.057 0.302 1.00 0.00 O ATOM 1050 CB VAL A 69 9.644 8.315 -0.405 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.066 8.823 -1.717 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.052 8.849 -0.191 1.00 0.00 C ATOM 0 H VAL A 69 10.199 7.857 2.012 1.00 0.00 H new ATOM 0 HA VAL A 69 8.744 9.789 0.888 1.00 0.00 H new ATOM 0 HB VAL A 69 9.697 7.227 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.723 8.538 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.079 8.387 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.981 9.909 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.681 8.564 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.021 9.936 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.464 8.431 0.727 1.00 0.00 H new ATOM 1062 N ALA A 70 7.122 6.927 0.429 1.00 0.00 N ATOM 1063 CA ALA A 70 5.809 6.355 0.158 1.00 0.00 C ATOM 1064 C ALA A 70 4.736 7.009 1.022 1.00 0.00 C ATOM 1065 O ALA A 70 3.649 7.332 0.542 1.00 0.00 O ATOM 1066 CB ALA A 70 5.831 4.851 0.388 1.00 0.00 C ATOM 0 H ALA A 70 7.861 6.238 0.573 1.00 0.00 H new ATOM 0 HA ALA A 70 5.564 6.548 -0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.844 4.437 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.563 4.392 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.102 4.645 1.424 1.00 0.00 H new ATOM 1072 N PHE A 71 5.048 7.202 2.299 1.00 0.00 N ATOM 1073 CA PHE A 71 4.109 7.816 3.231 1.00 0.00 C ATOM 1074 C PHE A 71 3.984 9.314 2.969 1.00 0.00 C ATOM 1075 O PHE A 71 2.929 9.797 2.558 1.00 0.00 O ATOM 1076 CB PHE A 71 4.559 7.575 4.674 1.00 0.00 C ATOM 1077 CG PHE A 71 4.442 6.142 5.107 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.236 5.468 4.998 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.537 5.469 5.623 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.125 4.148 5.395 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.432 4.149 6.022 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.225 3.489 5.909 1.00 0.00 C ATOM 0 H PHE A 71 5.944 6.942 2.712 1.00 0.00 H new ATOM 0 HA PHE A 71 3.132 7.356 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.595 7.895 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.963 8.198 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.373 5.980 4.598 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.484 5.981 5.715 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.180 3.633 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.294 3.635 6.422 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.141 2.459 6.222 1.00 0.00 H new ATOM 1092 N SER A 72 5.069 10.043 3.210 1.00 0.00 N ATOM 1093 CA SER A 72 5.080 11.487 3.005 1.00 0.00 C ATOM 1094 C SER A 72 4.419 11.852 1.679 1.00 0.00 C ATOM 1095 O SER A 72 3.461 12.624 1.642 1.00 0.00 O ATOM 1096 CB SER A 72 6.515 12.017 3.035 1.00 0.00 C ATOM 1097 OG SER A 72 7.155 11.686 4.256 1.00 0.00 O ATOM 0 H SER A 72 5.951 9.658 3.547 1.00 0.00 H new ATOM 0 HA SER A 72 4.513 11.948 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.078 11.599 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.509 13.099 2.905 1.00 0.00 H new ATOM 0 HG SER A 72 8.071 12.034 4.250 1.00 0.00 H new ATOM 1103 N SER A 73 4.939 11.292 0.592 1.00 0.00 N ATOM 1104 CA SER A 73 4.403 11.561 -0.738 1.00 0.00 C ATOM 1105 C SER A 73 2.878 11.565 -0.718 1.00 0.00 C ATOM 1106 O SER A 73 2.242 12.474 -1.250 1.00 0.00 O ATOM 1107 CB SER A 73 4.908 10.516 -1.735 1.00 0.00 C ATOM 1108 OG SER A 73 6.289 10.690 -2.000 1.00 0.00 O ATOM 0 H SER A 73 5.731 10.649 0.605 1.00 0.00 H new ATOM 0 HA SER A 73 4.748 12.547 -1.049 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.734 9.516 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.344 10.593 -2.664 1.00 0.00 H new ATOM 0 HG SER A 73 6.499 10.336 -2.889 1.00 0.00 H new ATOM 1114 N ALA A 74 2.297 10.542 -0.099 1.00 0.00 N ATOM 1115 CA ALA A 74 0.847 10.428 -0.007 1.00 0.00 C ATOM 1116 C ALA A 74 0.259 11.560 0.829 1.00 0.00 C ATOM 1117 O ALA A 74 -0.558 12.341 0.344 1.00 0.00 O ATOM 1118 CB ALA A 74 0.460 9.079 0.581 1.00 0.00 C ATOM 0 H ALA A 74 2.809 9.780 0.346 1.00 0.00 H new ATOM 0 HA ALA A 74 0.437 10.504 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.626 9.008 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.840 8.281 -0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.889 8.980 1.578 1.00 0.00 H new ATOM 1124 N GLU A 75 0.681 11.640 2.087 1.00 0.00 N ATOM 1125 CA GLU A 75 0.194 12.676 2.990 1.00 0.00 C ATOM 1126 C GLU A 75 0.194 14.040 2.305 1.00 0.00 C ATOM 1127 O GLU A 75 -0.539 14.947 2.699 1.00 0.00 O ATOM 1128 CB GLU A 75 1.054 12.728 4.254 1.00 0.00 C ATOM 1129 CG GLU A 75 0.667 13.845 5.209 1.00 0.00 C ATOM 1130 CD GLU A 75 1.322 13.703 6.569 1.00 0.00 C ATOM 1131 OE1 GLU A 75 0.868 12.848 7.359 1.00 0.00 O ATOM 1132 OE2 GLU A 75 2.286 14.446 6.844 1.00 0.00 O ATOM 0 H GLU A 75 1.358 11.001 2.503 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.831 12.428 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.977 11.774 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.098 12.852 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.947 14.804 4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.416 13.855 5.331 1.00 0.00 H new ATOM 1139 N THR A 76 1.025 14.178 1.275 1.00 0.00 N ATOM 1140 CA THR A 76 1.123 15.430 0.536 1.00 0.00 C ATOM 1141 C THR A 76 -0.257 15.961 0.168 1.00 0.00 C ATOM 1142 O THR A 76 -0.660 17.034 0.619 1.00 0.00 O ATOM 1143 CB THR A 76 1.954 15.258 -0.750 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.236 14.703 -0.435 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.134 16.592 -1.460 1.00 0.00 C ATOM 0 H THR A 76 1.639 13.438 0.935 1.00 0.00 H new ATOM 0 HA THR A 76 1.621 16.145 1.190 1.00 0.00 H new ATOM 0 HB THR A 76 1.418 14.580 -1.414 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.757 14.595 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.724 16.446 -2.365 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.158 16.998 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.650 17.289 -0.800 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.979 15.205 -0.653 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.316 15.600 -1.080 1.00 0.00 C ATOM 1155 C HIS A 77 -3.369 14.650 -0.518 1.00 0.00 C ATOM 1156 O HIS A 77 -4.529 15.024 -0.348 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.400 15.628 -2.606 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.484 14.648 -3.274 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.643 14.990 -4.311 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.281 13.329 -3.045 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.038 13.924 -4.693 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.330 12.903 -3.941 1.00 0.00 N ATOM 0 H HIS A 77 -0.660 14.315 -1.036 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.512 16.601 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.426 15.419 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.162 16.632 -2.957 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.774 12.725 -2.298 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.771 13.893 -5.486 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.033 11.952 -4.013 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.956 13.419 -0.232 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.864 12.416 0.311 1.00 0.00 C ATOM 1173 C ALA A 78 -4.059 12.609 1.811 1.00 0.00 C ATOM 1174 O ALA A 78 -5.073 12.193 2.373 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.340 11.018 0.021 1.00 0.00 C ATOM 0 H ALA A 78 -1.999 13.093 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.833 12.537 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.028 10.279 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.257 10.877 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.359 10.895 0.479 1.00 0.00 H new ATOM 1181 N ASP A 79 -3.084 13.240 2.454 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.149 13.488 3.890 1.00 0.00 C ATOM 1183 C ASP A 79 -3.606 12.239 4.637 1.00 0.00 C ATOM 1184 O ASP A 79 -4.515 12.297 5.465 1.00 0.00 O ATOM 1185 CB ASP A 79 -4.099 14.650 4.186 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.703 15.418 5.431 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.104 15.001 6.538 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.993 16.438 5.300 1.00 0.00 O ATOM 0 H ASP A 79 -2.238 13.590 2.004 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.148 13.750 4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.115 15.329 3.333 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.112 14.266 4.306 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.970 11.112 4.338 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.312 9.847 4.979 1.00 0.00 C ATOM 1195 C CYS A 80 -2.609 9.713 6.326 1.00 0.00 C ATOM 1196 O CYS A 80 -1.422 10.009 6.466 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.936 8.674 4.074 1.00 0.00 C ATOM 1198 SG CYS A 80 -3.307 7.050 4.778 1.00 0.00 S ATOM 0 H CYS A 80 -2.215 11.048 3.656 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.389 9.833 5.149 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.464 8.776 3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.870 8.727 3.852 1.00 0.00 H new ATOM 0 HG CYS A 80 -2.229 6.323 4.784 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.357 9.257 7.342 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.826 9.074 8.696 1.00 0.00 C ATOM 1206 C PRO A 81 -1.834 7.919 8.778 1.00 0.00 C ATOM 1207 O PRO A 81 -2.227 6.753 8.799 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.074 8.768 9.528 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.046 8.194 8.555 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.778 8.884 7.246 1.00 0.00 C ATOM 0 HA PRO A 81 -2.273 9.948 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.853 8.063 10.329 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.468 9.670 9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.915 7.116 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.072 8.363 8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.964 8.224 6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.415 9.759 7.115 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.548 8.251 8.826 1.00 0.00 N ATOM 1219 CA GLN A 82 0.499 7.240 8.906 1.00 0.00 C ATOM 1220 C GLN A 82 0.205 6.239 10.018 1.00 0.00 C ATOM 1221 O GLN A 82 0.248 6.578 11.201 1.00 0.00 O ATOM 1222 CB GLN A 82 1.858 7.901 9.145 1.00 0.00 C ATOM 1223 CG GLN A 82 2.352 8.720 7.964 1.00 0.00 C ATOM 1224 CD GLN A 82 3.316 9.816 8.376 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.667 9.941 9.549 1.00 0.00 O ATOM 1226 NE2 GLN A 82 3.751 10.616 7.409 1.00 0.00 N ATOM 0 H GLN A 82 -0.206 9.212 8.811 1.00 0.00 H new ATOM 0 HA GLN A 82 0.525 6.704 7.957 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.790 8.546 10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.593 7.129 9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.843 8.060 7.249 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.498 9.165 7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.434 10.476 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.402 11.370 7.626 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.094 5.004 9.631 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.396 3.951 10.595 1.00 0.00 C ATOM 1237 C LEU A 83 0.857 3.153 10.940 1.00 0.00 C ATOM 1238 O LEU A 83 1.203 2.995 12.112 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.472 3.017 10.040 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.742 3.691 9.519 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.501 2.755 8.591 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.627 4.129 10.678 1.00 0.00 C ATOM 0 H LEU A 83 -0.134 4.707 8.656 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.767 4.422 11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.035 2.434 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.753 2.313 10.823 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.454 4.577 8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.402 3.252 8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.868 2.491 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.778 1.851 9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.526 4.607 10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.906 3.259 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.083 4.836 11.304 1.00 0.00 H new ATOM 1254 N LEU A 84 1.536 2.654 9.913 1.00 0.00 N ATOM 1255 CA LEU A 84 2.753 1.874 10.108 1.00 0.00 C ATOM 1256 C LEU A 84 3.892 2.756 10.610 1.00 0.00 C ATOM 1257 O LEU A 84 4.043 3.898 10.176 1.00 0.00 O ATOM 1258 CB LEU A 84 3.160 1.192 8.800 1.00 0.00 C ATOM 1259 CG LEU A 84 2.065 0.397 8.088 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.305 0.382 6.587 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.996 -1.022 8.634 1.00 0.00 C ATOM 0 H LEU A 84 1.265 2.776 8.937 1.00 0.00 H new ATOM 0 HA LEU A 84 2.550 1.112 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.530 1.955 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.992 0.520 9.008 1.00 0.00 H new ATOM 0 HG LEU A 84 1.108 0.884 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.515 -0.189 6.098 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.302 1.404 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.270 -0.080 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.211 -1.573 8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.953 -1.519 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.774 -0.991 9.701 1.00 0.00 H new ATOM 1273 N ASP A 85 4.690 2.219 11.525 1.00 0.00 N ATOM 1274 CA ASP A 85 5.818 2.956 12.084 1.00 0.00 C ATOM 1275 C ASP A 85 7.120 2.563 11.394 1.00 0.00 C ATOM 1276 O ASP A 85 7.849 1.691 11.869 1.00 0.00 O ATOM 1277 CB ASP A 85 5.926 2.701 13.588 1.00 0.00 C ATOM 1278 CG ASP A 85 4.672 3.110 14.336 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.139 4.202 14.049 1.00 0.00 O ATOM 1280 OD2 ASP A 85 4.224 2.337 15.208 1.00 0.00 O ATOM 0 H ASP A 85 4.577 1.276 11.896 1.00 0.00 H new ATOM 0 HA ASP A 85 5.645 4.019 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.120 1.642 13.761 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.779 3.251 13.986 1.00 0.00 H new ATOM 1285 N THR A 86 7.407 3.211 10.269 1.00 0.00 N ATOM 1286 CA THR A 86 8.620 2.928 9.512 1.00 0.00 C ATOM 1287 C THR A 86 9.775 2.565 10.439 1.00 0.00 C ATOM 1288 O THR A 86 10.446 1.553 10.242 1.00 0.00 O ATOM 1289 CB THR A 86 9.033 4.130 8.643 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.972 4.473 7.744 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.293 3.818 7.851 1.00 0.00 C ATOM 0 H THR A 86 6.815 3.936 9.862 1.00 0.00 H new ATOM 0 HA THR A 86 8.397 2.080 8.864 1.00 0.00 H new ATOM 0 HB THR A 86 9.237 4.973 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.242 5.239 7.196 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.565 4.682 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.107 3.586 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.112 2.962 7.201 1.00 0.00 H new ATOM 1299 N GLU A 87 9.999 3.398 11.451 1.00 0.00 N ATOM 1300 CA GLU A 87 11.074 3.163 12.408 1.00 0.00 C ATOM 1301 C GLU A 87 11.053 1.721 12.907 1.00 0.00 C ATOM 1302 O GLU A 87 12.090 1.061 12.972 1.00 0.00 O ATOM 1303 CB GLU A 87 10.952 4.126 13.591 1.00 0.00 C ATOM 1304 CG GLU A 87 11.431 5.534 13.283 1.00 0.00 C ATOM 1305 CD GLU A 87 12.927 5.695 13.471 1.00 0.00 C ATOM 1306 OE1 GLU A 87 13.511 4.929 14.266 1.00 0.00 O ATOM 1307 OE2 GLU A 87 13.515 6.588 12.824 1.00 0.00 O ATOM 0 H GLU A 87 9.451 4.240 11.629 1.00 0.00 H new ATOM 0 HA GLU A 87 12.023 3.339 11.901 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.910 4.167 13.909 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.526 3.732 14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.168 5.787 12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.909 6.241 13.928 1.00 0.00 H new ATOM 1314 N ASP A 88 9.866 1.240 13.258 1.00 0.00 N ATOM 1315 CA ASP A 88 9.709 -0.123 13.751 1.00 0.00 C ATOM 1316 C ASP A 88 9.677 -1.118 12.595 1.00 0.00 C ATOM 1317 O ASP A 88 10.114 -2.260 12.734 1.00 0.00 O ATOM 1318 CB ASP A 88 8.429 -0.244 14.580 1.00 0.00 C ATOM 1319 CG ASP A 88 8.370 0.770 15.705 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.446 1.196 16.177 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.249 1.137 16.115 1.00 0.00 O ATOM 0 H ASP A 88 8.998 1.774 13.210 1.00 0.00 H new ATOM 0 HA ASP A 88 10.566 -0.356 14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.564 -0.111 13.930 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.363 -1.249 14.997 1.00 0.00 H new ATOM 1326 N MET A 89 9.155 -0.677 11.455 1.00 0.00 N ATOM 1327 CA MET A 89 9.066 -1.529 10.275 1.00 0.00 C ATOM 1328 C MET A 89 10.455 -1.929 9.788 1.00 0.00 C ATOM 1329 O MET A 89 10.674 -3.066 9.369 1.00 0.00 O ATOM 1330 CB MET A 89 8.308 -0.812 9.157 1.00 0.00 C ATOM 1331 CG MET A 89 6.921 -0.343 9.567 1.00 0.00 C ATOM 1332 SD MET A 89 5.701 -1.670 9.531 1.00 0.00 S ATOM 1333 CE MET A 89 5.330 -1.742 7.781 1.00 0.00 C ATOM 0 H MET A 89 8.787 0.265 11.324 1.00 0.00 H new ATOM 0 HA MET A 89 8.522 -2.433 10.550 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.891 0.048 8.828 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.218 -1.482 8.302 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.966 0.077 10.572 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.601 0.458 8.901 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.467 -2.388 7.618 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.107 -0.740 7.415 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.189 -2.142 7.243 1.00 0.00 H new ATOM 1343 N VAL A 90 11.392 -0.987 9.844 1.00 0.00 N ATOM 1344 CA VAL A 90 12.760 -1.242 9.409 1.00 0.00 C ATOM 1345 C VAL A 90 13.375 -2.403 10.182 1.00 0.00 C ATOM 1346 O VAL A 90 13.654 -3.460 9.616 1.00 0.00 O ATOM 1347 CB VAL A 90 13.646 0.005 9.585 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.118 -0.375 9.540 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.322 1.043 8.522 1.00 0.00 C ATOM 0 H VAL A 90 11.228 -0.040 10.186 1.00 0.00 H new ATOM 0 HA VAL A 90 12.713 -1.499 8.351 1.00 0.00 H new ATOM 0 HB VAL A 90 13.438 0.442 10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.729 0.519 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.337 -1.080 10.342 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.345 -0.837 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.958 1.917 8.662 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.500 0.619 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.276 1.337 8.608 1.00 0.00 H new ATOM 1359 N ARG A 91 13.584 -2.199 11.479 1.00 0.00 N ATOM 1360 CA ARG A 91 14.167 -3.228 12.330 1.00 0.00 C ATOM 1361 C ARG A 91 13.365 -4.524 12.244 1.00 0.00 C ATOM 1362 O ARG A 91 13.932 -5.614 12.164 1.00 0.00 O ATOM 1363 CB ARG A 91 14.225 -2.748 13.781 1.00 0.00 C ATOM 1364 CG ARG A 91 12.906 -2.191 14.292 1.00 0.00 C ATOM 1365 CD ARG A 91 13.037 -1.664 15.712 1.00 0.00 C ATOM 1366 NE ARG A 91 12.757 -2.696 16.707 1.00 0.00 N ATOM 1367 CZ ARG A 91 11.531 -3.070 17.054 1.00 0.00 C ATOM 1368 NH1 ARG A 91 10.476 -2.499 16.489 1.00 0.00 N ATOM 1369 NH2 ARG A 91 11.358 -4.017 17.967 1.00 0.00 N ATOM 0 H ARG A 91 13.358 -1.330 11.963 1.00 0.00 H new ATOM 0 HA ARG A 91 15.180 -3.423 11.978 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.530 -3.579 14.418 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.993 -1.980 13.870 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.569 -1.389 13.635 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.144 -2.970 14.261 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.045 -1.278 15.864 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.351 -0.829 15.853 1.00 0.00 H new ATOM 0 HE ARG A 91 13.547 -3.155 17.160 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.605 -1.771 15.786 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.535 -2.788 16.757 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.167 -4.459 18.403 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.416 -4.303 18.233 1.00 0.00 H new ATOM 1383 N LEU A 92 12.043 -4.397 12.261 1.00 0.00 N ATOM 1384 CA LEU A 92 11.162 -5.557 12.185 1.00 0.00 C ATOM 1385 C LEU A 92 11.535 -6.448 11.004 1.00 0.00 C ATOM 1386 O LEU A 92 11.702 -5.970 9.882 1.00 0.00 O ATOM 1387 CB LEU A 92 9.704 -5.108 12.060 1.00 0.00 C ATOM 1388 CG LEU A 92 8.975 -4.823 13.373 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.606 -4.218 13.103 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.845 -6.095 14.198 1.00 0.00 C ATOM 0 H LEU A 92 11.557 -3.502 12.327 1.00 0.00 H new ATOM 0 HA LEU A 92 11.281 -6.133 13.103 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.674 -4.207 11.448 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.152 -5.878 11.521 1.00 0.00 H new ATOM 0 HG LEU A 92 9.562 -4.103 13.943 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.102 -4.022 14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.723 -3.284 12.554 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.011 -4.914 12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.324 -5.873 15.129 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.281 -6.838 13.634 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.837 -6.486 14.422 1.00 0.00 H new ATOM 1402 N ARG A 93 11.661 -7.745 11.265 1.00 0.00 N ATOM 1403 CA ARG A 93 12.013 -8.703 10.224 1.00 0.00 C ATOM 1404 C ARG A 93 11.076 -8.573 9.027 1.00 0.00 C ATOM 1405 O ARG A 93 11.493 -8.735 7.880 1.00 0.00 O ATOM 1406 CB ARG A 93 11.961 -10.129 10.774 1.00 0.00 C ATOM 1407 CG ARG A 93 12.753 -11.130 9.949 1.00 0.00 C ATOM 1408 CD ARG A 93 12.757 -12.506 10.596 1.00 0.00 C ATOM 1409 NE ARG A 93 13.814 -12.638 11.595 1.00 0.00 N ATOM 1410 CZ ARG A 93 13.664 -12.307 12.872 1.00 0.00 C ATOM 1411 NH1 ARG A 93 12.507 -11.827 13.304 1.00 0.00 N ATOM 1412 NH2 ARG A 93 14.674 -12.457 13.721 1.00 0.00 N ATOM 0 H ARG A 93 11.525 -8.156 12.188 1.00 0.00 H new ATOM 0 HA ARG A 93 13.029 -8.486 9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.343 -10.130 11.795 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.921 -10.453 10.822 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.325 -11.198 8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.778 -10.778 9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.790 -12.689 11.065 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.888 -13.268 9.827 1.00 0.00 H new ATOM 0 HE ARG A 93 14.717 -13.005 11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.729 -11.711 12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.395 -11.574 14.286 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.566 -12.827 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 93 14.558 -12.202 14.702 1.00 0.00 H new ATOM 1426 N GLU A 94 9.809 -8.282 9.303 1.00 0.00 N ATOM 1427 CA GLU A 94 8.813 -8.132 8.248 1.00 0.00 C ATOM 1428 C GLU A 94 7.500 -7.595 8.811 1.00 0.00 C ATOM 1429 O GLU A 94 7.093 -7.924 9.926 1.00 0.00 O ATOM 1430 CB GLU A 94 8.571 -9.473 7.551 1.00 0.00 C ATOM 1431 CG GLU A 94 7.702 -10.428 8.352 1.00 0.00 C ATOM 1432 CD GLU A 94 8.402 -10.953 9.591 1.00 0.00 C ATOM 1433 OE1 GLU A 94 9.312 -11.796 9.445 1.00 0.00 O ATOM 1434 OE2 GLU A 94 8.040 -10.522 10.705 1.00 0.00 O ATOM 0 H GLU A 94 9.448 -8.145 10.247 1.00 0.00 H new ATOM 0 HA GLU A 94 9.196 -7.416 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.101 -9.291 6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.532 -9.949 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.784 -9.919 8.646 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.412 -11.267 7.720 1.00 0.00 H new ATOM 1441 N PRO A 95 6.821 -6.749 8.024 1.00 0.00 N ATOM 1442 CA PRO A 95 5.545 -6.148 8.422 1.00 0.00 C ATOM 1443 C PRO A 95 4.413 -7.168 8.467 1.00 0.00 C ATOM 1444 O PRO A 95 4.132 -7.842 7.476 1.00 0.00 O ATOM 1445 CB PRO A 95 5.285 -5.109 7.328 1.00 0.00 C ATOM 1446 CG PRO A 95 6.030 -5.614 6.141 1.00 0.00 C ATOM 1447 CD PRO A 95 7.247 -6.313 6.683 1.00 0.00 C ATOM 0 HA PRO A 95 5.589 -5.727 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.220 -5.015 7.116 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.639 -4.122 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.415 -6.298 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.312 -4.795 5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.536 -7.158 6.059 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.106 -5.644 6.732 1.00 0.00 H new ATOM 1455 N ASP A 96 3.766 -7.276 9.622 1.00 0.00 N ATOM 1456 CA ASP A 96 2.662 -8.214 9.796 1.00 0.00 C ATOM 1457 C ASP A 96 1.405 -7.709 9.094 1.00 0.00 C ATOM 1458 O ASP A 96 1.041 -6.540 9.217 1.00 0.00 O ATOM 1459 CB ASP A 96 2.379 -8.431 11.283 1.00 0.00 C ATOM 1460 CG ASP A 96 3.327 -9.433 11.913 1.00 0.00 C ATOM 1461 OD1 ASP A 96 4.474 -9.050 12.222 1.00 0.00 O ATOM 1462 OD2 ASP A 96 2.922 -10.601 12.094 1.00 0.00 O ATOM 0 H ASP A 96 3.987 -6.726 10.452 1.00 0.00 H new ATOM 0 HA ASP A 96 2.950 -9.164 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.460 -7.479 11.808 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.353 -8.778 11.408 1.00 0.00 H new ATOM 1467 N TRP A 97 0.747 -8.599 8.359 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.469 -8.243 7.637 1.00 0.00 C ATOM 1469 C TRP A 97 -1.426 -7.464 8.533 1.00 0.00 C ATOM 1470 O TRP A 97 -1.957 -6.426 8.137 1.00 0.00 O ATOM 1471 CB TRP A 97 -1.158 -9.501 7.106 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.544 -10.467 8.185 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.802 -11.516 8.649 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.765 -10.475 8.932 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.490 -12.175 9.640 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.696 -11.555 9.833 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.909 -9.672 8.929 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -3.728 -11.852 10.719 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.933 -9.969 9.809 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -4.836 -11.050 10.694 1.00 0.00 C ATOM 0 H TRP A 97 1.035 -9.571 8.248 1.00 0.00 H new ATOM 0 HA TRP A 97 -0.190 -7.608 6.796 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.050 -9.211 6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.493 -10.001 6.401 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.180 -11.787 8.290 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.156 -12.993 10.149 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.991 -8.835 8.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.656 -12.686 11.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.823 -9.357 9.814 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.653 -11.255 11.371 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.643 -7.971 9.742 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.535 -7.322 10.695 1.00 0.00 C ATOM 1493 C LYS A 98 -2.447 -5.804 10.577 1.00 0.00 C ATOM 1494 O LYS A 98 -3.457 -5.106 10.670 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.190 -7.754 12.122 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.686 -9.146 12.473 1.00 0.00 C ATOM 1497 CD LYS A 98 -4.112 -9.115 12.997 1.00 0.00 C ATOM 1498 CE LYS A 98 -4.385 -10.276 13.942 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.831 -10.627 13.985 1.00 0.00 N ATOM 0 H LYS A 98 -1.213 -8.830 10.085 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.556 -7.627 10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.108 -7.720 12.252 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.618 -7.037 12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.636 -9.784 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.031 -9.588 13.224 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.290 -8.173 13.516 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.809 -9.154 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.809 -11.146 13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.044 -10.016 14.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.940 -11.659 13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.242 -10.298 14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.323 -10.170 13.191 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.235 -5.301 10.370 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.016 -3.865 10.238 1.00 0.00 C ATOM 1515 C CYS A 99 -1.121 -3.431 8.779 1.00 0.00 C ATOM 1516 O CYS A 99 -1.960 -2.602 8.426 1.00 0.00 O ATOM 1517 CB CYS A 99 0.354 -3.483 10.799 1.00 0.00 C ATOM 1518 SG CYS A 99 0.416 -3.399 12.604 1.00 0.00 S ATOM 0 H CYS A 99 -0.389 -5.866 10.290 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.790 -3.351 10.808 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.091 -4.209 10.454 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.645 -2.515 10.391 1.00 0.00 H new ATOM 0 HG CYS A 99 1.616 -3.071 12.982 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.262 -3.994 7.936 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.257 -3.666 6.516 1.00 0.00 C ATOM 1526 C VAL A 100 -1.677 -3.571 5.969 1.00 0.00 C ATOM 1527 O VAL A 100 -2.091 -2.527 5.466 1.00 0.00 O ATOM 1528 CB VAL A 100 0.528 -4.710 5.700 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.511 -4.356 4.221 1.00 0.00 C ATOM 1530 CG2 VAL A 100 1.955 -4.824 6.214 1.00 0.00 C ATOM 0 H VAL A 100 0.440 -4.680 8.212 1.00 0.00 H new ATOM 0 HA VAL A 100 0.233 -2.697 6.417 1.00 0.00 H new ATOM 0 HB VAL A 100 0.044 -5.679 5.821 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.071 -5.105 3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.519 -4.331 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.969 -3.378 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.495 -5.566 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.452 -3.858 6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.942 -5.130 7.260 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.418 -4.669 6.071 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.792 -4.711 5.585 1.00 0.00 C ATOM 1542 C TYR A 101 -4.549 -3.447 5.979 1.00 0.00 C ATOM 1543 O TYR A 101 -5.333 -2.908 5.197 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.512 -5.943 6.136 1.00 0.00 C ATOM 1545 CG TYR A 101 -6.019 -5.812 6.140 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.683 -5.240 7.219 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.778 -6.258 5.065 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.059 -5.119 7.227 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.154 -6.140 5.065 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.790 -5.570 6.148 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.161 -5.450 6.152 1.00 0.00 O ATOM 0 H TYR A 101 -2.090 -5.541 6.486 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.764 -4.771 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.233 -6.813 5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.169 -6.129 7.154 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.114 -4.884 8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.284 -6.705 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.560 -4.674 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.729 -6.492 4.221 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.524 -5.815 5.318 1.00 0.00 H new ATOM 1561 N THR A 102 -4.307 -2.976 7.198 1.00 0.00 N ATOM 1562 CA THR A 102 -4.965 -1.775 7.699 1.00 0.00 C ATOM 1563 C THR A 102 -4.662 -0.573 6.812 1.00 0.00 C ATOM 1564 O THR A 102 -5.573 0.074 6.294 1.00 0.00 O ATOM 1565 CB THR A 102 -4.531 -1.457 9.142 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.692 -2.615 9.969 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.345 -0.304 9.710 1.00 0.00 C ATOM 0 H THR A 102 -3.660 -3.408 7.857 1.00 0.00 H new ATOM 0 HA THR A 102 -6.037 -1.972 7.686 1.00 0.00 H new ATOM 0 HB THR A 102 -3.481 -1.166 9.126 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.931 -3.219 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.021 -0.097 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.197 0.584 9.095 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.402 -0.571 9.712 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.378 -0.279 6.640 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.956 0.848 5.817 1.00 0.00 C ATOM 1577 C TYR A 103 -3.627 0.804 4.447 1.00 0.00 C ATOM 1578 O TYR A 103 -4.358 1.721 4.072 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.435 0.844 5.652 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.893 2.100 5.007 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.896 3.311 5.688 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.376 2.075 3.718 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.403 4.461 5.103 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.121 3.219 3.125 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.105 4.410 3.821 1.00 0.00 C ATOM 1586 OH TYR A 103 0.599 5.553 3.235 1.00 0.00 O ATOM 0 H TYR A 103 -2.612 -0.805 7.059 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.259 1.766 6.320 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.972 0.719 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.145 -0.018 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.291 3.354 6.692 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.362 1.145 3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.415 5.395 5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.520 3.181 2.122 1.00 0.00 H new ATOM 0 HH TYR A 103 0.919 5.346 2.332 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.374 -0.269 3.706 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.955 -0.435 2.379 1.00 0.00 C ATOM 1598 C ILE A 104 -5.421 -0.017 2.365 1.00 0.00 C ATOM 1599 O ILE A 104 -5.900 0.566 1.392 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.843 -1.892 1.894 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.392 -2.370 1.974 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.370 -2.019 0.472 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.396 -1.374 1.421 1.00 0.00 C ATOM 0 H ILE A 104 -2.771 -1.037 4.002 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.390 0.208 1.704 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.450 -2.523 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.144 -2.580 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.296 -3.308 1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.284 -3.055 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.416 -1.715 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.788 -1.379 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.388 -1.779 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.618 -1.182 0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.463 -0.442 1.983 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.127 -0.316 3.450 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.539 0.030 3.562 1.00 0.00 C ATOM 1617 C GLN A 105 -7.715 1.524 3.813 1.00 0.00 C ATOM 1618 O GLN A 105 -8.560 2.170 3.196 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.193 -0.769 4.691 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.696 -0.564 4.788 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.434 -1.055 3.558 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -9.822 -1.535 2.604 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.756 -0.938 3.574 1.00 0.00 N ATOM 0 H GLN A 105 -5.745 -0.797 4.264 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.025 -0.221 2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.988 -1.829 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.734 -0.486 5.638 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.074 -1.087 5.666 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.905 0.496 4.933 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.222 -0.534 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.306 -1.252 2.774 1.00 0.00 H new ATOM 1632 N GLU A 106 -6.910 2.065 4.722 1.00 0.00 N ATOM 1633 CA GLU A 106 -6.979 3.483 5.055 1.00 0.00 C ATOM 1634 C GLU A 106 -6.803 4.344 3.807 1.00 0.00 C ATOM 1635 O GLU A 106 -7.639 5.194 3.502 1.00 0.00 O ATOM 1636 CB GLU A 106 -5.909 3.840 6.089 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.231 5.090 6.891 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.655 5.098 7.412 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -7.922 4.408 8.418 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.502 5.793 6.813 1.00 0.00 O ATOM 0 H GLU A 106 -6.203 1.543 5.240 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.964 3.683 5.478 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.783 3.001 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.956 3.981 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.540 5.166 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.072 5.969 6.266 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.708 4.117 3.088 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.420 4.871 1.874 1.00 0.00 C ATOM 1649 C PHE A 107 -6.521 4.672 0.836 1.00 0.00 C ATOM 1650 O PHE A 107 -7.024 5.634 0.256 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.071 4.446 1.292 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.398 5.522 0.489 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.242 6.797 1.009 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.922 5.260 -0.785 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.623 7.790 0.273 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.302 6.249 -1.526 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.153 7.516 -0.996 1.00 0.00 C ATOM 0 H PHE A 107 -5.006 3.417 3.326 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.378 5.929 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.412 4.146 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.217 3.570 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.608 7.017 2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.036 4.271 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.507 8.779 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.935 6.031 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.670 8.291 -1.573 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.888 3.416 0.607 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.926 3.089 -0.363 1.00 0.00 C ATOM 1669 C TYR A 108 -9.190 3.904 -0.106 1.00 0.00 C ATOM 1670 O TYR A 108 -10.034 4.058 -0.989 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.251 1.595 -0.310 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.992 1.092 -1.528 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.332 1.403 -1.728 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.353 0.307 -2.480 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -11.013 0.946 -2.839 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.026 -0.153 -3.595 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.356 0.168 -3.770 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.031 -0.289 -4.879 1.00 0.00 O ATOM 0 H TYR A 108 -6.482 2.608 1.080 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.550 3.338 -1.355 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.323 1.034 -0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.850 1.394 0.578 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.849 2.013 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.312 0.052 -2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.054 1.196 -2.978 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.514 -0.761 -4.326 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.424 -0.821 -5.435 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.312 4.425 1.111 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.471 5.225 1.487 1.00 0.00 C ATOM 1690 C ARG A 109 -10.290 6.679 1.061 1.00 0.00 C ATOM 1691 O ARG A 109 -11.265 7.390 0.813 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.702 5.149 2.997 1.00 0.00 C ATOM 1693 CG ARG A 109 -11.947 5.888 3.461 1.00 0.00 C ATOM 1694 CD ARG A 109 -12.322 5.508 4.885 1.00 0.00 C ATOM 1695 NE ARG A 109 -13.315 6.416 5.450 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.949 6.192 6.596 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -13.694 5.094 7.294 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.840 7.066 7.045 1.00 0.00 N ATOM 0 H ARG A 109 -8.622 4.307 1.853 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.343 4.820 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.780 4.103 3.292 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.833 5.561 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.776 6.963 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.777 5.661 2.792 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -12.713 4.490 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.428 5.514 5.509 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.534 7.270 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.010 4.419 6.951 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.182 4.924 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.039 7.911 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.326 6.893 7.925 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.038 7.114 0.980 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.728 8.484 0.586 1.00 0.00 C ATOM 1714 C CYS A 110 -8.752 8.632 -0.932 1.00 0.00 C ATOM 1715 O CYS A 110 -9.205 9.648 -1.461 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.359 8.897 1.130 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.963 8.223 0.200 1.00 0.00 S ATOM 0 H CYS A 110 -8.221 6.538 1.182 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.490 9.138 1.009 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.292 9.985 1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.280 8.575 2.168 1.00 0.00 H new ATOM 0 HG CYS A 110 -6.101 6.936 0.083 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.259 7.613 -1.628 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.222 7.629 -3.086 1.00 0.00 C ATOM 1725 C LEU A 111 -9.621 7.814 -3.664 1.00 0.00 C ATOM 1726 O LEU A 111 -9.861 8.724 -4.458 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.606 6.333 -3.614 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.297 5.894 -2.957 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.831 4.565 -3.531 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.227 6.960 -3.136 1.00 0.00 C ATOM 0 H LEU A 111 -7.879 6.766 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.605 8.471 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.336 5.532 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.432 6.447 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.475 5.762 -1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.898 4.269 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.590 3.804 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.670 4.668 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.302 6.631 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.051 7.124 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.559 7.890 -2.675 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.543 6.946 -3.259 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.920 7.015 -3.735 1.00 0.00 C ATOM 1744 C VAL A 112 -12.463 8.436 -3.641 1.00 0.00 C ATOM 1745 O VAL A 112 -12.993 8.974 -4.613 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.838 6.072 -2.934 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.296 6.318 -3.290 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.457 4.621 -3.183 1.00 0.00 C ATOM 0 H VAL A 112 -10.361 6.187 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.911 6.701 -4.779 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.708 6.281 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.930 5.643 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.558 7.350 -3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.446 6.138 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -13.115 3.968 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.557 4.396 -4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.425 4.458 -2.873 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.326 9.040 -2.465 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.803 10.400 -2.244 1.00 0.00 C ATOM 1760 C GLN A 113 -12.086 11.384 -3.163 1.00 0.00 C ATOM 1761 O GLN A 113 -12.708 12.277 -3.740 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.597 10.805 -0.783 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.303 9.891 0.206 1.00 0.00 C ATOM 1764 CD GLN A 113 -13.411 10.502 1.590 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -13.909 11.617 1.752 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -12.943 9.774 2.597 1.00 0.00 N ATOM 0 H GLN A 113 -11.889 8.609 -1.651 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.868 10.426 -2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.529 10.810 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.956 11.825 -0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -14.302 9.663 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.763 8.946 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.539 8.855 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.988 10.134 3.550 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.775 11.216 -3.294 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.972 12.088 -4.143 1.00 0.00 C ATOM 1777 C LYS A 114 -10.427 12.002 -5.596 1.00 0.00 C ATOM 1778 O LYS A 114 -10.349 12.978 -6.340 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.492 11.715 -4.038 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.796 12.319 -2.830 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.586 13.814 -2.998 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.432 14.112 -3.944 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.407 15.543 -4.355 1.00 0.00 N ATOM 0 H LYS A 114 -10.245 10.483 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.107 13.113 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.402 10.630 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.979 12.041 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.390 12.132 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.833 11.830 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.499 14.270 -3.381 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.387 14.266 -2.026 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.490 13.857 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.516 13.481 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.607 15.705 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.296 15.780 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.301 16.144 -3.513 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.905 10.826 -5.993 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.367 10.636 -7.356 1.00 0.00 C ATOM 1799 C GLY A 115 -10.402 9.811 -8.185 1.00 0.00 C ATOM 1800 O GLY A 115 -10.294 10.002 -9.397 1.00 0.00 O ATOM 0 H GLY A 115 -10.980 10.003 -5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.340 10.145 -7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.507 11.609 -7.828 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.698 8.894 -7.532 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.735 8.038 -8.216 1.00 0.00 C ATOM 1806 C LEU A 116 -9.294 6.631 -8.404 1.00 0.00 C ATOM 1807 O LEU A 116 -9.186 6.048 -9.482 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.425 7.977 -7.428 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.561 9.238 -7.464 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.500 9.190 -6.375 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.917 9.404 -8.832 1.00 0.00 C ATOM 0 H LEU A 116 -9.776 8.724 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.540 8.467 -9.199 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.660 7.751 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.834 7.144 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.202 10.100 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.895 10.096 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.982 9.120 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.861 8.320 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.306 10.307 -8.839 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.289 8.539 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.694 9.486 -9.592 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.894 6.092 -7.347 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.474 4.755 -7.396 1.00 0.00 C ATOM 1825 C VAL A 117 -11.994 4.819 -7.487 1.00 0.00 C ATOM 1826 O VAL A 117 -12.660 5.340 -6.592 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.078 3.927 -6.160 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.764 2.569 -6.185 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.567 3.769 -6.085 1.00 0.00 C ATOM 0 H VAL A 117 -9.991 6.561 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.080 4.271 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.409 4.458 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.472 1.998 -5.304 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.845 2.707 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.467 2.028 -7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.306 3.181 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.209 3.261 -6.980 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.101 4.752 -6.016 1.00 0.00 H new