USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=25 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 175:sc= 0 (180deg=-0.0382) USER MOD Set 1.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 23 TYR OH : rot 17:sc= 0.674 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -1.18 K(o=-0.5,f=-2.3) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0669 (180deg=-0.476) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 167:sc= -1.34 (180deg=-1.87!) USER MOD Single : A 16 CYS SG : rot -15:sc= 0.154 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 93:sc= 0.615 USER MOD Single : A 25 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.00085) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 ASN : amide:sc= -0.972 K(o=-0.97,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -1.58! USER MOD Single : A 34 SER OG : rot -36:sc= 0.285 USER MOD Single : A 36 SER OG : rot 153:sc= 0.804 USER MOD Single : A 42 CYS SG : rot 46:sc= -0.948! USER MOD Single : A 47 ASN : amide:sc= -3.89 X(o=-3.9,f=-3.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0535 K(o=-0.053,f=-1.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.3!) USER MOD Single : A 62 ASN : amide:sc= -0.0621 X(o=-0.062,f=-0.35) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 66 ASN : amide:sc= -2.81! C(o=-2.8!,f=-3.7!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 74:sc= 1.15 USER MOD Single : A 76 THR OG1 : rot 129:sc= 0.607 USER MOD Single : A 77 HIS : no HD1:sc= -2.23! K(o=-2.2!,f=-1.4) USER MOD Single : A 80 CYS SG : rot -140:sc= -1.21 USER MOD Single : A 82 GLN : amide:sc= -2.98! C(o=-3!,f=-5.9!) USER MOD Single : A 86 THR OG1 : rot -29:sc= 0.00465 USER MOD Single : A 89 MET CE :methyl -166:sc= -4.51! (180deg=-5.97!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 CYS SG : rot 180:sc= -0.791 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 0.00402 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0827 K(o=-0.083,f=-1.8!) USER MOD Single : A 108 TYR OH : rot 180:sc= -0.146 USER MOD Single : A 110 CYS SG : rot 66:sc= 0.113 USER MOD Single : A 113 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.65) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.315 -9.325 1.621 1.00 0.00 N ATOM 67 CA ILE A 8 -11.672 -8.055 1.307 1.00 0.00 C ATOM 68 C ILE A 8 -10.177 -8.239 1.068 1.00 0.00 C ATOM 69 O ILE A 8 -9.667 -7.935 -0.010 1.00 0.00 O ATOM 70 CB ILE A 8 -11.877 -7.027 2.436 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.368 -6.745 2.634 1.00 0.00 C ATOM 72 CG2 ILE A 8 -11.127 -5.740 2.123 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.686 -6.080 3.955 1.00 0.00 C ATOM 0 HA ILE A 8 -12.139 -7.681 0.396 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.478 -7.442 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.720 -6.109 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.919 -7.683 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.281 -5.023 2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.063 -5.954 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.499 -5.320 1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.760 -5.910 4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.365 -6.724 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.163 -5.126 4.017 1.00 0.00 H new ATOM 85 N LYS A 9 -9.479 -8.741 2.082 1.00 0.00 N ATOM 86 CA LYS A 9 -8.042 -8.970 1.982 1.00 0.00 C ATOM 87 C LYS A 9 -7.674 -9.532 0.613 1.00 0.00 C ATOM 88 O LYS A 9 -6.578 -9.292 0.109 1.00 0.00 O ATOM 89 CB LYS A 9 -7.581 -9.930 3.081 1.00 0.00 C ATOM 90 CG LYS A 9 -6.118 -9.771 3.453 1.00 0.00 C ATOM 91 CD LYS A 9 -5.763 -10.587 4.685 1.00 0.00 C ATOM 92 CE LYS A 9 -5.370 -12.010 4.317 1.00 0.00 C ATOM 93 NZ LYS A 9 -4.099 -12.051 3.543 1.00 0.00 N ATOM 0 H LYS A 9 -9.885 -8.997 2.982 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.537 -8.013 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.192 -9.772 3.970 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.754 -10.955 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.493 -10.083 2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.901 -8.719 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.941 -10.107 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.614 -10.608 5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.262 -12.603 5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.167 -12.467 3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.654 -12.984 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.300 -11.883 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.454 -11.315 3.895 1.00 0.00 H new ATOM 107 N GLN A 10 -8.598 -10.279 0.017 1.00 0.00 N ATOM 108 CA GLN A 10 -8.369 -10.874 -1.294 1.00 0.00 C ATOM 109 C GLN A 10 -8.409 -9.812 -2.388 1.00 0.00 C ATOM 110 O GLN A 10 -7.394 -9.520 -3.020 1.00 0.00 O ATOM 111 CB GLN A 10 -9.416 -11.953 -1.577 1.00 0.00 C ATOM 112 CG GLN A 10 -8.951 -13.006 -2.571 1.00 0.00 C ATOM 113 CD GLN A 10 -8.103 -14.084 -1.925 1.00 0.00 C ATOM 114 OE1 GLN A 10 -8.601 -14.899 -1.147 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.814 -14.095 -2.244 1.00 0.00 N ATOM 0 H GLN A 10 -9.511 -10.486 0.421 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.379 -11.330 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.684 -12.442 -0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.320 -11.479 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.820 -13.466 -3.041 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.378 -12.524 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.443 -13.401 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.195 -14.798 -1.840 1.00 0.00 H new ATOM 124 N MET A 11 -9.587 -9.237 -2.606 1.00 0.00 N ATOM 125 CA MET A 11 -9.757 -8.207 -3.624 1.00 0.00 C ATOM 126 C MET A 11 -8.682 -7.133 -3.495 1.00 0.00 C ATOM 127 O MET A 11 -8.384 -6.420 -4.455 1.00 0.00 O ATOM 128 CB MET A 11 -11.145 -7.572 -3.510 1.00 0.00 C ATOM 129 CG MET A 11 -11.284 -6.624 -2.330 1.00 0.00 C ATOM 130 SD MET A 11 -12.587 -5.401 -2.571 1.00 0.00 S ATOM 131 CE MET A 11 -12.589 -4.589 -0.975 1.00 0.00 C ATOM 0 H MET A 11 -10.437 -9.467 -2.092 1.00 0.00 H new ATOM 0 HA MET A 11 -9.660 -8.678 -4.602 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.364 -7.029 -4.430 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.891 -8.362 -3.421 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.494 -7.200 -1.429 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.336 -6.112 -2.167 1.00 0.00 H new ATOM 0 HE1 MET A 11 -13.169 -3.668 -1.036 1.00 0.00 H new ATOM 0 HE2 MET A 11 -13.034 -5.250 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.565 -4.354 -0.685 1.00 0.00 H new ATOM 141 N LEU A 12 -8.103 -7.021 -2.305 1.00 0.00 N ATOM 142 CA LEU A 12 -7.060 -6.034 -2.051 1.00 0.00 C ATOM 143 C LEU A 12 -5.746 -6.448 -2.705 1.00 0.00 C ATOM 144 O LEU A 12 -5.164 -5.695 -3.487 1.00 0.00 O ATOM 145 CB LEU A 12 -6.858 -5.851 -0.545 1.00 0.00 C ATOM 146 CG LEU A 12 -7.903 -4.996 0.173 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.657 -5.003 1.674 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.888 -3.573 -0.365 1.00 0.00 C ATOM 0 H LEU A 12 -8.338 -7.602 -1.500 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.378 -5.087 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.841 -6.836 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.877 -5.404 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.888 -5.424 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.410 -4.390 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.718 -6.025 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.666 -4.599 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.638 -2.979 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.903 -3.135 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.113 -3.585 -1.432 1.00 0.00 H new ATOM 160 N LEU A 13 -5.284 -7.651 -2.381 1.00 0.00 N ATOM 161 CA LEU A 13 -4.039 -8.168 -2.939 1.00 0.00 C ATOM 162 C LEU A 13 -4.067 -8.129 -4.463 1.00 0.00 C ATOM 163 O LEU A 13 -3.124 -7.658 -5.100 1.00 0.00 O ATOM 164 CB LEU A 13 -3.798 -9.600 -2.459 1.00 0.00 C ATOM 165 CG LEU A 13 -2.468 -10.232 -2.872 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.320 -9.622 -2.083 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.510 -11.741 -2.675 1.00 0.00 C ATOM 0 H LEU A 13 -5.753 -8.286 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.224 -7.533 -2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.861 -9.612 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.607 -10.228 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.304 -10.028 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.382 -10.084 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.276 -8.550 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.478 -9.795 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.555 -12.174 -2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.697 -11.966 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.308 -12.165 -3.285 1.00 0.00 H new ATOM 179 N ASP A 14 -5.156 -8.623 -5.042 1.00 0.00 N ATOM 180 CA ASP A 14 -5.309 -8.642 -6.492 1.00 0.00 C ATOM 181 C ASP A 14 -5.180 -7.236 -7.070 1.00 0.00 C ATOM 182 O ASP A 14 -4.526 -7.032 -8.093 1.00 0.00 O ATOM 183 CB ASP A 14 -6.662 -9.242 -6.876 1.00 0.00 C ATOM 184 CG ASP A 14 -6.792 -9.470 -8.369 1.00 0.00 C ATOM 185 OD1 ASP A 14 -6.012 -10.278 -8.916 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.674 -8.842 -8.990 1.00 0.00 O ATOM 0 H ASP A 14 -5.946 -9.016 -4.529 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.515 -9.261 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.797 -10.189 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.459 -8.577 -6.542 1.00 0.00 H new ATOM 191 N TRP A 15 -5.809 -6.270 -6.409 1.00 0.00 N ATOM 192 CA TRP A 15 -5.766 -4.883 -6.859 1.00 0.00 C ATOM 193 C TRP A 15 -4.365 -4.303 -6.697 1.00 0.00 C ATOM 194 O TRP A 15 -3.734 -3.901 -7.675 1.00 0.00 O ATOM 195 CB TRP A 15 -6.774 -4.041 -6.076 1.00 0.00 C ATOM 196 CG TRP A 15 -6.692 -2.577 -6.386 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.284 -1.926 -7.431 1.00 0.00 C ATOM 198 CD2 TRP A 15 -5.976 -1.582 -5.646 1.00 0.00 C ATOM 199 NE1 TRP A 15 -6.978 -0.587 -7.385 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.178 -0.351 -6.298 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.185 -1.612 -4.494 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.617 0.837 -5.837 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.629 -0.433 -4.037 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.847 0.779 -4.707 1.00 0.00 C ATOM 0 H TRP A 15 -6.354 -6.422 -5.560 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.029 -4.860 -7.917 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.781 -4.396 -6.295 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.609 -4.189 -5.009 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.902 -2.395 -8.183 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.295 0.117 -8.052 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.012 -2.541 -3.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.784 1.771 -6.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -4.016 -0.445 -3.148 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.399 1.684 -4.324 1.00 0.00 H new ATOM 215 N CYS A 16 -3.886 -4.261 -5.459 1.00 0.00 N ATOM 216 CA CYS A 16 -2.559 -3.728 -5.171 1.00 0.00 C ATOM 217 C CYS A 16 -1.574 -4.093 -6.277 1.00 0.00 C ATOM 218 O CYS A 16 -0.852 -3.236 -6.786 1.00 0.00 O ATOM 219 CB CYS A 16 -2.055 -4.258 -3.828 1.00 0.00 C ATOM 220 SG CYS A 16 -2.868 -3.520 -2.391 1.00 0.00 S ATOM 0 H CYS A 16 -4.396 -4.589 -4.639 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.634 -2.642 -5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.199 -5.338 -3.799 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.982 -4.077 -3.758 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.499 -2.443 -2.755 1.00 0.00 H new ATOM 226 N ARG A 17 -1.550 -5.370 -6.643 1.00 0.00 N ATOM 227 CA ARG A 17 -0.652 -5.849 -7.687 1.00 0.00 C ATOM 228 C ARG A 17 -0.905 -5.115 -9.001 1.00 0.00 C ATOM 229 O ARG A 17 0.004 -4.516 -9.574 1.00 0.00 O ATOM 230 CB ARG A 17 -0.828 -7.355 -7.890 1.00 0.00 C ATOM 231 CG ARG A 17 -0.179 -8.196 -6.803 1.00 0.00 C ATOM 232 CD ARG A 17 -0.921 -9.506 -6.594 1.00 0.00 C ATOM 233 NE ARG A 17 -0.442 -10.556 -7.489 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.820 -11.826 -7.401 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.678 -12.202 -6.464 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.340 -12.723 -8.253 1.00 0.00 N ATOM 0 H ARG A 17 -2.142 -6.092 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 17 0.372 -5.649 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.893 -7.586 -7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.405 -7.635 -8.855 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.857 -8.402 -7.071 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.161 -7.634 -5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.802 -9.829 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.987 -9.349 -6.758 1.00 0.00 H new ATOM 0 HE ARG A 17 0.219 -10.300 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.050 -11.515 -5.808 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.967 -13.178 -6.399 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.320 -12.437 -8.976 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.631 -13.698 -8.185 1.00 0.00 H new ATOM 250 N ALA A 18 -2.147 -5.167 -9.472 1.00 0.00 N ATOM 251 CA ALA A 18 -2.520 -4.506 -10.717 1.00 0.00 C ATOM 252 C ALA A 18 -1.842 -3.146 -10.840 1.00 0.00 C ATOM 253 O ALA A 18 -1.232 -2.835 -11.863 1.00 0.00 O ATOM 254 CB ALA A 18 -4.031 -4.355 -10.801 1.00 0.00 C ATOM 0 H ALA A 18 -2.912 -5.660 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.182 -5.127 -11.546 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.296 -3.860 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.497 -5.340 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.384 -3.757 -9.961 1.00 0.00 H new ATOM 260 N LYS A 19 -1.955 -2.336 -9.792 1.00 0.00 N ATOM 261 CA LYS A 19 -1.353 -1.008 -9.783 1.00 0.00 C ATOM 262 C LYS A 19 0.163 -1.099 -9.640 1.00 0.00 C ATOM 263 O LYS A 19 0.901 -0.295 -10.212 1.00 0.00 O ATOM 264 CB LYS A 19 -1.933 -0.171 -8.641 1.00 0.00 C ATOM 265 CG LYS A 19 -3.449 -0.077 -8.666 1.00 0.00 C ATOM 266 CD LYS A 19 -3.932 0.843 -9.775 1.00 0.00 C ATOM 267 CE LYS A 19 -5.330 0.467 -10.242 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.042 1.624 -10.851 1.00 0.00 N ATOM 0 H LYS A 19 -2.458 -2.576 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.583 -0.526 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.620 -0.602 -7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.514 0.834 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.874 -1.071 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.808 0.291 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.931 1.874 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.241 0.794 -10.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.264 -0.342 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.906 0.090 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.991 1.326 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.128 2.387 -10.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.506 1.968 -11.673 1.00 0.00 H new ATOM 282 N THR A 20 0.624 -2.084 -8.875 1.00 0.00 N ATOM 283 CA THR A 20 2.051 -2.280 -8.659 1.00 0.00 C ATOM 284 C THR A 20 2.660 -3.147 -9.755 1.00 0.00 C ATOM 285 O THR A 20 3.630 -3.868 -9.522 1.00 0.00 O ATOM 286 CB THR A 20 2.328 -2.933 -7.291 1.00 0.00 C ATOM 287 OG1 THR A 20 1.479 -2.356 -6.292 1.00 0.00 O ATOM 288 CG2 THR A 20 3.784 -2.755 -6.891 1.00 0.00 C ATOM 0 H THR A 20 0.028 -2.759 -8.395 1.00 0.00 H new ATOM 0 HA THR A 20 2.512 -1.293 -8.683 1.00 0.00 H new ATOM 0 HB THR A 20 2.119 -4.000 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.661 -2.890 -6.209 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.955 -3.224 -5.922 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.426 -3.221 -7.638 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.016 -1.692 -6.825 1.00 0.00 H new ATOM 296 N ARG A 21 2.085 -3.071 -10.951 1.00 0.00 N ATOM 297 CA ARG A 21 2.571 -3.850 -12.083 1.00 0.00 C ATOM 298 C ARG A 21 3.673 -3.099 -12.826 1.00 0.00 C ATOM 299 O ARG A 21 3.713 -1.870 -12.821 1.00 0.00 O ATOM 300 CB ARG A 21 1.422 -4.169 -13.041 1.00 0.00 C ATOM 301 CG ARG A 21 0.621 -5.398 -12.643 1.00 0.00 C ATOM 302 CD ARG A 21 -0.556 -5.624 -13.580 1.00 0.00 C ATOM 303 NE ARG A 21 -0.183 -6.425 -14.742 1.00 0.00 N ATOM 304 CZ ARG A 21 0.351 -5.915 -15.846 1.00 0.00 C ATOM 305 NH1 ARG A 21 0.576 -4.612 -15.936 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.663 -6.710 -16.862 1.00 0.00 N ATOM 0 H ARG A 21 1.282 -2.478 -11.161 1.00 0.00 H new ATOM 0 HA ARG A 21 2.985 -4.783 -11.699 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.753 -3.310 -13.091 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.826 -4.317 -14.043 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.269 -6.275 -12.653 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.257 -5.282 -11.622 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.360 -6.123 -13.039 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.945 -4.662 -13.913 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.341 -7.432 -14.704 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.339 -3.998 -15.156 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.986 -4.223 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.493 -7.713 -16.795 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.073 -6.317 -17.709 1.00 0.00 H new ATOM 320 N GLY A 22 4.566 -3.850 -13.464 1.00 0.00 N ATOM 321 CA GLY A 22 5.656 -3.238 -14.202 1.00 0.00 C ATOM 322 C GLY A 22 6.841 -2.906 -13.317 1.00 0.00 C ATOM 323 O GLY A 22 7.989 -3.164 -13.681 1.00 0.00 O ATOM 0 H GLY A 22 4.554 -4.870 -13.483 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.977 -3.913 -14.996 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.299 -2.327 -14.683 1.00 0.00 H new ATOM 327 N TYR A 23 6.564 -2.332 -12.151 1.00 0.00 N ATOM 328 CA TYR A 23 7.617 -1.960 -11.213 1.00 0.00 C ATOM 329 C TYR A 23 8.628 -3.091 -11.053 1.00 0.00 C ATOM 330 O TYR A 23 8.282 -4.192 -10.626 1.00 0.00 O ATOM 331 CB TYR A 23 7.014 -1.604 -9.853 1.00 0.00 C ATOM 332 CG TYR A 23 6.215 -0.321 -9.863 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.845 0.915 -9.780 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.828 -0.343 -9.955 1.00 0.00 C ATOM 335 CE1 TYR A 23 6.119 2.089 -9.788 1.00 0.00 C ATOM 336 CE2 TYR A 23 4.094 0.827 -9.965 1.00 0.00 C ATOM 337 CZ TYR A 23 4.744 2.040 -9.880 1.00 0.00 C ATOM 338 OH TYR A 23 4.017 3.209 -9.890 1.00 0.00 O ATOM 0 H TYR A 23 5.620 -2.114 -11.833 1.00 0.00 H new ATOM 0 HA TYR A 23 8.135 -1.088 -11.613 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.371 -2.420 -9.525 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.817 -1.517 -9.121 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.922 0.958 -9.708 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.316 -1.291 -10.020 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.625 3.041 -9.723 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.017 0.792 -10.039 1.00 0.00 H new ATOM 0 HH TYR A 23 4.611 3.962 -10.091 1.00 0.00 H new ATOM 348 N GLU A 24 9.880 -2.810 -11.399 1.00 0.00 N ATOM 349 CA GLU A 24 10.943 -3.803 -11.295 1.00 0.00 C ATOM 350 C GLU A 24 11.335 -4.029 -9.837 1.00 0.00 C ATOM 351 O GLU A 24 11.143 -3.157 -8.989 1.00 0.00 O ATOM 352 CB GLU A 24 12.166 -3.361 -12.100 1.00 0.00 C ATOM 353 CG GLU A 24 13.168 -4.476 -12.347 1.00 0.00 C ATOM 354 CD GLU A 24 14.085 -4.187 -13.519 1.00 0.00 C ATOM 355 OE1 GLU A 24 13.594 -3.665 -14.542 1.00 0.00 O ATOM 356 OE2 GLU A 24 15.294 -4.484 -13.415 1.00 0.00 O ATOM 0 H GLU A 24 10.183 -1.903 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 24 10.569 -4.742 -11.703 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.835 -2.963 -13.059 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.663 -2.547 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.768 -4.626 -11.449 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.632 -5.407 -12.531 1.00 0.00 H new ATOM 363 N HIS A 25 11.883 -5.206 -9.554 1.00 0.00 N ATOM 364 CA HIS A 25 12.302 -5.548 -8.199 1.00 0.00 C ATOM 365 C HIS A 25 11.165 -5.325 -7.206 1.00 0.00 C ATOM 366 O HIS A 25 11.400 -5.038 -6.032 1.00 0.00 O ATOM 367 CB HIS A 25 13.519 -4.716 -7.794 1.00 0.00 C ATOM 368 CG HIS A 25 14.673 -4.842 -8.741 1.00 0.00 C ATOM 369 ND1 HIS A 25 15.185 -6.057 -9.146 1.00 0.00 N ATOM 370 CD2 HIS A 25 15.414 -3.897 -9.364 1.00 0.00 C ATOM 371 CE1 HIS A 25 16.192 -5.853 -9.976 1.00 0.00 C ATOM 372 NE2 HIS A 25 16.351 -4.551 -10.126 1.00 0.00 N ATOM 0 H HIS A 25 12.047 -5.939 -10.244 1.00 0.00 H new ATOM 0 HA HIS A 25 12.572 -6.604 -8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.227 -3.668 -7.728 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.842 -5.020 -6.798 1.00 0.00 H new ATOM 0 HD2 HIS A 25 15.292 -2.827 -9.278 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.785 -6.621 -10.451 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.055 -4.103 -10.713 1.00 0.00 H new ATOM 381 N VAL A 26 9.933 -5.457 -7.686 1.00 0.00 N ATOM 382 CA VAL A 26 8.760 -5.270 -6.840 1.00 0.00 C ATOM 383 C VAL A 26 7.705 -6.334 -7.120 1.00 0.00 C ATOM 384 O VAL A 26 7.265 -6.503 -8.258 1.00 0.00 O ATOM 385 CB VAL A 26 8.135 -3.877 -7.048 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.884 -3.721 -6.196 1.00 0.00 C ATOM 387 CG2 VAL A 26 9.146 -2.787 -6.729 1.00 0.00 C ATOM 0 H VAL A 26 9.721 -5.693 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 26 9.097 -5.359 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 26 7.848 -3.779 -8.095 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.456 -2.731 -6.356 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.155 -4.481 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.143 -3.839 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.688 -1.810 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.466 -2.880 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.010 -2.889 -7.386 1.00 0.00 H new ATOM 397 N ASP A 27 7.304 -7.050 -6.076 1.00 0.00 N ATOM 398 CA ASP A 27 6.299 -8.099 -6.208 1.00 0.00 C ATOM 399 C ASP A 27 5.446 -8.197 -4.947 1.00 0.00 C ATOM 400 O ASP A 27 5.959 -8.458 -3.858 1.00 0.00 O ATOM 401 CB ASP A 27 6.969 -9.444 -6.491 1.00 0.00 C ATOM 402 CG ASP A 27 7.979 -9.362 -7.619 1.00 0.00 C ATOM 403 OD1 ASP A 27 7.556 -9.209 -8.784 1.00 0.00 O ATOM 404 OD2 ASP A 27 9.192 -9.451 -7.337 1.00 0.00 O ATOM 0 H ASP A 27 7.659 -6.924 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 27 5.650 -7.842 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.466 -9.796 -5.587 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.206 -10.181 -6.743 1.00 0.00 H new ATOM 409 N ILE A 28 4.144 -7.985 -5.102 1.00 0.00 N ATOM 410 CA ILE A 28 3.220 -8.049 -3.976 1.00 0.00 C ATOM 411 C ILE A 28 2.424 -9.350 -3.992 1.00 0.00 C ATOM 412 O ILE A 28 1.331 -9.412 -4.555 1.00 0.00 O ATOM 413 CB ILE A 28 2.241 -6.860 -3.982 1.00 0.00 C ATOM 414 CG1 ILE A 28 3.011 -5.538 -3.952 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.290 -6.952 -2.798 1.00 0.00 C ATOM 416 CD1 ILE A 28 2.140 -4.327 -4.202 1.00 0.00 C ATOM 0 H ILE A 28 3.705 -7.767 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 28 3.824 -8.006 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 28 1.653 -6.896 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.497 -5.432 -2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.800 -5.569 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.604 -6.105 -2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.722 -7.880 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.862 -6.937 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.751 -3.425 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.674 -4.411 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.366 -4.271 -3.436 1.00 0.00 H new ATOM 428 N GLN A 29 2.978 -10.384 -3.368 1.00 0.00 N ATOM 429 CA GLN A 29 2.318 -11.683 -3.310 1.00 0.00 C ATOM 430 C GLN A 29 1.468 -11.806 -2.050 1.00 0.00 C ATOM 431 O GLN A 29 0.370 -12.361 -2.081 1.00 0.00 O ATOM 432 CB GLN A 29 3.354 -12.808 -3.352 1.00 0.00 C ATOM 433 CG GLN A 29 2.790 -14.136 -3.830 1.00 0.00 C ATOM 434 CD GLN A 29 3.852 -15.212 -3.948 1.00 0.00 C ATOM 435 OE1 GLN A 29 4.981 -15.040 -3.487 1.00 0.00 O ATOM 436 NE2 GLN A 29 3.495 -16.331 -4.567 1.00 0.00 N ATOM 0 H GLN A 29 3.881 -10.348 -2.896 1.00 0.00 H new ATOM 0 HA GLN A 29 1.664 -11.769 -4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.172 -12.513 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.776 -12.939 -2.356 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.017 -14.468 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.311 -13.995 -4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.549 -16.431 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.167 -17.090 -4.676 1.00 0.00 H new ATOM 445 N ASN A 30 1.983 -11.285 -0.941 1.00 0.00 N ATOM 446 CA ASN A 30 1.272 -11.337 0.331 1.00 0.00 C ATOM 447 C ASN A 30 1.717 -10.204 1.250 1.00 0.00 C ATOM 448 O ASN A 30 2.826 -9.683 1.120 1.00 0.00 O ATOM 449 CB ASN A 30 1.505 -12.685 1.015 1.00 0.00 C ATOM 450 CG ASN A 30 2.928 -13.182 0.842 1.00 0.00 C ATOM 451 OD1 ASN A 30 3.164 -14.215 0.215 1.00 0.00 O ATOM 452 ND2 ASN A 30 3.883 -12.447 1.399 1.00 0.00 N ATOM 0 H ASN A 30 2.891 -10.822 -0.898 1.00 0.00 H new ATOM 0 HA ASN A 30 0.207 -11.219 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.281 -12.594 2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.813 -13.421 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.859 -12.731 1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.641 -11.598 1.910 1.00 0.00 H new ATOM 459 N PHE A 31 0.846 -9.827 2.181 1.00 0.00 N ATOM 460 CA PHE A 31 1.149 -8.756 3.122 1.00 0.00 C ATOM 461 C PHE A 31 1.988 -9.275 4.286 1.00 0.00 C ATOM 462 O PHE A 31 1.730 -8.951 5.445 1.00 0.00 O ATOM 463 CB PHE A 31 -0.144 -8.131 3.650 1.00 0.00 C ATOM 464 CG PHE A 31 -1.148 -7.833 2.573 1.00 0.00 C ATOM 465 CD1 PHE A 31 -1.075 -6.656 1.845 1.00 0.00 C ATOM 466 CD2 PHE A 31 -2.166 -8.729 2.290 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.997 -6.379 0.854 1.00 0.00 C ATOM 468 CE2 PHE A 31 -3.091 -8.458 1.300 1.00 0.00 C ATOM 469 CZ PHE A 31 -3.007 -7.281 0.581 1.00 0.00 C ATOM 0 H PHE A 31 -0.075 -10.248 2.303 1.00 0.00 H new ATOM 0 HA PHE A 31 1.723 -7.995 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.594 -8.806 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.097 -7.208 4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.288 -5.947 2.055 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.237 -9.650 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.928 -5.458 0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.879 -9.166 1.088 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.729 -7.067 -0.193 1.00 0.00 H new ATOM 479 N SER A 32 2.993 -10.085 3.968 1.00 0.00 N ATOM 480 CA SER A 32 3.868 -10.654 4.987 1.00 0.00 C ATOM 481 C SER A 32 5.304 -10.176 4.799 1.00 0.00 C ATOM 482 O SER A 32 5.854 -9.477 5.650 1.00 0.00 O ATOM 483 CB SER A 32 3.816 -12.182 4.938 1.00 0.00 C ATOM 484 OG SER A 32 4.204 -12.746 6.179 1.00 0.00 O ATOM 0 H SER A 32 3.222 -10.362 3.013 1.00 0.00 H new ATOM 0 HA SER A 32 3.517 -10.317 5.962 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.806 -12.507 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.473 -12.546 4.148 1.00 0.00 H new ATOM 0 HG SER A 32 4.161 -13.723 6.122 1.00 0.00 H new ATOM 490 N SER A 33 5.906 -10.558 3.677 1.00 0.00 N ATOM 491 CA SER A 33 7.280 -10.172 3.377 1.00 0.00 C ATOM 492 C SER A 33 7.398 -9.648 1.949 1.00 0.00 C ATOM 493 O SER A 33 8.376 -9.922 1.254 1.00 0.00 O ATOM 494 CB SER A 33 8.221 -11.362 3.574 1.00 0.00 C ATOM 495 OG SER A 33 8.068 -11.925 4.866 1.00 0.00 O ATOM 0 H SER A 33 5.464 -11.134 2.961 1.00 0.00 H new ATOM 0 HA SER A 33 7.565 -9.374 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.017 -12.120 2.817 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.253 -11.041 3.434 1.00 0.00 H new ATOM 0 HG SER A 33 8.674 -12.689 4.964 1.00 0.00 H new ATOM 501 N SER A 34 6.393 -8.892 1.518 1.00 0.00 N ATOM 502 CA SER A 34 6.380 -8.331 0.172 1.00 0.00 C ATOM 503 C SER A 34 6.565 -6.817 0.213 1.00 0.00 C ATOM 504 O SER A 34 6.678 -6.167 -0.827 1.00 0.00 O ATOM 505 CB SER A 34 5.069 -8.678 -0.535 1.00 0.00 C ATOM 506 OG SER A 34 4.053 -7.743 -0.213 1.00 0.00 O ATOM 0 H SER A 34 5.577 -8.654 2.082 1.00 0.00 H new ATOM 0 HA SER A 34 7.210 -8.766 -0.385 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.226 -8.692 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.751 -9.680 -0.246 1.00 0.00 H new ATOM 0 HG SER A 34 4.151 -7.462 0.721 1.00 0.00 H new ATOM 512 N TRP A 35 6.595 -6.264 1.419 1.00 0.00 N ATOM 513 CA TRP A 35 6.766 -4.826 1.596 1.00 0.00 C ATOM 514 C TRP A 35 8.028 -4.522 2.396 1.00 0.00 C ATOM 515 O TRP A 35 8.628 -3.458 2.246 1.00 0.00 O ATOM 516 CB TRP A 35 5.545 -4.229 2.299 1.00 0.00 C ATOM 517 CG TRP A 35 4.242 -4.678 1.710 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.695 -5.927 1.787 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.325 -3.882 0.952 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.492 -5.955 1.123 1.00 0.00 N ATOM 521 CE2 TRP A 35 2.242 -4.713 0.602 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.312 -2.548 0.536 1.00 0.00 C ATOM 523 CZ2 TRP A 35 1.161 -4.251 -0.143 1.00 0.00 C ATOM 524 CZ3 TRP A 35 2.238 -2.092 -0.204 1.00 0.00 C ATOM 525 CH2 TRP A 35 1.174 -2.941 -0.537 1.00 0.00 C ATOM 0 H TRP A 35 6.503 -6.788 2.289 1.00 0.00 H new ATOM 0 HA TRP A 35 6.866 -4.373 0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.572 -4.503 3.354 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.602 -3.142 2.250 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.142 -6.769 2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.884 -6.769 1.033 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.127 -1.885 0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.340 -4.904 -0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.218 -1.063 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.348 -2.554 -1.116 1.00 0.00 H new ATOM 536 N SER A 36 8.425 -5.463 3.247 1.00 0.00 N ATOM 537 CA SER A 36 9.614 -5.294 4.073 1.00 0.00 C ATOM 538 C SER A 36 10.707 -4.553 3.308 1.00 0.00 C ATOM 539 O SER A 36 11.364 -3.664 3.848 1.00 0.00 O ATOM 540 CB SER A 36 10.135 -6.655 4.539 1.00 0.00 C ATOM 541 OG SER A 36 11.218 -6.505 5.441 1.00 0.00 O ATOM 0 H SER A 36 7.940 -6.350 3.382 1.00 0.00 H new ATOM 0 HA SER A 36 9.339 -4.700 4.945 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.330 -7.210 5.021 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.454 -7.240 3.677 1.00 0.00 H new ATOM 0 HG SER A 36 11.251 -7.277 6.043 1.00 0.00 H new ATOM 547 N ASP A 37 10.894 -4.927 2.047 1.00 0.00 N ATOM 548 CA ASP A 37 11.906 -4.299 1.206 1.00 0.00 C ATOM 549 C ASP A 37 11.780 -2.779 1.247 1.00 0.00 C ATOM 550 O ASP A 37 12.705 -2.080 1.658 1.00 0.00 O ATOM 551 CB ASP A 37 11.780 -4.794 -0.236 1.00 0.00 C ATOM 552 CG ASP A 37 10.345 -4.799 -0.723 1.00 0.00 C ATOM 553 OD1 ASP A 37 9.891 -3.758 -1.245 1.00 0.00 O ATOM 554 OD2 ASP A 37 9.675 -5.844 -0.584 1.00 0.00 O ATOM 0 H ASP A 37 10.358 -5.662 1.585 1.00 0.00 H new ATOM 0 HA ASP A 37 12.887 -4.575 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.380 -4.160 -0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.189 -5.802 -0.308 1.00 0.00 H new ATOM 559 N GLY A 38 10.627 -2.274 0.818 1.00 0.00 N ATOM 560 CA GLY A 38 10.402 -0.840 0.813 1.00 0.00 C ATOM 561 C GLY A 38 9.787 -0.354 -0.485 1.00 0.00 C ATOM 562 O GLY A 38 8.732 0.279 -0.480 1.00 0.00 O ATOM 0 H GLY A 38 9.845 -2.832 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.747 -0.575 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.349 -0.326 0.978 1.00 0.00 H new ATOM 566 N MET A 39 10.449 -0.650 -1.598 1.00 0.00 N ATOM 567 CA MET A 39 9.960 -0.238 -2.909 1.00 0.00 C ATOM 568 C MET A 39 8.465 -0.510 -3.043 1.00 0.00 C ATOM 569 O MET A 39 7.722 0.308 -3.584 1.00 0.00 O ATOM 570 CB MET A 39 10.724 -0.969 -4.015 1.00 0.00 C ATOM 571 CG MET A 39 12.141 -0.456 -4.216 1.00 0.00 C ATOM 572 SD MET A 39 12.909 -1.107 -5.712 1.00 0.00 S ATOM 573 CE MET A 39 13.407 0.409 -6.525 1.00 0.00 C ATOM 0 H MET A 39 11.324 -1.173 -1.619 1.00 0.00 H new ATOM 0 HA MET A 39 10.126 0.835 -3.010 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.761 -2.032 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.174 -0.870 -4.951 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.126 0.633 -4.264 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.748 -0.728 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.976 0.170 -7.423 1.00 0.00 H new ATOM 0 HE2 MET A 39 12.522 0.983 -6.798 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.027 0.998 -5.849 1.00 0.00 H new ATOM 583 N ALA A 40 8.032 -1.664 -2.546 1.00 0.00 N ATOM 584 CA ALA A 40 6.626 -2.042 -2.609 1.00 0.00 C ATOM 585 C ALA A 40 5.722 -0.825 -2.441 1.00 0.00 C ATOM 586 O ALA A 40 5.018 -0.430 -3.370 1.00 0.00 O ATOM 587 CB ALA A 40 6.312 -3.085 -1.546 1.00 0.00 C ATOM 0 H ALA A 40 8.635 -2.353 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 40 6.435 -2.471 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.258 -3.358 -1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.926 -3.970 -1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.526 -2.675 -0.559 1.00 0.00 H new ATOM 593 N PHE A 41 5.746 -0.236 -1.250 1.00 0.00 N ATOM 594 CA PHE A 41 4.927 0.935 -0.960 1.00 0.00 C ATOM 595 C PHE A 41 5.097 1.999 -2.041 1.00 0.00 C ATOM 596 O PHE A 41 4.122 2.447 -2.645 1.00 0.00 O ATOM 597 CB PHE A 41 5.296 1.516 0.406 1.00 0.00 C ATOM 598 CG PHE A 41 4.688 0.769 1.559 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.401 1.054 1.985 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.405 -0.218 2.217 1.00 0.00 C ATOM 601 CE1 PHE A 41 2.839 0.368 3.046 1.00 0.00 C ATOM 602 CE2 PHE A 41 4.848 -0.907 3.277 1.00 0.00 C ATOM 603 CZ PHE A 41 3.564 -0.613 3.693 1.00 0.00 C ATOM 0 H PHE A 41 6.324 -0.550 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 41 3.883 0.622 -0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.381 1.512 0.513 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.975 2.557 0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.830 1.821 1.483 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.410 -0.451 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.834 0.599 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.416 -1.675 3.780 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.128 -1.149 4.523 1.00 0.00 H new ATOM 613 N CYS A 42 6.342 2.399 -2.277 1.00 0.00 N ATOM 614 CA CYS A 42 6.641 3.411 -3.284 1.00 0.00 C ATOM 615 C CYS A 42 5.896 3.124 -4.583 1.00 0.00 C ATOM 616 O CYS A 42 5.105 3.943 -5.050 1.00 0.00 O ATOM 617 CB CYS A 42 8.147 3.468 -3.547 1.00 0.00 C ATOM 618 SG CYS A 42 9.084 4.360 -2.283 1.00 0.00 S ATOM 0 H CYS A 42 7.160 2.038 -1.785 1.00 0.00 H new ATOM 0 HA CYS A 42 6.309 4.377 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.531 2.450 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.319 3.942 -4.513 1.00 0.00 H new ATOM 0 HG CYS A 42 8.694 3.978 -1.103 1.00 0.00 H new ATOM 624 N ALA A 43 6.155 1.956 -5.162 1.00 0.00 N ATOM 625 CA ALA A 43 5.509 1.560 -6.407 1.00 0.00 C ATOM 626 C ALA A 43 3.994 1.710 -6.311 1.00 0.00 C ATOM 627 O ALA A 43 3.359 2.284 -7.196 1.00 0.00 O ATOM 628 CB ALA A 43 5.878 0.127 -6.761 1.00 0.00 C ATOM 0 H ALA A 43 6.808 1.267 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 43 5.864 2.221 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.388 -0.155 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.959 0.048 -6.881 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.552 -0.540 -5.963 1.00 0.00 H new ATOM 634 N LEU A 44 3.421 1.190 -5.231 1.00 0.00 N ATOM 635 CA LEU A 44 1.979 1.265 -5.020 1.00 0.00 C ATOM 636 C LEU A 44 1.495 2.710 -5.080 1.00 0.00 C ATOM 637 O LEU A 44 0.518 3.021 -5.762 1.00 0.00 O ATOM 638 CB LEU A 44 1.609 0.647 -3.670 1.00 0.00 C ATOM 639 CG LEU A 44 0.124 0.672 -3.305 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.625 -0.429 -4.041 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.058 0.530 -1.801 1.00 0.00 C ATOM 0 H LEU A 44 3.932 0.712 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 44 1.490 0.704 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.947 -0.389 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.163 1.169 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.290 1.633 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.680 -0.396 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.523 -0.283 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.210 -1.398 -3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.121 0.550 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.372 -0.416 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.445 1.354 -1.294 1.00 0.00 H new ATOM 653 N VAL A 45 2.185 3.591 -4.363 1.00 0.00 N ATOM 654 CA VAL A 45 1.828 5.004 -4.337 1.00 0.00 C ATOM 655 C VAL A 45 2.074 5.658 -5.692 1.00 0.00 C ATOM 656 O VAL A 45 1.141 6.122 -6.348 1.00 0.00 O ATOM 657 CB VAL A 45 2.624 5.765 -3.260 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.254 7.240 -3.265 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.384 5.152 -1.889 1.00 0.00 C ATOM 0 H VAL A 45 2.995 3.351 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 45 0.766 5.057 -4.098 1.00 0.00 H new ATOM 0 HB VAL A 45 3.686 5.681 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.826 7.761 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.481 7.669 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.189 7.349 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.954 5.702 -1.140 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.322 5.204 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.704 4.110 -1.895 1.00 0.00 H new ATOM 669 N HIS A 46 3.337 5.691 -6.106 1.00 0.00 N ATOM 670 CA HIS A 46 3.707 6.288 -7.385 1.00 0.00 C ATOM 671 C HIS A 46 2.615 6.060 -8.426 1.00 0.00 C ATOM 672 O HIS A 46 2.246 6.974 -9.163 1.00 0.00 O ATOM 673 CB HIS A 46 5.031 5.705 -7.880 1.00 0.00 C ATOM 674 CG HIS A 46 5.539 6.352 -9.131 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.182 5.931 -10.395 1.00 0.00 N ATOM 676 CD2 HIS A 46 6.382 7.396 -9.308 1.00 0.00 C ATOM 677 CE1 HIS A 46 5.784 6.687 -11.295 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.518 7.585 -10.662 1.00 0.00 N ATOM 0 H HIS A 46 4.121 5.312 -5.575 1.00 0.00 H new ATOM 0 HA HIS A 46 3.825 7.361 -7.237 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.781 5.810 -7.096 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.904 4.637 -8.059 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.859 7.973 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.692 6.588 -12.367 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.092 8.302 -11.106 1.00 0.00 H new ATOM 687 N ASN A 47 2.104 4.834 -8.482 1.00 0.00 N ATOM 688 CA ASN A 47 1.056 4.486 -9.435 1.00 0.00 C ATOM 689 C ASN A 47 -0.065 5.520 -9.412 1.00 0.00 C ATOM 690 O ASN A 47 -0.498 6.006 -10.457 1.00 0.00 O ATOM 691 CB ASN A 47 0.493 3.098 -9.120 1.00 0.00 C ATOM 692 CG ASN A 47 -0.115 2.431 -10.339 1.00 0.00 C ATOM 693 OD1 ASN A 47 0.599 1.908 -11.195 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.440 2.448 -10.423 1.00 0.00 N ATOM 0 H ASN A 47 2.398 4.066 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 47 1.495 4.475 -10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.289 2.468 -8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -0.264 3.184 -8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.906 2.016 -11.221 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.992 2.893 -9.690 1.00 0.00 H new ATOM 701 N PHE A 48 -0.532 5.852 -8.212 1.00 0.00 N ATOM 702 CA PHE A 48 -1.604 6.827 -8.052 1.00 0.00 C ATOM 703 C PHE A 48 -1.113 8.233 -8.386 1.00 0.00 C ATOM 704 O PHE A 48 -1.678 8.912 -9.244 1.00 0.00 O ATOM 705 CB PHE A 48 -2.147 6.790 -6.622 1.00 0.00 C ATOM 706 CG PHE A 48 -2.153 5.415 -6.019 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.740 4.353 -6.689 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.573 5.183 -4.783 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.749 3.087 -6.136 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.578 3.918 -4.225 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.166 2.868 -4.903 1.00 0.00 C ATOM 0 H PHE A 48 -0.184 5.460 -7.337 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.405 6.567 -8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.546 7.450 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.163 7.185 -6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.196 4.517 -7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.111 6.000 -4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.212 2.269 -6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.123 3.751 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.170 1.878 -4.470 1.00 0.00 H new ATOM 721 N PHE A 49 -0.060 8.664 -7.700 1.00 0.00 N ATOM 722 CA PHE A 49 0.507 9.990 -7.922 1.00 0.00 C ATOM 723 C PHE A 49 1.964 9.891 -8.365 1.00 0.00 C ATOM 724 O PHE A 49 2.889 9.934 -7.554 1.00 0.00 O ATOM 725 CB PHE A 49 0.405 10.830 -6.647 1.00 0.00 C ATOM 726 CG PHE A 49 -0.923 10.712 -5.956 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.157 9.695 -5.045 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.938 11.618 -6.217 1.00 0.00 C ATOM 729 CE1 PHE A 49 -2.377 9.583 -4.406 1.00 0.00 C ATOM 730 CE2 PHE A 49 -3.161 11.512 -5.582 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.381 10.493 -4.676 1.00 0.00 C ATOM 0 H PHE A 49 0.418 8.115 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.063 10.474 -8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.193 10.526 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.585 11.876 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.376 8.980 -4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.772 12.416 -6.925 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.545 8.786 -3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.944 12.225 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.336 10.408 -4.179 1.00 0.00 H new ATOM 741 N PRO A 50 2.173 9.756 -9.683 1.00 0.00 N ATOM 742 CA PRO A 50 3.514 9.649 -10.265 1.00 0.00 C ATOM 743 C PRO A 50 4.291 10.959 -10.176 1.00 0.00 C ATOM 744 O PRO A 50 5.487 10.962 -9.891 1.00 0.00 O ATOM 745 CB PRO A 50 3.239 9.288 -11.726 1.00 0.00 C ATOM 746 CG PRO A 50 1.876 9.823 -11.999 1.00 0.00 C ATOM 747 CD PRO A 50 1.116 9.698 -10.707 1.00 0.00 C ATOM 0 HA PRO A 50 4.129 8.918 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.980 9.734 -12.390 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.280 8.210 -11.882 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.923 10.862 -12.325 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.388 9.260 -12.795 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.394 10.506 -10.586 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.559 8.762 -10.657 1.00 0.00 H new ATOM 755 N GLU A 51 3.601 12.068 -10.422 1.00 0.00 N ATOM 756 CA GLU A 51 4.227 13.384 -10.370 1.00 0.00 C ATOM 757 C GLU A 51 4.635 13.736 -8.943 1.00 0.00 C ATOM 758 O GLU A 51 5.664 14.373 -8.719 1.00 0.00 O ATOM 759 CB GLU A 51 3.275 14.449 -10.918 1.00 0.00 C ATOM 760 CG GLU A 51 1.937 14.495 -10.201 1.00 0.00 C ATOM 761 CD GLU A 51 1.226 15.823 -10.379 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.490 16.749 -9.585 1.00 0.00 O ATOM 763 OE2 GLU A 51 0.404 15.935 -11.313 1.00 0.00 O ATOM 0 H GLU A 51 2.609 12.082 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 51 5.123 13.356 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.753 15.426 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.104 14.261 -11.978 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.301 13.693 -10.575 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.092 14.309 -9.138 1.00 0.00 H new ATOM 770 N ALA A 52 3.819 13.318 -7.980 1.00 0.00 N ATOM 771 CA ALA A 52 4.095 13.588 -6.575 1.00 0.00 C ATOM 772 C ALA A 52 5.556 13.310 -6.238 1.00 0.00 C ATOM 773 O ALA A 52 6.161 14.011 -5.428 1.00 0.00 O ATOM 774 CB ALA A 52 3.179 12.756 -5.688 1.00 0.00 C ATOM 0 H ALA A 52 2.962 12.791 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 52 3.902 14.645 -6.389 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.396 12.968 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.140 13.007 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.344 11.697 -5.886 1.00 0.00 H new ATOM 780 N PHE A 53 6.117 12.281 -6.865 1.00 0.00 N ATOM 781 CA PHE A 53 7.507 11.908 -6.630 1.00 0.00 C ATOM 782 C PHE A 53 8.006 10.959 -7.716 1.00 0.00 C ATOM 783 O PHE A 53 7.260 10.112 -8.206 1.00 0.00 O ATOM 784 CB PHE A 53 7.657 11.254 -5.256 1.00 0.00 C ATOM 785 CG PHE A 53 7.165 9.836 -5.210 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.808 9.558 -5.257 1.00 0.00 C ATOM 787 CD2 PHE A 53 8.058 8.781 -5.121 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.353 8.253 -5.214 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.609 7.474 -5.079 1.00 0.00 C ATOM 790 CZ PHE A 53 6.254 7.210 -5.126 1.00 0.00 C ATOM 0 H PHE A 53 5.630 11.691 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 53 8.111 12.815 -6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.707 11.275 -4.965 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.110 11.844 -4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.099 10.369 -5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.119 8.982 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.293 8.049 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.316 6.661 -5.010 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.900 6.190 -5.094 1.00 0.00 H new ATOM 800 N ASP A 54 9.273 11.108 -8.086 1.00 0.00 N ATOM 801 CA ASP A 54 9.874 10.264 -9.113 1.00 0.00 C ATOM 802 C ASP A 54 10.230 8.892 -8.548 1.00 0.00 C ATOM 803 O ASP A 54 10.768 8.783 -7.446 1.00 0.00 O ATOM 804 CB ASP A 54 11.124 10.933 -9.686 1.00 0.00 C ATOM 805 CG ASP A 54 10.816 12.259 -10.353 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.237 13.140 -9.684 1.00 0.00 O ATOM 807 OD2 ASP A 54 11.153 12.416 -11.546 1.00 0.00 O ATOM 0 H ASP A 54 9.904 11.805 -7.690 1.00 0.00 H new ATOM 0 HA ASP A 54 9.145 10.131 -9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.847 11.091 -8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.591 10.265 -10.410 1.00 0.00 H new ATOM 812 N TYR A 55 9.925 7.847 -9.311 1.00 0.00 N ATOM 813 CA TYR A 55 10.210 6.482 -8.886 1.00 0.00 C ATOM 814 C TYR A 55 11.648 6.097 -9.217 1.00 0.00 C ATOM 815 O TYR A 55 12.441 5.788 -8.328 1.00 0.00 O ATOM 816 CB TYR A 55 9.242 5.505 -9.554 1.00 0.00 C ATOM 817 CG TYR A 55 9.553 4.053 -9.270 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.259 3.489 -8.034 1.00 0.00 C ATOM 819 CD2 TYR A 55 10.142 3.246 -10.235 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.543 2.163 -7.769 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.428 1.919 -9.979 1.00 0.00 C ATOM 822 CZ TYR A 55 10.127 1.382 -8.745 1.00 0.00 C ATOM 823 OH TYR A 55 10.411 0.061 -8.486 1.00 0.00 O ATOM 0 H TYR A 55 9.481 7.920 -10.226 1.00 0.00 H new ATOM 0 HA TYR A 55 10.079 6.431 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.229 5.723 -9.217 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.261 5.668 -10.632 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.801 4.097 -7.268 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.380 3.663 -11.202 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.309 1.740 -6.803 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.885 1.305 -10.741 1.00 0.00 H new ATOM 0 HH TYR A 55 10.819 -0.347 -9.278 1.00 0.00 H new ATOM 833 N GLY A 56 11.979 6.119 -10.505 1.00 0.00 N ATOM 834 CA GLY A 56 13.321 5.771 -10.933 1.00 0.00 C ATOM 835 C GLY A 56 14.389 6.430 -10.083 1.00 0.00 C ATOM 836 O GLY A 56 15.486 5.894 -9.929 1.00 0.00 O ATOM 0 H GLY A 56 11.341 6.372 -11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.444 4.689 -10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.455 6.066 -11.974 1.00 0.00 H new ATOM 840 N GLN A 57 14.069 7.597 -9.533 1.00 0.00 N ATOM 841 CA GLN A 57 15.012 8.331 -8.697 1.00 0.00 C ATOM 842 C GLN A 57 15.341 7.547 -7.430 1.00 0.00 C ATOM 843 O GLN A 57 16.485 7.534 -6.975 1.00 0.00 O ATOM 844 CB GLN A 57 14.440 9.701 -8.329 1.00 0.00 C ATOM 845 CG GLN A 57 14.593 10.739 -9.428 1.00 0.00 C ATOM 846 CD GLN A 57 15.928 11.456 -9.372 1.00 0.00 C ATOM 847 OE1 GLN A 57 16.821 11.071 -8.617 1.00 0.00 O ATOM 848 NE2 GLN A 57 16.071 12.506 -10.172 1.00 0.00 N ATOM 0 H GLN A 57 13.165 8.054 -9.651 1.00 0.00 H new ATOM 0 HA GLN A 57 15.932 8.470 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.382 9.591 -8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.936 10.062 -7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.486 10.254 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.789 11.470 -9.347 1.00 0.00 H new ATOM 0 HE21 GLN A 57 15.305 12.791 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.947 13.028 -10.177 1.00 0.00 H new ATOM 857 N LEU A 58 14.330 6.895 -6.865 1.00 0.00 N ATOM 858 CA LEU A 58 14.512 6.109 -5.650 1.00 0.00 C ATOM 859 C LEU A 58 15.382 4.885 -5.918 1.00 0.00 C ATOM 860 O LEU A 58 15.718 4.589 -7.065 1.00 0.00 O ATOM 861 CB LEU A 58 13.155 5.672 -5.094 1.00 0.00 C ATOM 862 CG LEU A 58 12.151 6.792 -4.817 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.744 6.229 -4.694 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.535 7.553 -3.557 1.00 0.00 C ATOM 0 H LEU A 58 13.377 6.895 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 58 15.015 6.735 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.704 4.973 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.324 5.125 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 58 12.170 7.487 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.043 7.040 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.469 5.730 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.709 5.512 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.810 8.346 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.545 6.869 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.526 7.990 -3.683 1.00 0.00 H new ATOM 876 N SER A 59 15.742 4.176 -4.853 1.00 0.00 N ATOM 877 CA SER A 59 16.575 2.985 -4.973 1.00 0.00 C ATOM 878 C SER A 59 16.071 1.875 -4.055 1.00 0.00 C ATOM 879 O SER A 59 15.464 2.124 -3.013 1.00 0.00 O ATOM 880 CB SER A 59 18.030 3.318 -4.638 1.00 0.00 C ATOM 881 OG SER A 59 18.629 4.081 -5.670 1.00 0.00 O ATOM 0 H SER A 59 15.470 4.406 -3.897 1.00 0.00 H new ATOM 0 HA SER A 59 16.518 2.635 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 59 18.073 3.872 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.592 2.396 -4.490 1.00 0.00 H new ATOM 0 HG SER A 59 19.558 4.282 -5.431 1.00 0.00 H new ATOM 887 N PRO A 60 16.327 0.620 -4.451 1.00 0.00 N ATOM 888 CA PRO A 60 15.909 -0.555 -3.679 1.00 0.00 C ATOM 889 C PRO A 60 16.690 -0.700 -2.377 1.00 0.00 C ATOM 890 O PRO A 60 16.120 -1.016 -1.333 1.00 0.00 O ATOM 891 CB PRO A 60 16.214 -1.724 -4.619 1.00 0.00 C ATOM 892 CG PRO A 60 17.299 -1.223 -5.507 1.00 0.00 C ATOM 893 CD PRO A 60 17.046 0.249 -5.681 1.00 0.00 C ATOM 0 HA PRO A 60 14.863 -0.494 -3.378 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.533 -2.606 -4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.333 -2.010 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.279 -1.401 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.286 -1.737 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.977 0.807 -5.786 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.450 0.452 -6.571 1.00 0.00 H new ATOM 901 N GLN A 61 17.997 -0.468 -2.447 1.00 0.00 N ATOM 902 CA GLN A 61 18.855 -0.574 -1.273 1.00 0.00 C ATOM 903 C GLN A 61 18.294 0.242 -0.113 1.00 0.00 C ATOM 904 O GLN A 61 18.488 -0.102 1.052 1.00 0.00 O ATOM 905 CB GLN A 61 20.271 -0.103 -1.606 1.00 0.00 C ATOM 906 CG GLN A 61 21.281 -0.387 -0.506 1.00 0.00 C ATOM 907 CD GLN A 61 22.458 0.569 -0.533 1.00 0.00 C ATOM 908 OE1 GLN A 61 22.447 1.565 -1.257 1.00 0.00 O ATOM 909 NE2 GLN A 61 23.482 0.270 0.258 1.00 0.00 N ATOM 0 H GLN A 61 18.484 -0.206 -3.304 1.00 0.00 H new ATOM 0 HA GLN A 61 18.890 -1.621 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.600 -0.589 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.252 0.969 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 61 20.786 -0.320 0.463 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.646 -1.409 -0.608 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.449 -0.566 0.842 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.302 0.876 0.282 1.00 0.00 H new ATOM 918 N ASN A 62 17.598 1.326 -0.441 1.00 0.00 N ATOM 919 CA ASN A 62 17.010 2.193 0.574 1.00 0.00 C ATOM 920 C ASN A 62 15.812 1.519 1.236 1.00 0.00 C ATOM 921 O ASN A 62 14.721 1.470 0.667 1.00 0.00 O ATOM 922 CB ASN A 62 16.581 3.523 -0.048 1.00 0.00 C ATOM 923 CG ASN A 62 17.685 4.562 -0.007 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.321 4.768 1.027 1.00 0.00 O ATOM 925 ND2 ASN A 62 17.918 5.223 -1.135 1.00 0.00 N ATOM 0 H ASN A 62 17.427 1.625 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 62 17.766 2.383 1.336 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.280 3.357 -1.082 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.707 3.904 0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.649 5.934 -1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.366 5.020 -1.969 1.00 0.00 H new ATOM 932 N ARG A 63 16.023 1.002 2.442 1.00 0.00 N ATOM 933 CA ARG A 63 14.961 0.330 3.182 1.00 0.00 C ATOM 934 C ARG A 63 14.033 1.346 3.843 1.00 0.00 C ATOM 935 O ARG A 63 12.812 1.263 3.712 1.00 0.00 O ATOM 936 CB ARG A 63 15.556 -0.598 4.242 1.00 0.00 C ATOM 937 CG ARG A 63 16.496 -1.649 3.672 1.00 0.00 C ATOM 938 CD ARG A 63 17.577 -2.029 4.672 1.00 0.00 C ATOM 939 NE ARG A 63 18.745 -1.157 4.573 1.00 0.00 N ATOM 940 CZ ARG A 63 19.718 -1.330 3.686 1.00 0.00 C ATOM 941 NH1 ARG A 63 19.664 -2.337 2.825 1.00 0.00 N ATOM 942 NH2 ARG A 63 20.748 -0.494 3.658 1.00 0.00 N ATOM 0 H ARG A 63 16.919 1.035 2.928 1.00 0.00 H new ATOM 0 HA ARG A 63 14.380 -0.263 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.096 0.001 4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.745 -1.097 4.773 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.927 -2.536 3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 63 16.959 -1.270 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.171 -1.978 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.880 -3.062 4.503 1.00 0.00 H new ATOM 0 HE ARG A 63 18.817 -0.372 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 63 18.874 -2.981 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.413 -2.467 2.145 1.00 0.00 H new ATOM 0 HH21 ARG A 63 20.793 0.282 4.318 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.495 -0.628 2.976 1.00 0.00 H new ATOM 956 N ARG A 64 14.622 2.302 4.554 1.00 0.00 N ATOM 957 CA ARG A 64 13.849 3.332 5.237 1.00 0.00 C ATOM 958 C ARG A 64 13.224 4.298 4.234 1.00 0.00 C ATOM 959 O ARG A 64 12.004 4.339 4.076 1.00 0.00 O ATOM 960 CB ARG A 64 14.737 4.101 6.217 1.00 0.00 C ATOM 961 CG ARG A 64 14.005 5.202 6.967 1.00 0.00 C ATOM 962 CD ARG A 64 13.228 4.647 8.151 1.00 0.00 C ATOM 963 NE ARG A 64 12.722 5.707 9.018 1.00 0.00 N ATOM 964 CZ ARG A 64 13.469 6.346 9.911 1.00 0.00 C ATOM 965 NH1 ARG A 64 14.750 6.034 10.053 1.00 0.00 N ATOM 966 NH2 ARG A 64 12.936 7.299 10.664 1.00 0.00 N ATOM 0 H ARG A 64 15.632 2.385 4.672 1.00 0.00 H new ATOM 0 HA ARG A 64 13.048 2.842 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.159 3.401 6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.572 4.539 5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.722 5.945 7.317 1.00 0.00 H new ATOM 0 HG3 ARG A 64 13.322 5.713 6.289 1.00 0.00 H new ATOM 0 HD2 ARG A 64 12.394 4.046 7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.872 3.983 8.728 1.00 0.00 H new ATOM 0 HE ARG A 64 11.741 5.971 8.933 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.164 5.302 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.322 6.526 10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.951 7.542 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.511 7.789 11.349 1.00 0.00 H new ATOM 980 N GLN A 65 14.069 5.072 3.561 1.00 0.00 N ATOM 981 CA GLN A 65 13.599 6.038 2.575 1.00 0.00 C ATOM 982 C GLN A 65 12.373 5.510 1.837 1.00 0.00 C ATOM 983 O GLN A 65 11.301 6.111 1.885 1.00 0.00 O ATOM 984 CB GLN A 65 14.711 6.360 1.575 1.00 0.00 C ATOM 985 CG GLN A 65 14.564 7.724 0.921 1.00 0.00 C ATOM 986 CD GLN A 65 15.896 8.319 0.506 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.796 8.488 1.328 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.027 8.639 -0.776 1.00 0.00 N ATOM 0 H GLN A 65 15.082 5.049 3.680 1.00 0.00 H new ATOM 0 HA GLN A 65 13.319 6.950 3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.673 6.313 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.724 5.594 0.800 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.921 7.635 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 65 14.067 8.403 1.614 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.254 8.481 -1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.901 9.042 -1.114 1.00 0.00 H new ATOM 997 N ASN A 66 12.540 4.381 1.155 1.00 0.00 N ATOM 998 CA ASN A 66 11.447 3.773 0.406 1.00 0.00 C ATOM 999 C ASN A 66 10.123 3.931 1.148 1.00 0.00 C ATOM 1000 O ASN A 66 9.129 4.380 0.578 1.00 0.00 O ATOM 1001 CB ASN A 66 11.732 2.289 0.161 1.00 0.00 C ATOM 1002 CG ASN A 66 12.657 2.066 -1.020 1.00 0.00 C ATOM 1003 OD1 ASN A 66 12.921 2.983 -1.798 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.153 0.842 -1.160 1.00 0.00 N ATOM 0 H ASN A 66 13.421 3.870 1.106 1.00 0.00 H new ATOM 0 HA ASN A 66 11.369 4.285 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.178 1.855 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.792 1.765 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.780 0.632 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.907 0.112 -0.491 1.00 0.00 H new ATOM 1011 N PHE A 67 10.120 3.561 2.425 1.00 0.00 N ATOM 1012 CA PHE A 67 8.919 3.662 3.246 1.00 0.00 C ATOM 1013 C PHE A 67 8.499 5.119 3.419 1.00 0.00 C ATOM 1014 O PHE A 67 7.385 5.500 3.061 1.00 0.00 O ATOM 1015 CB PHE A 67 9.157 3.023 4.616 1.00 0.00 C ATOM 1016 CG PHE A 67 8.905 1.542 4.638 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.754 0.672 3.974 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.820 1.021 5.325 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.523 -0.691 3.992 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.585 -0.341 5.347 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.439 -1.198 4.681 1.00 0.00 C ATOM 0 H PHE A 67 10.935 3.189 2.913 1.00 0.00 H new ATOM 0 HA PHE A 67 8.116 3.128 2.738 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.185 3.213 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.511 3.505 5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.605 1.063 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.150 1.687 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.190 -1.359 3.467 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.735 -0.734 5.884 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.259 -2.263 4.699 1.00 0.00 H new ATOM 1031 N GLU A 68 9.399 5.927 3.970 1.00 0.00 N ATOM 1032 CA GLU A 68 9.121 7.341 4.191 1.00 0.00 C ATOM 1033 C GLU A 68 8.528 7.982 2.939 1.00 0.00 C ATOM 1034 O GLU A 68 7.379 8.423 2.938 1.00 0.00 O ATOM 1035 CB GLU A 68 10.399 8.078 4.597 1.00 0.00 C ATOM 1036 CG GLU A 68 11.110 7.453 5.786 1.00 0.00 C ATOM 1037 CD GLU A 68 11.891 8.467 6.598 1.00 0.00 C ATOM 1038 OE1 GLU A 68 11.290 9.479 7.018 1.00 0.00 O ATOM 1039 OE2 GLU A 68 13.102 8.251 6.813 1.00 0.00 O ATOM 0 H GLU A 68 10.326 5.627 4.271 1.00 0.00 H new ATOM 0 HA GLU A 68 8.393 7.419 4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.081 8.100 3.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.152 9.113 4.835 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.376 6.966 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.788 6.677 5.432 1.00 0.00 H new ATOM 1046 N VAL A 69 9.321 8.029 1.873 1.00 0.00 N ATOM 1047 CA VAL A 69 8.876 8.614 0.614 1.00 0.00 C ATOM 1048 C VAL A 69 7.413 8.284 0.341 1.00 0.00 C ATOM 1049 O VAL A 69 6.574 9.177 0.234 1.00 0.00 O ATOM 1050 CB VAL A 69 9.732 8.121 -0.567 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.224 8.707 -1.876 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.195 8.473 -0.349 1.00 0.00 C ATOM 0 H VAL A 69 10.275 7.669 1.856 1.00 0.00 H new ATOM 0 HA VAL A 69 8.989 9.694 0.709 1.00 0.00 H new ATOM 0 HB VAL A 69 9.648 7.036 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.841 8.347 -2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.191 8.399 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.276 9.795 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.785 8.117 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.300 9.555 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.550 8.000 0.567 1.00 0.00 H new ATOM 1062 N ALA A 70 7.115 6.993 0.230 1.00 0.00 N ATOM 1063 CA ALA A 70 5.752 6.544 -0.028 1.00 0.00 C ATOM 1064 C ALA A 70 4.778 7.137 0.984 1.00 0.00 C ATOM 1065 O ALA A 70 3.709 7.627 0.618 1.00 0.00 O ATOM 1066 CB ALA A 70 5.684 5.024 -0.001 1.00 0.00 C ATOM 0 H ALA A 70 7.798 6.241 0.315 1.00 0.00 H new ATOM 0 HA ALA A 70 5.462 6.893 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.661 4.702 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.344 4.617 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.998 4.663 0.978 1.00 0.00 H new ATOM 1072 N PHE A 71 5.153 7.090 2.258 1.00 0.00 N ATOM 1073 CA PHE A 71 4.311 7.621 3.323 1.00 0.00 C ATOM 1074 C PHE A 71 4.101 9.123 3.154 1.00 0.00 C ATOM 1075 O PHE A 71 3.001 9.576 2.839 1.00 0.00 O ATOM 1076 CB PHE A 71 4.937 7.333 4.689 1.00 0.00 C ATOM 1077 CG PHE A 71 4.663 5.945 5.194 1.00 0.00 C ATOM 1078 CD1 PHE A 71 4.661 4.866 4.325 1.00 0.00 C ATOM 1079 CD2 PHE A 71 4.409 5.720 6.537 1.00 0.00 C ATOM 1080 CE1 PHE A 71 4.408 3.588 4.787 1.00 0.00 C ATOM 1081 CE2 PHE A 71 4.156 4.444 7.005 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.157 3.377 6.129 1.00 0.00 C ATOM 0 H PHE A 71 6.035 6.689 2.578 1.00 0.00 H new ATOM 0 HA PHE A 71 3.341 7.128 3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.015 7.481 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.559 8.055 5.412 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.859 5.025 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.409 6.551 7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.407 2.755 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.958 4.282 8.054 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.962 2.379 6.492 1.00 0.00 H new ATOM 1092 N SER A 72 5.166 9.890 3.365 1.00 0.00 N ATOM 1093 CA SER A 72 5.099 11.341 3.239 1.00 0.00 C ATOM 1094 C SER A 72 4.454 11.744 1.917 1.00 0.00 C ATOM 1095 O SER A 72 3.468 12.479 1.893 1.00 0.00 O ATOM 1096 CB SER A 72 6.500 11.948 3.342 1.00 0.00 C ATOM 1097 OG SER A 72 6.959 11.949 4.683 1.00 0.00 O ATOM 0 H SER A 72 6.085 9.531 3.624 1.00 0.00 H new ATOM 0 HA SER A 72 4.484 11.723 4.054 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.192 11.382 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.487 12.968 2.958 1.00 0.00 H new ATOM 0 HG SER A 72 7.857 12.340 4.721 1.00 0.00 H new ATOM 1103 N SER A 73 5.020 11.255 0.817 1.00 0.00 N ATOM 1104 CA SER A 73 4.503 11.566 -0.511 1.00 0.00 C ATOM 1105 C SER A 73 2.981 11.667 -0.491 1.00 0.00 C ATOM 1106 O SER A 73 2.407 12.650 -0.960 1.00 0.00 O ATOM 1107 CB SER A 73 4.942 10.498 -1.514 1.00 0.00 C ATOM 1108 OG SER A 73 6.333 10.582 -1.773 1.00 0.00 O ATOM 0 H SER A 73 5.836 10.643 0.820 1.00 0.00 H new ATOM 0 HA SER A 73 4.909 12.530 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.700 9.509 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.388 10.619 -2.445 1.00 0.00 H new ATOM 0 HG SER A 73 6.831 10.233 -1.004 1.00 0.00 H new ATOM 1114 N ALA A 74 2.333 10.643 0.055 1.00 0.00 N ATOM 1115 CA ALA A 74 0.878 10.616 0.138 1.00 0.00 C ATOM 1116 C ALA A 74 0.354 11.787 0.962 1.00 0.00 C ATOM 1117 O ALA A 74 -0.384 12.633 0.456 1.00 0.00 O ATOM 1118 CB ALA A 74 0.407 9.297 0.732 1.00 0.00 C ATOM 0 H ALA A 74 2.793 9.821 0.446 1.00 0.00 H new ATOM 0 HA ALA A 74 0.479 10.709 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.682 9.291 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.742 8.474 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.822 9.180 1.733 1.00 0.00 H new ATOM 1124 N GLU A 75 0.738 11.829 2.234 1.00 0.00 N ATOM 1125 CA GLU A 75 0.304 12.896 3.128 1.00 0.00 C ATOM 1126 C GLU A 75 0.325 14.245 2.415 1.00 0.00 C ATOM 1127 O GLU A 75 -0.403 15.167 2.783 1.00 0.00 O ATOM 1128 CB GLU A 75 1.199 12.949 4.368 1.00 0.00 C ATOM 1129 CG GLU A 75 0.705 13.910 5.435 1.00 0.00 C ATOM 1130 CD GLU A 75 1.659 14.020 6.609 1.00 0.00 C ATOM 1131 OE1 GLU A 75 1.730 13.061 7.406 1.00 0.00 O ATOM 1132 OE2 GLU A 75 2.333 15.063 6.730 1.00 0.00 O ATOM 0 H GLU A 75 1.348 11.137 2.668 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.719 12.683 3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.271 11.949 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.205 13.240 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.564 14.896 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.270 13.579 5.794 1.00 0.00 H new ATOM 1139 N THR A 76 1.166 14.354 1.391 1.00 0.00 N ATOM 1140 CA THR A 76 1.285 15.590 0.627 1.00 0.00 C ATOM 1141 C THR A 76 -0.088 16.141 0.258 1.00 0.00 C ATOM 1142 O THR A 76 -0.469 17.228 0.694 1.00 0.00 O ATOM 1143 CB THR A 76 2.103 15.377 -0.661 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.382 14.817 -0.342 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.291 16.691 -1.405 1.00 0.00 C ATOM 0 H THR A 76 1.775 13.601 1.072 1.00 0.00 H new ATOM 0 HA THR A 76 1.803 16.307 1.263 1.00 0.00 H new ATOM 0 HB THR A 76 1.555 14.688 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.539 14.023 -0.895 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.871 16.516 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.317 17.101 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.820 17.398 -0.766 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.827 15.386 -0.548 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.159 15.800 -0.975 1.00 0.00 C ATOM 1155 C HIS A 77 -3.223 14.853 -0.427 1.00 0.00 C ATOM 1156 O HIS A 77 -4.388 15.226 -0.290 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.238 15.846 -2.501 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.331 14.864 -3.177 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.385 15.232 -4.110 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.230 13.520 -3.050 1.00 0.00 C ATOM 1161 CE1 HIS A 77 0.258 14.156 -4.529 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.235 13.104 -3.901 1.00 0.00 N ATOM 0 H HIS A 77 -0.526 14.485 -0.919 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.347 16.798 -0.579 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.265 15.652 -2.810 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.988 16.852 -2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.822 12.892 -2.401 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.052 14.140 -5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.073 12.140 -4.027 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.815 13.627 -0.117 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.733 12.628 0.416 1.00 0.00 C ATOM 1173 C ALA A 78 -3.952 12.827 1.912 1.00 0.00 C ATOM 1174 O ALA A 78 -5.007 12.483 2.445 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.207 11.228 0.139 1.00 0.00 C ATOM 0 H ALA A 78 -1.854 13.302 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.694 12.749 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.902 10.492 0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.108 11.083 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.233 11.105 0.613 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.950 13.383 2.583 1.00 0.00 N ATOM 1182 CA ASP A 79 -3.033 13.628 4.018 1.00 0.00 C ATOM 1183 C ASP A 79 -3.528 12.387 4.753 1.00 0.00 C ATOM 1184 O ASP A 79 -4.486 12.450 5.525 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.964 14.809 4.302 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.573 15.565 5.557 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.434 16.077 5.611 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.405 15.647 6.484 1.00 0.00 O ATOM 0 H ASP A 79 -2.070 13.673 2.156 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.033 13.868 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.951 15.491 3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.987 14.446 4.404 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.869 11.259 4.509 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.243 10.002 5.146 1.00 0.00 C ATOM 1195 C CYS A 80 -2.646 9.903 6.546 1.00 0.00 C ATOM 1196 O CYS A 80 -1.487 10.248 6.779 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.780 8.818 4.297 1.00 0.00 C ATOM 1198 SG CYS A 80 -3.023 7.207 5.080 1.00 0.00 S ATOM 0 H CYS A 80 -2.073 11.190 3.875 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.329 9.976 5.231 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.317 8.833 3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -1.722 8.942 4.067 1.00 0.00 H new ATOM 0 HG CYS A 80 -1.994 6.449 4.843 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.455 9.423 7.503 1.00 0.00 N ATOM 1205 CA PRO A 81 -3.028 9.269 8.896 1.00 0.00 C ATOM 1206 C PRO A 81 -2.001 8.156 9.069 1.00 0.00 C ATOM 1207 O PRO A 81 -2.351 7.023 9.401 1.00 0.00 O ATOM 1208 CB PRO A 81 -4.326 8.918 9.628 1.00 0.00 C ATOM 1209 CG PRO A 81 -5.193 8.300 8.586 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.848 8.993 7.296 1.00 0.00 C ATOM 0 HA PRO A 81 -2.539 10.167 9.273 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.142 8.227 10.451 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.792 9.806 10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.012 7.228 8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.248 8.430 8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.939 8.322 6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.506 9.841 7.106 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.734 8.485 8.842 1.00 0.00 N ATOM 1219 CA GLN A 82 0.343 7.511 8.973 1.00 0.00 C ATOM 1220 C GLN A 82 0.068 6.545 10.121 1.00 0.00 C ATOM 1221 O GLN A 82 0.114 6.926 11.291 1.00 0.00 O ATOM 1222 CB GLN A 82 1.678 8.223 9.199 1.00 0.00 C ATOM 1223 CG GLN A 82 2.022 9.231 8.114 1.00 0.00 C ATOM 1224 CD GLN A 82 2.139 8.595 6.743 1.00 0.00 C ATOM 1225 OE1 GLN A 82 1.989 7.382 6.593 1.00 0.00 O ATOM 1226 NE2 GLN A 82 2.409 9.413 5.732 1.00 0.00 N ATOM 0 H GLN A 82 -0.428 9.418 8.567 1.00 0.00 H new ATOM 0 HA GLN A 82 0.396 6.939 8.047 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.649 8.734 10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.472 7.479 9.256 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.256 10.006 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.963 9.722 8.364 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.526 10.412 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.500 9.042 4.786 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.220 5.294 9.778 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.503 4.273 10.781 1.00 0.00 C ATOM 1237 C LEU A 83 0.717 3.389 11.018 1.00 0.00 C ATOM 1238 O LEU A 83 1.269 3.356 12.118 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.691 3.415 10.341 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.957 4.175 9.942 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -4.015 3.214 9.422 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.493 4.973 11.121 1.00 0.00 C ATOM 0 H LEU A 83 -0.264 4.963 8.814 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.751 4.776 11.716 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.378 2.802 9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.942 2.733 11.154 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.703 4.871 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.908 3.773 9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.630 2.686 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.266 2.493 10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.394 5.507 10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.731 4.295 11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.739 5.689 11.449 1.00 0.00 H new ATOM 1254 N LEU A 84 1.134 2.675 9.978 1.00 0.00 N ATOM 1255 CA LEU A 84 2.292 1.792 10.072 1.00 0.00 C ATOM 1256 C LEU A 84 3.470 2.506 10.726 1.00 0.00 C ATOM 1257 O LEU A 84 3.724 3.680 10.456 1.00 0.00 O ATOM 1258 CB LEU A 84 2.690 1.291 8.683 1.00 0.00 C ATOM 1259 CG LEU A 84 1.825 0.175 8.097 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.009 0.092 6.590 1.00 0.00 C ATOM 1261 CD2 LEU A 84 2.158 -1.157 8.752 1.00 0.00 C ATOM 0 H LEU A 84 0.688 2.690 9.061 1.00 0.00 H new ATOM 0 HA LEU A 84 2.018 0.939 10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.672 2.136 7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.721 0.939 8.728 1.00 0.00 H new ATOM 0 HG LEU A 84 0.780 0.406 8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.385 -0.708 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.719 1.039 6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.055 -0.115 6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.533 -1.940 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.208 -1.395 8.579 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.973 -1.092 9.824 1.00 0.00 H new ATOM 1273 N ASP A 85 4.188 1.789 11.584 1.00 0.00 N ATOM 1274 CA ASP A 85 5.342 2.354 12.273 1.00 0.00 C ATOM 1275 C ASP A 85 6.625 2.091 11.490 1.00 0.00 C ATOM 1276 O ASP A 85 7.417 1.218 11.848 1.00 0.00 O ATOM 1277 CB ASP A 85 5.460 1.766 13.680 1.00 0.00 C ATOM 1278 CG ASP A 85 4.109 1.556 14.335 1.00 0.00 C ATOM 1279 OD1 ASP A 85 3.192 2.365 14.078 1.00 0.00 O ATOM 1280 OD2 ASP A 85 3.967 0.581 15.102 1.00 0.00 O ATOM 0 H ASP A 85 3.991 0.816 11.819 1.00 0.00 H new ATOM 0 HA ASP A 85 5.198 3.432 12.348 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.988 0.814 13.630 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.061 2.431 14.299 1.00 0.00 H new ATOM 1285 N THR A 86 6.824 2.851 10.418 1.00 0.00 N ATOM 1286 CA THR A 86 8.009 2.700 9.583 1.00 0.00 C ATOM 1287 C THR A 86 9.238 2.378 10.425 1.00 0.00 C ATOM 1288 O THR A 86 9.996 1.462 10.109 1.00 0.00 O ATOM 1289 CB THR A 86 8.283 3.973 8.760 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.103 4.358 8.046 1.00 0.00 O ATOM 1291 CG2 THR A 86 9.425 3.748 7.780 1.00 0.00 C ATOM 0 H THR A 86 6.179 3.578 10.107 1.00 0.00 H new ATOM 0 HA THR A 86 7.812 1.872 8.902 1.00 0.00 H new ATOM 0 HB THR A 86 8.567 4.770 9.447 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.569 3.562 7.844 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.600 4.660 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.329 3.484 8.329 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.165 2.938 7.098 1.00 0.00 H new ATOM 1299 N GLU A 87 9.430 3.139 11.499 1.00 0.00 N ATOM 1300 CA GLU A 87 10.568 2.934 12.386 1.00 0.00 C ATOM 1301 C GLU A 87 10.672 1.471 12.809 1.00 0.00 C ATOM 1302 O GLU A 87 11.757 0.888 12.806 1.00 0.00 O ATOM 1303 CB GLU A 87 10.446 3.826 13.623 1.00 0.00 C ATOM 1304 CG GLU A 87 9.242 3.501 14.492 1.00 0.00 C ATOM 1305 CD GLU A 87 9.171 4.364 15.737 1.00 0.00 C ATOM 1306 OE1 GLU A 87 10.110 4.299 16.557 1.00 0.00 O ATOM 1307 OE2 GLU A 87 8.177 5.103 15.891 1.00 0.00 O ATOM 0 H GLU A 87 8.812 3.902 11.775 1.00 0.00 H new ATOM 0 HA GLU A 87 11.473 3.202 11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.352 3.729 14.221 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.384 4.867 13.305 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.331 3.635 13.909 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.282 2.452 14.784 1.00 0.00 H new ATOM 1314 N ASP A 88 9.537 0.884 13.172 1.00 0.00 N ATOM 1315 CA ASP A 88 9.498 -0.510 13.597 1.00 0.00 C ATOM 1316 C ASP A 88 9.523 -1.446 12.393 1.00 0.00 C ATOM 1317 O ASP A 88 10.080 -2.541 12.456 1.00 0.00 O ATOM 1318 CB ASP A 88 8.250 -0.775 14.439 1.00 0.00 C ATOM 1319 CG ASP A 88 8.463 -1.873 15.462 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.387 -2.692 15.270 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.707 -1.914 16.455 1.00 0.00 O ATOM 0 H ASP A 88 8.631 1.352 13.180 1.00 0.00 H new ATOM 0 HA ASP A 88 10.383 -0.704 14.204 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.959 0.142 14.951 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.424 -1.049 13.783 1.00 0.00 H new ATOM 1326 N MET A 89 8.913 -1.007 11.296 1.00 0.00 N ATOM 1327 CA MET A 89 8.865 -1.806 10.077 1.00 0.00 C ATOM 1328 C MET A 89 10.270 -2.083 9.553 1.00 0.00 C ATOM 1329 O MET A 89 10.571 -3.192 9.111 1.00 0.00 O ATOM 1330 CB MET A 89 8.040 -1.091 9.006 1.00 0.00 C ATOM 1331 CG MET A 89 6.580 -0.906 9.385 1.00 0.00 C ATOM 1332 SD MET A 89 5.593 -2.387 9.095 1.00 0.00 S ATOM 1333 CE MET A 89 5.197 -2.195 7.359 1.00 0.00 C ATOM 0 H MET A 89 8.446 -0.103 11.227 1.00 0.00 H new ATOM 0 HA MET A 89 8.391 -2.758 10.315 1.00 0.00 H new ATOM 0 HB2 MET A 89 8.482 -0.114 8.810 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.096 -1.658 8.077 1.00 0.00 H new ATOM 0 HG2 MET A 89 6.514 -0.631 10.438 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.162 -0.078 8.812 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.397 -2.885 7.090 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.872 -1.172 7.171 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.080 -2.411 6.758 1.00 0.00 H new ATOM 1343 N VAL A 90 11.127 -1.069 9.606 1.00 0.00 N ATOM 1344 CA VAL A 90 12.501 -1.204 9.137 1.00 0.00 C ATOM 1345 C VAL A 90 13.222 -2.332 9.866 1.00 0.00 C ATOM 1346 O VAL A 90 13.546 -3.361 9.272 1.00 0.00 O ATOM 1347 CB VAL A 90 13.291 0.104 9.330 1.00 0.00 C ATOM 1348 CG1 VAL A 90 14.785 -0.151 9.203 1.00 0.00 C ATOM 1349 CG2 VAL A 90 12.834 1.154 8.329 1.00 0.00 C ATOM 0 H VAL A 90 10.894 -0.145 9.969 1.00 0.00 H new ATOM 0 HA VAL A 90 12.451 -1.436 8.073 1.00 0.00 H new ATOM 0 HB VAL A 90 13.095 0.482 10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.327 0.784 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.098 -0.868 9.962 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.003 -0.553 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.402 2.072 8.479 1.00 0.00 H new ATOM 0 HG22 VAL A 90 12.999 0.787 7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.773 1.357 8.473 1.00 0.00 H new ATOM 1359 N ARG A 91 13.470 -2.132 11.156 1.00 0.00 N ATOM 1360 CA ARG A 91 14.154 -3.133 11.966 1.00 0.00 C ATOM 1361 C ARG A 91 13.442 -4.480 11.882 1.00 0.00 C ATOM 1362 O ARG A 91 14.080 -5.524 11.740 1.00 0.00 O ATOM 1363 CB ARG A 91 14.229 -2.675 13.424 1.00 0.00 C ATOM 1364 CG ARG A 91 12.895 -2.216 13.988 1.00 0.00 C ATOM 1365 CD ARG A 91 13.043 -1.677 15.402 1.00 0.00 C ATOM 1366 NE ARG A 91 11.772 -1.670 16.122 1.00 0.00 N ATOM 1367 CZ ARG A 91 11.530 -0.902 17.178 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.466 -0.082 17.634 1.00 0.00 N ATOM 1369 NH2 ARG A 91 10.348 -0.952 17.779 1.00 0.00 N ATOM 0 H ARG A 91 13.208 -1.286 11.663 1.00 0.00 H new ATOM 0 HA ARG A 91 15.165 -3.251 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.609 -3.494 14.034 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.947 -1.859 13.503 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.474 -1.443 13.345 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.192 -3.049 13.987 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.765 -2.284 15.948 1.00 0.00 H new ATOM 0 HD3 ARG A 91 13.443 -0.664 15.364 1.00 0.00 H new ATOM 0 HE ARG A 91 11.030 -2.289 15.796 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.375 -0.040 17.174 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.277 0.507 18.445 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.625 -1.581 17.430 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.163 -0.362 18.590 1.00 0.00 H new ATOM 1383 N LEU A 92 12.117 -4.450 11.969 1.00 0.00 N ATOM 1384 CA LEU A 92 11.317 -5.668 11.903 1.00 0.00 C ATOM 1385 C LEU A 92 11.635 -6.460 10.639 1.00 0.00 C ATOM 1386 O LEU A 92 11.391 -5.995 9.525 1.00 0.00 O ATOM 1387 CB LEU A 92 9.827 -5.326 11.943 1.00 0.00 C ATOM 1388 CG LEU A 92 9.266 -4.927 13.309 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.962 -4.162 13.147 1.00 0.00 C ATOM 1390 CD2 LEU A 92 9.062 -6.156 14.182 1.00 0.00 C ATOM 0 H LEU A 92 11.573 -3.595 12.086 1.00 0.00 H new ATOM 0 HA LEU A 92 11.565 -6.284 12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.643 -4.510 11.245 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.267 -6.188 11.580 1.00 0.00 H new ATOM 0 HG LEU A 92 9.987 -4.274 13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.577 -3.886 14.129 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.139 -3.260 12.561 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.233 -4.790 12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.662 -5.853 15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.361 -6.835 13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.016 -6.662 14.326 1.00 0.00 H new ATOM 1402 N ARG A 93 12.180 -7.659 10.819 1.00 0.00 N ATOM 1403 CA ARG A 93 12.530 -8.516 9.693 1.00 0.00 C ATOM 1404 C ARG A 93 11.434 -8.495 8.632 1.00 0.00 C ATOM 1405 O ARG A 93 11.716 -8.489 7.435 1.00 0.00 O ATOM 1406 CB ARG A 93 12.767 -9.950 10.170 1.00 0.00 C ATOM 1407 CG ARG A 93 13.255 -10.883 9.074 1.00 0.00 C ATOM 1408 CD ARG A 93 14.659 -10.520 8.618 1.00 0.00 C ATOM 1409 NE ARG A 93 15.208 -11.509 7.695 1.00 0.00 N ATOM 1410 CZ ARG A 93 15.723 -12.671 8.083 1.00 0.00 C ATOM 1411 NH1 ARG A 93 15.758 -12.987 9.370 1.00 0.00 N ATOM 1412 NH2 ARG A 93 16.203 -13.519 7.183 1.00 0.00 N ATOM 0 H ARG A 93 12.389 -8.059 11.734 1.00 0.00 H new ATOM 0 HA ARG A 93 13.448 -8.132 9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 93 13.498 -9.939 10.978 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.839 -10.344 10.585 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.244 -11.911 9.438 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.572 -10.838 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.642 -9.543 8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 93 15.311 -10.434 9.487 1.00 0.00 H new ATOM 0 HE ARG A 93 15.196 -11.296 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.389 -12.338 10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.154 -13.879 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.177 -13.279 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.598 -14.411 7.482 1.00 0.00 H new ATOM 1426 N GLU A 94 10.183 -8.485 9.082 1.00 0.00 N ATOM 1427 CA GLU A 94 9.044 -8.467 8.171 1.00 0.00 C ATOM 1428 C GLU A 94 7.850 -7.761 8.807 1.00 0.00 C ATOM 1429 O GLU A 94 7.609 -7.857 10.010 1.00 0.00 O ATOM 1430 CB GLU A 94 8.657 -9.893 7.775 1.00 0.00 C ATOM 1431 CG GLU A 94 9.759 -10.643 7.045 1.00 0.00 C ATOM 1432 CD GLU A 94 9.525 -12.141 7.017 1.00 0.00 C ATOM 1433 OE1 GLU A 94 8.848 -12.652 7.934 1.00 0.00 O ATOM 1434 OE2 GLU A 94 10.019 -12.802 6.080 1.00 0.00 O ATOM 0 H GLU A 94 9.933 -8.489 10.071 1.00 0.00 H new ATOM 0 HA GLU A 94 9.335 -7.916 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.384 -10.449 8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.772 -9.857 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.831 -10.271 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.715 -10.437 7.527 1.00 0.00 H new ATOM 1441 N PRO A 95 7.083 -7.035 7.980 1.00 0.00 N ATOM 1442 CA PRO A 95 5.902 -6.299 8.438 1.00 0.00 C ATOM 1443 C PRO A 95 4.760 -7.227 8.839 1.00 0.00 C ATOM 1444 O PRO A 95 4.683 -8.366 8.379 1.00 0.00 O ATOM 1445 CB PRO A 95 5.508 -5.463 7.217 1.00 0.00 C ATOM 1446 CG PRO A 95 6.048 -6.219 6.052 1.00 0.00 C ATOM 1447 CD PRO A 95 7.311 -6.876 6.534 1.00 0.00 C ATOM 0 HA PRO A 95 6.112 -5.706 9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.426 -5.348 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.932 -4.460 7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.331 -6.962 5.702 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.250 -5.552 5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.476 -7.836 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 95 8.187 -6.260 6.331 1.00 0.00 H new ATOM 1455 N ASP A 96 3.875 -6.732 9.697 1.00 0.00 N ATOM 1456 CA ASP A 96 2.736 -7.517 10.159 1.00 0.00 C ATOM 1457 C ASP A 96 1.507 -7.251 9.295 1.00 0.00 C ATOM 1458 O ASP A 96 1.041 -6.116 9.194 1.00 0.00 O ATOM 1459 CB ASP A 96 2.426 -7.195 11.621 1.00 0.00 C ATOM 1460 CG ASP A 96 1.133 -7.831 12.093 1.00 0.00 C ATOM 1461 OD1 ASP A 96 0.699 -8.822 11.471 1.00 0.00 O ATOM 1462 OD2 ASP A 96 0.555 -7.337 13.084 1.00 0.00 O ATOM 0 H ASP A 96 3.924 -5.791 10.087 1.00 0.00 H new ATOM 0 HA ASP A 96 2.996 -8.572 10.075 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.248 -7.541 12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.363 -6.114 11.746 1.00 0.00 H new ATOM 1467 N TRP A 97 0.988 -8.304 8.673 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.186 -8.183 7.817 1.00 0.00 C ATOM 1469 C TRP A 97 -1.332 -7.502 8.557 1.00 0.00 C ATOM 1470 O TRP A 97 -1.921 -6.541 8.060 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.628 -9.563 7.326 1.00 0.00 C ATOM 1472 CG TRP A 97 -0.726 -10.580 8.422 1.00 0.00 C ATOM 1473 CD1 TRP A 97 0.285 -11.360 8.908 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -1.898 -10.928 9.167 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -0.189 -12.172 9.910 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -1.525 -11.926 10.088 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.226 -10.493 9.146 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -2.433 -12.494 10.978 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -4.126 -11.059 10.029 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -3.726 -12.050 10.936 1.00 0.00 C ATOM 0 H TRP A 97 1.362 -9.250 8.746 1.00 0.00 H new ATOM 0 HA TRP A 97 0.083 -7.568 6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.597 -9.473 6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.078 -9.916 6.574 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.306 -11.341 8.556 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.364 -12.848 10.436 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.543 -9.728 8.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -2.127 -13.258 11.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.155 -10.732 10.020 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -4.453 -12.471 11.615 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.644 -8.004 9.747 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.719 -7.443 10.556 1.00 0.00 C ATOM 1493 C LYS A 98 -2.664 -5.918 10.551 1.00 0.00 C ATOM 1494 O LYS A 98 -3.700 -5.251 10.565 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.627 -7.962 11.993 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.995 -9.429 12.134 1.00 0.00 C ATOM 1497 CD LYS A 98 -2.598 -9.975 13.495 1.00 0.00 C ATOM 1498 CE LYS A 98 -1.187 -10.543 13.478 1.00 0.00 C ATOM 1499 NZ LYS A 98 -0.712 -10.887 14.847 1.00 0.00 N ATOM 0 H LYS A 98 -1.167 -8.799 10.173 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.669 -7.757 10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.611 -7.814 12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.285 -7.368 12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.069 -9.551 11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.502 -10.006 11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.663 -9.182 14.240 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.301 -10.752 13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.161 -11.434 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.509 -9.817 13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.253 -11.271 14.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.712 -10.032 15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.345 -11.598 15.265 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.453 -5.374 10.531 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.265 -3.927 10.523 1.00 0.00 C ATOM 1515 C CYS A 99 -1.280 -3.385 9.098 1.00 0.00 C ATOM 1516 O CYS A 99 -2.131 -2.569 8.742 1.00 0.00 O ATOM 1517 CB CYS A 99 0.053 -3.560 11.207 1.00 0.00 C ATOM 1518 SG CYS A 99 0.178 -1.821 11.684 1.00 0.00 S ATOM 0 H CYS A 99 -0.587 -5.912 10.520 1.00 0.00 H new ATOM 0 HA CYS A 99 -2.090 -3.475 11.073 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.173 -4.179 12.096 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.878 -3.802 10.536 1.00 0.00 H new ATOM 0 HG CYS A 99 1.326 -1.609 12.256 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.332 -3.842 8.286 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.237 -3.402 6.899 1.00 0.00 C ATOM 1526 C VAL A 100 -1.617 -3.294 6.260 1.00 0.00 C ATOM 1527 O VAL A 100 -1.998 -2.238 5.755 1.00 0.00 O ATOM 1528 CB VAL A 100 0.630 -4.363 6.064 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.594 -3.974 4.594 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.060 -4.379 6.584 1.00 0.00 C ATOM 0 H VAL A 100 0.381 -4.516 8.565 1.00 0.00 H new ATOM 0 HA VAL A 100 0.232 -2.418 6.911 1.00 0.00 H new ATOM 0 HB VAL A 100 0.221 -5.369 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.212 -4.664 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.433 -4.018 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.977 -2.960 4.476 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.658 -5.063 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.482 -3.376 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.066 -4.709 7.623 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.361 -4.394 6.285 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.699 -4.425 5.706 1.00 0.00 C ATOM 1542 C TYR A 101 -4.473 -3.157 6.055 1.00 0.00 C ATOM 1543 O TYR A 101 -5.201 -2.611 5.225 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.463 -5.654 6.200 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.966 -5.492 6.154 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.660 -4.955 7.230 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.691 -5.875 5.032 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -8.033 -4.806 7.193 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -8.064 -5.728 4.984 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.730 -5.194 6.067 1.00 0.00 C ATOM 1551 OH TYR A 101 -10.098 -5.046 6.025 1.00 0.00 O ATOM 0 H TYR A 101 -2.060 -5.276 6.700 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.597 -4.480 4.622 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.180 -6.515 5.594 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.161 -5.872 7.224 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.117 -4.648 8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.172 -6.295 4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.557 -4.389 8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.612 -6.029 4.104 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.435 -5.366 5.162 1.00 0.00 H new ATOM 1561 N THR A 102 -4.309 -2.692 7.290 1.00 0.00 N ATOM 1562 CA THR A 102 -4.991 -1.490 7.751 1.00 0.00 C ATOM 1563 C THR A 102 -4.637 -0.289 6.880 1.00 0.00 C ATOM 1564 O THR A 102 -5.511 0.328 6.272 1.00 0.00 O ATOM 1565 CB THR A 102 -4.637 -1.169 9.215 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.880 -2.315 10.040 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.452 0.010 9.723 1.00 0.00 C ATOM 0 H THR A 102 -3.709 -3.131 7.989 1.00 0.00 H new ATOM 0 HA THR A 102 -6.061 -1.686 7.678 1.00 0.00 H new ATOM 0 HB THR A 102 -3.580 -0.906 9.261 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.116 -2.926 9.985 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.184 0.218 10.759 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.243 0.888 9.111 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.514 -0.229 9.663 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.350 0.036 6.824 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.881 1.165 6.029 1.00 0.00 C ATOM 1577 C TYR A 103 -3.527 1.162 4.646 1.00 0.00 C ATOM 1578 O TYR A 103 -4.067 2.175 4.200 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.358 1.122 5.893 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.796 2.229 5.030 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.766 3.542 5.482 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.294 1.961 3.762 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.254 4.556 4.697 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.221 2.969 2.970 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.239 4.265 3.442 1.00 0.00 C ATOM 1586 OH TYR A 103 0.751 5.272 2.657 1.00 0.00 O ATOM 0 H TYR A 103 -2.613 -0.466 7.319 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.167 2.083 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.911 1.184 6.885 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -1.066 0.160 5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.150 3.774 6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.307 0.947 3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.240 5.572 5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.607 2.744 1.987 1.00 0.00 H new ATOM 0 HH TYR A 103 1.057 4.898 1.804 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.467 0.018 3.975 1.00 0.00 N ATOM 1597 CA ILE A 104 -4.047 -0.118 2.644 1.00 0.00 C ATOM 1598 C ILE A 104 -5.523 0.263 2.646 1.00 0.00 C ATOM 1599 O ILE A 104 -5.978 1.025 1.793 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.900 -1.555 2.110 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -2.430 -1.979 2.120 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.478 -1.660 0.707 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.593 -1.283 1.070 1.00 0.00 C ATOM 0 H ILE A 104 -3.023 -0.829 4.330 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.500 0.561 1.991 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.456 -2.228 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.008 -1.774 3.104 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.370 -3.056 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -4.367 -2.681 0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.535 -1.396 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.947 -0.978 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.563 -1.632 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.990 -1.508 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.622 -0.206 1.236 1.00 0.00 H new ATOM 1615 N GLN A 105 -6.265 -0.270 3.612 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.690 0.016 3.725 1.00 0.00 C ATOM 1617 C GLN A 105 -7.930 1.505 3.952 1.00 0.00 C ATOM 1618 O GLN A 105 -8.760 2.118 3.281 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.304 -0.792 4.870 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.778 -0.498 5.100 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.681 -1.266 4.155 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -10.237 -2.180 3.460 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -11.956 -0.898 4.123 1.00 0.00 N ATOM 0 H GLN A 105 -5.903 -0.901 4.327 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.168 -0.272 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.182 -1.855 4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.753 -0.583 5.787 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -10.038 -0.748 6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.955 0.571 4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.282 -0.135 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -12.610 -1.378 3.505 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.199 2.080 4.902 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.334 3.497 5.217 1.00 0.00 C ATOM 1634 C GLU A 106 -7.043 4.357 3.990 1.00 0.00 C ATOM 1635 O GLU A 106 -7.848 5.208 3.610 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.390 3.881 6.358 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.568 5.311 6.840 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.754 5.470 7.772 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -7.823 4.728 8.774 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.612 6.335 7.499 1.00 0.00 O ATOM 0 H GLU A 106 -6.508 1.586 5.466 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.362 3.677 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.550 3.202 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.360 3.743 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.662 5.633 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.697 5.967 5.979 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.887 4.130 3.376 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.488 4.884 2.194 1.00 0.00 C ATOM 1649 C PHE A 107 -6.493 4.692 1.061 1.00 0.00 C ATOM 1650 O PHE A 107 -6.935 5.658 0.439 1.00 0.00 O ATOM 1651 CB PHE A 107 -4.094 4.451 1.733 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.476 5.387 0.733 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -3.306 6.728 1.033 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -3.067 4.924 -0.507 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.737 7.592 0.115 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.497 5.782 -1.428 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.333 7.118 -1.117 1.00 0.00 C ATOM 0 H PHE A 107 -5.210 3.430 3.678 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.464 5.941 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.440 4.376 2.602 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.158 3.455 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.621 7.104 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.195 3.881 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.609 8.636 0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.180 5.408 -2.390 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.890 7.790 -1.836 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.848 3.440 0.800 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.798 3.120 -0.259 1.00 0.00 C ATOM 1669 C TYR A 108 -9.037 4.005 -0.164 1.00 0.00 C ATOM 1670 O TYR A 108 -9.501 4.551 -1.166 1.00 0.00 O ATOM 1671 CB TYR A 108 -8.203 1.647 -0.182 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.809 1.117 -1.462 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -10.130 1.389 -1.793 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.059 0.346 -2.341 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.688 0.907 -2.961 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -8.608 -0.139 -3.512 1.00 0.00 C ATOM 1677 CZ TYR A 108 -9.923 0.144 -3.817 1.00 0.00 C ATOM 1678 OH TYR A 108 -10.475 -0.337 -4.983 1.00 0.00 O ATOM 0 H TYR A 108 -6.493 2.629 1.307 1.00 0.00 H new ATOM 0 HA TYR A 108 -7.312 3.307 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.326 1.051 0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.919 1.518 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.732 1.988 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.029 0.122 -2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.718 1.127 -3.202 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.011 -0.736 -4.185 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.803 -0.855 -5.474 1.00 0.00 H new ATOM 1688 N ARG A 109 -9.568 4.142 1.046 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.753 4.960 1.273 1.00 0.00 C ATOM 1690 C ARG A 109 -10.536 6.383 0.769 1.00 0.00 C ATOM 1691 O ARG A 109 -11.420 6.975 0.148 1.00 0.00 O ATOM 1692 CB ARG A 109 -11.107 4.982 2.761 1.00 0.00 C ATOM 1693 CG ARG A 109 -12.301 5.863 3.090 1.00 0.00 C ATOM 1694 CD ARG A 109 -13.057 5.345 4.304 1.00 0.00 C ATOM 1695 NE ARG A 109 -14.144 6.239 4.694 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.965 7.345 5.408 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.749 7.691 5.807 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -15.004 8.107 5.724 1.00 0.00 N ATOM 0 H ARG A 109 -9.196 3.697 1.885 1.00 0.00 H new ATOM 0 HA ARG A 109 -11.580 4.519 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.315 3.964 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.243 5.330 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.962 6.882 3.278 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.972 5.904 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.461 4.357 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.366 5.229 5.139 1.00 0.00 H new ATOM 0 HE ARG A 109 -15.092 6.001 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.948 7.108 5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.615 8.541 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.941 7.844 5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.866 8.956 6.272 1.00 0.00 H new ATOM 1712 N CYS A 110 -9.355 6.928 1.041 1.00 0.00 N ATOM 1713 CA CYS A 110 -9.022 8.283 0.616 1.00 0.00 C ATOM 1714 C CYS A 110 -9.041 8.396 -0.904 1.00 0.00 C ATOM 1715 O CYS A 110 -9.774 9.210 -1.468 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.647 8.684 1.153 1.00 0.00 C ATOM 1717 SG CYS A 110 -7.514 8.631 2.955 1.00 0.00 S ATOM 0 H CYS A 110 -8.612 6.452 1.554 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.774 8.960 1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.894 8.022 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.416 9.693 0.812 1.00 0.00 H new ATOM 0 HG CYS A 110 -7.623 7.401 3.362 1.00 0.00 H new ATOM 1723 N LEU A 111 -8.230 7.577 -1.564 1.00 0.00 N ATOM 1724 CA LEU A 111 -8.152 7.586 -3.020 1.00 0.00 C ATOM 1725 C LEU A 111 -9.543 7.669 -3.640 1.00 0.00 C ATOM 1726 O LEU A 111 -9.810 8.530 -4.478 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.433 6.331 -3.520 1.00 0.00 C ATOM 1728 CG LEU A 111 -6.079 6.032 -2.876 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.520 4.716 -3.395 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -5.102 7.169 -3.136 1.00 0.00 C ATOM 0 H LEU A 111 -7.617 6.898 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.586 8.467 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.087 5.474 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.288 6.424 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.222 5.942 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.556 4.520 -2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.211 3.908 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.392 4.776 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.144 6.939 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.963 7.291 -4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.498 8.093 -2.714 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.427 6.770 -3.220 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.793 6.744 -3.731 1.00 0.00 C ATOM 1744 C VAL A 112 -12.401 8.142 -3.744 1.00 0.00 C ATOM 1745 O VAL A 112 -13.039 8.542 -4.717 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.688 5.814 -2.891 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -14.117 5.833 -3.414 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -12.131 4.399 -2.887 1.00 0.00 C ATOM 0 H VAL A 112 -10.222 6.050 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.743 6.364 -4.751 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.698 6.178 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.735 5.170 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.511 6.848 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -14.130 5.495 -4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.776 3.756 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -12.089 4.022 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -11.128 4.404 -2.461 1.00 0.00 H new ATOM 1758 N GLN A 113 -12.198 8.880 -2.658 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.727 10.234 -2.545 1.00 0.00 C ATOM 1760 C GLN A 113 -11.934 11.203 -3.415 1.00 0.00 C ATOM 1761 O GLN A 113 -12.504 12.068 -4.081 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.697 10.697 -1.087 1.00 0.00 C ATOM 1763 CG GLN A 113 -13.720 9.999 -0.206 1.00 0.00 C ATOM 1764 CD GLN A 113 -15.139 10.172 -0.710 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -15.501 11.228 -1.231 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -15.952 9.134 -0.557 1.00 0.00 N ATOM 0 H GLN A 113 -11.671 8.563 -1.844 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.760 10.223 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.701 10.524 -0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.873 11.772 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.484 8.936 -0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.648 10.391 0.808 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -15.610 8.278 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -16.919 9.192 -0.877 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.613 11.054 -3.406 1.00 0.00 N ATOM 1776 CA LYS A 114 -9.740 11.914 -4.194 1.00 0.00 C ATOM 1777 C LYS A 114 -10.142 11.897 -5.666 1.00 0.00 C ATOM 1778 O LYS A 114 -10.069 12.915 -6.351 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.283 11.468 -4.048 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.568 12.103 -2.868 1.00 0.00 C ATOM 1781 CD LYS A 114 -7.330 13.587 -3.093 1.00 0.00 C ATOM 1782 CE LYS A 114 -6.044 13.834 -3.866 1.00 0.00 C ATOM 1783 NZ LYS A 114 -5.999 15.206 -4.443 1.00 0.00 N ATOM 0 H LYS A 114 -10.124 10.344 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.842 12.933 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.253 10.384 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.744 11.712 -4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.160 11.962 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.614 11.601 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.172 14.013 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.282 14.099 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.189 13.690 -3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.955 13.100 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.107 15.335 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.800 15.336 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.058 15.907 -3.677 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.569 10.732 -6.144 1.00 0.00 N ATOM 1798 CA GLY A 115 -10.979 10.604 -7.530 1.00 0.00 C ATOM 1799 C GLY A 115 -10.043 9.721 -8.332 1.00 0.00 C ATOM 1800 O GLY A 115 -9.854 9.932 -9.531 1.00 0.00 O ATOM 0 H GLY A 115 -10.638 9.875 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -11.987 10.191 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.021 11.593 -7.986 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.455 8.731 -7.671 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.532 7.813 -8.329 1.00 0.00 C ATOM 1806 C LEU A 116 -9.219 6.491 -8.655 1.00 0.00 C ATOM 1807 O LEU A 116 -9.020 5.924 -9.730 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.312 7.562 -7.442 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.485 8.794 -7.073 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.446 8.444 -6.019 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.816 9.377 -8.310 1.00 0.00 C ATOM 0 H LEU A 116 -9.601 8.543 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.206 8.272 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.649 7.086 -6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.660 6.850 -7.948 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.155 9.546 -6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.867 9.333 -5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.946 8.073 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.779 7.674 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.232 10.253 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.159 8.630 -8.754 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.578 9.666 -9.034 1.00 0.00 H new ATOM 1823 N VAL A 117 -10.031 6.005 -7.721 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.750 4.751 -7.909 1.00 0.00 C ATOM 1825 C VAL A 117 -12.244 4.932 -7.662 1.00 0.00 C ATOM 1826 O VAL A 117 -12.703 4.908 -6.520 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.215 3.651 -6.974 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -11.042 2.381 -7.115 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.747 3.375 -7.260 1.00 0.00 C ATOM 0 H VAL A 117 -10.207 6.461 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.590 4.446 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.301 4.000 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.649 1.615 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.079 2.592 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.991 2.026 -8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.386 2.595 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.633 3.047 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.168 4.285 -7.102 1.00 0.00 H new