USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 593 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 Single : A 8 ASN : amide:sc= -0.0438 X(o=-0.044,f=-0.15) USER MOD Single : A 22 SER OG : rot -170:sc= -1.48 USER MOD Single : A 28 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.6! C(o=-2.6!,f=-2.2!) USER MOD Single : A 34 THR OG1 : rot -109:sc= -2.98! USER MOD Single : A 37 THR OG1 : rot 39:sc= 0.499 USER MOD Single : A 40 SER OG : rot 150:sc= -0.771 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.23) USER MOD Single : A 48 CYS SG : rot 14:sc= 0.0246 USER MOD Single : A 61 THR OG1 : rot 63:sc= 0.937 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -126:sc= -9.31! (180deg=-10.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -8.75! C(o=-8.7!,f=-9.8!) USER MOD Single : A 70 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.7!) USER MOD Single : A 74 LYS NZ :NH3+ -106:sc= -0.0775 (180deg=-1.29!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.75! C(o=-5.6!,f=-3.7!) USER MOD Single : A 81 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= -0.0213 (180deg=-0.186) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -14.743 2.765 -3.296 1.00 0.00 N ATOM 60 CA GLY A 7 -14.094 1.966 -4.318 1.00 0.00 C ATOM 61 C GLY A 7 -13.083 0.995 -3.741 1.00 0.00 C ATOM 62 O GLY A 7 -11.903 1.318 -3.616 1.00 0.00 O ATOM 0 HA2 GLY A 7 -14.849 1.411 -4.875 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.595 2.626 -5.028 1.00 0.00 H new ATOM 66 N ASN A 8 -13.548 -0.199 -3.387 1.00 0.00 N ATOM 67 CA ASN A 8 -12.676 -1.220 -2.817 1.00 0.00 C ATOM 68 C ASN A 8 -11.739 -1.788 -3.877 1.00 0.00 C ATOM 69 O ASN A 8 -12.108 -1.915 -5.045 1.00 0.00 O ATOM 70 CB ASN A 8 -13.509 -2.345 -2.200 1.00 0.00 C ATOM 71 CG ASN A 8 -14.269 -3.141 -3.244 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.369 -2.765 -3.648 1.00 0.00 O ATOM 73 ND2 ASN A 8 -13.682 -4.248 -3.686 1.00 0.00 N ATOM 0 H ASN A 8 -14.523 -0.483 -3.485 1.00 0.00 H new ATOM 0 HA ASN A 8 -12.073 -0.754 -2.037 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.854 -3.014 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.215 -1.921 -1.486 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.144 -4.825 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.769 -4.521 -3.322 1.00 0.00 H new ATOM 80 N VAL A 9 -10.523 -2.131 -3.463 1.00 0.00 N ATOM 81 CA VAL A 9 -9.532 -2.688 -4.376 1.00 0.00 C ATOM 82 C VAL A 9 -8.631 -3.690 -3.664 1.00 0.00 C ATOM 83 O VAL A 9 -7.840 -3.323 -2.795 1.00 0.00 O ATOM 84 CB VAL A 9 -8.660 -1.582 -5.000 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.536 -2.191 -5.825 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.510 -0.648 -5.848 1.00 0.00 C ATOM 0 H VAL A 9 -10.201 -2.033 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.081 -3.197 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.213 -0.998 -4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.930 -1.395 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.912 -2.815 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.960 -2.800 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.878 0.127 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.987 -1.215 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.275 -0.186 -5.224 1.00 0.00 H new ATOM 96 N VAL A 10 -8.755 -4.960 -4.039 1.00 0.00 N ATOM 97 CA VAL A 10 -7.951 -6.017 -3.438 1.00 0.00 C ATOM 98 C VAL A 10 -7.037 -6.667 -4.471 1.00 0.00 C ATOM 99 O VAL A 10 -7.503 -7.321 -5.405 1.00 0.00 O ATOM 100 CB VAL A 10 -8.837 -7.102 -2.798 1.00 0.00 C ATOM 101 CG1 VAL A 10 -8.031 -7.941 -1.819 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.037 -6.470 -2.109 1.00 0.00 C ATOM 0 H VAL A 10 -9.405 -5.281 -4.756 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.344 -5.550 -2.662 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.203 -7.760 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.674 -8.702 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.207 -8.423 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.633 -7.300 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.653 -7.251 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.693 -5.789 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.627 -5.917 -2.840 1.00 0.00 H new ATOM 112 N LEU A 11 -5.733 -6.483 -4.298 1.00 0.00 N ATOM 113 CA LEU A 11 -4.751 -7.052 -5.215 1.00 0.00 C ATOM 114 C LEU A 11 -4.169 -8.346 -4.655 1.00 0.00 C ATOM 115 O LEU A 11 -3.901 -8.468 -3.459 1.00 0.00 O ATOM 116 CB LEU A 11 -3.629 -6.047 -5.480 1.00 0.00 C ATOM 117 CG LEU A 11 -4.067 -4.603 -5.729 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.856 -3.687 -5.824 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.907 -4.511 -6.994 1.00 0.00 C ATOM 0 H LEU A 11 -5.331 -5.944 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.256 -7.279 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.950 -6.058 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.060 -6.387 -6.345 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.678 -4.279 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.187 -2.664 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.293 -3.730 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.219 -4.010 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.210 -3.476 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.320 -4.854 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.794 -5.136 -6.888 1.00 0.00 H new ATOM 131 N PRO A 12 -3.965 -9.334 -5.538 1.00 0.00 N ATOM 132 CA PRO A 12 -3.409 -10.636 -5.155 1.00 0.00 C ATOM 133 C PRO A 12 -1.937 -10.546 -4.768 1.00 0.00 C ATOM 134 O PRO A 12 -1.108 -10.077 -5.546 1.00 0.00 O ATOM 135 CB PRO A 12 -3.579 -11.480 -6.421 1.00 0.00 C ATOM 136 CG PRO A 12 -3.605 -10.491 -7.535 1.00 0.00 C ATOM 137 CD PRO A 12 -4.261 -9.258 -6.978 1.00 0.00 C ATOM 0 HA PRO A 12 -3.908 -11.051 -4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.758 -12.187 -6.539 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.499 -12.063 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.597 -10.272 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.162 -10.878 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.855 -8.350 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.334 -9.253 -7.168 1.00 0.00 H new ATOM 145 N GLY A 13 -1.619 -11.000 -3.559 1.00 0.00 N ATOM 146 CA GLY A 13 -0.246 -10.962 -3.090 1.00 0.00 C ATOM 147 C GLY A 13 0.334 -12.347 -2.882 1.00 0.00 C ATOM 148 O GLY A 13 -0.174 -13.340 -3.403 1.00 0.00 O ATOM 0 H GLY A 13 -2.288 -11.393 -2.897 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.366 -10.420 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.201 -10.408 -2.152 1.00 0.00 H new ATOM 152 N PRO A 14 1.424 -12.425 -2.105 1.00 0.00 N ATOM 153 CA PRO A 14 2.037 -11.249 -1.480 1.00 0.00 C ATOM 154 C PRO A 14 2.709 -10.335 -2.499 1.00 0.00 C ATOM 155 O PRO A 14 2.548 -10.512 -3.706 1.00 0.00 O ATOM 156 CB PRO A 14 3.079 -11.853 -0.535 1.00 0.00 C ATOM 157 CG PRO A 14 3.409 -13.178 -1.130 1.00 0.00 C ATOM 158 CD PRO A 14 2.143 -13.668 -1.777 1.00 0.00 C ATOM 0 HA PRO A 14 1.299 -10.622 -0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.963 -11.220 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.682 -11.960 0.475 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.212 -13.088 -1.862 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.751 -13.875 -0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.350 -14.259 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.566 -14.300 -1.102 1.00 0.00 H new ATOM 166 N ALA A 15 3.463 -9.359 -2.005 1.00 0.00 N ATOM 167 CA ALA A 15 4.161 -8.419 -2.873 1.00 0.00 C ATOM 168 C ALA A 15 5.231 -9.125 -3.699 1.00 0.00 C ATOM 169 O ALA A 15 5.599 -10.269 -3.434 1.00 0.00 O ATOM 170 CB ALA A 15 4.780 -7.299 -2.049 1.00 0.00 C ATOM 0 H ALA A 15 3.606 -9.199 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 15 3.433 -7.989 -3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.298 -6.604 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.996 -6.769 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.490 -7.720 -1.337 1.00 0.00 H new ATOM 176 N PRO A 16 5.744 -8.428 -4.724 1.00 0.00 N ATOM 177 CA PRO A 16 5.313 -7.065 -5.049 1.00 0.00 C ATOM 178 C PRO A 16 3.893 -7.022 -5.602 1.00 0.00 C ATOM 179 O PRO A 16 3.312 -8.057 -5.928 1.00 0.00 O ATOM 180 CB PRO A 16 6.317 -6.621 -6.117 1.00 0.00 C ATOM 181 CG PRO A 16 6.790 -7.888 -6.741 1.00 0.00 C ATOM 182 CD PRO A 16 6.782 -8.918 -5.646 1.00 0.00 C ATOM 0 HA PRO A 16 5.294 -6.423 -4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.849 -5.968 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.144 -6.064 -5.676 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.137 -8.186 -7.562 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.790 -7.768 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.543 -9.910 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.753 -8.991 -5.156 1.00 0.00 H new ATOM 190 N TRP A 17 3.340 -5.819 -5.705 1.00 0.00 N ATOM 191 CA TRP A 17 1.986 -5.642 -6.219 1.00 0.00 C ATOM 192 C TRP A 17 2.011 -5.238 -7.689 1.00 0.00 C ATOM 193 O TRP A 17 1.415 -5.903 -8.535 1.00 0.00 O ATOM 194 CB TRP A 17 1.242 -4.586 -5.400 1.00 0.00 C ATOM 195 CG TRP A 17 1.293 -4.835 -3.923 1.00 0.00 C ATOM 196 CD1 TRP A 17 1.935 -4.077 -2.986 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.680 -5.918 -3.215 1.00 0.00 C ATOM 198 NE1 TRP A 17 1.757 -4.623 -1.738 1.00 0.00 N ATOM 199 CE2 TRP A 17 0.990 -5.752 -1.851 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.103 -7.009 -3.599 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.546 -6.638 -0.873 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.543 -7.888 -2.628 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.219 -7.698 -1.278 1.00 0.00 C ATOM 0 H TRP A 17 3.807 -4.952 -5.440 1.00 0.00 H new ATOM 0 HA TRP A 17 1.463 -6.594 -6.132 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.669 -3.606 -5.611 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.201 -4.555 -5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.500 -3.180 -3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.135 -4.248 -0.868 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.360 -7.163 -4.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 0.796 -6.494 0.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.147 -8.736 -2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.580 -8.402 -0.543 1.00 0.00 H new ATOM 214 N GLY A 18 2.706 -4.144 -7.987 1.00 0.00 N ATOM 215 CA GLY A 18 2.795 -3.672 -9.356 1.00 0.00 C ATOM 216 C GLY A 18 2.466 -2.197 -9.483 1.00 0.00 C ATOM 217 O GLY A 18 2.709 -1.587 -10.525 1.00 0.00 O ATOM 0 H GLY A 18 3.209 -3.577 -7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.802 -3.851 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.113 -4.248 -9.981 1.00 0.00 H new ATOM 221 N PHE A 19 1.911 -1.623 -8.421 1.00 0.00 N ATOM 222 CA PHE A 19 1.546 -0.211 -8.419 1.00 0.00 C ATOM 223 C PHE A 19 2.550 0.610 -7.615 1.00 0.00 C ATOM 224 O PHE A 19 3.327 0.064 -6.831 1.00 0.00 O ATOM 225 CB PHE A 19 0.141 -0.027 -7.842 1.00 0.00 C ATOM 226 CG PHE A 19 0.083 -0.171 -6.348 1.00 0.00 C ATOM 227 CD1 PHE A 19 -0.054 -1.419 -5.764 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.165 0.943 -5.528 1.00 0.00 C ATOM 229 CE1 PHE A 19 -0.109 -1.554 -4.390 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.111 0.814 -4.153 1.00 0.00 C ATOM 231 CZ PHE A 19 -0.025 -0.436 -3.583 1.00 0.00 C ATOM 0 H PHE A 19 1.704 -2.113 -7.551 1.00 0.00 H new ATOM 0 HA PHE A 19 1.558 0.143 -9.450 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.230 0.960 -8.119 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.528 -0.758 -8.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.119 -2.297 -6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.272 1.923 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.218 -2.533 -3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.175 1.690 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.066 -0.540 -2.509 1.00 0.00 H new ATOM 241 N ARG A 20 2.527 1.923 -7.815 1.00 0.00 N ATOM 242 CA ARG A 20 3.436 2.819 -7.110 1.00 0.00 C ATOM 243 C ARG A 20 2.664 3.771 -6.201 1.00 0.00 C ATOM 244 O ARG A 20 1.432 3.781 -6.196 1.00 0.00 O ATOM 245 CB ARG A 20 4.274 3.619 -8.110 1.00 0.00 C ATOM 246 CG ARG A 20 4.928 2.762 -9.181 1.00 0.00 C ATOM 247 CD ARG A 20 5.742 1.632 -8.570 1.00 0.00 C ATOM 248 NE ARG A 20 6.973 2.117 -7.951 1.00 0.00 N ATOM 249 CZ ARG A 20 8.075 2.405 -8.634 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.099 2.258 -9.952 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.155 2.842 -8.000 1.00 0.00 N ATOM 0 H ARG A 20 1.889 2.390 -8.459 1.00 0.00 H new ATOM 0 HA ARG A 20 4.099 2.212 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.638 4.363 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.048 4.163 -7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.161 2.347 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.574 3.383 -9.801 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.140 1.114 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.987 0.903 -9.342 1.00 0.00 H new ATOM 0 HE ARG A 20 6.987 2.241 -6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.270 1.923 -10.443 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.946 2.480 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.140 2.957 -6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.001 3.063 -8.526 1.00 0.00 H new ATOM 265 N LEU A 21 3.396 4.568 -5.431 1.00 0.00 N ATOM 266 CA LEU A 21 2.781 5.524 -4.516 1.00 0.00 C ATOM 267 C LEU A 21 3.381 6.915 -4.697 1.00 0.00 C ATOM 268 O LEU A 21 4.526 7.057 -5.124 1.00 0.00 O ATOM 269 CB LEU A 21 2.961 5.062 -3.068 1.00 0.00 C ATOM 270 CG LEU A 21 4.312 4.432 -2.728 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.451 5.310 -3.223 1.00 0.00 C ATOM 272 CD2 LEU A 21 4.429 4.198 -1.229 1.00 0.00 C ATOM 0 H LEU A 21 4.416 4.572 -5.422 1.00 0.00 H new ATOM 0 HA LEU A 21 1.717 5.576 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.807 5.919 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.178 4.340 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 21 4.379 3.468 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.404 4.845 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.378 5.426 -4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.388 6.289 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.397 3.749 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.340 5.149 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.634 3.528 -0.902 1.00 0.00 H new ATOM 284 N SER A 22 2.599 7.938 -4.366 1.00 0.00 N ATOM 285 CA SER A 22 3.052 9.318 -4.494 1.00 0.00 C ATOM 286 C SER A 22 2.489 10.181 -3.369 1.00 0.00 C ATOM 287 O SER A 22 1.558 9.780 -2.671 1.00 0.00 O ATOM 288 CB SER A 22 2.635 9.891 -5.849 1.00 0.00 C ATOM 289 OG SER A 22 3.648 10.725 -6.384 1.00 0.00 O ATOM 0 H SER A 22 1.649 7.837 -4.007 1.00 0.00 H new ATOM 0 HA SER A 22 4.140 9.325 -4.424 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.426 9.077 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.712 10.460 -5.738 1.00 0.00 H new ATOM 0 HG SER A 22 3.300 11.202 -7.166 1.00 0.00 H new ATOM 295 N GLY A 23 3.061 11.369 -3.199 1.00 0.00 N ATOM 296 CA GLY A 23 2.604 12.271 -2.158 1.00 0.00 C ATOM 297 C GLY A 23 2.689 11.652 -0.777 1.00 0.00 C ATOM 298 O GLY A 23 3.483 10.741 -0.545 1.00 0.00 O ATOM 0 H GLY A 23 3.833 11.723 -3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.202 13.182 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.573 12.561 -2.360 1.00 0.00 H new ATOM 302 N GLY A 24 1.869 12.149 0.144 1.00 0.00 N ATOM 303 CA GLY A 24 1.872 11.628 1.499 1.00 0.00 C ATOM 304 C GLY A 24 1.401 12.650 2.514 1.00 0.00 C ATOM 305 O GLY A 24 1.527 13.856 2.296 1.00 0.00 O ATOM 0 H GLY A 24 1.203 12.903 -0.024 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.230 10.749 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.879 11.302 1.757 1.00 0.00 H new ATOM 309 N ILE A 25 0.855 12.169 3.626 1.00 0.00 N ATOM 310 CA ILE A 25 0.362 13.050 4.678 1.00 0.00 C ATOM 311 C ILE A 25 1.489 13.899 5.256 1.00 0.00 C ATOM 312 O ILE A 25 1.244 14.896 5.936 1.00 0.00 O ATOM 313 CB ILE A 25 -0.301 12.252 5.816 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.678 11.221 6.382 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.567 11.572 5.318 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.447 10.909 7.844 1.00 0.00 C ATOM 0 H ILE A 25 0.743 11.174 3.822 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.383 13.702 4.221 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.574 12.943 6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.597 10.300 5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.696 11.589 6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.024 11.012 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.267 12.326 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.318 10.890 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.176 10.171 8.178 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.557 11.820 8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.559 10.511 7.976 1.00 0.00 H new ATOM 328 N ASP A 26 2.726 13.498 4.981 1.00 0.00 N ATOM 329 CA ASP A 26 3.892 14.223 5.472 1.00 0.00 C ATOM 330 C ASP A 26 4.312 15.308 4.485 1.00 0.00 C ATOM 331 O ASP A 26 4.824 16.356 4.879 1.00 0.00 O ATOM 332 CB ASP A 26 5.054 13.259 5.714 1.00 0.00 C ATOM 333 CG ASP A 26 6.322 13.975 6.135 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.721 14.934 5.442 1.00 0.00 O ATOM 335 OD2 ASP A 26 6.916 13.576 7.159 1.00 0.00 O ATOM 0 H ASP A 26 2.947 12.675 4.421 1.00 0.00 H new ATOM 0 HA ASP A 26 3.623 14.699 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.772 12.541 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.246 12.691 4.804 1.00 0.00 H new ATOM 340 N PHE A 27 4.094 15.048 3.200 1.00 0.00 N ATOM 341 CA PHE A 27 4.452 16.001 2.156 1.00 0.00 C ATOM 342 C PHE A 27 3.295 16.954 1.869 1.00 0.00 C ATOM 343 O PHE A 27 3.319 17.700 0.891 1.00 0.00 O ATOM 344 CB PHE A 27 4.848 15.263 0.876 1.00 0.00 C ATOM 345 CG PHE A 27 6.159 14.537 0.984 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.230 13.296 1.595 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.319 15.096 0.474 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.434 12.625 1.696 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.526 14.430 0.572 1.00 0.00 C ATOM 350 CZ PHE A 27 8.584 13.193 1.185 1.00 0.00 C ATOM 0 H PHE A 27 3.671 14.185 2.857 1.00 0.00 H new ATOM 0 HA PHE A 27 5.302 16.585 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.066 14.548 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.905 15.979 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.334 12.847 1.997 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.280 16.063 -0.006 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.475 11.657 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.423 14.876 0.170 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.527 12.672 1.264 1.00 0.00 H new ATOM 360 N ASN A 28 2.283 16.922 2.730 1.00 0.00 N ATOM 361 CA ASN A 28 1.115 17.781 2.569 1.00 0.00 C ATOM 362 C ASN A 28 0.458 17.558 1.211 1.00 0.00 C ATOM 363 O ASN A 28 0.010 18.505 0.564 1.00 0.00 O ATOM 364 CB ASN A 28 1.513 19.251 2.720 1.00 0.00 C ATOM 365 CG ASN A 28 1.753 19.639 4.167 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.869 19.994 4.549 1.00 0.00 O ATOM 367 ND2 ASN A 28 0.705 19.574 4.979 1.00 0.00 N ATOM 0 H ASN A 28 2.248 16.311 3.546 1.00 0.00 H new ATOM 0 HA ASN A 28 0.396 17.524 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.417 19.441 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.728 19.882 2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.806 19.824 5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.201 19.274 4.619 1.00 0.00 H new ATOM 374 N GLN A 29 0.404 16.300 0.785 1.00 0.00 N ATOM 375 CA GLN A 29 -0.198 15.953 -0.496 1.00 0.00 C ATOM 376 C GLN A 29 -0.935 14.620 -0.408 1.00 0.00 C ATOM 377 O GLN A 29 -0.615 13.759 0.412 1.00 0.00 O ATOM 378 CB GLN A 29 0.873 15.886 -1.586 1.00 0.00 C ATOM 379 CG GLN A 29 1.140 17.222 -2.260 1.00 0.00 C ATOM 380 CD GLN A 29 -0.068 17.750 -3.008 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.792 18.614 -2.511 1.00 0.00 O ATOM 382 NE2 GLN A 29 -0.293 17.233 -4.210 1.00 0.00 N ATOM 0 H GLN A 29 0.770 15.505 1.308 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.919 16.730 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.801 15.517 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.566 15.162 -2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.443 17.950 -1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.974 17.114 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.333 16.519 -4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.091 17.550 -4.760 1.00 0.00 H new ATOM 391 N PRO A 30 -1.946 14.444 -1.273 1.00 0.00 N ATOM 392 CA PRO A 30 -2.749 13.218 -1.312 1.00 0.00 C ATOM 393 C PRO A 30 -1.959 12.025 -1.840 1.00 0.00 C ATOM 394 O PRO A 30 -1.172 12.155 -2.779 1.00 0.00 O ATOM 395 CB PRO A 30 -3.889 13.572 -2.271 1.00 0.00 C ATOM 396 CG PRO A 30 -3.332 14.645 -3.141 1.00 0.00 C ATOM 397 CD PRO A 30 -2.382 15.428 -2.278 1.00 0.00 C ATOM 0 HA PRO A 30 -3.086 12.919 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.196 12.706 -2.858 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.769 13.918 -1.729 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -2.817 14.220 -4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.125 15.285 -3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.541 15.814 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.872 16.285 -1.816 1.00 0.00 H new ATOM 405 N LEU A 31 -2.175 10.864 -1.233 1.00 0.00 N ATOM 406 CA LEU A 31 -1.484 9.646 -1.642 1.00 0.00 C ATOM 407 C LEU A 31 -2.049 9.115 -2.956 1.00 0.00 C ATOM 408 O LEU A 31 -3.150 8.566 -2.993 1.00 0.00 O ATOM 409 CB LEU A 31 -1.602 8.578 -0.554 1.00 0.00 C ATOM 410 CG LEU A 31 -0.622 8.698 0.614 1.00 0.00 C ATOM 411 CD1 LEU A 31 -1.028 7.770 1.749 1.00 0.00 C ATOM 412 CD2 LEU A 31 0.796 8.391 0.153 1.00 0.00 C ATOM 0 H LEU A 31 -2.823 10.740 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.432 9.888 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.616 8.605 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.467 7.600 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.649 9.723 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.319 7.869 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.026 8.036 2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.030 6.740 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.480 8.481 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.838 7.376 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.086 9.096 -0.626 1.00 0.00 H new ATOM 424 N VAL A 32 -1.286 9.279 -4.032 1.00 0.00 N ATOM 425 CA VAL A 32 -1.709 8.813 -5.347 1.00 0.00 C ATOM 426 C VAL A 32 -0.620 7.977 -6.010 1.00 0.00 C ATOM 427 O VAL A 32 0.571 8.211 -5.800 1.00 0.00 O ATOM 428 CB VAL A 32 -2.070 9.992 -6.271 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.536 10.365 -6.113 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.173 11.187 -5.984 1.00 0.00 C ATOM 0 H VAL A 32 -0.372 9.731 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.595 8.196 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.908 9.685 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.772 11.199 -6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.159 9.509 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.729 10.654 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.442 12.011 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.301 11.498 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.133 10.910 -6.154 1.00 0.00 H new ATOM 440 N ILE A 33 -1.036 7.003 -6.812 1.00 0.00 N ATOM 441 CA ILE A 33 -0.096 6.132 -7.507 1.00 0.00 C ATOM 442 C ILE A 33 0.734 6.916 -8.519 1.00 0.00 C ATOM 443 O ILE A 33 0.221 7.798 -9.209 1.00 0.00 O ATOM 444 CB ILE A 33 -0.822 4.986 -8.234 1.00 0.00 C ATOM 445 CG1 ILE A 33 -1.524 4.076 -7.224 1.00 0.00 C ATOM 446 CG2 ILE A 33 0.160 4.189 -9.080 1.00 0.00 C ATOM 447 CD1 ILE A 33 -2.752 3.389 -7.781 1.00 0.00 C ATOM 0 H ILE A 33 -2.018 6.797 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 33 0.563 5.710 -6.748 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.576 5.414 -8.894 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.820 3.319 -6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.811 4.666 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.369 3.382 -9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.618 4.845 -9.820 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.935 3.768 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.198 2.760 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.475 4.139 -8.101 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.468 2.772 -8.633 1.00 0.00 H new ATOM 459 N THR A 34 2.019 6.588 -8.603 1.00 0.00 N ATOM 460 CA THR A 34 2.920 7.260 -9.530 1.00 0.00 C ATOM 461 C THR A 34 3.052 6.479 -10.833 1.00 0.00 C ATOM 462 O THR A 34 3.458 7.027 -11.858 1.00 0.00 O ATOM 463 CB THR A 34 4.320 7.450 -8.916 1.00 0.00 C ATOM 464 OG1 THR A 34 4.728 6.251 -8.247 1.00 0.00 O ATOM 465 CG2 THR A 34 4.326 8.612 -7.934 1.00 0.00 C ATOM 0 H THR A 34 2.459 5.860 -8.040 1.00 0.00 H new ATOM 0 HA THR A 34 2.486 8.238 -9.738 1.00 0.00 H new ATOM 0 HB THR A 34 5.020 7.672 -9.722 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.718 6.397 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.325 8.727 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.043 9.528 -8.452 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.615 8.414 -7.132 1.00 0.00 H new ATOM 473 N ARG A 35 2.705 5.197 -10.786 1.00 0.00 N ATOM 474 CA ARG A 35 2.785 4.340 -11.963 1.00 0.00 C ATOM 475 C ARG A 35 2.086 3.007 -11.714 1.00 0.00 C ATOM 476 O ARG A 35 1.851 2.623 -10.568 1.00 0.00 O ATOM 477 CB ARG A 35 4.246 4.098 -12.346 1.00 0.00 C ATOM 478 CG ARG A 35 4.457 3.877 -13.835 1.00 0.00 C ATOM 479 CD ARG A 35 4.299 5.171 -14.618 1.00 0.00 C ATOM 480 NE ARG A 35 5.399 6.099 -14.370 1.00 0.00 N ATOM 481 CZ ARG A 35 6.570 6.035 -14.994 1.00 0.00 C ATOM 482 NH1 ARG A 35 6.791 5.091 -15.898 1.00 0.00 N ATOM 483 NH2 ARG A 35 7.521 6.916 -14.714 1.00 0.00 N ATOM 0 H ARG A 35 2.366 4.729 -9.946 1.00 0.00 H new ATOM 0 HA ARG A 35 2.280 4.847 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.843 4.952 -12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.616 3.229 -11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.452 3.466 -14.006 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.741 3.140 -14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.248 4.946 -15.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.356 5.646 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 35 5.261 6.837 -13.680 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.061 4.412 -16.115 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.691 5.043 -16.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.354 7.644 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 35 8.420 6.866 -15.194 1.00 0.00 H new ATOM 497 N ILE A 36 1.755 2.308 -12.794 1.00 0.00 N ATOM 498 CA ILE A 36 1.083 1.018 -12.692 1.00 0.00 C ATOM 499 C ILE A 36 1.666 0.015 -13.682 1.00 0.00 C ATOM 500 O ILE A 36 1.843 0.320 -14.862 1.00 0.00 O ATOM 501 CB ILE A 36 -0.431 1.150 -12.944 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.113 1.813 -11.745 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.043 -0.215 -13.220 1.00 0.00 C ATOM 504 CD1 ILE A 36 -0.899 1.074 -10.443 1.00 0.00 C ATOM 0 H ILE A 36 1.941 2.613 -13.750 1.00 0.00 H new ATOM 0 HA ILE A 36 1.244 0.658 -11.676 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.585 1.779 -13.820 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.738 2.831 -11.641 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.183 1.886 -11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.113 -0.105 -13.396 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.573 -0.653 -14.101 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.882 -0.866 -12.361 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.410 1.601 -9.637 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.300 0.064 -10.528 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.168 1.024 -10.224 1.00 0.00 H new ATOM 516 N THR A 37 1.962 -1.186 -13.194 1.00 0.00 N ATOM 517 CA THR A 37 2.524 -2.235 -14.035 1.00 0.00 C ATOM 518 C THR A 37 1.586 -2.578 -15.187 1.00 0.00 C ATOM 519 O THR A 37 0.456 -3.024 -14.987 1.00 0.00 O ATOM 520 CB THR A 37 2.810 -3.513 -13.223 1.00 0.00 C ATOM 521 OG1 THR A 37 3.656 -3.206 -12.109 1.00 0.00 O ATOM 522 CG2 THR A 37 3.472 -4.570 -14.094 1.00 0.00 C ATOM 0 H THR A 37 1.822 -1.456 -12.220 1.00 0.00 H new ATOM 0 HA THR A 37 3.462 -1.850 -14.436 1.00 0.00 H new ATOM 0 HB THR A 37 1.861 -3.907 -12.860 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.399 -2.339 -11.732 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.664 -5.463 -13.499 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.813 -4.822 -14.925 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.414 -4.183 -14.483 1.00 0.00 H new ATOM 530 N PRO A 38 2.063 -2.367 -16.422 1.00 0.00 N ATOM 531 CA PRO A 38 1.283 -2.649 -17.631 1.00 0.00 C ATOM 532 C PRO A 38 1.084 -4.144 -17.857 1.00 0.00 C ATOM 533 O PRO A 38 2.030 -4.866 -18.168 1.00 0.00 O ATOM 534 CB PRO A 38 2.135 -2.047 -18.751 1.00 0.00 C ATOM 535 CG PRO A 38 3.526 -2.058 -18.217 1.00 0.00 C ATOM 536 CD PRO A 38 3.402 -1.838 -16.735 1.00 0.00 C ATOM 0 HA PRO A 38 0.277 -2.234 -17.573 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.058 -2.634 -19.666 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.812 -1.035 -18.993 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.019 -3.006 -18.431 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.128 -1.275 -18.679 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.181 -2.365 -16.184 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.487 -0.782 -16.477 1.00 0.00 H new ATOM 544 N GLY A 39 -0.154 -4.602 -17.700 1.00 0.00 N ATOM 545 CA GLY A 39 -0.455 -6.008 -17.892 1.00 0.00 C ATOM 546 C GLY A 39 0.025 -6.866 -16.738 1.00 0.00 C ATOM 547 O GLY A 39 0.907 -7.708 -16.906 1.00 0.00 O ATOM 0 H GLY A 39 -0.954 -4.024 -17.443 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.531 -6.133 -18.011 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.010 -6.353 -18.815 1.00 0.00 H new ATOM 551 N SER A 40 -0.556 -6.651 -15.561 1.00 0.00 N ATOM 552 CA SER A 40 -0.178 -7.408 -14.373 1.00 0.00 C ATOM 553 C SER A 40 -1.276 -7.343 -13.316 1.00 0.00 C ATOM 554 O SER A 40 -2.351 -6.790 -13.553 1.00 0.00 O ATOM 555 CB SER A 40 1.133 -6.871 -13.796 1.00 0.00 C ATOM 556 OG SER A 40 0.889 -5.899 -12.794 1.00 0.00 O ATOM 0 H SER A 40 -1.289 -5.960 -15.405 1.00 0.00 H new ATOM 0 HA SER A 40 -0.039 -8.449 -14.665 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.713 -7.693 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.733 -6.433 -14.594 1.00 0.00 H new ATOM 0 HG SER A 40 1.615 -5.919 -12.136 1.00 0.00 H new ATOM 562 N LYS A 41 -0.999 -7.912 -12.148 1.00 0.00 N ATOM 563 CA LYS A 41 -1.960 -7.919 -11.052 1.00 0.00 C ATOM 564 C LYS A 41 -2.361 -6.498 -10.671 1.00 0.00 C ATOM 565 O LYS A 41 -3.461 -6.267 -10.170 1.00 0.00 O ATOM 566 CB LYS A 41 -1.373 -8.639 -9.836 1.00 0.00 C ATOM 567 CG LYS A 41 -1.020 -10.092 -10.101 1.00 0.00 C ATOM 568 CD LYS A 41 -0.118 -10.653 -9.014 1.00 0.00 C ATOM 569 CE LYS A 41 0.580 -11.925 -9.471 1.00 0.00 C ATOM 570 NZ LYS A 41 1.796 -12.212 -8.660 1.00 0.00 N ATOM 0 H LYS A 41 -0.115 -8.375 -11.936 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.851 -8.451 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.478 -8.110 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.089 -8.592 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.933 -10.685 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.523 -10.176 -11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.627 -9.907 -8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.708 -10.861 -8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.111 -12.765 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.858 -11.830 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.243 -13.086 -9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.467 -11.422 -8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.528 -12.328 -7.662 1.00 0.00 H new ATOM 584 N ALA A 42 -1.463 -5.549 -10.912 1.00 0.00 N ATOM 585 CA ALA A 42 -1.725 -4.150 -10.598 1.00 0.00 C ATOM 586 C ALA A 42 -2.787 -3.569 -11.524 1.00 0.00 C ATOM 587 O ALA A 42 -3.924 -3.339 -11.113 1.00 0.00 O ATOM 588 CB ALA A 42 -0.441 -3.339 -10.689 1.00 0.00 C ATOM 0 H ALA A 42 -0.547 -5.724 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.103 -4.097 -9.577 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.652 -2.296 -10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.288 -3.732 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.038 -3.407 -11.700 1.00 0.00 H new ATOM 594 N ALA A 43 -2.409 -3.333 -12.776 1.00 0.00 N ATOM 595 CA ALA A 43 -3.330 -2.779 -13.761 1.00 0.00 C ATOM 596 C ALA A 43 -4.544 -3.683 -13.946 1.00 0.00 C ATOM 597 O ALA A 43 -5.679 -3.211 -14.003 1.00 0.00 O ATOM 598 CB ALA A 43 -2.618 -2.569 -15.089 1.00 0.00 C ATOM 0 H ALA A 43 -1.471 -3.517 -13.132 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.681 -1.815 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.317 -2.155 -15.815 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.787 -1.878 -14.951 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.239 -3.524 -15.454 1.00 0.00 H new ATOM 604 N ALA A 44 -4.297 -4.986 -14.041 1.00 0.00 N ATOM 605 CA ALA A 44 -5.370 -5.956 -14.219 1.00 0.00 C ATOM 606 C ALA A 44 -6.440 -5.794 -13.144 1.00 0.00 C ATOM 607 O ALA A 44 -7.547 -6.315 -13.274 1.00 0.00 O ATOM 608 CB ALA A 44 -4.811 -7.371 -14.201 1.00 0.00 C ATOM 0 H ALA A 44 -3.363 -5.394 -13.998 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.835 -5.773 -15.188 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.624 -8.085 -14.335 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.089 -7.487 -15.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.319 -7.556 -13.246 1.00 0.00 H new ATOM 614 N ALA A 45 -6.100 -5.071 -12.082 1.00 0.00 N ATOM 615 CA ALA A 45 -7.032 -4.840 -10.985 1.00 0.00 C ATOM 616 C ALA A 45 -7.654 -3.451 -11.075 1.00 0.00 C ATOM 617 O ALA A 45 -8.073 -2.882 -10.069 1.00 0.00 O ATOM 618 CB ALA A 45 -6.328 -5.020 -9.648 1.00 0.00 C ATOM 0 H ALA A 45 -5.186 -4.635 -11.958 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.834 -5.574 -11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.036 -4.845 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.938 -6.035 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.505 -4.309 -9.571 1.00 0.00 H new ATOM 624 N ASN A 46 -7.709 -2.910 -12.288 1.00 0.00 N ATOM 625 CA ASN A 46 -8.278 -1.586 -12.510 1.00 0.00 C ATOM 626 C ASN A 46 -7.449 -0.514 -11.810 1.00 0.00 C ATOM 627 O ASN A 46 -7.985 0.487 -11.331 1.00 0.00 O ATOM 628 CB ASN A 46 -9.723 -1.539 -12.008 1.00 0.00 C ATOM 629 CG ASN A 46 -10.492 -2.803 -12.340 1.00 0.00 C ATOM 630 OD1 ASN A 46 -10.578 -3.203 -13.502 1.00 0.00 O ATOM 631 ND2 ASN A 46 -11.057 -3.437 -11.320 1.00 0.00 N ATOM 0 H ASN A 46 -7.366 -3.368 -13.132 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.266 -1.387 -13.582 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.725 -1.389 -10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.231 -0.682 -12.450 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.589 -4.292 -11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.960 -3.069 -10.374 1.00 0.00 H new ATOM 638 N LEU A 47 -6.140 -0.729 -11.753 1.00 0.00 N ATOM 639 CA LEU A 47 -5.235 0.220 -11.112 1.00 0.00 C ATOM 640 C LEU A 47 -4.650 1.190 -12.134 1.00 0.00 C ATOM 641 O LEU A 47 -4.344 0.807 -13.264 1.00 0.00 O ATOM 642 CB LEU A 47 -4.108 -0.525 -10.396 1.00 0.00 C ATOM 643 CG LEU A 47 -4.534 -1.454 -9.258 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.319 -2.112 -8.622 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.334 -0.687 -8.215 1.00 0.00 C ATOM 0 H LEU A 47 -5.681 -1.552 -12.143 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.806 0.792 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.563 -1.114 -11.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.410 0.211 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.170 -2.236 -9.672 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.642 -2.769 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.786 -2.695 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.657 -1.344 -8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.629 -1.363 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.722 0.117 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.225 -0.264 -8.679 1.00 0.00 H new ATOM 657 N CYS A 48 -4.496 2.445 -11.728 1.00 0.00 N ATOM 658 CA CYS A 48 -3.946 3.471 -12.608 1.00 0.00 C ATOM 659 C CYS A 48 -3.317 4.601 -11.799 1.00 0.00 C ATOM 660 O CYS A 48 -3.732 4.901 -10.680 1.00 0.00 O ATOM 661 CB CYS A 48 -5.038 4.028 -13.521 1.00 0.00 C ATOM 662 SG CYS A 48 -6.271 5.038 -12.667 1.00 0.00 S ATOM 0 H CYS A 48 -4.744 2.777 -10.796 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.170 3.012 -13.220 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.572 4.627 -14.303 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.543 3.197 -14.014 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.834 5.346 -11.482 1.00 0.00 H new ATOM 668 N PRO A 49 -2.290 5.242 -12.377 1.00 0.00 N ATOM 669 CA PRO A 49 -1.581 6.348 -11.727 1.00 0.00 C ATOM 670 C PRO A 49 -2.437 7.605 -11.626 1.00 0.00 C ATOM 671 O PRO A 49 -2.512 8.394 -12.567 1.00 0.00 O ATOM 672 CB PRO A 49 -0.381 6.589 -12.647 1.00 0.00 C ATOM 673 CG PRO A 49 -0.821 6.093 -13.981 1.00 0.00 C ATOM 674 CD PRO A 49 -1.743 4.936 -13.709 1.00 0.00 C ATOM 0 HA PRO A 49 -1.306 6.109 -10.700 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.117 7.646 -12.685 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.501 6.053 -12.296 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.333 6.877 -14.539 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.033 5.779 -14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.530 4.864 -14.460 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.209 3.986 -13.715 1.00 0.00 H new ATOM 682 N GLY A 50 -3.081 7.787 -10.477 1.00 0.00 N ATOM 683 CA GLY A 50 -3.923 8.952 -10.275 1.00 0.00 C ATOM 684 C GLY A 50 -4.958 8.737 -9.188 1.00 0.00 C ATOM 685 O GLY A 50 -5.534 9.695 -8.673 1.00 0.00 O ATOM 0 H GLY A 50 -3.035 7.149 -9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.299 9.807 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.427 9.199 -11.209 1.00 0.00 H new ATOM 689 N ASP A 51 -5.194 7.478 -8.839 1.00 0.00 N ATOM 690 CA ASP A 51 -6.167 7.140 -7.806 1.00 0.00 C ATOM 691 C ASP A 51 -5.666 7.562 -6.428 1.00 0.00 C ATOM 692 O ASP A 51 -4.464 7.547 -6.163 1.00 0.00 O ATOM 693 CB ASP A 51 -6.457 5.639 -7.820 1.00 0.00 C ATOM 694 CG ASP A 51 -7.613 5.281 -8.733 1.00 0.00 C ATOM 695 OD1 ASP A 51 -8.603 6.041 -8.764 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.528 4.239 -9.417 1.00 0.00 O ATOM 0 H ASP A 51 -4.725 6.674 -9.256 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.089 7.682 -8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.564 5.102 -8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.681 5.306 -6.807 1.00 0.00 H new ATOM 701 N VAL A 52 -6.595 7.938 -5.555 1.00 0.00 N ATOM 702 CA VAL A 52 -6.247 8.363 -4.205 1.00 0.00 C ATOM 703 C VAL A 52 -6.403 7.218 -3.210 1.00 0.00 C ATOM 704 O VAL A 52 -7.471 6.616 -3.105 1.00 0.00 O ATOM 705 CB VAL A 52 -7.119 9.548 -3.748 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.712 10.004 -2.355 1.00 0.00 C ATOM 707 CG2 VAL A 52 -7.023 10.695 -4.743 1.00 0.00 C ATOM 0 H VAL A 52 -7.594 7.957 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.204 8.677 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.157 9.219 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.339 10.842 -2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.837 9.181 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.668 10.317 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.645 11.523 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.987 11.026 -4.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.368 10.358 -5.721 1.00 0.00 H new ATOM 717 N ILE A 53 -5.330 6.924 -2.483 1.00 0.00 N ATOM 718 CA ILE A 53 -5.349 5.852 -1.496 1.00 0.00 C ATOM 719 C ILE A 53 -5.925 6.335 -0.170 1.00 0.00 C ATOM 720 O ILE A 53 -5.236 6.982 0.620 1.00 0.00 O ATOM 721 CB ILE A 53 -3.937 5.285 -1.253 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.261 4.954 -2.585 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.007 4.051 -0.367 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.524 3.543 -3.062 1.00 0.00 C ATOM 0 H ILE A 53 -4.438 7.413 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.984 5.064 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.341 6.041 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.608 5.656 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.186 5.100 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.002 3.662 -0.205 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.453 4.316 0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.617 3.289 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.014 3.379 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.152 2.834 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.596 3.398 -3.196 1.00 0.00 H new ATOM 736 N LEU A 54 -7.192 6.017 0.070 1.00 0.00 N ATOM 737 CA LEU A 54 -7.862 6.417 1.302 1.00 0.00 C ATOM 738 C LEU A 54 -7.394 5.566 2.478 1.00 0.00 C ATOM 739 O LEU A 54 -7.077 6.087 3.547 1.00 0.00 O ATOM 740 CB LEU A 54 -9.379 6.297 1.144 1.00 0.00 C ATOM 741 CG LEU A 54 -10.048 7.355 0.266 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.480 6.955 -0.056 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.014 8.714 0.950 1.00 0.00 C ATOM 0 H LEU A 54 -7.776 5.483 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.605 7.457 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.604 5.314 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.832 6.337 2.135 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.493 7.426 -0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.940 7.720 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.481 6.003 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.047 6.855 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -10.494 9.455 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.544 8.656 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.979 9.005 1.129 1.00 0.00 H new ATOM 755 N ALA A 55 -7.349 4.254 2.272 1.00 0.00 N ATOM 756 CA ALA A 55 -6.915 3.331 3.313 1.00 0.00 C ATOM 757 C ALA A 55 -6.001 2.251 2.743 1.00 0.00 C ATOM 758 O ALA A 55 -6.146 1.848 1.589 1.00 0.00 O ATOM 759 CB ALA A 55 -8.120 2.700 3.995 1.00 0.00 C ATOM 0 H ALA A 55 -7.608 3.806 1.393 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.348 3.897 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.781 2.013 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.734 3.481 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.710 2.154 3.259 1.00 0.00 H new ATOM 765 N ILE A 56 -5.060 1.788 3.559 1.00 0.00 N ATOM 766 CA ILE A 56 -4.123 0.755 3.136 1.00 0.00 C ATOM 767 C ILE A 56 -4.342 -0.538 3.914 1.00 0.00 C ATOM 768 O ILE A 56 -4.239 -0.561 5.141 1.00 0.00 O ATOM 769 CB ILE A 56 -2.663 1.210 3.318 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.329 2.332 2.332 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.715 0.035 3.132 1.00 0.00 C ATOM 772 CD1 ILE A 56 -0.978 2.967 2.576 1.00 0.00 C ATOM 0 H ILE A 56 -4.926 2.112 4.517 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.309 0.575 2.077 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.541 1.593 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.357 1.934 1.318 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.099 3.101 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.687 0.373 3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.941 -0.735 3.869 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.837 -0.375 2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.808 3.754 1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.953 3.395 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.199 2.210 2.485 1.00 0.00 H new ATOM 784 N ASP A 57 -4.643 -1.612 3.193 1.00 0.00 N ATOM 785 CA ASP A 57 -4.873 -2.911 3.815 1.00 0.00 C ATOM 786 C ASP A 57 -5.908 -2.803 4.931 1.00 0.00 C ATOM 787 O ASP A 57 -5.770 -3.427 5.982 1.00 0.00 O ATOM 788 CB ASP A 57 -3.563 -3.474 4.370 1.00 0.00 C ATOM 789 CG ASP A 57 -3.585 -4.985 4.482 1.00 0.00 C ATOM 790 OD1 ASP A 57 -4.255 -5.633 3.651 1.00 0.00 O ATOM 791 OD2 ASP A 57 -2.930 -5.521 5.401 1.00 0.00 O ATOM 0 H ASP A 57 -4.734 -1.609 2.177 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.256 -3.589 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.739 -3.172 3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.373 -3.042 5.353 1.00 0.00 H new ATOM 796 N GLY A 58 -6.945 -2.005 4.694 1.00 0.00 N ATOM 797 CA GLY A 58 -7.987 -1.828 5.688 1.00 0.00 C ATOM 798 C GLY A 58 -7.554 -0.930 6.830 1.00 0.00 C ATOM 799 O GLY A 58 -7.935 -1.149 7.980 1.00 0.00 O ATOM 0 H GLY A 58 -7.082 -1.478 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.871 -1.404 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.275 -2.801 6.085 1.00 0.00 H new ATOM 803 N PHE A 59 -6.753 0.082 6.513 1.00 0.00 N ATOM 804 CA PHE A 59 -6.265 1.015 7.522 1.00 0.00 C ATOM 805 C PHE A 59 -6.090 2.411 6.932 1.00 0.00 C ATOM 806 O PHE A 59 -5.142 2.669 6.190 1.00 0.00 O ATOM 807 CB PHE A 59 -4.937 0.523 8.102 1.00 0.00 C ATOM 808 CG PHE A 59 -4.992 -0.888 8.612 1.00 0.00 C ATOM 809 CD1 PHE A 59 -5.800 -1.220 9.688 1.00 0.00 C ATOM 810 CD2 PHE A 59 -4.236 -1.884 8.014 1.00 0.00 C ATOM 811 CE1 PHE A 59 -5.851 -2.518 10.159 1.00 0.00 C ATOM 812 CE2 PHE A 59 -4.284 -3.184 8.481 1.00 0.00 C ATOM 813 CZ PHE A 59 -5.093 -3.502 9.554 1.00 0.00 C ATOM 0 H PHE A 59 -6.428 0.277 5.566 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.005 1.068 8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.166 0.594 7.335 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.638 1.184 8.916 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.396 -0.456 10.164 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.602 -1.642 7.174 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.483 -2.763 11.000 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.689 -3.951 8.007 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.133 -4.518 9.919 1.00 0.00 H new ATOM 823 N GLY A 60 -7.011 3.309 7.267 1.00 0.00 N ATOM 824 CA GLY A 60 -6.941 4.668 6.761 1.00 0.00 C ATOM 825 C GLY A 60 -5.564 5.279 6.929 1.00 0.00 C ATOM 826 O GLY A 60 -4.870 5.005 7.909 1.00 0.00 O ATOM 0 H GLY A 60 -7.804 3.120 7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.211 4.674 5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.674 5.284 7.281 1.00 0.00 H new ATOM 830 N THR A 61 -5.166 6.109 5.971 1.00 0.00 N ATOM 831 CA THR A 61 -3.862 6.758 6.015 1.00 0.00 C ATOM 832 C THR A 61 -3.949 8.120 6.694 1.00 0.00 C ATOM 833 O THR A 61 -3.341 9.089 6.241 1.00 0.00 O ATOM 834 CB THR A 61 -3.275 6.938 4.602 1.00 0.00 C ATOM 835 OG1 THR A 61 -3.877 8.069 3.962 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.501 5.692 3.760 1.00 0.00 C ATOM 0 H THR A 61 -5.728 6.348 5.154 1.00 0.00 H new ATOM 0 HA THR A 61 -3.205 6.108 6.593 1.00 0.00 H new ATOM 0 HB THR A 61 -2.202 7.103 4.696 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.664 8.882 4.466 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.078 5.842 2.767 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.017 4.839 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.571 5.500 3.674 1.00 0.00 H new ATOM 844 N GLU A 62 -4.708 8.186 7.783 1.00 0.00 N ATOM 845 CA GLU A 62 -4.874 9.431 8.524 1.00 0.00 C ATOM 846 C GLU A 62 -3.560 9.857 9.174 1.00 0.00 C ATOM 847 O GLU A 62 -3.285 11.047 9.321 1.00 0.00 O ATOM 848 CB GLU A 62 -5.957 9.274 9.594 1.00 0.00 C ATOM 849 CG GLU A 62 -5.597 8.277 10.682 1.00 0.00 C ATOM 850 CD GLU A 62 -6.575 8.300 11.841 1.00 0.00 C ATOM 851 OE1 GLU A 62 -6.434 9.176 12.719 1.00 0.00 O ATOM 852 OE2 GLU A 62 -7.482 7.442 11.869 1.00 0.00 O ATOM 0 H GLU A 62 -5.218 7.392 8.172 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.179 10.205 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.148 10.245 10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.885 8.959 9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.568 7.274 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.595 8.495 11.052 1.00 0.00 H new ATOM 859 N SER A 63 -2.753 8.874 9.561 1.00 0.00 N ATOM 860 CA SER A 63 -1.470 9.146 10.199 1.00 0.00 C ATOM 861 C SER A 63 -0.367 8.288 9.587 1.00 0.00 C ATOM 862 O SER A 63 0.613 7.952 10.251 1.00 0.00 O ATOM 863 CB SER A 63 -1.559 8.884 11.704 1.00 0.00 C ATOM 864 OG SER A 63 -2.519 9.730 12.313 1.00 0.00 O ATOM 0 H SER A 63 -2.965 7.883 9.444 1.00 0.00 H new ATOM 0 HA SER A 63 -1.225 10.195 10.034 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.825 7.842 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.584 9.046 12.163 1.00 0.00 H new ATOM 0 HG SER A 63 -2.558 9.542 13.274 1.00 0.00 H new ATOM 870 N MET A 64 -0.535 7.938 8.316 1.00 0.00 N ATOM 871 CA MET A 64 0.447 7.120 7.613 1.00 0.00 C ATOM 872 C MET A 64 1.172 7.937 6.548 1.00 0.00 C ATOM 873 O MET A 64 0.656 8.142 5.449 1.00 0.00 O ATOM 874 CB MET A 64 -0.233 5.910 6.969 1.00 0.00 C ATOM 875 CG MET A 64 0.506 5.374 5.753 1.00 0.00 C ATOM 876 SD MET A 64 0.240 3.609 5.502 1.00 0.00 S ATOM 877 CE MET A 64 -1.521 3.485 5.804 1.00 0.00 C ATOM 0 H MET A 64 -1.341 8.208 7.752 1.00 0.00 H new ATOM 0 HA MET A 64 1.180 6.771 8.340 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.321 5.116 7.710 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.246 6.186 6.676 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.179 5.917 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.573 5.564 5.868 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.707 2.729 6.567 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.900 4.448 6.148 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.029 3.203 4.882 1.00 0.00 H new ATOM 887 N THR A 65 2.372 8.403 6.881 1.00 0.00 N ATOM 888 CA THR A 65 3.167 9.198 5.955 1.00 0.00 C ATOM 889 C THR A 65 3.765 8.328 4.855 1.00 0.00 C ATOM 890 O THR A 65 3.992 7.133 5.050 1.00 0.00 O ATOM 891 CB THR A 65 4.305 9.939 6.683 1.00 0.00 C ATOM 892 OG1 THR A 65 5.292 9.003 7.130 1.00 0.00 O ATOM 893 CG2 THR A 65 3.767 10.722 7.871 1.00 0.00 C ATOM 0 H THR A 65 2.814 8.243 7.786 1.00 0.00 H new ATOM 0 HA THR A 65 2.493 9.930 5.510 1.00 0.00 H new ATOM 0 HB THR A 65 4.760 10.639 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.012 9.482 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.588 11.237 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.037 11.454 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.289 10.037 8.572 1.00 0.00 H new ATOM 901 N HIS A 66 4.021 8.934 3.700 1.00 0.00 N ATOM 902 CA HIS A 66 4.594 8.213 2.569 1.00 0.00 C ATOM 903 C HIS A 66 5.559 7.131 3.047 1.00 0.00 C ATOM 904 O HIS A 66 5.419 5.961 2.694 1.00 0.00 O ATOM 905 CB HIS A 66 5.319 9.182 1.634 1.00 0.00 C ATOM 906 CG HIS A 66 5.308 8.751 0.200 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.164 8.353 -0.458 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.312 8.658 -0.704 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.463 8.033 -1.704 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.760 8.210 -1.879 1.00 0.00 N ATOM 0 H HIS A 66 3.841 9.922 3.523 1.00 0.00 H new ATOM 0 HA HIS A 66 3.780 7.735 2.024 1.00 0.00 H new ATOM 0 HB2 HIS A 66 4.856 10.165 1.713 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.352 9.289 1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.352 8.892 -0.533 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.766 7.686 -2.452 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.269 8.041 -2.746 1.00 0.00 H new ATOM 919 N ALA A 67 6.538 7.532 3.852 1.00 0.00 N ATOM 920 CA ALA A 67 7.524 6.597 4.378 1.00 0.00 C ATOM 921 C ALA A 67 6.849 5.390 5.020 1.00 0.00 C ATOM 922 O ALA A 67 7.279 4.252 4.830 1.00 0.00 O ATOM 923 CB ALA A 67 8.428 7.295 5.384 1.00 0.00 C ATOM 0 H ALA A 67 6.669 8.498 4.154 1.00 0.00 H new ATOM 0 HA ALA A 67 8.131 6.241 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.160 6.585 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.945 8.121 4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.827 7.679 6.208 1.00 0.00 H new ATOM 929 N ASP A 68 5.790 5.645 5.780 1.00 0.00 N ATOM 930 CA ASP A 68 5.054 4.579 6.450 1.00 0.00 C ATOM 931 C ASP A 68 4.468 3.603 5.435 1.00 0.00 C ATOM 932 O ASP A 68 4.639 2.390 5.554 1.00 0.00 O ATOM 933 CB ASP A 68 3.938 5.165 7.316 1.00 0.00 C ATOM 934 CG ASP A 68 4.473 5.898 8.530 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.643 6.332 8.495 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.720 6.039 9.517 1.00 0.00 O ATOM 0 H ASP A 68 5.422 6.581 5.948 1.00 0.00 H new ATOM 0 HA ASP A 68 5.751 4.037 7.089 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.338 5.850 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.276 4.363 7.642 1.00 0.00 H new ATOM 941 N ALA A 69 3.774 4.141 4.437 1.00 0.00 N ATOM 942 CA ALA A 69 3.163 3.318 3.400 1.00 0.00 C ATOM 943 C ALA A 69 4.161 2.309 2.841 1.00 0.00 C ATOM 944 O ALA A 69 3.797 1.178 2.518 1.00 0.00 O ATOM 945 CB ALA A 69 2.616 4.195 2.284 1.00 0.00 C ATOM 0 H ALA A 69 3.621 5.143 4.325 1.00 0.00 H new ATOM 0 HA ALA A 69 2.339 2.764 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.163 3.567 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.864 4.873 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.428 4.775 1.845 1.00 0.00 H new ATOM 951 N GLN A 70 5.418 2.725 2.730 1.00 0.00 N ATOM 952 CA GLN A 70 6.467 1.857 2.209 1.00 0.00 C ATOM 953 C GLN A 70 6.647 0.629 3.095 1.00 0.00 C ATOM 954 O GLN A 70 6.925 -0.466 2.605 1.00 0.00 O ATOM 955 CB GLN A 70 7.786 2.623 2.103 1.00 0.00 C ATOM 956 CG GLN A 70 7.689 3.891 1.271 1.00 0.00 C ATOM 957 CD GLN A 70 8.018 3.657 -0.191 1.00 0.00 C ATOM 958 OE1 GLN A 70 8.458 2.573 -0.574 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.805 4.675 -1.016 1.00 0.00 N ATOM 0 H GLN A 70 5.735 3.658 2.994 1.00 0.00 H new ATOM 0 HA GLN A 70 6.168 1.524 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.128 2.882 3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.542 1.970 1.667 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.681 4.298 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.369 4.640 1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.439 5.556 -0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.007 4.576 -2.011 1.00 0.00 H new ATOM 968 N ASP A 71 6.488 0.819 4.400 1.00 0.00 N ATOM 969 CA ASP A 71 6.633 -0.274 5.355 1.00 0.00 C ATOM 970 C ASP A 71 5.310 -1.008 5.545 1.00 0.00 C ATOM 971 O ASP A 71 5.266 -2.085 6.140 1.00 0.00 O ATOM 972 CB ASP A 71 7.134 0.258 6.698 1.00 0.00 C ATOM 973 CG ASP A 71 8.647 0.240 6.800 1.00 0.00 C ATOM 974 OD1 ASP A 71 9.299 1.035 6.091 1.00 0.00 O ATOM 975 OD2 ASP A 71 9.178 -0.568 7.590 1.00 0.00 O ATOM 0 H ASP A 71 6.259 1.719 4.821 1.00 0.00 H new ATOM 0 HA ASP A 71 7.364 -0.978 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.775 1.278 6.838 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.711 -0.342 7.504 1.00 0.00 H new ATOM 980 N ARG A 72 4.233 -0.417 5.038 1.00 0.00 N ATOM 981 CA ARG A 72 2.908 -1.013 5.155 1.00 0.00 C ATOM 982 C ARG A 72 2.570 -1.835 3.914 1.00 0.00 C ATOM 983 O ARG A 72 1.864 -2.841 3.997 1.00 0.00 O ATOM 984 CB ARG A 72 1.852 0.074 5.362 1.00 0.00 C ATOM 985 CG ARG A 72 1.598 0.406 6.823 1.00 0.00 C ATOM 986 CD ARG A 72 0.518 -0.485 7.417 1.00 0.00 C ATOM 987 NE ARG A 72 0.201 -0.117 8.794 1.00 0.00 N ATOM 988 CZ ARG A 72 0.902 -0.529 9.845 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.954 -1.318 9.676 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.551 -0.151 11.068 1.00 0.00 N ATOM 0 H ARG A 72 4.252 0.474 4.542 1.00 0.00 H new ATOM 0 HA ARG A 72 2.911 -1.676 6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.167 0.979 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.917 -0.248 4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.521 0.288 7.390 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.300 1.451 6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.383 -0.418 6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.847 -1.524 7.386 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.602 0.490 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.227 -1.610 8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.490 -1.633 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.258 0.456 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.090 -0.468 11.874 1.00 0.00 H new ATOM 1004 N ILE A 73 3.079 -1.401 2.766 1.00 0.00 N ATOM 1005 CA ILE A 73 2.832 -2.096 1.510 1.00 0.00 C ATOM 1006 C ILE A 73 3.712 -3.335 1.385 1.00 0.00 C ATOM 1007 O ILE A 73 3.263 -4.387 0.928 1.00 0.00 O ATOM 1008 CB ILE A 73 3.083 -1.178 0.299 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.081 -0.022 0.292 1.00 0.00 C ATOM 1010 CG2 ILE A 73 2.994 -1.972 -0.996 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.499 1.134 -0.591 1.00 0.00 C ATOM 0 H ILE A 73 3.665 -0.571 2.680 1.00 0.00 H new ATOM 0 HA ILE A 73 1.784 -2.396 1.517 1.00 0.00 H new ATOM 0 HB ILE A 73 4.088 -0.763 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.113 -0.393 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.948 0.340 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.174 -1.309 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.743 -2.764 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.001 -2.413 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.742 1.917 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.453 1.531 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.604 0.787 -1.619 1.00 0.00 H new ATOM 1023 N LYS A 74 4.969 -3.206 1.797 1.00 0.00 N ATOM 1024 CA LYS A 74 5.913 -4.315 1.735 1.00 0.00 C ATOM 1025 C LYS A 74 5.595 -5.360 2.799 1.00 0.00 C ATOM 1026 O LYS A 74 5.724 -6.561 2.561 1.00 0.00 O ATOM 1027 CB LYS A 74 7.344 -3.804 1.919 1.00 0.00 C ATOM 1028 CG LYS A 74 7.634 -3.298 3.321 1.00 0.00 C ATOM 1029 CD LYS A 74 9.050 -2.761 3.439 1.00 0.00 C ATOM 1030 CE LYS A 74 10.046 -3.872 3.731 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.542 -4.516 2.483 1.00 0.00 N ATOM 0 H LYS A 74 5.357 -2.343 2.178 1.00 0.00 H new ATOM 0 HA LYS A 74 5.823 -4.782 0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.041 -4.607 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.528 -3.000 1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.924 -2.513 3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.490 -4.107 4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.327 -2.257 2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.092 -2.015 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.889 -3.466 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.576 -4.624 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.106 -5.454 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.291 -3.926 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.576 -4.618 2.532 1.00 0.00 H new ATOM 1045 N ALA A 75 5.176 -4.896 3.972 1.00 0.00 N ATOM 1046 CA ALA A 75 4.836 -5.792 5.070 1.00 0.00 C ATOM 1047 C ALA A 75 3.363 -6.182 5.024 1.00 0.00 C ATOM 1048 O ALA A 75 2.877 -6.912 5.887 1.00 0.00 O ATOM 1049 CB ALA A 75 5.170 -5.141 6.404 1.00 0.00 C ATOM 0 H ALA A 75 5.064 -3.905 4.186 1.00 0.00 H new ATOM 0 HA ALA A 75 5.429 -6.700 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.911 -5.821 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.236 -4.918 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.602 -4.217 6.510 1.00 0.00 H new ATOM 1055 N ALA A 76 2.656 -5.690 4.011 1.00 0.00 N ATOM 1056 CA ALA A 76 1.239 -5.988 3.852 1.00 0.00 C ATOM 1057 C ALA A 76 0.976 -7.486 3.973 1.00 0.00 C ATOM 1058 O ALA A 76 1.904 -8.276 4.145 1.00 0.00 O ATOM 1059 CB ALA A 76 0.737 -5.469 2.513 1.00 0.00 C ATOM 0 H ALA A 76 3.043 -5.083 3.288 1.00 0.00 H new ATOM 0 HA ALA A 76 0.695 -5.484 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.323 -5.699 2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.881 -4.390 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.293 -5.946 1.706 1.00 0.00 H new ATOM 1065 N SER A 77 -0.294 -7.868 3.882 1.00 0.00 N ATOM 1066 CA SER A 77 -0.678 -9.271 3.986 1.00 0.00 C ATOM 1067 C SER A 77 -0.794 -9.906 2.604 1.00 0.00 C ATOM 1068 O SER A 77 -0.691 -9.224 1.584 1.00 0.00 O ATOM 1069 CB SER A 77 -2.007 -9.403 4.734 1.00 0.00 C ATOM 1070 OG SER A 77 -1.805 -9.399 6.136 1.00 0.00 O ATOM 0 H SER A 77 -1.074 -7.226 3.737 1.00 0.00 H new ATOM 0 HA SER A 77 0.098 -9.795 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.667 -8.582 4.456 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.505 -10.326 4.438 1.00 0.00 H new ATOM 0 HG SER A 77 -2.669 -9.483 6.591 1.00 0.00 H new ATOM 1076 N TYR A 78 -1.010 -11.217 2.578 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.137 -11.946 1.322 1.00 0.00 C ATOM 1078 C TYR A 78 -1.958 -11.150 0.311 1.00 0.00 C ATOM 1079 O TYR A 78 -1.790 -11.304 -0.898 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.787 -13.309 1.563 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.538 -13.843 0.364 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -3.779 -13.327 0.011 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -2.008 -14.864 -0.414 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -4.469 -13.811 -1.083 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -2.690 -15.354 -1.511 1.00 0.00 C ATOM 1086 CZ TYR A 78 -3.920 -14.825 -1.841 1.00 0.00 C ATOM 1087 OH TYR A 78 -4.604 -15.311 -2.932 1.00 0.00 O ATOM 0 H TYR A 78 -1.101 -11.796 3.413 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.137 -12.095 0.915 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.015 -14.025 1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.474 -13.231 2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.211 -12.534 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.046 -15.282 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.432 -13.398 -1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.262 -16.147 -2.107 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.079 -16.021 -3.357 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.845 -10.300 0.818 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.692 -9.480 -0.040 1.00 0.00 C ATOM 1099 C GLN A 79 -3.713 -8.032 0.439 1.00 0.00 C ATOM 1100 O GLN A 79 -3.888 -7.763 1.628 1.00 0.00 O ATOM 1101 CB GLN A 79 -5.116 -10.039 -0.071 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.752 -10.161 1.304 1.00 0.00 C ATOM 1103 CD GLN A 79 -6.416 -8.876 1.756 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.418 -8.432 1.007 1.00 0.00 O flip ATOM 1105 NE2 GLN A 79 -6.032 -8.288 2.768 1.00 0.00 N flip ATOM 0 H GLN A 79 -2.996 -10.161 1.817 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.277 -9.505 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.737 -9.395 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.102 -11.021 -0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.492 -10.962 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.989 -10.446 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.258 -8.665 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.488 -7.424 3.060 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.532 -7.103 -0.494 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.529 -5.682 -0.167 1.00 0.00 C ATOM 1116 C LEU A 80 -4.875 -5.044 -0.499 1.00 0.00 C ATOM 1117 O LEU A 80 -5.306 -5.046 -1.652 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.411 -4.966 -0.928 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.217 -3.485 -0.598 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -1.513 -3.325 0.740 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.432 -2.792 -1.702 1.00 0.00 C ATOM 0 H LEU A 80 -3.386 -7.309 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.354 -5.581 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.474 -5.487 -0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.609 -5.057 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.198 -3.016 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.383 -2.265 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.113 -3.786 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.537 -3.809 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.303 -1.739 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.454 -3.263 -1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.975 -2.877 -2.643 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.531 -4.498 0.518 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.827 -3.854 0.335 1.00 0.00 C ATOM 1135 C CYS A 81 -6.697 -2.337 0.413 1.00 0.00 C ATOM 1136 O CYS A 81 -6.560 -1.769 1.497 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.819 -4.348 1.389 1.00 0.00 C ATOM 1138 SG CYS A 81 -9.544 -4.327 0.848 1.00 0.00 S ATOM 0 H CYS A 81 -5.187 -4.488 1.478 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.199 -4.118 -0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.552 -5.365 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.722 -3.730 2.282 1.00 0.00 H new ATOM 0 HG CYS A 81 -10.305 -4.764 1.807 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.739 -1.685 -0.744 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.624 -0.232 -0.808 1.00 0.00 C ATOM 1146 C LEU A 82 -7.945 0.401 -1.235 1.00 0.00 C ATOM 1147 O LEU A 82 -8.472 0.100 -2.306 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.514 0.169 -1.782 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.114 -0.347 -1.453 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.242 -0.356 -2.699 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.476 0.497 -0.359 1.00 0.00 C ATOM 0 H LEU A 82 -6.852 -2.139 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.374 0.132 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.785 -0.185 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.476 1.257 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.202 -1.370 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.249 -0.726 -2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.690 -1.005 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.162 0.657 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.480 0.114 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.401 1.531 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.090 0.451 0.541 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.474 1.280 -0.392 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.731 1.959 -0.682 1.00 0.00 C ATOM 1165 C LYS A 83 -9.488 3.236 -1.481 1.00 0.00 C ATOM 1166 O LYS A 83 -8.764 4.128 -1.037 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.468 2.290 0.618 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.797 2.993 0.402 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.240 3.743 1.646 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.743 3.975 1.652 1.00 0.00 C ATOM 1171 NZ LYS A 83 -14.184 4.785 0.483 1.00 0.00 N ATOM 0 H LYS A 83 -8.051 1.539 0.499 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.347 1.289 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.640 1.368 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.830 2.920 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.710 3.689 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.556 2.261 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.955 3.178 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.723 4.701 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.259 3.015 1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.028 4.482 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.654 5.650 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.357 5.041 -0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.849 4.230 -0.093 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.099 3.317 -2.658 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.950 4.486 -3.516 1.00 0.00 C ATOM 1187 C ILE A 84 -11.190 5.372 -3.456 1.00 0.00 C ATOM 1188 O ILE A 84 -12.308 4.884 -3.294 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.692 4.081 -4.979 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.743 3.071 -5.445 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.292 3.505 -5.130 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.981 3.092 -6.938 1.00 0.00 C ATOM 0 H ILE A 84 -10.702 2.588 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.090 5.043 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.768 4.970 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -10.429 2.070 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.683 3.275 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.125 3.223 -6.170 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.557 4.253 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.190 2.625 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.738 2.351 -7.196 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -11.325 4.082 -7.238 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.052 2.858 -7.458 1.00 0.00 H new ATOM 1204 N ASP A 85 -10.984 6.678 -3.591 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.085 7.633 -3.555 1.00 0.00 C ATOM 1206 C ASP A 85 -12.901 7.570 -4.843 1.00 0.00 C ATOM 1207 O ASP A 85 -14.123 7.718 -4.823 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.551 9.051 -3.344 1.00 0.00 C ATOM 1209 CG ASP A 85 -12.619 10.108 -3.548 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.289 10.079 -4.602 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -12.785 10.963 -2.654 1.00 0.00 O ATOM 0 H ASP A 85 -10.065 7.099 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.735 7.370 -2.721 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.146 9.137 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.728 9.233 -4.035 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.216 7.351 -5.961 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.877 7.271 -7.258 1.00 0.00 C ATOM 1218 C ARG A 86 -13.321 8.653 -7.728 1.00 0.00 C ATOM 1219 O ARG A 86 -14.411 8.813 -8.277 1.00 0.00 O ATOM 1220 CB ARG A 86 -14.084 6.334 -7.182 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.396 5.635 -8.495 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.848 5.190 -8.558 1.00 0.00 C ATOM 1223 NE ARG A 86 -16.769 6.323 -8.540 1.00 0.00 N ATOM 1224 CZ ARG A 86 -18.059 6.227 -8.845 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -18.577 5.056 -9.189 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -18.833 7.304 -8.806 1.00 0.00 N ATOM 0 H ARG A 86 -11.204 7.226 -5.994 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.162 6.874 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.902 5.582 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.958 6.905 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.184 6.308 -9.326 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.744 4.770 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.009 4.606 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -16.063 4.535 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.402 7.238 -8.279 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.985 4.226 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.567 4.985 -9.423 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.438 8.207 -8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.823 7.229 -9.040 1.00 0.00 H new