USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 938 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 47 THR OG1 : rot -120:sc= -4.99! USER MOD Set 1.2: A 73 HIS :FLIP no HE2:sc= -23.4! C(o=-32!,f=-28!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -83:sc= 0.495 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -60:sc= -2.68! USER MOD Single : A 31 THR OG1 : rot 148:sc= -0.208! USER MOD Single : A 32 THR OG1 : rot -130:sc= -3.82! USER MOD Single : A 35 ASN : amide:sc= -1.88 K(o=-1.9,f=-8.8!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 114:sc= -3.95! USER MOD Single : A 57 MET CE :methyl 155:sc= -0.471 (180deg=-1.72) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.901 F(o=-1.7,f=-0.9) USER MOD Single : A 70 LYS NZ :NH3+ -153:sc= -0.0785 (180deg=-0.455) USER MOD Single : A 71 GLN : amide:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 157:sc= -0.215 (180deg=-0.542) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0586 USER MOD Single : A 84 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.343 K(o=-0.34,f=-3.6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 86:sc= -4.09! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 59:sc= 0.927 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 122 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 123 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -8.856 -15.066 -12.550 1.00 0.00 N ATOM 38 CA ARG A 3 -9.110 -13.723 -11.964 1.00 0.00 C ATOM 39 C ARG A 3 -7.791 -13.112 -11.503 1.00 0.00 C ATOM 40 O ARG A 3 -6.736 -13.701 -11.638 1.00 0.00 O ATOM 41 CB ARG A 3 -10.063 -13.857 -10.771 1.00 0.00 C ATOM 42 CG ARG A 3 -9.304 -14.417 -9.566 1.00 0.00 C ATOM 43 CD ARG A 3 -10.277 -14.653 -8.410 1.00 0.00 C ATOM 44 NE ARG A 3 -9.993 -15.978 -7.791 1.00 0.00 N ATOM 45 CZ ARG A 3 -10.822 -16.483 -6.920 1.00 0.00 C ATOM 46 NH1 ARG A 3 -11.325 -15.728 -5.983 1.00 0.00 N ATOM 47 NH2 ARG A 3 -11.148 -17.745 -6.989 1.00 0.00 N ATOM 0 HA ARG A 3 -9.563 -13.077 -12.716 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.491 -12.885 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.893 -14.515 -11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.811 -15.351 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.523 -13.721 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.176 -13.862 -7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.305 -14.620 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.150 -16.491 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.070 -14.742 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.973 -16.124 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.755 -18.334 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -11.796 -18.142 -6.309 1.00 0.00 H new ATOM 61 N GLY A 4 -7.847 -11.934 -10.961 1.00 0.00 N ATOM 62 CA GLY A 4 -6.602 -11.271 -10.485 1.00 0.00 C ATOM 63 C GLY A 4 -6.907 -10.423 -9.248 1.00 0.00 C ATOM 64 O GLY A 4 -8.036 -10.327 -8.809 1.00 0.00 O ATOM 0 H GLY A 4 -8.703 -11.397 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.848 -12.021 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.188 -10.644 -11.275 1.00 0.00 H new ATOM 68 N ILE A 5 -5.904 -9.807 -8.685 1.00 0.00 N ATOM 69 CA ILE A 5 -6.121 -8.962 -7.477 1.00 0.00 C ATOM 70 C ILE A 5 -5.222 -7.729 -7.564 1.00 0.00 C ATOM 71 O ILE A 5 -4.023 -7.807 -7.346 1.00 0.00 O ATOM 72 CB ILE A 5 -5.750 -9.754 -6.230 1.00 0.00 C ATOM 73 CG1 ILE A 5 -6.732 -10.905 -6.028 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.798 -8.834 -5.008 1.00 0.00 C ATOM 75 CD1 ILE A 5 -6.120 -11.947 -5.090 1.00 0.00 C ATOM 0 H ILE A 5 -4.939 -9.853 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.168 -8.662 -7.425 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.744 -10.156 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.666 -10.530 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.973 -11.363 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.533 -9.401 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.091 -8.015 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.804 -8.430 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.824 -12.767 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.198 -12.332 -5.526 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.902 -11.486 -4.127 1.00 0.00 H new ATOM 87 N VAL A 6 -5.790 -6.596 -7.889 1.00 0.00 N ATOM 88 CA VAL A 6 -4.977 -5.350 -8.009 1.00 0.00 C ATOM 89 C VAL A 6 -5.106 -4.501 -6.738 1.00 0.00 C ATOM 90 O VAL A 6 -6.111 -3.857 -6.510 1.00 0.00 O ATOM 91 CB VAL A 6 -5.477 -4.542 -9.224 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.221 -3.041 -9.022 1.00 0.00 C ATOM 93 CG2 VAL A 6 -4.735 -5.003 -10.479 1.00 0.00 C ATOM 0 H VAL A 6 -6.786 -6.481 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.929 -5.617 -8.142 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.549 -4.709 -9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.581 -2.490 -9.891 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.748 -2.699 -8.131 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.152 -2.867 -8.900 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.087 -4.433 -11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.665 -4.841 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.924 -6.064 -10.644 1.00 0.00 H new ATOM 103 N TRP A 7 -4.086 -4.468 -5.926 1.00 0.00 N ATOM 104 CA TRP A 7 -4.148 -3.629 -4.702 1.00 0.00 C ATOM 105 C TRP A 7 -3.413 -2.317 -4.999 1.00 0.00 C ATOM 106 O TRP A 7 -2.208 -2.215 -4.885 1.00 0.00 O ATOM 107 CB TRP A 7 -3.514 -4.385 -3.533 1.00 0.00 C ATOM 108 CG TRP A 7 -4.471 -5.458 -3.102 1.00 0.00 C ATOM 109 CD1 TRP A 7 -5.595 -5.803 -3.776 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.421 -6.327 -1.930 1.00 0.00 C ATOM 111 NE1 TRP A 7 -6.237 -6.818 -3.096 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.555 -7.177 -1.953 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.517 -6.461 -0.861 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.783 -8.122 -0.956 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -3.747 -7.415 0.147 1.00 0.00 C ATOM 116 CH2 TRP A 7 -4.878 -8.243 0.096 1.00 0.00 C ATOM 0 H TRP A 7 -3.216 -4.984 -6.058 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.178 -3.405 -4.423 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.562 -4.822 -3.833 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.307 -3.705 -2.707 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -5.934 -5.355 -4.698 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -7.109 -7.250 -3.402 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.643 -5.829 -0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.656 -8.757 -0.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.048 -7.510 0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.047 -8.974 0.872 1.00 0.00 H new ATOM 127 N VAL A 8 -4.149 -1.335 -5.443 1.00 0.00 N ATOM 128 CA VAL A 8 -3.547 -0.028 -5.831 1.00 0.00 C ATOM 129 C VAL A 8 -3.504 0.958 -4.657 1.00 0.00 C ATOM 130 O VAL A 8 -4.134 0.767 -3.633 1.00 0.00 O ATOM 131 CB VAL A 8 -4.420 0.567 -6.934 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.829 1.896 -7.407 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.504 -0.408 -8.109 1.00 0.00 C ATOM 0 H VAL A 8 -5.162 -1.385 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.521 -0.196 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.421 0.742 -6.540 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.457 2.314 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.784 2.593 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.824 1.730 -7.795 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.128 0.021 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.504 -0.593 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.940 -1.348 -7.771 1.00 0.00 H new ATOM 143 N VAL A 9 -2.774 2.035 -4.828 1.00 0.00 N ATOM 144 CA VAL A 9 -2.686 3.077 -3.767 1.00 0.00 C ATOM 145 C VAL A 9 -3.664 4.200 -4.126 1.00 0.00 C ATOM 146 O VAL A 9 -3.687 4.681 -5.243 1.00 0.00 O ATOM 147 CB VAL A 9 -1.263 3.635 -3.702 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.180 4.696 -2.603 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.287 2.496 -3.390 1.00 0.00 C ATOM 0 H VAL A 9 -2.231 2.234 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.936 2.649 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.003 4.086 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.166 5.093 -2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.877 5.504 -2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.438 4.247 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.728 2.890 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.547 2.046 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.347 1.740 -4.173 1.00 0.00 H new ATOM 159 N ASP A 10 -4.485 4.594 -3.191 1.00 0.00 N ATOM 160 CA ASP A 10 -5.497 5.657 -3.452 1.00 0.00 C ATOM 161 C ASP A 10 -4.882 6.889 -4.118 1.00 0.00 C ATOM 162 O ASP A 10 -3.738 6.903 -4.524 1.00 0.00 O ATOM 163 CB ASP A 10 -6.108 6.078 -2.121 1.00 0.00 C ATOM 164 CG ASP A 10 -7.380 5.272 -1.860 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.553 4.250 -2.502 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.163 5.690 -1.023 1.00 0.00 O ATOM 0 H ASP A 10 -4.497 4.218 -2.243 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.248 5.250 -4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.392 5.918 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.338 7.143 -2.136 1.00 0.00 H new ATOM 171 N ASP A 11 -5.670 7.928 -4.213 1.00 0.00 N ATOM 172 CA ASP A 11 -5.218 9.205 -4.831 1.00 0.00 C ATOM 173 C ASP A 11 -6.150 10.309 -4.328 1.00 0.00 C ATOM 174 O ASP A 11 -5.762 11.177 -3.572 1.00 0.00 O ATOM 175 CB ASP A 11 -5.318 9.095 -6.357 1.00 0.00 C ATOM 176 CG ASP A 11 -4.988 10.442 -7.005 1.00 0.00 C ATOM 177 OD1 ASP A 11 -5.028 11.443 -6.308 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.700 10.449 -8.190 1.00 0.00 O ATOM 0 H ASP A 11 -6.633 7.942 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.184 9.425 -4.565 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.631 8.330 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.323 8.782 -6.642 1.00 0.00 H new ATOM 183 N ASP A 12 -7.390 10.253 -4.729 1.00 0.00 N ATOM 184 CA ASP A 12 -8.386 11.258 -4.272 1.00 0.00 C ATOM 185 C ASP A 12 -9.339 10.574 -3.289 1.00 0.00 C ATOM 186 O ASP A 12 -9.266 9.382 -3.073 1.00 0.00 O ATOM 187 CB ASP A 12 -9.177 11.777 -5.476 1.00 0.00 C ATOM 188 CG ASP A 12 -8.916 13.273 -5.654 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.449 13.889 -4.710 1.00 0.00 O ATOM 190 OD2 ASP A 12 -9.188 13.778 -6.731 1.00 0.00 O ATOM 0 H ASP A 12 -7.758 9.543 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.884 12.096 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.885 11.237 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.242 11.598 -5.329 1.00 0.00 H new ATOM 195 N SER A 13 -10.230 11.312 -2.692 1.00 0.00 N ATOM 196 CA SER A 13 -11.180 10.686 -1.725 1.00 0.00 C ATOM 197 C SER A 13 -12.176 9.803 -2.488 1.00 0.00 C ATOM 198 O SER A 13 -12.677 10.180 -3.528 1.00 0.00 O ATOM 199 CB SER A 13 -11.936 11.781 -0.972 1.00 0.00 C ATOM 200 OG SER A 13 -12.322 11.291 0.305 1.00 0.00 O ATOM 0 H SER A 13 -10.344 12.316 -2.828 1.00 0.00 H new ATOM 0 HA SER A 13 -10.626 10.075 -1.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.306 12.663 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.816 12.087 -1.538 1.00 0.00 H new ATOM 0 HG SER A 13 -12.806 11.991 0.791 1.00 0.00 H new ATOM 206 N SER A 14 -12.462 8.631 -1.977 1.00 0.00 N ATOM 207 CA SER A 14 -13.422 7.720 -2.671 1.00 0.00 C ATOM 208 C SER A 14 -12.713 7.003 -3.825 1.00 0.00 C ATOM 209 O SER A 14 -13.309 6.706 -4.841 1.00 0.00 O ATOM 210 CB SER A 14 -14.600 8.532 -3.214 1.00 0.00 C ATOM 211 OG SER A 14 -14.371 8.841 -4.581 1.00 0.00 O ATOM 0 H SER A 14 -12.071 8.266 -1.108 1.00 0.00 H new ATOM 0 HA SER A 14 -13.791 6.979 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 14 -15.525 7.966 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.720 9.449 -2.638 1.00 0.00 H new ATOM 0 HG SER A 14 -13.805 9.638 -4.646 1.00 0.00 H new ATOM 217 N ILE A 15 -11.448 6.710 -3.674 1.00 0.00 N ATOM 218 CA ILE A 15 -10.718 5.999 -4.764 1.00 0.00 C ATOM 219 C ILE A 15 -11.026 4.505 -4.672 1.00 0.00 C ATOM 220 O ILE A 15 -11.164 3.829 -5.671 1.00 0.00 O ATOM 221 CB ILE A 15 -9.203 6.243 -4.629 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.840 7.531 -5.364 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.418 5.084 -5.254 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.262 7.413 -6.831 1.00 0.00 C ATOM 0 H ILE A 15 -10.892 6.931 -2.848 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.041 6.377 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.950 6.320 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.337 8.382 -4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.767 7.712 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.349 5.271 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.675 4.155 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.671 5.001 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.004 8.331 -7.359 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.744 6.572 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.338 7.252 -6.888 1.00 0.00 H new ATOM 236 N ARG A 16 -11.152 3.987 -3.484 1.00 0.00 N ATOM 237 CA ARG A 16 -11.470 2.543 -3.347 1.00 0.00 C ATOM 238 C ARG A 16 -12.801 2.305 -4.048 1.00 0.00 C ATOM 239 O ARG A 16 -12.976 1.364 -4.799 1.00 0.00 O ATOM 240 CB ARG A 16 -11.601 2.178 -1.867 1.00 0.00 C ATOM 241 CG ARG A 16 -10.217 2.137 -1.220 1.00 0.00 C ATOM 242 CD ARG A 16 -10.276 1.287 0.051 1.00 0.00 C ATOM 243 NE ARG A 16 -9.471 1.937 1.122 1.00 0.00 N ATOM 244 CZ ARG A 16 -9.749 1.713 2.377 1.00 0.00 C ATOM 245 NH1 ARG A 16 -10.389 0.630 2.722 1.00 0.00 N ATOM 246 NH2 ARG A 16 -9.385 2.572 3.289 1.00 0.00 N ATOM 0 H ARG A 16 -11.049 4.498 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.681 1.932 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.230 2.908 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.090 1.209 -1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.490 1.720 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.885 3.147 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.310 1.173 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.893 0.287 -0.150 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.701 2.558 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.673 -0.043 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.606 0.456 3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.883 3.419 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.602 2.397 4.270 1.00 0.00 H new ATOM 260 N TRP A 17 -13.735 3.182 -3.806 1.00 0.00 N ATOM 261 CA TRP A 17 -15.069 3.070 -4.442 1.00 0.00 C ATOM 262 C TRP A 17 -14.920 3.239 -5.953 1.00 0.00 C ATOM 263 O TRP A 17 -15.153 2.326 -6.716 1.00 0.00 O ATOM 264 CB TRP A 17 -15.975 4.179 -3.898 1.00 0.00 C ATOM 265 CG TRP A 17 -17.396 3.893 -4.269 1.00 0.00 C ATOM 266 CD1 TRP A 17 -18.038 2.725 -4.040 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.358 4.766 -4.931 1.00 0.00 C ATOM 268 NE1 TRP A 17 -19.334 2.826 -4.516 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.579 4.065 -5.075 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.291 6.087 -5.414 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.693 4.652 -5.677 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.410 6.679 -6.021 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.609 5.964 -6.151 1.00 0.00 C ATOM 0 H TRP A 17 -13.625 3.983 -3.184 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.504 2.095 -4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.877 4.243 -2.814 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.670 5.144 -4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.610 1.856 -3.564 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -20.024 2.077 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.373 6.648 -5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.614 4.096 -5.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.347 7.692 -6.390 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -21.467 6.427 -6.617 1.00 0.00 H new ATOM 284 N VAL A 18 -14.563 4.418 -6.386 1.00 0.00 N ATOM 285 CA VAL A 18 -14.426 4.681 -7.848 1.00 0.00 C ATOM 286 C VAL A 18 -13.816 3.467 -8.564 1.00 0.00 C ATOM 287 O VAL A 18 -14.461 2.805 -9.356 1.00 0.00 O ATOM 288 CB VAL A 18 -13.512 5.893 -8.034 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.083 5.999 -9.499 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.273 7.159 -7.637 1.00 0.00 C ATOM 0 H VAL A 18 -14.359 5.216 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.410 4.871 -8.276 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.627 5.780 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.432 6.864 -9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.546 5.095 -9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.965 6.113 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.627 8.027 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.156 7.266 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.579 7.087 -6.593 1.00 0.00 H new ATOM 300 N LEU A 19 -12.569 3.189 -8.300 1.00 0.00 N ATOM 301 CA LEU A 19 -11.892 2.040 -8.965 1.00 0.00 C ATOM 302 C LEU A 19 -12.715 0.762 -8.805 1.00 0.00 C ATOM 303 O LEU A 19 -13.308 0.279 -9.746 1.00 0.00 O ATOM 304 CB LEU A 19 -10.513 1.833 -8.338 1.00 0.00 C ATOM 305 CG LEU A 19 -9.435 2.004 -9.409 1.00 0.00 C ATOM 306 CD1 LEU A 19 -9.639 0.961 -10.509 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.537 3.406 -10.016 1.00 0.00 C ATOM 0 H LEU A 19 -11.986 3.713 -7.647 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.792 2.262 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.357 2.550 -7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.448 0.838 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.452 1.872 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.871 1.083 -11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.569 -0.039 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.623 1.095 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.769 3.529 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.521 3.537 -10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.394 4.152 -9.234 1.00 0.00 H new ATOM 319 N GLU A 20 -12.719 0.198 -7.625 1.00 0.00 N ATOM 320 CA GLU A 20 -13.470 -1.074 -7.384 1.00 0.00 C ATOM 321 C GLU A 20 -14.752 -1.115 -8.218 1.00 0.00 C ATOM 322 O GLU A 20 -15.199 -2.167 -8.629 1.00 0.00 O ATOM 323 CB GLU A 20 -13.833 -1.163 -5.900 1.00 0.00 C ATOM 324 CG GLU A 20 -14.749 -2.364 -5.666 1.00 0.00 C ATOM 325 CD GLU A 20 -14.402 -3.016 -4.327 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.616 -2.380 -3.307 1.00 0.00 O ATOM 327 OE2 GLU A 20 -13.929 -4.140 -4.343 1.00 0.00 O ATOM 0 H GLU A 20 -12.230 0.567 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.840 -1.915 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.929 -1.261 -5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.330 -0.247 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.792 -2.046 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.634 -3.086 -6.475 1.00 0.00 H new ATOM 334 N ARG A 21 -15.348 0.015 -8.479 1.00 0.00 N ATOM 335 CA ARG A 21 -16.592 0.022 -9.294 1.00 0.00 C ATOM 336 C ARG A 21 -16.243 -0.391 -10.721 1.00 0.00 C ATOM 337 O ARG A 21 -16.775 -1.347 -11.249 1.00 0.00 O ATOM 338 CB ARG A 21 -17.201 1.428 -9.301 1.00 0.00 C ATOM 339 CG ARG A 21 -18.388 1.476 -8.334 1.00 0.00 C ATOM 340 CD ARG A 21 -19.382 0.365 -8.683 1.00 0.00 C ATOM 341 NE ARG A 21 -19.466 0.224 -10.164 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.761 -0.932 -10.694 1.00 0.00 C ATOM 343 NH1 ARG A 21 -20.319 -1.861 -9.965 1.00 0.00 N ATOM 344 NH2 ARG A 21 -19.500 -1.157 -11.952 1.00 0.00 N ATOM 0 H ARG A 21 -15.028 0.931 -8.164 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.316 -0.674 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.450 2.162 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.528 1.689 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.039 1.356 -7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.878 2.448 -8.393 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.065 -0.576 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.364 0.599 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 21 -19.293 1.031 -10.764 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -20.524 -1.683 -8.982 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -20.550 -2.764 -10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.066 -0.430 -12.521 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.730 -2.060 -12.367 1.00 0.00 H new ATOM 358 N ALA A 22 -15.338 0.313 -11.344 1.00 0.00 N ATOM 359 CA ALA A 22 -14.939 -0.051 -12.731 1.00 0.00 C ATOM 360 C ALA A 22 -14.137 -1.354 -12.698 1.00 0.00 C ATOM 361 O ALA A 22 -13.790 -1.908 -13.721 1.00 0.00 O ATOM 362 CB ALA A 22 -14.075 1.065 -13.325 1.00 0.00 C ATOM 0 H ALA A 22 -14.859 1.124 -10.952 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.830 -0.183 -13.345 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.783 0.798 -14.341 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.644 1.995 -13.344 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.182 1.198 -12.714 1.00 0.00 H new ATOM 368 N LEU A 23 -13.835 -1.845 -11.524 1.00 0.00 N ATOM 369 CA LEU A 23 -13.052 -3.104 -11.417 1.00 0.00 C ATOM 370 C LEU A 23 -13.987 -4.263 -11.062 1.00 0.00 C ATOM 371 O LEU A 23 -13.602 -5.419 -11.086 1.00 0.00 O ATOM 372 CB LEU A 23 -11.986 -2.935 -10.334 1.00 0.00 C ATOM 373 CG LEU A 23 -10.617 -2.883 -11.007 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.358 -4.210 -11.716 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.600 -1.749 -12.034 1.00 0.00 C ATOM 0 H LEU A 23 -14.100 -1.424 -10.634 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.569 -3.324 -12.369 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.164 -2.022 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.029 -3.763 -9.627 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.845 -2.708 -10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.381 -4.180 -12.199 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.378 -5.021 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.130 -4.378 -12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.623 -1.709 -12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.369 -1.927 -12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.796 -0.801 -11.533 1.00 0.00 H new ATOM 387 N ALA A 24 -15.218 -3.964 -10.745 1.00 0.00 N ATOM 388 CA ALA A 24 -16.183 -5.044 -10.409 1.00 0.00 C ATOM 389 C ALA A 24 -16.700 -5.650 -11.710 1.00 0.00 C ATOM 390 O ALA A 24 -16.820 -6.851 -11.847 1.00 0.00 O ATOM 391 CB ALA A 24 -17.352 -4.463 -9.613 1.00 0.00 C ATOM 0 H ALA A 24 -15.595 -3.017 -10.705 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.693 -5.809 -9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.057 -5.258 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.978 -4.014 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.856 -3.702 -10.209 1.00 0.00 H new ATOM 397 N GLY A 25 -16.994 -4.821 -12.676 1.00 0.00 N ATOM 398 CA GLY A 25 -17.488 -5.344 -13.979 1.00 0.00 C ATOM 399 C GLY A 25 -16.398 -6.216 -14.598 1.00 0.00 C ATOM 400 O GLY A 25 -16.656 -7.295 -15.092 1.00 0.00 O ATOM 0 H GLY A 25 -16.913 -3.806 -12.618 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.399 -5.924 -13.833 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.738 -4.520 -14.647 1.00 0.00 H new ATOM 404 N ALA A 26 -15.174 -5.760 -14.562 1.00 0.00 N ATOM 405 CA ALA A 26 -14.066 -6.572 -15.135 1.00 0.00 C ATOM 406 C ALA A 26 -14.071 -7.944 -14.463 1.00 0.00 C ATOM 407 O ALA A 26 -13.870 -8.960 -15.100 1.00 0.00 O ATOM 408 CB ALA A 26 -12.727 -5.878 -14.871 1.00 0.00 C ATOM 0 H ALA A 26 -14.896 -4.864 -14.162 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.203 -6.681 -16.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.918 -6.475 -15.292 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.730 -4.892 -15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.578 -5.771 -13.796 1.00 0.00 H new ATOM 414 N GLY A 27 -14.315 -7.980 -13.180 1.00 0.00 N ATOM 415 CA GLY A 27 -14.350 -9.284 -12.463 1.00 0.00 C ATOM 416 C GLY A 27 -13.029 -9.520 -11.728 1.00 0.00 C ATOM 417 O GLY A 27 -12.431 -10.571 -11.841 1.00 0.00 O ATOM 0 H GLY A 27 -14.492 -7.161 -12.599 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.176 -9.294 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.529 -10.092 -13.172 1.00 0.00 H new ATOM 421 N LEU A 28 -12.564 -8.562 -10.970 1.00 0.00 N ATOM 422 CA LEU A 28 -11.281 -8.770 -10.236 1.00 0.00 C ATOM 423 C LEU A 28 -11.369 -8.152 -8.838 1.00 0.00 C ATOM 424 O LEU A 28 -12.330 -7.492 -8.494 1.00 0.00 O ATOM 425 CB LEU A 28 -10.132 -8.124 -11.011 1.00 0.00 C ATOM 426 CG LEU A 28 -9.833 -8.949 -12.267 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.389 -8.232 -13.498 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.321 -9.116 -12.422 1.00 0.00 C ATOM 0 H LEU A 28 -13.010 -7.656 -10.828 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.097 -9.840 -10.141 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.395 -7.103 -11.288 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.244 -8.065 -10.382 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.302 -9.928 -12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.175 -8.821 -14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.467 -8.112 -13.393 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.922 -7.252 -13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.110 -9.703 -13.316 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.854 -8.135 -12.513 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.920 -9.629 -11.548 1.00 0.00 H new ATOM 440 N THR A 29 -10.366 -8.370 -8.031 1.00 0.00 N ATOM 441 CA THR A 29 -10.369 -7.808 -6.648 1.00 0.00 C ATOM 442 C THR A 29 -9.527 -6.531 -6.623 1.00 0.00 C ATOM 443 O THR A 29 -8.335 -6.568 -6.392 1.00 0.00 O ATOM 444 CB THR A 29 -9.771 -8.839 -5.683 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.731 -9.855 -5.426 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.374 -8.165 -4.364 1.00 0.00 C ATOM 0 H THR A 29 -9.539 -8.917 -8.271 1.00 0.00 H new ATOM 0 HA THR A 29 -11.390 -7.576 -6.344 1.00 0.00 H new ATOM 0 HB THR A 29 -8.882 -9.277 -6.137 1.00 0.00 H new ATOM 0 HG1 THR A 29 -10.351 -10.516 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.951 -8.908 -3.688 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.633 -7.390 -4.560 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.255 -7.717 -3.905 1.00 0.00 H new ATOM 454 N CYS A 30 -10.134 -5.406 -6.870 1.00 0.00 N ATOM 455 CA CYS A 30 -9.371 -4.137 -6.873 1.00 0.00 C ATOM 456 C CYS A 30 -9.380 -3.510 -5.479 1.00 0.00 C ATOM 457 O CYS A 30 -10.251 -2.730 -5.144 1.00 0.00 O ATOM 458 CB CYS A 30 -10.031 -3.184 -7.859 1.00 0.00 C ATOM 459 SG CYS A 30 -8.949 -1.759 -8.141 1.00 0.00 S ATOM 0 H CYS A 30 -11.130 -5.314 -7.070 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.338 -4.331 -7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.227 -3.697 -8.801 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -10.994 -2.852 -7.471 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.737 -1.145 -7.015 1.00 0.00 H new ATOM 465 N THR A 31 -8.410 -3.827 -4.668 1.00 0.00 N ATOM 466 CA THR A 31 -8.356 -3.231 -3.305 1.00 0.00 C ATOM 467 C THR A 31 -7.492 -1.973 -3.365 1.00 0.00 C ATOM 468 O THR A 31 -6.554 -1.895 -4.129 1.00 0.00 O ATOM 469 CB THR A 31 -7.738 -4.230 -2.325 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.239 -5.531 -2.600 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.098 -3.835 -0.891 1.00 0.00 C ATOM 0 H THR A 31 -7.653 -4.473 -4.890 1.00 0.00 H new ATOM 0 HA THR A 31 -9.362 -2.983 -2.966 1.00 0.00 H new ATOM 0 HB THR A 31 -6.654 -4.225 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.550 -6.197 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.656 -4.548 -0.195 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.713 -2.837 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.182 -3.838 -0.774 1.00 0.00 H new ATOM 479 N THR A 32 -7.796 -0.986 -2.580 1.00 0.00 N ATOM 480 CA THR A 32 -6.981 0.256 -2.617 1.00 0.00 C ATOM 481 C THR A 32 -6.841 0.815 -1.203 1.00 0.00 C ATOM 482 O THR A 32 -7.796 0.881 -0.457 1.00 0.00 O ATOM 483 CB THR A 32 -7.666 1.284 -3.505 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.984 0.848 -3.792 1.00 0.00 O ATOM 485 CG2 THR A 32 -6.882 1.428 -4.806 1.00 0.00 C ATOM 0 H THR A 32 -8.570 -0.983 -1.916 1.00 0.00 H new ATOM 0 HA THR A 32 -5.992 0.031 -3.017 1.00 0.00 H new ATOM 0 HB THR A 32 -7.703 2.246 -2.995 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.142 0.899 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.370 2.164 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.866 1.756 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.849 0.467 -5.319 1.00 0.00 H new ATOM 493 N PHE A 33 -5.663 1.224 -0.825 1.00 0.00 N ATOM 494 CA PHE A 33 -5.486 1.783 0.543 1.00 0.00 C ATOM 495 C PHE A 33 -5.256 3.289 0.443 1.00 0.00 C ATOM 496 O PHE A 33 -4.384 3.748 -0.266 1.00 0.00 O ATOM 497 CB PHE A 33 -4.287 1.123 1.224 1.00 0.00 C ATOM 498 CG PHE A 33 -4.597 -0.329 1.499 1.00 0.00 C ATOM 499 CD1 PHE A 33 -4.591 -1.257 0.451 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.891 -0.749 2.803 1.00 0.00 C ATOM 501 CE1 PHE A 33 -4.878 -2.604 0.705 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.177 -2.096 3.057 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.169 -3.023 2.008 1.00 0.00 C ATOM 0 H PHE A 33 -4.821 1.196 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.381 1.587 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.405 1.203 0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.056 1.639 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.365 -0.934 -0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.897 -0.034 3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.875 -3.319 -0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.404 -2.420 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.388 -4.062 2.205 1.00 0.00 H new ATOM 513 N GLU A 34 -6.034 4.060 1.147 1.00 0.00 N ATOM 514 CA GLU A 34 -5.872 5.539 1.096 1.00 0.00 C ATOM 515 C GLU A 34 -4.383 5.906 1.124 1.00 0.00 C ATOM 516 O GLU A 34 -3.989 6.959 0.664 1.00 0.00 O ATOM 517 CB GLU A 34 -6.566 6.163 2.307 1.00 0.00 C ATOM 518 CG GLU A 34 -7.789 6.952 1.842 1.00 0.00 C ATOM 519 CD GLU A 34 -8.970 6.652 2.768 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.779 6.695 3.972 1.00 0.00 O ATOM 521 OE2 GLU A 34 -10.044 6.383 2.257 1.00 0.00 O ATOM 0 H GLU A 34 -6.779 3.728 1.759 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.317 5.916 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.867 5.385 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.876 6.820 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.570 8.020 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.040 6.684 0.816 1.00 0.00 H new ATOM 528 N ASN A 35 -3.552 5.057 1.673 1.00 0.00 N ATOM 529 CA ASN A 35 -2.098 5.381 1.738 1.00 0.00 C ATOM 530 C ASN A 35 -1.267 4.250 1.115 1.00 0.00 C ATOM 531 O ASN A 35 -1.401 3.095 1.472 1.00 0.00 O ATOM 532 CB ASN A 35 -1.695 5.562 3.203 1.00 0.00 C ATOM 533 CG ASN A 35 -0.214 5.927 3.283 1.00 0.00 C ATOM 534 OD1 ASN A 35 0.568 5.216 3.882 1.00 0.00 O ATOM 535 ND2 ASN A 35 0.207 7.016 2.701 1.00 0.00 N ATOM 0 H ASN A 35 -3.817 4.159 2.077 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.911 6.298 1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.299 6.344 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.885 4.644 3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 35 1.193 7.271 2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.450 7.612 2.198 1.00 0.00 H new ATOM 542 N GLY A 36 -0.396 4.580 0.194 1.00 0.00 N ATOM 543 CA GLY A 36 0.457 3.532 -0.443 1.00 0.00 C ATOM 544 C GLY A 36 1.213 2.782 0.644 1.00 0.00 C ATOM 545 O GLY A 36 1.205 1.567 0.691 1.00 0.00 O ATOM 0 H GLY A 36 -0.239 5.530 -0.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.161 2.841 -1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.157 3.990 -1.142 1.00 0.00 H new ATOM 549 N ASN A 37 1.858 3.493 1.531 1.00 0.00 N ATOM 550 CA ASN A 37 2.598 2.809 2.623 1.00 0.00 C ATOM 551 C ASN A 37 1.696 1.714 3.189 1.00 0.00 C ATOM 552 O ASN A 37 1.984 0.545 3.068 1.00 0.00 O ATOM 553 CB ASN A 37 2.939 3.817 3.725 1.00 0.00 C ATOM 554 CG ASN A 37 4.437 3.758 4.032 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.891 2.877 4.734 1.00 0.00 O ATOM 556 ND2 ASN A 37 5.229 4.667 3.530 1.00 0.00 N ATOM 0 H ASN A 37 1.902 4.512 1.544 1.00 0.00 H new ATOM 0 HA ASN A 37 3.525 2.379 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.662 4.823 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.365 3.595 4.624 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.229 4.637 3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.847 5.407 2.940 1.00 0.00 H new ATOM 563 N GLU A 38 0.604 2.100 3.803 1.00 0.00 N ATOM 564 CA GLU A 38 -0.348 1.106 4.385 1.00 0.00 C ATOM 565 C GLU A 38 -0.401 -0.156 3.519 1.00 0.00 C ATOM 566 O GLU A 38 -0.300 -1.259 4.015 1.00 0.00 O ATOM 567 CB GLU A 38 -1.745 1.729 4.437 1.00 0.00 C ATOM 568 CG GLU A 38 -2.298 1.613 5.858 1.00 0.00 C ATOM 569 CD GLU A 38 -3.520 2.521 6.007 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.486 2.301 5.296 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.466 3.422 6.828 1.00 0.00 O ATOM 0 H GLU A 38 0.330 3.075 3.926 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.011 0.836 5.386 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.700 2.776 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.407 1.224 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.572 0.579 6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.533 1.894 6.581 1.00 0.00 H new ATOM 578 N VAL A 39 -0.558 -0.006 2.229 1.00 0.00 N ATOM 579 CA VAL A 39 -0.614 -1.192 1.339 1.00 0.00 C ATOM 580 C VAL A 39 0.534 -2.137 1.683 1.00 0.00 C ATOM 581 O VAL A 39 0.333 -3.299 1.975 1.00 0.00 O ATOM 582 CB VAL A 39 -0.475 -0.721 -0.107 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.492 -1.925 -1.036 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.639 0.205 -0.460 1.00 0.00 C ATOM 0 H VAL A 39 -0.650 0.893 1.757 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.560 -1.717 1.470 1.00 0.00 H new ATOM 0 HB VAL A 39 0.466 -0.182 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.393 -1.589 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.338 -2.587 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.433 -2.462 -0.918 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.537 0.540 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.580 -0.333 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.631 1.069 0.204 1.00 0.00 H new ATOM 594 N LEU A 40 1.738 -1.645 1.653 1.00 0.00 N ATOM 595 CA LEU A 40 2.900 -2.507 1.985 1.00 0.00 C ATOM 596 C LEU A 40 2.810 -2.918 3.454 1.00 0.00 C ATOM 597 O LEU A 40 3.271 -3.973 3.841 1.00 0.00 O ATOM 598 CB LEU A 40 4.190 -1.725 1.726 1.00 0.00 C ATOM 599 CG LEU A 40 4.435 -1.617 0.218 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.217 -2.976 -0.452 1.00 0.00 C ATOM 601 CD2 LEU A 40 3.465 -0.595 -0.378 1.00 0.00 C ATOM 0 H LEU A 40 1.967 -0.681 1.412 1.00 0.00 H new ATOM 0 HA LEU A 40 2.899 -3.404 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.117 -0.730 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.032 -2.224 2.206 1.00 0.00 H new ATOM 0 HG LEU A 40 5.463 -1.298 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.394 -2.886 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.909 -3.705 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.193 -3.306 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.636 -0.515 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.440 -0.918 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.628 0.376 0.089 1.00 0.00 H new ATOM 613 N ALA A 41 2.188 -2.114 4.271 1.00 0.00 N ATOM 614 CA ALA A 41 2.037 -2.489 5.700 1.00 0.00 C ATOM 615 C ALA A 41 1.206 -3.766 5.741 1.00 0.00 C ATOM 616 O ALA A 41 1.346 -4.594 6.618 1.00 0.00 O ATOM 617 CB ALA A 41 1.316 -1.371 6.455 1.00 0.00 C ATOM 0 H ALA A 41 1.780 -1.217 4.010 1.00 0.00 H new ATOM 0 HA ALA A 41 3.009 -2.644 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.208 -1.651 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.896 -0.451 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.330 -1.214 6.018 1.00 0.00 H new ATOM 623 N ALA A 42 0.353 -3.930 4.764 1.00 0.00 N ATOM 624 CA ALA A 42 -0.489 -5.151 4.691 1.00 0.00 C ATOM 625 C ALA A 42 0.339 -6.269 4.060 1.00 0.00 C ATOM 626 O ALA A 42 0.223 -7.421 4.423 1.00 0.00 O ATOM 627 CB ALA A 42 -1.721 -4.870 3.828 1.00 0.00 C ATOM 0 H ALA A 42 0.205 -3.261 4.008 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.816 -5.446 5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.339 -5.766 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.297 -4.057 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.405 -4.586 2.824 1.00 0.00 H new ATOM 633 N LEU A 43 1.189 -5.935 3.122 1.00 0.00 N ATOM 634 CA LEU A 43 2.031 -6.983 2.487 1.00 0.00 C ATOM 635 C LEU A 43 2.660 -7.823 3.592 1.00 0.00 C ATOM 636 O LEU A 43 2.993 -8.973 3.393 1.00 0.00 O ATOM 637 CB LEU A 43 3.131 -6.321 1.642 1.00 0.00 C ATOM 638 CG LEU A 43 4.183 -7.354 1.206 1.00 0.00 C ATOM 639 CD1 LEU A 43 5.147 -7.635 2.360 1.00 0.00 C ATOM 640 CD2 LEU A 43 3.502 -8.660 0.779 1.00 0.00 C ATOM 0 H LEU A 43 1.333 -4.987 2.773 1.00 0.00 H new ATOM 0 HA LEU A 43 1.424 -7.614 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.688 -5.853 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.610 -5.529 2.217 1.00 0.00 H new ATOM 0 HG LEU A 43 4.738 -6.949 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.889 -8.368 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.649 -6.711 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.591 -8.027 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.259 -9.382 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.933 -9.064 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.829 -8.464 -0.056 1.00 0.00 H new ATOM 652 N ALA A 44 2.821 -7.247 4.762 1.00 0.00 N ATOM 653 CA ALA A 44 3.425 -8.002 5.905 1.00 0.00 C ATOM 654 C ALA A 44 2.978 -9.457 5.835 1.00 0.00 C ATOM 655 O ALA A 44 3.776 -10.372 5.895 1.00 0.00 O ATOM 656 CB ALA A 44 2.963 -7.391 7.230 1.00 0.00 C ATOM 0 H ALA A 44 2.559 -6.284 4.973 1.00 0.00 H new ATOM 0 HA ALA A 44 4.512 -7.946 5.844 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.405 -7.944 8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.278 -6.349 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.876 -7.445 7.296 1.00 0.00 H new ATOM 662 N SER A 45 1.704 -9.673 5.675 1.00 0.00 N ATOM 663 CA SER A 45 1.195 -11.062 5.560 1.00 0.00 C ATOM 664 C SER A 45 1.474 -11.550 4.137 1.00 0.00 C ATOM 665 O SER A 45 2.066 -12.591 3.932 1.00 0.00 O ATOM 666 CB SER A 45 -0.311 -11.082 5.831 1.00 0.00 C ATOM 667 OG SER A 45 -0.660 -12.305 6.466 1.00 0.00 O ATOM 0 H SER A 45 0.993 -8.944 5.619 1.00 0.00 H new ATOM 0 HA SER A 45 1.687 -11.710 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.589 -10.239 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.861 -10.975 4.896 1.00 0.00 H new ATOM 0 HG SER A 45 -1.624 -12.319 6.642 1.00 0.00 H new ATOM 673 N LYS A 46 1.069 -10.784 3.155 1.00 0.00 N ATOM 674 CA LYS A 46 1.320 -11.173 1.735 1.00 0.00 C ATOM 675 C LYS A 46 0.376 -10.408 0.806 1.00 0.00 C ATOM 676 O LYS A 46 -0.807 -10.295 1.062 1.00 0.00 O ATOM 677 CB LYS A 46 1.076 -12.671 1.554 1.00 0.00 C ATOM 678 CG LYS A 46 2.387 -13.344 1.148 1.00 0.00 C ATOM 679 CD LYS A 46 2.238 -13.955 -0.246 1.00 0.00 C ATOM 680 CE LYS A 46 3.556 -14.611 -0.656 1.00 0.00 C ATOM 681 NZ LYS A 46 3.272 -15.840 -1.450 1.00 0.00 N ATOM 0 H LYS A 46 0.573 -9.901 3.278 1.00 0.00 H new ATOM 0 HA LYS A 46 2.354 -10.933 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.701 -13.106 2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.315 -12.839 0.792 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.198 -12.616 1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.649 -14.118 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.436 -14.693 -0.248 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.963 -13.184 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.154 -13.915 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.140 -14.864 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.168 -16.287 -1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.718 -16.505 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.731 -15.586 -2.301 1.00 0.00 H new ATOM 695 N THR A 47 0.884 -9.899 -0.284 1.00 0.00 N ATOM 696 CA THR A 47 0.008 -9.166 -1.239 1.00 0.00 C ATOM 697 C THR A 47 -0.761 -10.194 -2.076 1.00 0.00 C ATOM 698 O THR A 47 -0.944 -11.317 -1.646 1.00 0.00 O ATOM 699 CB THR A 47 0.860 -8.287 -2.157 1.00 0.00 C ATOM 700 OG1 THR A 47 2.235 -8.505 -1.879 1.00 0.00 O ATOM 701 CG2 THR A 47 0.515 -6.817 -1.915 1.00 0.00 C ATOM 0 H THR A 47 1.866 -9.960 -0.553 1.00 0.00 H new ATOM 0 HA THR A 47 -0.688 -8.529 -0.693 1.00 0.00 H new ATOM 0 HB THR A 47 0.657 -8.541 -3.197 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.649 -7.663 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.121 -6.189 -2.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.541 -6.651 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.719 -6.562 -0.875 1.00 0.00 H new ATOM 709 N PRO A 48 -1.187 -9.792 -3.248 1.00 0.00 N ATOM 710 CA PRO A 48 -1.924 -10.773 -4.072 1.00 0.00 C ATOM 711 C PRO A 48 -1.359 -10.848 -5.494 1.00 0.00 C ATOM 712 O PRO A 48 -0.543 -11.696 -5.796 1.00 0.00 O ATOM 713 CB PRO A 48 -3.351 -10.253 -4.108 1.00 0.00 C ATOM 714 CG PRO A 48 -3.267 -8.747 -3.828 1.00 0.00 C ATOM 715 CD PRO A 48 -1.931 -8.513 -3.117 1.00 0.00 C ATOM 0 HA PRO A 48 -1.849 -11.778 -3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.810 -10.443 -5.078 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.966 -10.754 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.319 -8.176 -4.755 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.100 -8.421 -3.206 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.381 -7.690 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.083 -8.252 -2.070 1.00 0.00 H new ATOM 723 N ASP A 49 -1.806 -9.994 -6.387 1.00 0.00 N ATOM 724 CA ASP A 49 -1.297 -10.077 -7.785 1.00 0.00 C ATOM 725 C ASP A 49 -0.509 -8.823 -8.169 1.00 0.00 C ATOM 726 O ASP A 49 0.699 -8.859 -8.298 1.00 0.00 O ATOM 727 CB ASP A 49 -2.481 -10.236 -8.737 1.00 0.00 C ATOM 728 CG ASP A 49 -3.052 -11.648 -8.606 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.549 -12.394 -7.782 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.982 -11.959 -9.330 1.00 0.00 O ATOM 0 H ASP A 49 -2.489 -9.258 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.628 -10.935 -7.856 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.249 -9.498 -8.506 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.163 -10.054 -9.764 1.00 0.00 H new ATOM 735 N VAL A 50 -1.176 -7.725 -8.396 1.00 0.00 N ATOM 736 CA VAL A 50 -0.439 -6.496 -8.820 1.00 0.00 C ATOM 737 C VAL A 50 -0.628 -5.361 -7.820 1.00 0.00 C ATOM 738 O VAL A 50 -1.733 -4.941 -7.541 1.00 0.00 O ATOM 739 CB VAL A 50 -0.953 -6.005 -10.181 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.187 -6.021 -11.194 1.00 0.00 C ATOM 741 CG2 VAL A 50 -2.105 -6.886 -10.682 1.00 0.00 C ATOM 0 H VAL A 50 -2.187 -7.623 -8.308 1.00 0.00 H new ATOM 0 HA VAL A 50 0.616 -6.764 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.326 -4.988 -10.064 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.179 -5.672 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.988 -5.365 -10.851 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.569 -7.037 -11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.451 -6.518 -11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.757 -7.913 -10.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.926 -6.854 -9.966 1.00 0.00 H new ATOM 751 N LEU A 51 0.447 -4.832 -7.310 1.00 0.00 N ATOM 752 CA LEU A 51 0.331 -3.693 -6.363 1.00 0.00 C ATOM 753 C LEU A 51 0.594 -2.402 -7.145 1.00 0.00 C ATOM 754 O LEU A 51 1.702 -2.139 -7.576 1.00 0.00 O ATOM 755 CB LEU A 51 1.357 -3.841 -5.239 1.00 0.00 C ATOM 756 CG LEU A 51 0.844 -3.119 -3.992 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.266 -3.947 -3.338 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.994 -2.934 -3.001 1.00 0.00 C ATOM 0 H LEU A 51 1.399 -5.139 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.663 -3.671 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.525 -4.896 -5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.315 -3.423 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 51 0.448 -2.144 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.630 -3.431 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.086 -4.077 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.127 -4.923 -3.054 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.629 -2.419 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.391 -3.909 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.782 -2.342 -3.465 1.00 0.00 H new ATOM 770 N LEU A 52 -0.413 -1.602 -7.352 1.00 0.00 N ATOM 771 CA LEU A 52 -0.205 -0.347 -8.125 1.00 0.00 C ATOM 772 C LEU A 52 -0.156 0.844 -7.174 1.00 0.00 C ATOM 773 O LEU A 52 -0.610 0.776 -6.050 1.00 0.00 O ATOM 774 CB LEU A 52 -1.358 -0.145 -9.110 1.00 0.00 C ATOM 775 CG LEU A 52 -1.425 -1.320 -10.089 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.891 -2.577 -9.353 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.419 -0.988 -11.209 1.00 0.00 C ATOM 0 H LEU A 52 -1.365 -1.761 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 52 0.736 -0.423 -8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.299 -0.059 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.220 0.787 -9.658 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.437 -1.496 -10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.938 -3.412 -10.052 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.188 -2.812 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.880 -2.404 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.470 -1.822 -11.909 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.406 -0.813 -10.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.088 -0.092 -11.735 1.00 0.00 H new ATOM 789 N SER A 53 0.390 1.939 -7.622 1.00 0.00 N ATOM 790 CA SER A 53 0.465 3.140 -6.750 1.00 0.00 C ATOM 791 C SER A 53 0.048 4.375 -7.552 1.00 0.00 C ATOM 792 O SER A 53 0.729 4.784 -8.472 1.00 0.00 O ATOM 793 CB SER A 53 1.900 3.314 -6.255 1.00 0.00 C ATOM 794 OG SER A 53 1.899 3.411 -4.838 1.00 0.00 O ATOM 0 H SER A 53 0.787 2.053 -8.555 1.00 0.00 H new ATOM 0 HA SER A 53 -0.203 3.018 -5.897 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.511 2.469 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.342 4.210 -6.692 1.00 0.00 H new ATOM 0 HG SER A 53 2.353 2.631 -4.456 1.00 0.00 H new ATOM 800 N ASP A 54 -1.066 4.976 -7.217 1.00 0.00 N ATOM 801 CA ASP A 54 -1.508 6.181 -7.973 1.00 0.00 C ATOM 802 C ASP A 54 -0.449 7.284 -7.833 1.00 0.00 C ATOM 803 O ASP A 54 0.735 7.013 -7.798 1.00 0.00 O ATOM 804 CB ASP A 54 -2.845 6.677 -7.418 1.00 0.00 C ATOM 805 CG ASP A 54 -3.665 7.293 -8.552 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.063 7.803 -9.482 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.882 7.243 -8.472 1.00 0.00 O ATOM 0 H ASP A 54 -1.683 4.685 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.631 5.925 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.393 5.851 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.675 7.415 -6.634 1.00 0.00 H new ATOM 812 N ILE A 55 -0.858 8.524 -7.751 1.00 0.00 N ATOM 813 CA ILE A 55 0.144 9.623 -7.613 1.00 0.00 C ATOM 814 C ILE A 55 -0.566 10.956 -7.345 1.00 0.00 C ATOM 815 O ILE A 55 -0.803 11.731 -8.248 1.00 0.00 O ATOM 816 CB ILE A 55 0.953 9.737 -8.906 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.048 10.794 -8.728 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.028 10.148 -10.055 1.00 0.00 C ATOM 819 CD1 ILE A 55 3.376 10.105 -8.409 1.00 0.00 C ATOM 0 H ILE A 55 -1.833 8.821 -7.773 1.00 0.00 H new ATOM 0 HA ILE A 55 0.806 9.396 -6.778 1.00 0.00 H new ATOM 0 HB ILE A 55 1.409 8.774 -9.136 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.144 11.390 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.779 11.479 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.606 10.229 -10.976 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.752 9.397 -10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.429 11.111 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.155 10.857 -8.282 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.275 9.529 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.646 9.438 -9.228 1.00 0.00 H new ATOM 831 N ARG A 56 -0.895 11.237 -6.111 1.00 0.00 N ATOM 832 CA ARG A 56 -1.578 12.530 -5.804 1.00 0.00 C ATOM 833 C ARG A 56 -2.215 12.463 -4.412 1.00 0.00 C ATOM 834 O ARG A 56 -2.936 11.540 -4.089 1.00 0.00 O ATOM 835 CB ARG A 56 -2.659 12.799 -6.861 1.00 0.00 C ATOM 836 CG ARG A 56 -3.698 13.794 -6.326 1.00 0.00 C ATOM 837 CD ARG A 56 -2.990 15.024 -5.753 1.00 0.00 C ATOM 838 NE ARG A 56 -3.227 16.194 -6.645 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.497 17.362 -6.131 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.372 17.464 -5.168 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.895 18.429 -6.580 1.00 0.00 N ATOM 0 H ARG A 56 -0.722 10.633 -5.308 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.848 13.339 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.200 13.195 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.149 11.865 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.375 14.093 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.305 13.320 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.361 15.236 -4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.921 14.832 -5.663 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.178 16.081 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.844 16.631 -4.818 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.583 18.377 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.212 18.350 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.107 19.342 -6.177 1.00 0.00 H new ATOM 855 N MET A 57 -1.958 13.447 -3.591 1.00 0.00 N ATOM 856 CA MET A 57 -2.552 13.459 -2.224 1.00 0.00 C ATOM 857 C MET A 57 -1.850 14.519 -1.373 1.00 0.00 C ATOM 858 O MET A 57 -2.461 15.468 -0.922 1.00 0.00 O ATOM 859 CB MET A 57 -2.389 12.082 -1.578 1.00 0.00 C ATOM 860 CG MET A 57 -3.767 11.509 -1.241 1.00 0.00 C ATOM 861 SD MET A 57 -3.810 9.748 -1.660 1.00 0.00 S ATOM 862 CE MET A 57 -2.291 9.270 -0.798 1.00 0.00 C ATOM 0 H MET A 57 -1.361 14.244 -3.810 1.00 0.00 H new ATOM 0 HA MET A 57 -3.614 13.696 -2.292 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.860 11.411 -2.255 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.786 12.162 -0.674 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.980 11.646 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.540 12.044 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.337 8.212 -0.539 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.433 9.447 -1.447 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.187 9.862 0.111 1.00 0.00 H new ATOM 872 N PRO A 58 -0.580 14.316 -1.197 1.00 0.00 N ATOM 873 CA PRO A 58 0.230 15.264 -0.405 1.00 0.00 C ATOM 874 C PRO A 58 0.391 16.585 -1.163 1.00 0.00 C ATOM 875 O PRO A 58 0.536 16.605 -2.370 1.00 0.00 O ATOM 876 CB PRO A 58 1.580 14.563 -0.253 1.00 0.00 C ATOM 877 CG PRO A 58 1.672 13.553 -1.414 1.00 0.00 C ATOM 878 CD PRO A 58 0.231 13.300 -1.888 1.00 0.00 C ATOM 0 HA PRO A 58 -0.223 15.509 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.399 15.281 -0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.650 14.057 0.710 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.283 13.949 -2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.141 12.625 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.148 13.398 -2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.097 12.292 -1.633 1.00 0.00 H new ATOM 886 N GLY A 59 0.370 17.688 -0.468 1.00 0.00 N ATOM 887 CA GLY A 59 0.524 19.003 -1.152 1.00 0.00 C ATOM 888 C GLY A 59 1.917 19.092 -1.784 1.00 0.00 C ATOM 889 O GLY A 59 2.144 19.861 -2.698 1.00 0.00 O ATOM 0 H GLY A 59 0.253 17.736 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.242 19.118 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.385 19.815 -0.438 1.00 0.00 H new ATOM 893 N MET A 60 2.848 18.311 -1.309 1.00 0.00 N ATOM 894 CA MET A 60 4.222 18.352 -1.888 1.00 0.00 C ATOM 895 C MET A 60 4.351 17.278 -2.969 1.00 0.00 C ATOM 896 O MET A 60 4.283 16.097 -2.695 1.00 0.00 O ATOM 897 CB MET A 60 5.254 18.089 -0.788 1.00 0.00 C ATOM 898 CG MET A 60 6.660 18.123 -1.391 1.00 0.00 C ATOM 899 SD MET A 60 7.862 17.567 -0.156 1.00 0.00 S ATOM 900 CE MET A 60 8.047 15.871 -0.760 1.00 0.00 C ATOM 0 H MET A 60 2.718 17.647 -0.546 1.00 0.00 H new ATOM 0 HA MET A 60 4.400 19.335 -2.324 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.165 18.840 -0.003 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.069 17.120 -0.324 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.705 17.482 -2.272 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.902 19.134 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.758 15.336 -0.131 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.082 15.366 -0.727 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.413 15.888 -1.787 1.00 0.00 H new ATOM 910 N ASP A 61 4.536 17.678 -4.197 1.00 0.00 N ATOM 911 CA ASP A 61 4.669 16.677 -5.294 1.00 0.00 C ATOM 912 C ASP A 61 3.602 15.593 -5.130 1.00 0.00 C ATOM 913 O ASP A 61 2.604 15.787 -4.466 1.00 0.00 O ATOM 914 CB ASP A 61 6.058 16.039 -5.233 1.00 0.00 C ATOM 915 CG ASP A 61 7.091 17.101 -4.849 1.00 0.00 C ATOM 916 OD1 ASP A 61 6.785 18.273 -4.989 1.00 0.00 O ATOM 917 OD2 ASP A 61 8.168 16.722 -4.421 1.00 0.00 O ATOM 0 H ASP A 61 4.601 18.653 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 61 4.537 17.172 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.066 15.228 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.312 15.602 -6.199 1.00 0.00 H new ATOM 922 N GLY A 62 3.807 14.453 -5.730 1.00 0.00 N ATOM 923 CA GLY A 62 2.803 13.358 -5.608 1.00 0.00 C ATOM 924 C GLY A 62 3.287 12.331 -4.584 1.00 0.00 C ATOM 925 O GLY A 62 3.319 12.591 -3.397 1.00 0.00 O ATOM 0 H GLY A 62 4.625 14.232 -6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.840 13.766 -5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.653 12.879 -6.576 1.00 0.00 H new ATOM 929 N LEU A 63 3.660 11.163 -5.030 1.00 0.00 N ATOM 930 CA LEU A 63 4.137 10.122 -4.078 1.00 0.00 C ATOM 931 C LEU A 63 4.612 8.893 -4.855 1.00 0.00 C ATOM 932 O LEU A 63 3.820 8.129 -5.372 1.00 0.00 O ATOM 933 CB LEU A 63 2.991 9.722 -3.147 1.00 0.00 C ATOM 934 CG LEU A 63 1.674 9.729 -3.928 1.00 0.00 C ATOM 935 CD1 LEU A 63 0.790 8.575 -3.452 1.00 0.00 C ATOM 936 CD2 LEU A 63 0.951 11.057 -3.689 1.00 0.00 C ATOM 0 H LEU A 63 3.655 10.885 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 63 4.964 10.521 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.175 8.731 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.932 10.414 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 63 1.881 9.611 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.147 8.581 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.305 7.629 -3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.581 8.691 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.013 11.065 -4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.745 11.173 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.580 11.880 -4.028 1.00 0.00 H new ATOM 948 N ALA A 64 5.899 8.691 -4.937 1.00 0.00 N ATOM 949 CA ALA A 64 6.422 7.508 -5.676 1.00 0.00 C ATOM 950 C ALA A 64 5.835 6.233 -5.068 1.00 0.00 C ATOM 951 O ALA A 64 4.899 5.664 -5.586 1.00 0.00 O ATOM 952 CB ALA A 64 7.947 7.473 -5.564 1.00 0.00 C ATOM 0 H ALA A 64 6.610 9.294 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 64 6.137 7.576 -6.726 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.332 6.608 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.364 8.384 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.233 7.402 -4.515 1.00 0.00 H new ATOM 958 N LEU A 65 6.386 5.788 -3.967 1.00 0.00 N ATOM 959 CA LEU A 65 5.878 4.551 -3.298 1.00 0.00 C ATOM 960 C LEU A 65 6.449 3.302 -3.978 1.00 0.00 C ATOM 961 O LEU A 65 6.517 2.248 -3.384 1.00 0.00 O ATOM 962 CB LEU A 65 4.348 4.511 -3.348 1.00 0.00 C ATOM 963 CG LEU A 65 3.792 5.861 -2.892 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.267 5.788 -2.805 1.00 0.00 C ATOM 965 CD2 LEU A 65 4.368 6.201 -1.516 1.00 0.00 C ATOM 0 H LEU A 65 7.175 6.234 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 65 6.201 4.567 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.011 4.289 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.972 3.714 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 65 4.072 6.633 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.875 6.752 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.858 5.542 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.980 5.019 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.976 7.163 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.085 5.428 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.455 6.255 -1.580 1.00 0.00 H new ATOM 977 N LEU A 66 6.868 3.400 -5.209 1.00 0.00 N ATOM 978 CA LEU A 66 7.434 2.199 -5.885 1.00 0.00 C ATOM 979 C LEU A 66 8.653 1.723 -5.097 1.00 0.00 C ATOM 980 O LEU A 66 8.829 0.543 -4.863 1.00 0.00 O ATOM 981 CB LEU A 66 7.844 2.555 -7.316 1.00 0.00 C ATOM 982 CG LEU A 66 7.084 1.671 -8.312 1.00 0.00 C ATOM 983 CD1 LEU A 66 7.380 0.197 -8.026 1.00 0.00 C ATOM 984 CD2 LEU A 66 5.579 1.921 -8.180 1.00 0.00 C ATOM 0 H LEU A 66 6.844 4.250 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 66 6.686 1.407 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.632 3.606 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.918 2.418 -7.441 1.00 0.00 H new ATOM 0 HG LEU A 66 7.406 1.916 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.838 -0.427 -8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.450 0.015 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.063 -0.048 -7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.042 1.291 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.258 1.681 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.364 2.969 -8.390 1.00 0.00 H new ATOM 996 N LYS A 67 9.490 2.629 -4.666 1.00 0.00 N ATOM 997 CA LYS A 67 10.679 2.215 -3.875 1.00 0.00 C ATOM 998 C LYS A 67 10.187 1.577 -2.576 1.00 0.00 C ATOM 999 O LYS A 67 10.802 0.675 -2.039 1.00 0.00 O ATOM 1000 CB LYS A 67 11.541 3.439 -3.559 1.00 0.00 C ATOM 1001 CG LYS A 67 13.019 3.034 -3.534 1.00 0.00 C ATOM 1002 CD LYS A 67 13.819 4.063 -2.732 1.00 0.00 C ATOM 1003 CE LYS A 67 14.651 3.347 -1.664 1.00 0.00 C ATOM 1004 NZ LYS A 67 16.009 3.055 -2.202 1.00 0.00 N ATOM 0 H LYS A 67 9.400 3.632 -4.828 1.00 0.00 H new ATOM 0 HA LYS A 67 11.280 1.503 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.378 4.214 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.253 3.861 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.128 2.045 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.406 2.969 -4.551 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.471 4.630 -3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.144 4.778 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.728 3.968 -0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.160 2.421 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.573 2.569 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.926 2.446 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.477 3.946 -2.465 1.00 0.00 H new ATOM 1018 N GLN A 68 9.066 2.029 -2.078 1.00 0.00 N ATOM 1019 CA GLN A 68 8.516 1.443 -0.827 1.00 0.00 C ATOM 1020 C GLN A 68 8.251 -0.045 -1.064 1.00 0.00 C ATOM 1021 O GLN A 68 8.833 -0.892 -0.416 1.00 0.00 O ATOM 1022 CB GLN A 68 7.211 2.162 -0.449 1.00 0.00 C ATOM 1023 CG GLN A 68 6.409 1.311 0.535 1.00 0.00 C ATOM 1024 CD GLN A 68 7.316 0.867 1.682 1.00 0.00 C ATOM 1025 OE1 GLN A 68 7.311 -0.383 2.052 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 8.036 1.665 2.247 1.00 0.00 N flip ATOM 0 H GLN A 68 8.509 2.780 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 68 9.227 1.564 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.436 3.131 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.619 2.352 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.566 1.883 0.924 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.996 0.440 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.040 2.643 1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.637 1.357 3.011 1.00 0.00 H new ATOM 1035 N ILE A 69 7.368 -0.363 -1.982 1.00 0.00 N ATOM 1036 CA ILE A 69 7.048 -1.796 -2.265 1.00 0.00 C ATOM 1037 C ILE A 69 8.309 -2.648 -2.129 1.00 0.00 C ATOM 1038 O ILE A 69 8.493 -3.329 -1.144 1.00 0.00 O ATOM 1039 CB ILE A 69 6.505 -1.902 -3.695 1.00 0.00 C ATOM 1040 CG1 ILE A 69 5.091 -1.320 -3.740 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.457 -3.367 -4.144 1.00 0.00 C ATOM 1042 CD1 ILE A 69 5.116 0.012 -4.485 1.00 0.00 C ATOM 0 H ILE A 69 6.854 0.312 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 69 6.304 -2.156 -1.554 1.00 0.00 H new ATOM 0 HB ILE A 69 7.164 -1.348 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.415 -2.015 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.712 -1.177 -2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.069 -3.423 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.461 -3.790 -4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.806 -3.931 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.109 0.429 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.779 0.706 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.477 -0.146 -5.501 1.00 0.00 H new ATOM 1054 N LYS A 70 9.171 -2.610 -3.118 1.00 0.00 N ATOM 1055 CA LYS A 70 10.430 -3.416 -3.067 1.00 0.00 C ATOM 1056 C LYS A 70 10.934 -3.503 -1.627 1.00 0.00 C ATOM 1057 O LYS A 70 10.989 -4.570 -1.048 1.00 0.00 O ATOM 1058 CB LYS A 70 11.495 -2.750 -3.941 1.00 0.00 C ATOM 1059 CG LYS A 70 11.494 -3.393 -5.330 1.00 0.00 C ATOM 1060 CD LYS A 70 10.309 -2.862 -6.138 1.00 0.00 C ATOM 1061 CE LYS A 70 9.250 -3.956 -6.269 1.00 0.00 C ATOM 1062 NZ LYS A 70 9.774 -5.051 -7.132 1.00 0.00 N ATOM 0 H LYS A 70 9.054 -2.051 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 70 10.228 -4.421 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.296 -1.681 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.477 -2.857 -3.480 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.428 -3.171 -5.846 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.430 -4.477 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.884 -1.986 -5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.642 -2.544 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.991 -4.346 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.337 -3.544 -6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.980 -5.539 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.403 -4.651 -7.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.305 -5.729 -6.549 1.00 0.00 H new ATOM 1076 N GLN A 71 11.314 -2.389 -1.055 1.00 0.00 N ATOM 1077 CA GLN A 71 11.827 -2.389 0.348 1.00 0.00 C ATOM 1078 C GLN A 71 11.083 -3.437 1.184 1.00 0.00 C ATOM 1079 O GLN A 71 11.686 -4.258 1.847 1.00 0.00 O ATOM 1080 CB GLN A 71 11.599 -1.006 0.961 1.00 0.00 C ATOM 1081 CG GLN A 71 12.902 -0.204 0.910 1.00 0.00 C ATOM 1082 CD GLN A 71 13.695 -0.433 2.199 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.122 -0.682 3.242 1.00 0.00 O ATOM 1084 NE2 GLN A 71 14.998 -0.357 2.174 1.00 0.00 N ATOM 0 H GLN A 71 11.291 -1.473 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 71 12.890 -2.629 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.814 -0.480 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.260 -1.105 1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.495 -0.508 0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.684 0.857 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.480 -0.148 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 71 15.534 -0.506 3.029 1.00 0.00 H new ATOM 1093 N ARG A 72 9.775 -3.407 1.169 1.00 0.00 N ATOM 1094 CA ARG A 72 8.999 -4.395 1.973 1.00 0.00 C ATOM 1095 C ARG A 72 8.050 -5.207 1.077 1.00 0.00 C ATOM 1096 O ARG A 72 6.865 -5.289 1.334 1.00 0.00 O ATOM 1097 CB ARG A 72 8.179 -3.650 3.030 1.00 0.00 C ATOM 1098 CG ARG A 72 8.760 -3.931 4.417 1.00 0.00 C ATOM 1099 CD ARG A 72 9.642 -2.759 4.849 1.00 0.00 C ATOM 1100 NE ARG A 72 9.189 -2.263 6.179 1.00 0.00 N ATOM 1101 CZ ARG A 72 9.857 -2.577 7.254 1.00 0.00 C ATOM 1102 NH1 ARG A 72 10.273 -3.801 7.431 1.00 0.00 N ATOM 1103 NH2 ARG A 72 10.111 -1.664 8.151 1.00 0.00 N ATOM 0 H ARG A 72 9.213 -2.743 0.636 1.00 0.00 H new ATOM 0 HA ARG A 72 9.699 -5.081 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.193 -2.579 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.137 -3.969 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.955 -4.078 5.137 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.344 -4.851 4.399 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.684 -3.074 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.588 -1.958 4.112 1.00 0.00 H new ATOM 0 HE ARG A 72 8.356 -1.678 6.249 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.076 -4.513 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.795 -4.045 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.787 -0.707 8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.633 -1.907 8.993 1.00 0.00 H new ATOM 1117 N HIS A 73 8.558 -5.823 0.040 1.00 0.00 N ATOM 1118 CA HIS A 73 7.676 -6.645 -0.847 1.00 0.00 C ATOM 1119 C HIS A 73 8.313 -8.019 -1.065 1.00 0.00 C ATOM 1120 O HIS A 73 9.487 -8.211 -0.811 1.00 0.00 O ATOM 1121 CB HIS A 73 7.500 -5.958 -2.204 1.00 0.00 C ATOM 1122 CG HIS A 73 6.033 -5.821 -2.519 1.00 0.00 C ATOM 1123 ND1 HIS A 73 4.935 -5.575 -1.726 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 5.544 -5.931 -3.812 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 3.790 -5.533 -2.513 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 4.212 -5.752 -3.760 1.00 0.00 N flip ATOM 0 H HIS A 73 9.541 -5.794 -0.231 1.00 0.00 H new ATOM 0 HA HIS A 73 6.702 -6.754 -0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.972 -4.975 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.996 -6.537 -2.983 1.00 0.00 H new ATOM 0 HD1 HIS A 73 4.958 -5.444 -0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.127 -6.125 -4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.776 -5.360 -2.185 1.00 0.00 H new ATOM 1134 N PRO A 74 7.508 -8.933 -1.535 1.00 0.00 N ATOM 1135 CA PRO A 74 8.022 -10.297 -1.789 1.00 0.00 C ATOM 1136 C PRO A 74 8.688 -10.362 -3.166 1.00 0.00 C ATOM 1137 O PRO A 74 9.891 -10.497 -3.278 1.00 0.00 O ATOM 1138 CB PRO A 74 6.776 -11.183 -1.749 1.00 0.00 C ATOM 1139 CG PRO A 74 5.581 -10.259 -2.049 1.00 0.00 C ATOM 1140 CD PRO A 74 6.045 -8.828 -1.727 1.00 0.00 C ATOM 0 HA PRO A 74 8.774 -10.607 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.844 -11.983 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.666 -11.657 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.278 -10.343 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.717 -10.533 -1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.802 -8.142 -2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.556 -8.447 -0.831 1.00 0.00 H new ATOM 1148 N MET A 75 7.916 -10.262 -4.213 1.00 0.00 N ATOM 1149 CA MET A 75 8.504 -10.312 -5.582 1.00 0.00 C ATOM 1150 C MET A 75 7.382 -10.272 -6.619 1.00 0.00 C ATOM 1151 O MET A 75 7.377 -11.025 -7.573 1.00 0.00 O ATOM 1152 CB MET A 75 9.307 -11.602 -5.752 1.00 0.00 C ATOM 1153 CG MET A 75 8.499 -12.781 -5.211 1.00 0.00 C ATOM 1154 SD MET A 75 8.411 -14.080 -6.466 1.00 0.00 S ATOM 1155 CE MET A 75 8.369 -15.490 -5.333 1.00 0.00 C ATOM 0 H MET A 75 6.903 -10.148 -4.180 1.00 0.00 H new ATOM 0 HA MET A 75 9.163 -9.455 -5.723 1.00 0.00 H new ATOM 0 HB2 MET A 75 9.542 -11.761 -6.805 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.256 -11.524 -5.222 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.963 -13.168 -4.304 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.495 -12.454 -4.940 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.313 -16.416 -5.906 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.273 -15.494 -4.724 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.496 -15.411 -4.686 1.00 0.00 H new ATOM 1165 N LEU A 76 6.431 -9.398 -6.443 1.00 0.00 N ATOM 1166 CA LEU A 76 5.312 -9.308 -7.421 1.00 0.00 C ATOM 1167 C LEU A 76 5.448 -8.009 -8.219 1.00 0.00 C ATOM 1168 O LEU A 76 6.153 -7.106 -7.816 1.00 0.00 O ATOM 1169 CB LEU A 76 3.977 -9.338 -6.672 1.00 0.00 C ATOM 1170 CG LEU A 76 3.846 -8.099 -5.790 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.019 -7.041 -6.520 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.139 -8.487 -4.491 1.00 0.00 C ATOM 0 H LEU A 76 6.380 -8.742 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 76 5.347 -10.153 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.152 -9.377 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.914 -10.238 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 76 4.835 -7.697 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.924 -6.156 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.514 -6.772 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.028 -7.440 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.041 -7.608 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.149 -8.882 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.723 -9.248 -3.972 1.00 0.00 H new ATOM 1184 N PRO A 77 4.782 -7.967 -9.341 1.00 0.00 N ATOM 1185 CA PRO A 77 4.876 -6.757 -10.189 1.00 0.00 C ATOM 1186 C PRO A 77 4.197 -5.546 -9.539 1.00 0.00 C ATOM 1187 O PRO A 77 3.305 -5.672 -8.721 1.00 0.00 O ATOM 1188 CB PRO A 77 4.172 -7.146 -11.488 1.00 0.00 C ATOM 1189 CG PRO A 77 3.245 -8.323 -11.151 1.00 0.00 C ATOM 1190 CD PRO A 77 3.758 -8.923 -9.834 1.00 0.00 C ATOM 0 HA PRO A 77 5.912 -6.455 -10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.602 -6.306 -11.886 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.897 -7.430 -12.251 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.213 -7.986 -11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.259 -9.067 -11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.949 -9.039 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.187 -9.912 -9.993 1.00 0.00 H new ATOM 1198 N VAL A 78 4.628 -4.367 -9.911 1.00 0.00 N ATOM 1199 CA VAL A 78 4.040 -3.120 -9.345 1.00 0.00 C ATOM 1200 C VAL A 78 3.839 -2.122 -10.488 1.00 0.00 C ATOM 1201 O VAL A 78 4.378 -2.295 -11.560 1.00 0.00 O ATOM 1202 CB VAL A 78 5.007 -2.516 -8.320 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.606 -2.946 -6.908 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.436 -2.990 -8.606 1.00 0.00 C ATOM 0 H VAL A 78 5.372 -4.216 -10.592 1.00 0.00 H new ATOM 0 HA VAL A 78 3.090 -3.342 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 78 4.963 -1.429 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.298 -2.513 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.595 -2.599 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.639 -4.033 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.117 -2.556 -7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.478 -4.077 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.731 -2.674 -9.607 1.00 0.00 H new ATOM 1214 N ILE A 79 3.078 -1.079 -10.283 1.00 0.00 N ATOM 1215 CA ILE A 79 2.885 -0.100 -11.395 1.00 0.00 C ATOM 1216 C ILE A 79 3.078 1.337 -10.895 1.00 0.00 C ATOM 1217 O ILE A 79 2.728 1.675 -9.779 1.00 0.00 O ATOM 1218 CB ILE A 79 1.481 -0.263 -12.002 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.532 0.113 -13.486 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.471 0.646 -11.288 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.130 0.008 -14.091 1.00 0.00 C ATOM 0 H ILE A 79 2.591 -0.864 -9.413 1.00 0.00 H new ATOM 0 HA ILE A 79 3.632 -0.300 -12.163 1.00 0.00 H new ATOM 0 HB ILE A 79 1.165 -1.299 -11.882 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.914 1.127 -13.602 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.218 -0.548 -14.016 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.515 0.515 -11.733 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.430 0.384 -10.231 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.780 1.686 -11.392 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.168 0.276 -15.147 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.235 -1.014 -13.989 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.544 0.687 -13.569 1.00 0.00 H new ATOM 1233 N ILE A 80 3.617 2.182 -11.732 1.00 0.00 N ATOM 1234 CA ILE A 80 3.826 3.604 -11.346 1.00 0.00 C ATOM 1235 C ILE A 80 2.832 4.475 -12.114 1.00 0.00 C ATOM 1236 O ILE A 80 3.089 4.889 -13.228 1.00 0.00 O ATOM 1237 CB ILE A 80 5.251 4.029 -11.705 1.00 0.00 C ATOM 1238 CG1 ILE A 80 6.249 3.181 -10.915 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.448 5.506 -11.358 1.00 0.00 C ATOM 1240 CD1 ILE A 80 7.463 2.872 -11.793 1.00 0.00 C ATOM 0 H ILE A 80 3.924 1.944 -12.675 1.00 0.00 H new ATOM 0 HA ILE A 80 3.674 3.720 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 80 5.415 3.884 -12.773 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.563 3.712 -10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.777 2.254 -10.589 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.464 5.808 -11.614 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.737 6.110 -11.922 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.284 5.654 -10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.175 2.268 -11.230 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.142 2.324 -12.678 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.939 3.804 -12.097 1.00 0.00 H new ATOM 1252 N MET A 81 1.695 4.753 -11.536 1.00 0.00 N ATOM 1253 CA MET A 81 0.690 5.591 -12.246 1.00 0.00 C ATOM 1254 C MET A 81 1.247 7.003 -12.441 1.00 0.00 C ATOM 1255 O MET A 81 1.169 7.817 -11.551 1.00 0.00 O ATOM 1256 CB MET A 81 -0.598 5.656 -11.423 1.00 0.00 C ATOM 1257 CG MET A 81 -1.805 5.626 -12.362 1.00 0.00 C ATOM 1258 SD MET A 81 -2.641 4.028 -12.221 1.00 0.00 S ATOM 1259 CE MET A 81 -3.695 4.196 -13.682 1.00 0.00 C ATOM 0 H MET A 81 1.420 4.437 -10.606 1.00 0.00 H new ATOM 0 HA MET A 81 0.474 5.150 -13.219 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.642 4.816 -10.730 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.613 6.566 -10.823 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.494 6.432 -12.111 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.483 5.790 -13.390 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.993 3.207 -14.031 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.583 4.773 -13.425 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.145 4.709 -14.471 1.00 0.00 H new ATOM 1269 N THR A 82 1.800 7.264 -13.609 1.00 0.00 N ATOM 1270 CA THR A 82 2.395 8.606 -13.960 1.00 0.00 C ATOM 1271 C THR A 82 3.851 8.408 -14.379 1.00 0.00 C ATOM 1272 O THR A 82 4.375 7.312 -14.336 1.00 0.00 O ATOM 1273 CB THR A 82 2.363 9.592 -12.786 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.751 10.878 -13.249 1.00 0.00 O ATOM 1275 CG2 THR A 82 3.337 9.130 -11.699 1.00 0.00 C ATOM 0 H THR A 82 1.866 6.578 -14.361 1.00 0.00 H new ATOM 0 HA THR A 82 1.795 9.025 -14.768 1.00 0.00 H new ATOM 0 HB THR A 82 1.355 9.635 -12.373 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.731 11.514 -12.503 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.312 9.832 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.047 8.140 -11.348 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.346 9.088 -12.109 1.00 0.00 H new ATOM 1283 N ALA A 83 4.514 9.458 -14.774 1.00 0.00 N ATOM 1284 CA ALA A 83 5.940 9.330 -15.184 1.00 0.00 C ATOM 1285 C ALA A 83 6.735 10.504 -14.609 1.00 0.00 C ATOM 1286 O ALA A 83 7.808 10.829 -15.076 1.00 0.00 O ATOM 1287 CB ALA A 83 6.040 9.345 -16.711 1.00 0.00 C ATOM 0 H ALA A 83 4.130 10.401 -14.831 1.00 0.00 H new ATOM 0 HA ALA A 83 6.345 8.391 -14.807 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.085 9.251 -17.008 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.470 8.512 -17.121 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.637 10.283 -17.093 1.00 0.00 H new ATOM 1293 N HIS A 84 6.212 11.144 -13.600 1.00 0.00 N ATOM 1294 CA HIS A 84 6.930 12.300 -12.994 1.00 0.00 C ATOM 1295 C HIS A 84 7.818 11.810 -11.847 1.00 0.00 C ATOM 1296 O HIS A 84 8.936 11.383 -12.057 1.00 0.00 O ATOM 1297 CB HIS A 84 5.906 13.305 -12.461 1.00 0.00 C ATOM 1298 CG HIS A 84 5.237 13.998 -13.616 1.00 0.00 C ATOM 1299 ND1 HIS A 84 5.268 15.375 -13.769 1.00 0.00 N ATOM 1300 CD2 HIS A 84 4.518 13.517 -14.683 1.00 0.00 C ATOM 1301 CE1 HIS A 84 4.585 15.674 -14.891 1.00 0.00 C ATOM 1302 NE2 HIS A 84 4.106 14.577 -15.486 1.00 0.00 N ATOM 0 H HIS A 84 5.317 10.916 -13.168 1.00 0.00 H new ATOM 0 HA HIS A 84 7.554 12.780 -13.748 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.163 12.794 -11.850 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.398 14.036 -11.819 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.305 12.475 -14.870 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.442 16.677 -15.264 1.00 0.00 H new ATOM 0 HE2 HIS A 84 3.557 14.527 -16.344 1.00 0.00 H new ATOM 1310 N SER A 85 7.333 11.863 -10.634 1.00 0.00 N ATOM 1311 CA SER A 85 8.156 11.397 -9.482 1.00 0.00 C ATOM 1312 C SER A 85 8.266 9.872 -9.520 1.00 0.00 C ATOM 1313 O SER A 85 7.493 9.165 -8.904 1.00 0.00 O ATOM 1314 CB SER A 85 7.493 11.829 -8.173 1.00 0.00 C ATOM 1315 OG SER A 85 7.769 13.204 -7.936 1.00 0.00 O ATOM 0 H SER A 85 6.404 12.208 -10.393 1.00 0.00 H new ATOM 0 HA SER A 85 9.152 11.835 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 85 6.416 11.667 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.866 11.224 -7.347 1.00 0.00 H new ATOM 0 HG SER A 85 7.344 13.483 -7.099 1.00 0.00 H new ATOM 1321 N ASP A 86 9.224 9.362 -10.241 1.00 0.00 N ATOM 1322 CA ASP A 86 9.394 7.886 -10.325 1.00 0.00 C ATOM 1323 C ASP A 86 10.595 7.573 -11.217 1.00 0.00 C ATOM 1324 O ASP A 86 11.330 6.638 -10.975 1.00 0.00 O ATOM 1325 CB ASP A 86 8.133 7.256 -10.918 1.00 0.00 C ATOM 1326 CG ASP A 86 8.415 5.795 -11.263 1.00 0.00 C ATOM 1327 OD1 ASP A 86 8.842 5.073 -10.378 1.00 0.00 O ATOM 1328 OD2 ASP A 86 8.200 5.422 -12.405 1.00 0.00 O ATOM 0 H ASP A 86 9.899 9.906 -10.778 1.00 0.00 H new ATOM 0 HA ASP A 86 9.561 7.477 -9.328 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.310 7.322 -10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.826 7.800 -11.811 1.00 0.00 H new ATOM 1333 N LEU A 87 10.781 8.348 -12.257 1.00 0.00 N ATOM 1334 CA LEU A 87 11.924 8.118 -13.193 1.00 0.00 C ATOM 1335 C LEU A 87 13.156 7.621 -12.426 1.00 0.00 C ATOM 1336 O LEU A 87 13.975 6.895 -12.951 1.00 0.00 O ATOM 1337 CB LEU A 87 12.269 9.441 -13.881 1.00 0.00 C ATOM 1338 CG LEU A 87 12.057 9.306 -15.390 1.00 0.00 C ATOM 1339 CD1 LEU A 87 12.834 8.094 -15.908 1.00 0.00 C ATOM 1340 CD2 LEU A 87 10.567 9.117 -15.680 1.00 0.00 C ATOM 0 H LEU A 87 10.183 9.138 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 87 11.638 7.365 -13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.644 10.242 -13.486 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.304 9.712 -13.672 1.00 0.00 H new ATOM 0 HG LEU A 87 12.414 10.207 -15.889 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.683 7.997 -16.983 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.896 8.227 -15.701 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.477 7.193 -15.409 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.415 9.021 -16.755 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.211 8.216 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.012 9.980 -15.311 1.00 0.00 H new ATOM 1352 N ASP A 88 13.296 8.021 -11.189 1.00 0.00 N ATOM 1353 CA ASP A 88 14.479 7.587 -10.391 1.00 0.00 C ATOM 1354 C ASP A 88 14.158 6.305 -9.617 1.00 0.00 C ATOM 1355 O ASP A 88 14.873 5.325 -9.696 1.00 0.00 O ATOM 1356 CB ASP A 88 14.847 8.695 -9.402 1.00 0.00 C ATOM 1357 CG ASP A 88 16.345 8.989 -9.500 1.00 0.00 C ATOM 1358 OD1 ASP A 88 16.837 9.090 -10.612 1.00 0.00 O ATOM 1359 OD2 ASP A 88 16.975 9.106 -8.462 1.00 0.00 O ATOM 0 H ASP A 88 12.642 8.630 -10.697 1.00 0.00 H new ATOM 0 HA ASP A 88 15.313 7.392 -11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 88 14.274 9.596 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.591 8.391 -8.387 1.00 0.00 H new ATOM 1364 N ALA A 89 13.098 6.307 -8.856 1.00 0.00 N ATOM 1365 CA ALA A 89 12.740 5.095 -8.064 1.00 0.00 C ATOM 1366 C ALA A 89 12.678 3.862 -8.974 1.00 0.00 C ATOM 1367 O ALA A 89 12.714 2.738 -8.510 1.00 0.00 O ATOM 1368 CB ALA A 89 11.378 5.308 -7.399 1.00 0.00 C ATOM 0 H ALA A 89 12.463 7.098 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 89 13.502 4.932 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.114 4.423 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.427 6.174 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.622 5.479 -8.165 1.00 0.00 H new ATOM 1374 N ALA A 90 12.581 4.054 -10.262 1.00 0.00 N ATOM 1375 CA ALA A 90 12.513 2.884 -11.183 1.00 0.00 C ATOM 1376 C ALA A 90 13.905 2.577 -11.742 1.00 0.00 C ATOM 1377 O ALA A 90 14.535 1.613 -11.359 1.00 0.00 O ATOM 1378 CB ALA A 90 11.564 3.204 -12.340 1.00 0.00 C ATOM 0 H ALA A 90 12.546 4.967 -10.715 1.00 0.00 H new ATOM 0 HA ALA A 90 12.147 2.017 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.512 2.350 -13.015 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.570 3.416 -11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.933 4.074 -12.883 1.00 0.00 H new ATOM 1384 N VAL A 91 14.372 3.385 -12.660 1.00 0.00 N ATOM 1385 CA VAL A 91 15.714 3.157 -13.279 1.00 0.00 C ATOM 1386 C VAL A 91 16.690 2.552 -12.261 1.00 0.00 C ATOM 1387 O VAL A 91 17.553 1.770 -12.609 1.00 0.00 O ATOM 1388 CB VAL A 91 16.266 4.497 -13.771 1.00 0.00 C ATOM 1389 CG1 VAL A 91 17.746 4.345 -14.131 1.00 0.00 C ATOM 1390 CG2 VAL A 91 15.487 4.941 -15.010 1.00 0.00 C ATOM 0 H VAL A 91 13.874 4.203 -13.011 1.00 0.00 H new ATOM 0 HA VAL A 91 15.605 2.460 -14.110 1.00 0.00 H new ATOM 0 HB VAL A 91 16.161 5.242 -12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.135 5.301 -14.481 1.00 0.00 H new ATOM 0 HG12 VAL A 91 18.304 4.026 -13.250 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.854 3.599 -14.918 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.878 5.895 -15.363 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.594 4.192 -15.795 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.433 5.052 -14.756 1.00 0.00 H new ATOM 1400 N SER A 92 16.567 2.909 -11.012 1.00 0.00 N ATOM 1401 CA SER A 92 17.495 2.353 -9.986 1.00 0.00 C ATOM 1402 C SER A 92 16.832 1.173 -9.272 1.00 0.00 C ATOM 1403 O SER A 92 15.894 0.582 -9.770 1.00 0.00 O ATOM 1404 CB SER A 92 17.842 3.438 -8.966 1.00 0.00 C ATOM 1405 OG SER A 92 19.245 3.433 -8.734 1.00 0.00 O ATOM 0 H SER A 92 15.866 3.560 -10.658 1.00 0.00 H new ATOM 0 HA SER A 92 18.406 2.011 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.526 4.414 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.307 3.261 -8.033 1.00 0.00 H new ATOM 0 HG SER A 92 19.471 4.129 -8.082 1.00 0.00 H new ATOM 1411 N ALA A 93 17.315 0.822 -8.111 1.00 0.00 N ATOM 1412 CA ALA A 93 16.714 -0.324 -7.374 1.00 0.00 C ATOM 1413 C ALA A 93 16.502 -1.483 -8.347 1.00 0.00 C ATOM 1414 O ALA A 93 16.995 -1.467 -9.457 1.00 0.00 O ATOM 1415 CB ALA A 93 15.368 0.097 -6.778 1.00 0.00 C ATOM 0 H ALA A 93 18.098 1.278 -7.643 1.00 0.00 H new ATOM 0 HA ALA A 93 17.380 -0.634 -6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.930 -0.743 -6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 93 15.519 0.930 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.696 0.405 -7.579 1.00 0.00 H new ATOM 1421 N TYR A 94 15.773 -2.487 -7.948 1.00 0.00 N ATOM 1422 CA TYR A 94 15.535 -3.639 -8.861 1.00 0.00 C ATOM 1423 C TYR A 94 14.871 -3.132 -10.145 1.00 0.00 C ATOM 1424 O TYR A 94 13.663 -3.065 -10.246 1.00 0.00 O ATOM 1425 CB TYR A 94 14.625 -4.657 -8.172 1.00 0.00 C ATOM 1426 CG TYR A 94 15.293 -5.154 -6.912 1.00 0.00 C ATOM 1427 CD1 TYR A 94 16.603 -5.647 -6.964 1.00 0.00 C ATOM 1428 CD2 TYR A 94 14.605 -5.120 -5.694 1.00 0.00 C ATOM 1429 CE1 TYR A 94 17.224 -6.107 -5.796 1.00 0.00 C ATOM 1430 CE2 TYR A 94 15.227 -5.581 -4.525 1.00 0.00 C ATOM 1431 CZ TYR A 94 16.537 -6.074 -4.578 1.00 0.00 C ATOM 1432 OH TYR A 94 17.149 -6.527 -3.427 1.00 0.00 O ATOM 0 H TYR A 94 15.332 -2.560 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 94 16.483 -4.118 -9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 94 13.665 -4.200 -7.932 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.421 -5.492 -8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.134 -5.672 -7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.595 -4.739 -5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.234 -6.487 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.697 -5.556 -3.585 1.00 0.00 H new ATOM 0 HH TYR A 94 16.533 -6.433 -2.670 1.00 0.00 H new ATOM 1442 N GLN A 95 15.656 -2.767 -11.123 1.00 0.00 N ATOM 1443 CA GLN A 95 15.077 -2.254 -12.397 1.00 0.00 C ATOM 1444 C GLN A 95 14.948 -3.399 -13.405 1.00 0.00 C ATOM 1445 O GLN A 95 14.758 -3.181 -14.586 1.00 0.00 O ATOM 1446 CB GLN A 95 15.992 -1.168 -12.968 1.00 0.00 C ATOM 1447 CG GLN A 95 17.410 -1.722 -13.125 1.00 0.00 C ATOM 1448 CD GLN A 95 17.751 -1.840 -14.610 1.00 0.00 C ATOM 1449 OE1 GLN A 95 16.904 -1.640 -15.459 1.00 0.00 O ATOM 1450 NE2 GLN A 95 18.966 -2.159 -14.964 1.00 0.00 N ATOM 0 H GLN A 95 16.675 -2.802 -11.094 1.00 0.00 H new ATOM 0 HA GLN A 95 14.089 -1.835 -12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.614 -0.830 -13.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.000 -0.301 -12.307 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.125 -1.066 -12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.486 -2.698 -12.645 1.00 0.00 H new ATOM 0 HE21 GLN A 95 19.677 -2.327 -14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 95 19.204 -2.240 -15.952 1.00 0.00 H new ATOM 1459 N GLN A 96 15.045 -4.618 -12.950 1.00 0.00 N ATOM 1460 CA GLN A 96 14.924 -5.776 -13.882 1.00 0.00 C ATOM 1461 C GLN A 96 13.681 -5.598 -14.757 1.00 0.00 C ATOM 1462 O GLN A 96 13.686 -5.907 -15.932 1.00 0.00 O ATOM 1463 CB GLN A 96 14.795 -7.065 -13.069 1.00 0.00 C ATOM 1464 CG GLN A 96 15.632 -8.170 -13.718 1.00 0.00 C ATOM 1465 CD GLN A 96 16.523 -8.822 -12.661 1.00 0.00 C ATOM 1466 OE1 GLN A 96 16.145 -9.799 -12.047 1.00 0.00 O ATOM 1467 NE2 GLN A 96 17.703 -8.317 -12.418 1.00 0.00 N ATOM 0 H GLN A 96 15.203 -4.863 -11.973 1.00 0.00 H new ATOM 0 HA GLN A 96 15.809 -5.830 -14.516 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.129 -6.896 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.750 -7.370 -13.017 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.980 -8.917 -14.170 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.244 -7.755 -14.519 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.022 -7.496 -12.933 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.305 -8.743 -11.714 1.00 0.00 H new ATOM 1476 N GLY A 97 12.614 -5.101 -14.191 1.00 0.00 N ATOM 1477 CA GLY A 97 11.365 -4.899 -14.984 1.00 0.00 C ATOM 1478 C GLY A 97 10.203 -4.621 -14.028 1.00 0.00 C ATOM 1479 O GLY A 97 9.977 -3.499 -13.624 1.00 0.00 O ATOM 0 H GLY A 97 12.553 -4.825 -13.211 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.490 -4.066 -15.676 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.154 -5.784 -15.585 1.00 0.00 H new ATOM 1483 N ALA A 98 9.469 -5.636 -13.660 1.00 0.00 N ATOM 1484 CA ALA A 98 8.328 -5.432 -12.720 1.00 0.00 C ATOM 1485 C ALA A 98 7.207 -4.655 -13.416 1.00 0.00 C ATOM 1486 O ALA A 98 6.239 -4.271 -12.791 1.00 0.00 O ATOM 1487 CB ALA A 98 8.812 -4.645 -11.500 1.00 0.00 C ATOM 0 H ALA A 98 9.610 -6.598 -13.969 1.00 0.00 H new ATOM 0 HA ALA A 98 7.945 -6.403 -12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.981 -4.494 -10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.603 -5.202 -10.998 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.198 -3.677 -11.821 1.00 0.00 H new ATOM 1493 N PHE A 99 7.338 -4.430 -14.701 1.00 0.00 N ATOM 1494 CA PHE A 99 6.292 -3.682 -15.469 1.00 0.00 C ATOM 1495 C PHE A 99 5.919 -2.377 -14.738 1.00 0.00 C ATOM 1496 O PHE A 99 5.345 -2.388 -13.670 1.00 0.00 O ATOM 1497 CB PHE A 99 5.055 -4.590 -15.674 1.00 0.00 C ATOM 1498 CG PHE A 99 3.909 -4.164 -14.782 1.00 0.00 C ATOM 1499 CD1 PHE A 99 3.805 -4.681 -13.488 1.00 0.00 C ATOM 1500 CD2 PHE A 99 2.965 -3.243 -15.246 1.00 0.00 C ATOM 1501 CE1 PHE A 99 2.755 -4.278 -12.655 1.00 0.00 C ATOM 1502 CE2 PHE A 99 1.918 -2.836 -14.413 1.00 0.00 C ATOM 1503 CZ PHE A 99 1.812 -3.354 -13.117 1.00 0.00 C ATOM 0 H PHE A 99 8.136 -4.737 -15.258 1.00 0.00 H new ATOM 0 HA PHE A 99 6.685 -3.408 -16.448 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.741 -4.551 -16.717 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.321 -5.625 -15.459 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.535 -5.392 -13.130 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.044 -2.846 -16.247 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.673 -4.680 -11.656 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.191 -2.122 -14.770 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.003 -3.040 -12.474 1.00 0.00 H new ATOM 1513 N ASP A 100 6.239 -1.250 -15.309 1.00 0.00 N ATOM 1514 CA ASP A 100 5.897 0.038 -14.640 1.00 0.00 C ATOM 1515 C ASP A 100 5.587 1.105 -15.694 1.00 0.00 C ATOM 1516 O ASP A 100 5.452 0.815 -16.865 1.00 0.00 O ATOM 1517 CB ASP A 100 7.081 0.502 -13.787 1.00 0.00 C ATOM 1518 CG ASP A 100 8.391 -0.006 -14.395 1.00 0.00 C ATOM 1519 OD1 ASP A 100 8.749 -1.139 -14.119 1.00 0.00 O ATOM 1520 OD2 ASP A 100 9.012 0.748 -15.125 1.00 0.00 O ATOM 0 H ASP A 100 6.720 -1.164 -16.204 1.00 0.00 H new ATOM 0 HA ASP A 100 5.023 -0.111 -14.006 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.095 1.590 -13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.974 0.130 -12.768 1.00 0.00 H new ATOM 1525 N TYR A 101 5.482 2.338 -15.276 1.00 0.00 N ATOM 1526 CA TYR A 101 5.191 3.444 -16.235 1.00 0.00 C ATOM 1527 C TYR A 101 3.794 3.278 -16.845 1.00 0.00 C ATOM 1528 O TYR A 101 3.607 2.575 -17.817 1.00 0.00 O ATOM 1529 CB TYR A 101 6.245 3.451 -17.349 1.00 0.00 C ATOM 1530 CG TYR A 101 7.511 4.095 -16.836 1.00 0.00 C ATOM 1531 CD1 TYR A 101 8.078 3.658 -15.632 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.116 5.129 -17.560 1.00 0.00 C ATOM 1533 CE1 TYR A 101 9.251 4.255 -15.153 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.290 5.726 -17.081 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.857 5.288 -15.877 1.00 0.00 C ATOM 1536 OH TYR A 101 11.013 5.875 -15.405 1.00 0.00 O ATOM 0 H TYR A 101 5.586 2.629 -14.304 1.00 0.00 H new ATOM 0 HA TYR A 101 5.223 4.390 -15.695 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.449 2.432 -17.678 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.871 3.997 -18.215 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.611 2.861 -15.073 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.678 5.467 -18.488 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.688 3.918 -14.225 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.757 6.523 -17.640 1.00 0.00 H new ATOM 0 HH TYR A 101 11.789 5.356 -15.703 1.00 0.00 H new ATOM 1546 N LEU A 102 2.817 3.945 -16.287 1.00 0.00 N ATOM 1547 CA LEU A 102 1.429 3.863 -16.831 1.00 0.00 C ATOM 1548 C LEU A 102 0.814 5.266 -16.786 1.00 0.00 C ATOM 1549 O LEU A 102 0.311 5.691 -15.766 1.00 0.00 O ATOM 1550 CB LEU A 102 0.590 2.903 -15.979 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.669 2.496 -16.751 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.308 1.472 -17.830 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.679 1.870 -15.786 1.00 0.00 C ATOM 0 H LEU A 102 2.923 4.548 -15.471 1.00 0.00 H new ATOM 0 HA LEU A 102 1.449 3.491 -17.855 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.175 2.019 -15.726 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.314 3.382 -15.039 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.102 3.380 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.207 1.186 -18.376 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.412 1.910 -18.521 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.129 0.589 -17.363 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.575 1.580 -16.335 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.238 0.989 -15.319 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.944 2.595 -15.016 1.00 0.00 H new ATOM 1565 N PRO A 103 0.905 5.948 -17.897 1.00 0.00 N ATOM 1566 CA PRO A 103 0.369 7.329 -17.946 1.00 0.00 C ATOM 1567 C PRO A 103 -1.162 7.339 -17.913 1.00 0.00 C ATOM 1568 O PRO A 103 -1.803 6.326 -17.715 1.00 0.00 O ATOM 1569 CB PRO A 103 0.880 7.886 -19.275 1.00 0.00 C ATOM 1570 CG PRO A 103 1.174 6.668 -20.169 1.00 0.00 C ATOM 1571 CD PRO A 103 1.330 5.461 -19.230 1.00 0.00 C ATOM 0 HA PRO A 103 0.689 7.920 -17.088 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.136 8.536 -19.736 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.778 8.485 -19.126 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.364 6.504 -20.879 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.082 6.825 -20.752 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.713 4.624 -19.558 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.361 5.108 -19.210 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.745 8.494 -18.105 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.231 8.611 -18.087 1.00 0.00 C ATOM 1581 C LYS A 104 -3.657 9.608 -19.181 1.00 0.00 C ATOM 1582 O LYS A 104 -2.827 10.325 -19.705 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.668 9.094 -16.689 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.793 10.624 -16.653 1.00 0.00 C ATOM 1585 CD LYS A 104 -3.564 11.125 -15.225 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.253 12.623 -15.252 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.515 13.393 -15.066 1.00 0.00 N ATOM 0 H LYS A 104 -1.249 9.369 -18.275 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.707 7.651 -18.287 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.624 8.641 -16.425 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.943 8.767 -15.944 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.065 11.074 -17.328 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.781 10.926 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.449 10.938 -14.617 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.740 10.580 -14.765 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.542 12.872 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.786 12.892 -16.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.306 14.412 -15.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.179 13.162 -15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.942 13.143 -14.151 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.931 9.630 -19.501 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.906 8.736 -18.835 1.00 0.00 C ATOM 1603 C PRO A 105 -5.776 7.304 -19.360 1.00 0.00 C ATOM 1604 O PRO A 105 -5.954 7.044 -20.533 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.270 9.319 -19.209 1.00 0.00 C ATOM 1606 CG PRO A 105 -7.053 10.136 -20.497 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.551 10.458 -20.565 1.00 0.00 C ATOM 0 HA PRO A 105 -5.752 8.685 -17.757 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.001 8.526 -19.370 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.656 9.950 -18.409 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.368 9.569 -21.373 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.645 11.051 -20.480 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.139 10.215 -21.544 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.367 11.519 -20.397 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.474 6.371 -18.499 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.343 4.961 -18.953 1.00 0.00 C ATOM 1617 C PHE A 106 -6.678 4.245 -18.774 1.00 0.00 C ATOM 1618 O PHE A 106 -7.578 4.734 -18.120 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.269 4.249 -18.130 1.00 0.00 C ATOM 1620 CG PHE A 106 -4.254 2.784 -18.475 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -3.448 2.327 -19.522 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.047 1.882 -17.757 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -3.435 0.966 -19.853 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.035 0.522 -18.086 1.00 0.00 C ATOM 1625 CZ PHE A 106 -4.230 0.064 -19.135 1.00 0.00 C ATOM 0 H PHE A 106 -5.313 6.525 -17.504 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.057 4.947 -20.005 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.292 4.690 -18.330 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.466 4.380 -17.066 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.835 3.023 -20.076 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.669 2.236 -16.948 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.812 0.612 -20.661 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.647 -0.174 -17.531 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.222 -0.985 -19.391 1.00 0.00 H new ATOM 1635 N ASP A 107 -6.811 3.090 -19.354 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.083 2.332 -19.232 1.00 0.00 C ATOM 1637 C ASP A 107 -8.183 1.724 -17.829 1.00 0.00 C ATOM 1638 O ASP A 107 -7.738 2.304 -16.858 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.085 1.219 -20.276 1.00 0.00 C ATOM 1640 CG ASP A 107 -9.525 0.871 -20.657 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -10.414 1.607 -20.263 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -9.714 -0.126 -21.335 1.00 0.00 O ATOM 0 H ASP A 107 -6.088 2.634 -19.912 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.933 2.995 -19.393 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.531 1.536 -21.160 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.580 0.337 -19.882 1.00 0.00 H new ATOM 1647 N ILE A 108 -8.771 0.565 -17.711 1.00 0.00 N ATOM 1648 CA ILE A 108 -8.902 -0.073 -16.377 1.00 0.00 C ATOM 1649 C ILE A 108 -8.649 -1.574 -16.513 1.00 0.00 C ATOM 1650 O ILE A 108 -7.616 -2.078 -16.124 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.318 0.171 -15.856 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.424 1.591 -15.293 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.662 -0.840 -14.757 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.692 1.671 -13.952 1.00 0.00 C ATOM 0 H ILE A 108 -9.167 0.033 -18.486 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.178 0.350 -15.681 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.020 0.051 -16.681 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.994 2.304 -15.996 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.471 1.864 -15.163 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.673 -0.654 -14.395 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.601 -1.851 -15.160 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.957 -0.735 -13.932 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.770 2.683 -13.555 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -10.142 0.970 -13.249 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.642 1.417 -14.095 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.583 -2.288 -17.074 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.397 -3.746 -17.249 1.00 0.00 C ATOM 1668 C ASP A 109 -8.184 -3.966 -18.127 1.00 0.00 C ATOM 1669 O ASP A 109 -7.465 -4.929 -17.994 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.632 -4.299 -17.937 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.664 -5.822 -17.810 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -9.714 -6.374 -17.281 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.641 -6.412 -18.243 1.00 0.00 O ATOM 0 H ASP A 109 -10.469 -1.919 -17.419 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.253 -4.244 -16.290 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.529 -3.870 -17.491 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.631 -4.014 -18.989 1.00 0.00 H new ATOM 1678 N GLU A 110 -7.949 -3.063 -19.022 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.767 -3.197 -19.904 1.00 0.00 C ATOM 1680 C GLU A 110 -5.529 -3.323 -19.017 1.00 0.00 C ATOM 1681 O GLU A 110 -4.619 -4.077 -19.305 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.653 -1.952 -20.781 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.449 -2.082 -21.715 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.318 -0.809 -22.554 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.802 0.219 -22.112 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.738 -0.885 -23.624 1.00 0.00 O ATOM 0 H GLU A 110 -8.523 -2.236 -19.183 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.859 -4.074 -20.545 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.565 -1.823 -21.364 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.546 -1.065 -20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.540 -2.244 -21.135 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.571 -2.948 -22.365 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.492 -2.595 -17.930 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.329 -2.674 -17.017 1.00 0.00 C ATOM 1695 C ALA A 111 -4.400 -3.975 -16.209 1.00 0.00 C ATOM 1696 O ALA A 111 -3.611 -4.877 -16.399 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.393 -1.483 -16.070 1.00 0.00 C ATOM 0 H ALA A 111 -6.225 -1.948 -17.640 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.398 -2.660 -17.584 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.546 -1.517 -15.385 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.357 -0.558 -16.646 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.322 -1.520 -15.501 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.330 -4.061 -15.291 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.456 -5.280 -14.440 1.00 0.00 C ATOM 1705 C VAL A 112 -5.151 -6.547 -15.248 1.00 0.00 C ATOM 1706 O VAL A 112 -4.454 -7.436 -14.801 1.00 0.00 O ATOM 1707 CB VAL A 112 -6.893 -5.353 -13.921 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.149 -6.724 -13.292 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.107 -4.263 -12.869 1.00 0.00 C ATOM 0 H VAL A 112 -6.014 -3.330 -15.094 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.744 -5.218 -13.617 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.584 -5.204 -14.751 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.174 -6.770 -12.924 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.997 -7.502 -14.040 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.459 -6.878 -12.463 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.130 -4.312 -12.497 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.413 -4.414 -12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -6.931 -3.285 -13.317 1.00 0.00 H new ATOM 1719 N ALA A 113 -5.697 -6.640 -16.427 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.484 -7.848 -17.275 1.00 0.00 C ATOM 1721 C ALA A 113 -4.098 -7.826 -17.919 1.00 0.00 C ATOM 1722 O ALA A 113 -3.233 -8.597 -17.555 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.547 -7.876 -18.376 1.00 0.00 C ATOM 0 H ALA A 113 -6.289 -5.923 -16.845 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.560 -8.735 -16.646 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.400 -8.756 -19.002 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.538 -7.914 -17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.461 -6.978 -18.987 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.895 -6.963 -18.886 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.579 -6.886 -19.586 1.00 0.00 C ATOM 1731 C LEU A 114 -1.453 -7.217 -18.614 1.00 0.00 C ATOM 1732 O LEU A 114 -0.677 -8.127 -18.831 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.399 -5.468 -20.117 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.990 -5.305 -20.686 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.796 -6.285 -21.842 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.807 -3.873 -21.199 1.00 0.00 C ATOM 0 H LEU A 114 -4.595 -6.302 -19.222 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.552 -7.602 -20.407 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.140 -5.262 -20.890 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.564 -4.746 -19.317 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.257 -5.508 -19.905 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.208 -6.172 -22.251 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.928 -7.305 -21.480 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.530 -6.079 -22.621 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.198 -3.757 -21.605 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.539 -3.670 -21.981 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.949 -3.171 -20.377 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.371 -6.502 -17.531 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.317 -6.790 -16.540 1.00 0.00 C ATOM 1750 C VAL A 115 -0.520 -8.207 -16.008 1.00 0.00 C ATOM 1751 O VAL A 115 0.377 -9.024 -16.056 1.00 0.00 O ATOM 1752 CB VAL A 115 -0.429 -5.799 -15.389 1.00 0.00 C ATOM 1753 CG1 VAL A 115 0.588 -6.165 -14.321 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.144 -4.388 -15.895 1.00 0.00 C ATOM 0 H VAL A 115 -1.993 -5.729 -17.293 1.00 0.00 H new ATOM 0 HA VAL A 115 0.667 -6.702 -17.002 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.436 -5.835 -14.973 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.515 -5.460 -13.492 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.388 -7.173 -13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 115 1.591 -6.124 -14.745 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.225 -3.682 -15.069 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.863 -4.347 -16.310 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.866 -4.126 -16.668 1.00 0.00 H new ATOM 1764 N GLU A 116 -1.698 -8.487 -15.491 1.00 0.00 N ATOM 1765 CA GLU A 116 -1.994 -9.843 -14.930 1.00 0.00 C ATOM 1766 C GLU A 116 -1.237 -10.909 -15.717 1.00 0.00 C ATOM 1767 O GLU A 116 -0.789 -11.899 -15.173 1.00 0.00 O ATOM 1768 CB GLU A 116 -3.499 -10.119 -15.028 1.00 0.00 C ATOM 1769 CG GLU A 116 -3.768 -11.588 -14.698 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.248 -11.774 -14.359 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -5.619 -11.483 -13.234 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.984 -12.208 -15.230 1.00 0.00 O ATOM 0 H GLU A 116 -2.472 -7.825 -15.435 1.00 0.00 H new ATOM 0 HA GLU A 116 -1.679 -9.873 -13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.044 -9.474 -14.339 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.858 -9.888 -16.031 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.497 -12.217 -15.546 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.149 -11.902 -13.857 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.084 -10.710 -16.995 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.349 -11.704 -17.817 1.00 0.00 C ATOM 1781 C ARG A 117 1.076 -11.832 -17.285 1.00 0.00 C ATOM 1782 O ARG A 117 1.487 -12.887 -16.847 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.337 -11.235 -19.277 1.00 0.00 C ATOM 1784 CG ARG A 117 -1.760 -10.856 -19.699 1.00 0.00 C ATOM 1785 CD ARG A 117 -1.870 -10.892 -21.225 1.00 0.00 C ATOM 1786 NE ARG A 117 -0.809 -10.031 -21.818 1.00 0.00 N ATOM 1787 CZ ARG A 117 -0.659 -9.978 -23.115 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -1.271 -10.843 -23.878 1.00 0.00 N ATOM 1789 NH2 ARG A 117 0.098 -9.057 -23.648 1.00 0.00 N ATOM 0 H ARG A 117 -1.437 -9.900 -17.505 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.836 -12.677 -17.763 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.328 -10.379 -19.391 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.047 -12.025 -19.922 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.478 -11.547 -19.256 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.007 -9.860 -19.330 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.766 -11.916 -21.584 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.854 -10.543 -21.538 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.199 -9.483 -21.211 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.866 -11.559 -23.462 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -1.154 -10.802 -24.890 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.572 -8.379 -23.052 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.215 -9.016 -24.660 1.00 0.00 H new ATOM 1803 N ALA A 118 1.830 -10.769 -17.294 1.00 0.00 N ATOM 1804 CA ALA A 118 3.212 -10.857 -16.756 1.00 0.00 C ATOM 1805 C ALA A 118 3.125 -11.394 -15.328 1.00 0.00 C ATOM 1806 O ALA A 118 3.777 -12.356 -14.972 1.00 0.00 O ATOM 1807 CB ALA A 118 3.851 -9.466 -16.746 1.00 0.00 C ATOM 0 H ALA A 118 1.552 -9.853 -17.647 1.00 0.00 H new ATOM 0 HA ALA A 118 3.821 -11.516 -17.375 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.865 -9.534 -16.351 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.883 -9.073 -17.762 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.261 -8.799 -16.118 1.00 0.00 H new ATOM 1813 N ILE A 119 2.318 -10.763 -14.513 1.00 0.00 N ATOM 1814 CA ILE A 119 2.152 -11.197 -13.100 1.00 0.00 C ATOM 1815 C ILE A 119 2.229 -12.718 -12.999 1.00 0.00 C ATOM 1816 O ILE A 119 2.727 -13.261 -12.033 1.00 0.00 O ATOM 1817 CB ILE A 119 0.782 -10.737 -12.624 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.593 -9.258 -12.980 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.669 -10.914 -11.105 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.567 -8.678 -12.173 1.00 0.00 C ATOM 0 H ILE A 119 1.759 -9.951 -14.776 1.00 0.00 H new ATOM 0 HA ILE A 119 2.944 -10.765 -12.488 1.00 0.00 H new ATOM 0 HB ILE A 119 0.012 -11.336 -13.111 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.508 -8.704 -12.770 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.395 -9.153 -14.047 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.315 -10.582 -10.772 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.803 -11.965 -10.850 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.438 -10.320 -10.611 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.698 -7.627 -12.429 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.481 -9.225 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.351 -8.768 -11.109 1.00 0.00 H new ATOM 1832 N SER A 120 1.732 -13.414 -13.987 1.00 0.00 N ATOM 1833 CA SER A 120 1.777 -14.908 -13.938 1.00 0.00 C ATOM 1834 C SER A 120 3.190 -15.425 -14.281 1.00 0.00 C ATOM 1835 O SER A 120 3.348 -16.500 -14.826 1.00 0.00 O ATOM 1836 CB SER A 120 0.759 -15.474 -14.933 1.00 0.00 C ATOM 1837 OG SER A 120 1.437 -16.061 -16.036 1.00 0.00 O ATOM 0 H SER A 120 1.299 -13.018 -14.821 1.00 0.00 H new ATOM 0 HA SER A 120 1.530 -15.237 -12.928 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.132 -16.218 -14.442 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.098 -14.681 -15.281 1.00 0.00 H new ATOM 0 HG SER A 120 2.029 -16.773 -15.715 1.00 0.00 H new ATOM 1843 N HIS A 121 4.219 -14.684 -13.954 1.00 0.00 N ATOM 1844 CA HIS A 121 5.603 -15.147 -14.250 1.00 0.00 C ATOM 1845 C HIS A 121 5.899 -16.406 -13.432 1.00 0.00 C ATOM 1846 O HIS A 121 6.818 -17.146 -13.720 1.00 0.00 O ATOM 1847 CB HIS A 121 6.591 -14.047 -13.857 1.00 0.00 C ATOM 1848 CG HIS A 121 7.851 -14.176 -14.667 1.00 0.00 C ATOM 1849 ND1 HIS A 121 9.058 -14.554 -14.100 1.00 0.00 N ATOM 1850 CD2 HIS A 121 8.110 -13.972 -16.000 1.00 0.00 C ATOM 1851 CE1 HIS A 121 9.980 -14.564 -15.079 1.00 0.00 C ATOM 1852 NE2 HIS A 121 9.455 -14.218 -16.258 1.00 0.00 N ATOM 0 H HIS A 121 4.157 -13.776 -13.493 1.00 0.00 H new ATOM 0 HA HIS A 121 5.700 -15.369 -15.313 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.142 -13.067 -14.021 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.823 -14.117 -12.794 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.381 -13.667 -16.736 1.00 0.00 H new ATOM 0 HE1 HIS A 121 11.019 -14.821 -14.930 1.00 0.00 H new ATOM 0 HE2 HIS A 121 9.937 -14.149 -17.154 1.00 0.00 H new ATOM 1860 N TYR A 122 5.128 -16.646 -12.407 1.00 0.00 N ATOM 1861 CA TYR A 122 5.361 -17.849 -11.559 1.00 0.00 C ATOM 1862 C TYR A 122 4.623 -19.048 -12.155 1.00 0.00 C ATOM 1863 O TYR A 122 4.049 -19.850 -11.446 1.00 0.00 O ATOM 1864 CB TYR A 122 4.844 -17.591 -10.137 1.00 0.00 C ATOM 1865 CG TYR A 122 4.708 -16.104 -9.886 1.00 0.00 C ATOM 1866 CD1 TYR A 122 5.819 -15.265 -10.033 1.00 0.00 C ATOM 1867 CD2 TYR A 122 3.471 -15.567 -9.510 1.00 0.00 C ATOM 1868 CE1 TYR A 122 5.693 -13.890 -9.802 1.00 0.00 C ATOM 1869 CE2 TYR A 122 3.345 -14.192 -9.279 1.00 0.00 C ATOM 1870 CZ TYR A 122 4.456 -13.353 -9.426 1.00 0.00 C ATOM 1871 OH TYR A 122 4.331 -11.997 -9.200 1.00 0.00 O ATOM 0 H TYR A 122 4.345 -16.059 -12.120 1.00 0.00 H new ATOM 0 HA TYR A 122 6.430 -18.058 -11.523 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.879 -18.079 -10.000 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.528 -18.028 -9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.773 -15.678 -10.325 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.613 -16.214 -9.398 1.00 0.00 H new ATOM 0 HE1 TYR A 122 6.551 -13.243 -9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.391 -13.779 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 122 3.406 -11.791 -8.948 1.00 0.00 H new ATOM 1881 N GLN A 123 4.632 -19.181 -13.454 1.00 0.00 N ATOM 1882 CA GLN A 123 3.931 -20.330 -14.091 1.00 0.00 C ATOM 1883 C GLN A 123 4.870 -21.537 -14.137 1.00 0.00 C ATOM 1884 O GLN A 123 5.058 -22.151 -15.168 1.00 0.00 O ATOM 1885 CB GLN A 123 3.517 -19.954 -15.515 1.00 0.00 C ATOM 1886 CG GLN A 123 2.085 -20.425 -15.775 1.00 0.00 C ATOM 1887 CD GLN A 123 1.896 -20.680 -17.271 1.00 0.00 C ATOM 1888 OE1 GLN A 123 0.933 -20.230 -17.860 1.00 0.00 O ATOM 1889 NE2 GLN A 123 2.781 -21.389 -17.917 1.00 0.00 N ATOM 0 H GLN A 123 5.095 -18.543 -14.101 1.00 0.00 H new ATOM 0 HA GLN A 123 3.043 -20.579 -13.510 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.586 -18.875 -15.651 1.00 0.00 H new ATOM 0 HB3 GLN A 123 4.197 -20.410 -16.235 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.882 -21.336 -15.212 1.00 0.00 H new ATOM 0 HG3 GLN A 123 1.375 -19.673 -15.431 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.590 -21.767 -17.424 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.664 -21.565 -18.915 1.00 0.00 H new ATOM 1898 N GLU A 124 5.463 -21.881 -13.026 1.00 0.00 N ATOM 1899 CA GLU A 124 6.388 -23.048 -13.009 1.00 0.00 C ATOM 1900 C GLU A 124 5.722 -24.214 -12.274 1.00 0.00 C ATOM 1901 O GLU A 124 6.434 -25.123 -11.878 1.00 0.00 O ATOM 1902 CB GLU A 124 7.683 -22.667 -12.288 1.00 0.00 C ATOM 1903 CG GLU A 124 8.349 -21.499 -13.017 1.00 0.00 C ATOM 1904 CD GLU A 124 9.684 -21.174 -12.345 1.00 0.00 C ATOM 1905 OE1 GLU A 124 10.190 -22.024 -11.632 1.00 0.00 O ATOM 1906 OE2 GLU A 124 10.178 -20.077 -12.554 1.00 0.00 O ATOM 1907 OXT GLU A 124 4.513 -24.178 -12.119 1.00 0.00 O ATOM 0 H GLU A 124 5.347 -21.405 -12.131 1.00 0.00 H new ATOM 0 HA GLU A 124 6.617 -23.343 -14.033 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.469 -22.390 -11.256 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.359 -23.522 -12.256 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.509 -21.754 -14.065 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.698 -20.625 -12.998 1.00 0.00 H new