USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 967 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 11 SER OG : rot -55:sc= 0.169 USER MOD Set 1.2: A 76 CYS SG : rot 12:sc= -0.0847 USER MOD Set 2.1: A 58 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 6:sc= -3.38! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= -3.14! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 36:sc= 0.346 USER MOD Single : A 38 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.6!) USER MOD Single : A 40 MET CE :methyl -141:sc= -1.13 (180deg=-1.37) USER MOD Single : A 41 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 46 THR OG1 : rot 82:sc= 0.617 USER MOD Single : A 49 SER OG : rot -150:sc= -0.123 USER MOD Single : A 51 THR OG1 : rot 73:sc= -7.27! USER MOD Single : A 57 GLN : amide:sc= -0.0422 K(o=-0.042,f=-2.7!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot -156:sc= -0.46 USER MOD Single : A 69 TYR OH : rot 153:sc= -4.15! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 155:sc= -2.07! USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00928) USER MOD Single : A 84 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.3!) USER MOD Single : A 85 TYR OH : rot 108:sc= -1.07 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.394 K(o=-0.39,f=-2.3!) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0183) USER MOD Single : A 101 TYR OH : rot 130:sc= -4.71! USER MOD Single : A 105 HIS :FLIP no HD1:sc= -2.98 F(o=-5.9!,f=-3) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 127 THR OG1 : rot 79:sc= 0.39 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -10.341 10.272 2.828 1.00 0.00 N ATOM 21 CA ARG A 2 -9.459 9.497 3.697 1.00 0.00 C ATOM 22 C ARG A 2 -8.963 8.234 3.000 1.00 0.00 C ATOM 23 O ARG A 2 -9.625 7.698 2.112 1.00 0.00 O ATOM 24 CB ARG A 2 -10.175 9.126 4.998 1.00 0.00 C ATOM 25 CG ARG A 2 -10.929 10.284 5.632 1.00 0.00 C ATOM 26 CD ARG A 2 -12.136 9.798 6.419 1.00 0.00 C ATOM 27 NE ARG A 2 -13.201 9.316 5.543 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.440 9.059 5.956 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.774 9.235 7.229 1.00 0.00 N ATOM 30 NH2 ARG A 2 -15.350 8.626 5.093 1.00 0.00 N ATOM 0 HA ARG A 2 -8.596 10.121 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.875 8.314 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.442 8.748 5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.261 10.837 6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.254 10.977 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.831 8.998 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.516 10.610 7.039 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.983 9.168 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.079 9.569 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.725 9.036 7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.100 8.490 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.300 8.429 5.409 1.00 0.00 H new ATOM 44 N ILE A 3 -7.792 7.765 3.418 1.00 0.00 N ATOM 45 CA ILE A 3 -7.192 6.564 2.850 1.00 0.00 C ATOM 46 C ILE A 3 -7.994 5.326 3.232 1.00 0.00 C ATOM 47 O ILE A 3 -8.676 5.311 4.257 1.00 0.00 O ATOM 48 CB ILE A 3 -5.733 6.411 3.326 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.036 5.241 2.641 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.679 6.231 4.834 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.531 5.387 2.654 1.00 0.00 C ATOM 0 H ILE A 3 -7.237 8.202 4.153 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.201 6.664 1.765 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.206 7.326 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.314 4.312 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.383 5.166 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.641 6.125 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.120 7.101 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.237 5.338 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.078 4.530 2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.250 6.302 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.179 5.435 3.684 1.00 0.00 H new ATOM 63 N TYR A 4 -7.924 4.293 2.399 1.00 0.00 N ATOM 64 CA TYR A 4 -8.665 3.064 2.657 1.00 0.00 C ATOM 65 C TYR A 4 -7.740 1.859 2.766 1.00 0.00 C ATOM 66 O TYR A 4 -7.833 1.088 3.721 1.00 0.00 O ATOM 67 CB TYR A 4 -9.700 2.832 1.558 1.00 0.00 C ATOM 68 CG TYR A 4 -10.771 3.897 1.512 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.429 4.298 2.668 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.121 4.504 0.314 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.406 5.275 2.629 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.096 5.481 0.266 1.00 0.00 C ATOM 73 CZ TYR A 4 -12.737 5.863 1.426 1.00 0.00 C ATOM 74 OH TYR A 4 -13.709 6.836 1.384 1.00 0.00 O ATOM 0 H TYR A 4 -7.366 4.282 1.545 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.173 3.180 3.614 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.194 2.794 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -10.170 1.860 1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.173 3.839 3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.622 4.207 -0.597 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.908 5.577 3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.355 5.943 -0.675 1.00 0.00 H new ATOM 0 HH TYR A 4 -13.820 7.147 0.462 1.00 0.00 H new ATOM 84 N TYR A 5 -6.855 1.683 1.789 1.00 0.00 N ATOM 85 CA TYR A 5 -5.940 0.547 1.809 1.00 0.00 C ATOM 86 C TYR A 5 -4.496 0.966 1.587 1.00 0.00 C ATOM 87 O TYR A 5 -4.207 1.995 0.977 1.00 0.00 O ATOM 88 CB TYR A 5 -6.343 -0.491 0.754 1.00 0.00 C ATOM 89 CG TYR A 5 -5.396 -1.679 0.643 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.116 -1.540 0.108 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.786 -2.945 1.064 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.261 -2.617 -0.001 1.00 0.00 C ATOM 93 CE2 TYR A 5 -4.933 -4.030 0.956 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.674 -3.858 0.423 1.00 0.00 C ATOM 95 OH TYR A 5 -2.826 -4.935 0.313 1.00 0.00 O ATOM 0 H TYR A 5 -6.752 2.302 0.985 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.010 0.104 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.342 -0.859 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.404 0.001 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.787 -0.568 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.772 -3.085 1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.273 -2.486 -0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.253 -5.007 1.288 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.947 -4.629 0.006 1.00 0.00 H new ATOM 105 N ILE A 6 -3.600 0.123 2.075 1.00 0.00 N ATOM 106 CA ILE A 6 -2.174 0.330 1.941 1.00 0.00 C ATOM 107 C ILE A 6 -1.476 -1.015 2.069 1.00 0.00 C ATOM 108 O ILE A 6 -2.082 -1.987 2.522 1.00 0.00 O ATOM 109 CB ILE A 6 -1.660 1.336 3.000 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.824 2.761 2.460 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.217 1.064 3.403 1.00 0.00 C ATOM 112 CD1 ILE A 6 -1.062 3.820 3.233 1.00 0.00 C ATOM 0 H ILE A 6 -3.848 -0.729 2.578 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.953 0.759 0.964 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.256 1.217 3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.496 2.782 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.883 3.018 2.465 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.097 1.796 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.140 0.062 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.426 1.139 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.236 4.796 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.405 3.833 4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.004 3.593 3.207 1.00 0.00 H new ATOM 124 N GLY A 7 -0.220 -1.083 1.667 1.00 0.00 N ATOM 125 CA GLY A 7 0.494 -2.337 1.760 1.00 0.00 C ATOM 126 C GLY A 7 1.685 -2.422 0.835 1.00 0.00 C ATOM 127 O GLY A 7 2.246 -1.405 0.422 1.00 0.00 O ATOM 0 H GLY A 7 0.314 -0.304 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.831 -2.479 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.191 -3.154 1.533 1.00 0.00 H new ATOM 131 N VAL A 8 2.077 -3.648 0.526 1.00 0.00 N ATOM 132 CA VAL A 8 3.218 -3.893 -0.337 1.00 0.00 C ATOM 133 C VAL A 8 3.022 -5.170 -1.142 1.00 0.00 C ATOM 134 O VAL A 8 2.359 -6.101 -0.688 1.00 0.00 O ATOM 135 CB VAL A 8 4.513 -4.022 0.482 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.683 -3.427 -0.281 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.372 -3.357 1.846 1.00 0.00 C ATOM 0 H VAL A 8 1.617 -4.493 0.864 1.00 0.00 H new ATOM 0 HA VAL A 8 3.300 -3.042 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 8 4.704 -5.083 0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.592 -3.526 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.807 -3.955 -1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.491 -2.372 -0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.304 -3.465 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.149 -2.298 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.562 -3.832 2.400 1.00 0.00 H new ATOM 147 N PHE A 9 3.596 -5.209 -2.340 1.00 0.00 N ATOM 148 CA PHE A 9 3.473 -6.379 -3.201 1.00 0.00 C ATOM 149 C PHE A 9 4.651 -6.485 -4.159 1.00 0.00 C ATOM 150 O PHE A 9 5.060 -5.499 -4.770 1.00 0.00 O ATOM 151 CB PHE A 9 2.172 -6.334 -4.007 1.00 0.00 C ATOM 152 CG PHE A 9 1.006 -5.713 -3.287 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.026 -4.379 -2.912 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.121 -6.464 -3.007 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.055 -3.812 -2.266 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.205 -5.899 -2.366 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.169 -4.573 -1.996 1.00 0.00 C ATOM 0 H PHE A 9 4.148 -4.448 -2.735 1.00 0.00 H new ATOM 0 HA PHE A 9 3.463 -7.255 -2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.350 -5.778 -4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.904 -7.351 -4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.896 -3.776 -3.127 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.153 -7.505 -3.293 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.026 -2.773 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.080 -6.496 -2.155 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.016 -4.130 -1.493 1.00 0.00 H new ATOM 167 N ARG A 10 5.180 -7.692 -4.296 1.00 0.00 N ATOM 168 CA ARG A 10 6.302 -7.935 -5.192 1.00 0.00 C ATOM 169 C ARG A 10 5.797 -8.212 -6.602 1.00 0.00 C ATOM 170 O ARG A 10 4.908 -9.038 -6.801 1.00 0.00 O ATOM 171 CB ARG A 10 7.144 -9.112 -4.686 1.00 0.00 C ATOM 172 CG ARG A 10 8.031 -9.738 -5.753 1.00 0.00 C ATOM 173 CD ARG A 10 7.342 -10.906 -6.441 1.00 0.00 C ATOM 174 NE ARG A 10 7.620 -12.177 -5.777 1.00 0.00 N ATOM 175 CZ ARG A 10 7.043 -13.329 -6.111 1.00 0.00 C ATOM 176 NH1 ARG A 10 6.153 -13.373 -7.095 1.00 0.00 N ATOM 177 NH2 ARG A 10 7.354 -14.441 -5.458 1.00 0.00 N ATOM 0 H ARG A 10 4.850 -8.519 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 10 6.931 -7.045 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.770 -8.771 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.479 -9.877 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.297 -8.984 -6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.961 -10.080 -5.299 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.266 -10.733 -6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.671 -10.960 -7.479 1.00 0.00 H new ATOM 0 HE ARG A 10 8.296 -12.182 -5.013 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.908 -12.521 -7.600 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.714 -14.259 -7.346 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.036 -14.413 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.912 -15.324 -5.714 1.00 0.00 H new ATOM 191 N SER A 11 6.363 -7.517 -7.578 1.00 0.00 N ATOM 192 CA SER A 11 5.957 -7.700 -8.965 1.00 0.00 C ATOM 193 C SER A 11 6.187 -9.137 -9.414 1.00 0.00 C ATOM 194 O SER A 11 7.279 -9.499 -9.853 1.00 0.00 O ATOM 195 CB SER A 11 6.714 -6.745 -9.885 1.00 0.00 C ATOM 196 OG SER A 11 7.332 -5.704 -9.148 1.00 0.00 O ATOM 0 H SER A 11 7.100 -6.826 -7.438 1.00 0.00 H new ATOM 0 HA SER A 11 4.892 -7.478 -9.028 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.470 -7.297 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.027 -6.318 -10.615 1.00 0.00 H new ATOM 0 HG SER A 11 6.658 -5.242 -8.607 1.00 0.00 H new ATOM 202 N GLY A 12 5.146 -9.950 -9.300 1.00 0.00 N ATOM 203 CA GLY A 12 5.243 -11.343 -9.695 1.00 0.00 C ATOM 204 C GLY A 12 5.105 -11.532 -11.193 1.00 0.00 C ATOM 205 O GLY A 12 5.811 -10.893 -11.974 1.00 0.00 O ATOM 0 H GLY A 12 4.234 -9.670 -8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.202 -11.744 -9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.468 -11.916 -9.187 1.00 0.00 H new ATOM 209 N GLY A 13 4.193 -12.411 -11.596 1.00 0.00 N ATOM 210 CA GLY A 13 3.981 -12.666 -13.009 1.00 0.00 C ATOM 211 C GLY A 13 2.650 -12.129 -13.500 1.00 0.00 C ATOM 212 O GLY A 13 2.596 -11.090 -14.158 1.00 0.00 O ATOM 0 H GLY A 13 3.597 -12.951 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.788 -12.210 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.027 -13.739 -13.193 1.00 0.00 H new ATOM 216 N GLU A 14 1.573 -12.839 -13.176 1.00 0.00 N ATOM 217 CA GLU A 14 0.235 -12.428 -13.587 1.00 0.00 C ATOM 218 C GLU A 14 -0.326 -11.371 -12.640 1.00 0.00 C ATOM 219 O GLU A 14 -1.195 -10.585 -13.018 1.00 0.00 O ATOM 220 CB GLU A 14 -0.700 -13.637 -13.632 1.00 0.00 C ATOM 221 CG GLU A 14 -1.841 -13.488 -14.623 1.00 0.00 C ATOM 222 CD GLU A 14 -2.065 -14.738 -15.450 1.00 0.00 C ATOM 223 OE1 GLU A 14 -1.066 -15.384 -15.833 1.00 0.00 O ATOM 224 OE2 GLU A 14 -3.239 -15.074 -15.714 1.00 0.00 O ATOM 0 H GLU A 14 1.601 -13.701 -12.631 1.00 0.00 H new ATOM 0 HA GLU A 14 0.306 -11.994 -14.584 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.121 -14.524 -13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.113 -13.803 -12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.756 -13.246 -14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.632 -12.650 -15.288 1.00 0.00 H new ATOM 231 N LYS A 15 0.177 -11.357 -11.409 1.00 0.00 N ATOM 232 CA LYS A 15 -0.273 -10.397 -10.410 1.00 0.00 C ATOM 233 C LYS A 15 0.879 -9.988 -9.499 1.00 0.00 C ATOM 234 O LYS A 15 2.028 -10.365 -9.731 1.00 0.00 O ATOM 235 CB LYS A 15 -1.415 -10.990 -9.580 1.00 0.00 C ATOM 236 CG LYS A 15 -1.055 -12.299 -8.898 1.00 0.00 C ATOM 237 CD LYS A 15 -1.508 -13.496 -9.717 1.00 0.00 C ATOM 238 CE LYS A 15 -2.827 -14.053 -9.208 1.00 0.00 C ATOM 239 NZ LYS A 15 -2.856 -15.541 -9.250 1.00 0.00 N ATOM 0 H LYS A 15 0.897 -12.001 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.637 -9.509 -10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.716 -10.266 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.277 -11.152 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.023 -12.347 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.517 -12.336 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.614 -13.204 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.745 -14.273 -9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.993 -13.716 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.645 -13.657 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.773 -15.881 -8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.724 -15.863 -10.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.092 -15.920 -8.655 1.00 0.00 H new ATOM 253 N ALA A 16 0.567 -9.213 -8.468 1.00 0.00 N ATOM 254 CA ALA A 16 1.579 -8.749 -7.530 1.00 0.00 C ATOM 255 C ALA A 16 1.628 -9.631 -6.290 1.00 0.00 C ATOM 256 O ALA A 16 0.647 -9.743 -5.555 1.00 0.00 O ATOM 257 CB ALA A 16 1.309 -7.305 -7.140 1.00 0.00 C ATOM 0 H ALA A 16 -0.379 -8.893 -8.261 1.00 0.00 H new ATOM 0 HA ALA A 16 2.549 -8.809 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.072 -6.969 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.333 -6.677 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.328 -7.232 -6.671 1.00 0.00 H new ATOM 263 N LEU A 17 2.781 -10.253 -6.057 1.00 0.00 N ATOM 264 CA LEU A 17 2.957 -11.118 -4.899 1.00 0.00 C ATOM 265 C LEU A 17 2.785 -10.320 -3.611 1.00 0.00 C ATOM 266 O LEU A 17 3.746 -9.761 -3.083 1.00 0.00 O ATOM 267 CB LEU A 17 4.339 -11.781 -4.935 1.00 0.00 C ATOM 268 CG LEU A 17 4.641 -12.766 -3.796 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.203 -12.033 -2.587 1.00 0.00 C ATOM 270 CD2 LEU A 17 3.398 -13.557 -3.409 1.00 0.00 C ATOM 0 H LEU A 17 3.604 -10.173 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 17 2.196 -11.898 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.443 -12.309 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.097 -10.998 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 17 5.392 -13.471 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.410 -12.749 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.125 -11.524 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.477 -11.300 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.642 -14.246 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.619 -12.871 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.042 -14.121 -4.271 1.00 0.00 H new ATOM 282 N GLU A 18 1.547 -10.264 -3.118 1.00 0.00 N ATOM 283 CA GLU A 18 1.222 -9.525 -1.896 1.00 0.00 C ATOM 284 C GLU A 18 2.312 -9.679 -0.838 1.00 0.00 C ATOM 285 O GLU A 18 2.535 -10.771 -0.318 1.00 0.00 O ATOM 286 CB GLU A 18 -0.117 -10.003 -1.334 1.00 0.00 C ATOM 287 CG GLU A 18 -0.191 -11.509 -1.140 1.00 0.00 C ATOM 288 CD GLU A 18 -1.520 -12.089 -1.585 1.00 0.00 C ATOM 289 OE1 GLU A 18 -2.477 -12.061 -0.784 1.00 0.00 O ATOM 290 OE2 GLU A 18 -1.602 -12.571 -2.734 1.00 0.00 O ATOM 0 H GLU A 18 0.747 -10.726 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 18 1.153 -8.469 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.296 -9.512 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.916 -9.692 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.614 -11.984 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.030 -11.745 -0.088 1.00 0.00 H new ATOM 297 N LEU A 19 2.987 -8.576 -0.529 1.00 0.00 N ATOM 298 CA LEU A 19 4.055 -8.582 0.463 1.00 0.00 C ATOM 299 C LEU A 19 3.524 -8.239 1.850 1.00 0.00 C ATOM 300 O LEU A 19 3.996 -8.769 2.856 1.00 0.00 O ATOM 301 CB LEU A 19 5.161 -7.612 0.055 1.00 0.00 C ATOM 302 CG LEU A 19 5.998 -8.049 -1.153 1.00 0.00 C ATOM 303 CD1 LEU A 19 7.266 -7.224 -1.245 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.339 -9.532 -1.084 1.00 0.00 C ATOM 0 H LEU A 19 2.812 -7.665 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 19 4.470 -9.589 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.711 -6.644 -0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.827 -7.467 0.905 1.00 0.00 H new ATOM 0 HG LEU A 19 5.401 -7.882 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.848 -7.547 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.008 -6.171 -1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.855 -7.360 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.933 -9.810 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.909 -9.732 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.419 -10.117 -1.071 1.00 0.00 H new ATOM 316 N SER A 20 2.532 -7.367 1.901 1.00 0.00 N ATOM 317 CA SER A 20 1.930 -6.978 3.166 1.00 0.00 C ATOM 318 C SER A 20 0.722 -6.076 2.922 1.00 0.00 C ATOM 319 O SER A 20 0.856 -4.974 2.394 1.00 0.00 O ATOM 320 CB SER A 20 2.957 -6.304 4.074 1.00 0.00 C ATOM 321 OG SER A 20 3.923 -5.595 3.321 1.00 0.00 O ATOM 0 H SER A 20 2.126 -6.915 1.082 1.00 0.00 H new ATOM 0 HA SER A 20 1.583 -7.876 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.450 -5.620 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.452 -7.056 4.688 1.00 0.00 H new ATOM 0 HG SER A 20 4.566 -5.173 3.928 1.00 0.00 H new ATOM 327 N GLU A 21 -0.465 -6.574 3.266 1.00 0.00 N ATOM 328 CA GLU A 21 -1.701 -5.833 3.028 1.00 0.00 C ATOM 329 C GLU A 21 -2.348 -5.285 4.302 1.00 0.00 C ATOM 330 O GLU A 21 -2.665 -6.032 5.227 1.00 0.00 O ATOM 331 CB GLU A 21 -2.705 -6.737 2.311 1.00 0.00 C ATOM 332 CG GLU A 21 -2.123 -7.457 1.105 1.00 0.00 C ATOM 333 CD GLU A 21 -2.006 -8.953 1.321 1.00 0.00 C ATOM 334 OE1 GLU A 21 -1.494 -9.362 2.385 1.00 0.00 O ATOM 335 OE2 GLU A 21 -2.427 -9.717 0.427 1.00 0.00 O ATOM 0 H GLU A 21 -0.596 -7.484 3.709 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.430 -4.973 2.416 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.084 -7.476 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.556 -6.137 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.751 -7.267 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.138 -7.047 0.882 1.00 0.00 H new ATOM 342 N VAL A 22 -2.581 -3.974 4.306 1.00 0.00 N ATOM 343 CA VAL A 22 -3.236 -3.296 5.414 1.00 0.00 C ATOM 344 C VAL A 22 -4.504 -2.610 4.912 1.00 0.00 C ATOM 345 O VAL A 22 -4.501 -1.998 3.844 1.00 0.00 O ATOM 346 CB VAL A 22 -2.310 -2.255 6.069 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.910 -1.171 5.084 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.970 -1.647 7.296 1.00 0.00 C ATOM 0 H VAL A 22 -2.319 -3.355 3.539 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.486 -4.043 6.167 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.402 -2.770 6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.256 -0.453 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.383 -1.621 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.803 -0.660 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.299 -0.914 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.899 -1.158 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.185 -2.433 8.020 1.00 0.00 H new ATOM 358 N LYS A 23 -5.597 -2.735 5.659 1.00 0.00 N ATOM 359 CA LYS A 23 -6.862 -2.138 5.241 1.00 0.00 C ATOM 360 C LYS A 23 -7.395 -1.132 6.245 1.00 0.00 C ATOM 361 O LYS A 23 -6.998 -1.113 7.410 1.00 0.00 O ATOM 362 CB LYS A 23 -7.923 -3.218 5.038 1.00 0.00 C ATOM 363 CG LYS A 23 -7.462 -4.380 4.174 1.00 0.00 C ATOM 364 CD LYS A 23 -8.569 -5.404 3.981 1.00 0.00 C ATOM 365 CE LYS A 23 -8.279 -6.324 2.807 1.00 0.00 C ATOM 366 NZ LYS A 23 -7.405 -7.466 3.195 1.00 0.00 N ATOM 0 H LYS A 23 -5.634 -3.238 6.546 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.656 -1.618 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.228 -3.601 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.804 -2.767 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.137 -4.006 3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.599 -4.859 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.681 -5.996 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.516 -4.890 3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.218 -6.706 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.800 -5.755 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.232 -8.068 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.499 -7.103 3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.873 -8.025 3.937 1.00 0.00 H new ATOM 380 N ASP A 24 -8.339 -0.329 5.774 1.00 0.00 N ATOM 381 CA ASP A 24 -8.998 0.660 6.603 1.00 0.00 C ATOM 382 C ASP A 24 -10.491 0.638 6.301 1.00 0.00 C ATOM 383 O ASP A 24 -10.930 1.082 5.241 1.00 0.00 O ATOM 384 CB ASP A 24 -8.424 2.054 6.338 1.00 0.00 C ATOM 385 CG ASP A 24 -8.092 2.796 7.619 1.00 0.00 C ATOM 386 OD1 ASP A 24 -9.034 3.204 8.330 1.00 0.00 O ATOM 387 OD2 ASP A 24 -6.890 2.968 7.911 1.00 0.00 O ATOM 0 H ASP A 24 -8.666 -0.348 4.808 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.831 0.422 7.653 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.524 1.964 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.142 2.636 5.760 1.00 0.00 H new ATOM 392 N LEU A 25 -11.260 0.102 7.235 1.00 0.00 N ATOM 393 CA LEU A 25 -12.703 -0.003 7.075 1.00 0.00 C ATOM 394 C LEU A 25 -13.423 1.017 7.950 1.00 0.00 C ATOM 395 O LEU A 25 -14.060 0.666 8.942 1.00 0.00 O ATOM 396 CB LEU A 25 -13.164 -1.419 7.417 1.00 0.00 C ATOM 397 CG LEU A 25 -12.618 -2.510 6.496 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.983 -2.219 5.048 1.00 0.00 C ATOM 399 CD2 LEU A 25 -11.110 -2.635 6.649 1.00 0.00 C ATOM 0 H LEU A 25 -10.907 -0.269 8.117 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.952 0.210 6.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.867 -1.645 8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.253 -1.449 7.387 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.073 -3.458 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.586 -3.006 4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.068 -2.181 4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.557 -1.260 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.741 -3.417 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.638 -1.687 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.869 -2.891 7.681 1.00 0.00 H new ATOM 411 N SER A 26 -13.303 2.285 7.576 1.00 0.00 N ATOM 412 CA SER A 26 -13.927 3.374 8.323 1.00 0.00 C ATOM 413 C SER A 26 -15.451 3.284 8.284 1.00 0.00 C ATOM 414 O SER A 26 -16.078 2.833 9.243 1.00 0.00 O ATOM 415 CB SER A 26 -13.468 4.724 7.768 1.00 0.00 C ATOM 416 OG SER A 26 -14.246 5.783 8.298 1.00 0.00 O ATOM 0 H SER A 26 -12.777 2.587 6.756 1.00 0.00 H new ATOM 0 HA SER A 26 -13.614 3.284 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.417 4.883 8.011 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.546 4.720 6.681 1.00 0.00 H new ATOM 0 HG SER A 26 -13.932 6.635 7.930 1.00 0.00 H new ATOM 422 N GLN A 27 -16.045 3.724 7.177 1.00 0.00 N ATOM 423 CA GLN A 27 -17.499 3.699 7.027 1.00 0.00 C ATOM 424 C GLN A 27 -17.986 2.332 6.551 1.00 0.00 C ATOM 425 O GLN A 27 -19.168 2.007 6.664 1.00 0.00 O ATOM 426 CB GLN A 27 -17.944 4.781 6.042 1.00 0.00 C ATOM 427 CG GLN A 27 -17.581 6.189 6.484 1.00 0.00 C ATOM 428 CD GLN A 27 -18.677 7.193 6.192 1.00 0.00 C ATOM 429 OE1 GLN A 27 -19.063 7.392 5.040 1.00 0.00 O ATOM 430 NE2 GLN A 27 -19.187 7.835 7.238 1.00 0.00 N ATOM 0 H GLN A 27 -15.544 4.101 6.373 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.940 3.894 8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -17.490 4.585 5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -19.024 4.718 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.371 6.187 7.554 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.666 6.499 5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -18.838 7.640 8.176 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.928 8.523 7.103 1.00 0.00 H new ATOM 439 N PHE A 28 -17.066 1.540 6.019 1.00 0.00 N ATOM 440 CA PHE A 28 -17.384 0.207 5.519 1.00 0.00 C ATOM 441 C PHE A 28 -17.864 -0.698 6.653 1.00 0.00 C ATOM 442 O PHE A 28 -17.086 -1.079 7.528 1.00 0.00 O ATOM 443 CB PHE A 28 -16.156 -0.396 4.834 1.00 0.00 C ATOM 444 CG PHE A 28 -15.408 0.602 3.994 1.00 0.00 C ATOM 445 CD1 PHE A 28 -14.445 1.418 4.563 1.00 0.00 C ATOM 446 CD2 PHE A 28 -15.679 0.735 2.643 1.00 0.00 C ATOM 447 CE1 PHE A 28 -13.765 2.345 3.804 1.00 0.00 C ATOM 448 CE2 PHE A 28 -15.002 1.664 1.877 1.00 0.00 C ATOM 449 CZ PHE A 28 -14.043 2.469 2.461 1.00 0.00 C ATOM 0 H PHE A 28 -16.084 1.799 5.921 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.191 0.290 4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -15.485 -0.801 5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -16.469 -1.230 4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -14.224 1.327 5.616 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.427 0.106 2.183 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.015 2.973 4.261 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.222 1.761 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.511 3.195 1.864 1.00 0.00 H new ATOM 459 N GLY A 29 -19.154 -1.026 6.637 1.00 0.00 N ATOM 460 CA GLY A 29 -19.724 -1.872 7.671 1.00 0.00 C ATOM 461 C GLY A 29 -19.074 -3.240 7.744 1.00 0.00 C ATOM 462 O GLY A 29 -17.912 -3.404 7.372 1.00 0.00 O ATOM 0 H GLY A 29 -19.816 -0.720 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -19.622 -1.376 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.791 -1.993 7.486 1.00 0.00 H new ATOM 466 N PHE A 30 -19.828 -4.226 8.227 1.00 0.00 N ATOM 467 CA PHE A 30 -19.323 -5.593 8.352 1.00 0.00 C ATOM 468 C PHE A 30 -19.390 -6.314 7.010 1.00 0.00 C ATOM 469 O PHE A 30 -18.422 -6.940 6.578 1.00 0.00 O ATOM 470 CB PHE A 30 -20.119 -6.380 9.402 1.00 0.00 C ATOM 471 CG PHE A 30 -20.836 -5.519 10.405 1.00 0.00 C ATOM 472 CD1 PHE A 30 -20.179 -5.042 11.528 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.169 -5.187 10.221 1.00 0.00 C ATOM 474 CE1 PHE A 30 -20.838 -4.249 12.448 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.833 -4.394 11.138 1.00 0.00 C ATOM 476 CZ PHE A 30 -22.166 -3.925 12.253 1.00 0.00 C ATOM 0 H PHE A 30 -20.792 -4.104 8.539 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.283 -5.535 8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.849 -7.009 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.439 -7.047 9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -19.140 -5.293 11.686 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.695 -5.552 9.351 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.315 -3.883 13.319 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.872 -4.142 10.983 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.683 -3.306 12.971 1.00 0.00 H new ATOM 486 N PHE A 31 -20.538 -6.216 6.354 1.00 0.00 N ATOM 487 CA PHE A 31 -20.729 -6.850 5.056 1.00 0.00 C ATOM 488 C PHE A 31 -20.007 -6.064 3.965 1.00 0.00 C ATOM 489 O PHE A 31 -19.740 -6.586 2.883 1.00 0.00 O ATOM 490 CB PHE A 31 -22.220 -6.958 4.724 1.00 0.00 C ATOM 491 CG PHE A 31 -23.004 -5.716 5.040 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.977 -4.628 4.181 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.768 -5.636 6.193 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.699 -3.483 4.469 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.490 -4.496 6.485 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.456 -3.418 5.622 1.00 0.00 C ATOM 0 H PHE A 31 -21.350 -5.704 6.698 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.307 -7.854 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.331 -7.186 3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.646 -7.795 5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.387 -4.675 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.799 -6.476 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.670 -2.641 3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -25.081 -4.447 7.388 1.00 0.00 H new ATOM 0 HZ PHE A 31 -25.021 -2.526 5.849 1.00 0.00 H new ATOM 506 N GLU A 32 -19.691 -4.805 4.261 1.00 0.00 N ATOM 507 CA GLU A 32 -18.997 -3.947 3.311 1.00 0.00 C ATOM 508 C GLU A 32 -17.489 -4.161 3.388 1.00 0.00 C ATOM 509 O GLU A 32 -16.815 -4.251 2.365 1.00 0.00 O ATOM 510 CB GLU A 32 -19.331 -2.479 3.581 1.00 0.00 C ATOM 511 CG GLU A 32 -19.297 -1.607 2.336 1.00 0.00 C ATOM 512 CD GLU A 32 -20.106 -0.335 2.494 1.00 0.00 C ATOM 513 OE1 GLU A 32 -21.343 -0.431 2.635 1.00 0.00 O ATOM 514 OE2 GLU A 32 -19.501 0.759 2.476 1.00 0.00 O ATOM 0 H GLU A 32 -19.906 -4.359 5.153 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.332 -4.210 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.322 -2.417 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.625 -2.083 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.263 -1.350 2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.681 -2.175 1.488 1.00 0.00 H new ATOM 521 N ARG A 33 -16.962 -4.242 4.608 1.00 0.00 N ATOM 522 CA ARG A 33 -15.529 -4.446 4.809 1.00 0.00 C ATOM 523 C ARG A 33 -15.034 -5.656 4.024 1.00 0.00 C ATOM 524 O ARG A 33 -13.917 -5.660 3.507 1.00 0.00 O ATOM 525 CB ARG A 33 -15.214 -4.631 6.294 1.00 0.00 C ATOM 526 CG ARG A 33 -16.020 -5.732 6.959 1.00 0.00 C ATOM 527 CD ARG A 33 -15.396 -6.163 8.277 1.00 0.00 C ATOM 528 NE ARG A 33 -14.701 -7.444 8.161 1.00 0.00 N ATOM 529 CZ ARG A 33 -14.359 -8.198 9.204 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.645 -7.804 10.439 1.00 0.00 N ATOM 531 NH2 ARG A 33 -13.729 -9.349 9.011 1.00 0.00 N ATOM 0 H ARG A 33 -17.503 -4.170 5.469 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.013 -3.558 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.153 -4.852 6.406 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.400 -3.692 6.815 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.038 -5.384 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -16.087 -6.590 6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.695 -5.399 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.173 -6.240 9.038 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.464 -7.780 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.129 -6.920 10.593 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.381 -8.386 11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.507 -9.656 8.064 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.467 -9.927 9.809 1.00 0.00 H new ATOM 545 N SER A 34 -15.875 -6.680 3.942 1.00 0.00 N ATOM 546 CA SER A 34 -15.528 -7.898 3.222 1.00 0.00 C ATOM 547 C SER A 34 -15.395 -7.627 1.727 1.00 0.00 C ATOM 548 O SER A 34 -14.352 -7.895 1.127 1.00 0.00 O ATOM 549 CB SER A 34 -16.587 -8.973 3.466 1.00 0.00 C ATOM 550 OG SER A 34 -16.093 -10.261 3.145 1.00 0.00 O ATOM 0 H SER A 34 -16.803 -6.691 4.366 1.00 0.00 H new ATOM 0 HA SER A 34 -14.566 -8.252 3.594 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.898 -8.950 4.510 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.471 -8.759 2.865 1.00 0.00 H new ATOM 0 HG SER A 34 -16.790 -10.930 3.312 1.00 0.00 H new ATOM 556 N SER A 35 -16.458 -7.098 1.131 1.00 0.00 N ATOM 557 CA SER A 35 -16.461 -6.797 -0.296 1.00 0.00 C ATOM 558 C SER A 35 -15.421 -5.737 -0.642 1.00 0.00 C ATOM 559 O SER A 35 -14.596 -5.938 -1.533 1.00 0.00 O ATOM 560 CB SER A 35 -17.847 -6.330 -0.740 1.00 0.00 C ATOM 561 OG SER A 35 -18.525 -5.664 0.311 1.00 0.00 O ATOM 0 H SER A 35 -17.327 -6.869 1.613 1.00 0.00 H new ATOM 0 HA SER A 35 -16.204 -7.713 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.751 -5.662 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 -18.434 -7.187 -1.069 1.00 0.00 H new ATOM 0 HG SER A 35 -17.882 -5.143 0.836 1.00 0.00 H new ATOM 567 N VAL A 36 -15.459 -4.606 0.060 1.00 0.00 N ATOM 568 CA VAL A 36 -14.508 -3.530 -0.199 1.00 0.00 C ATOM 569 C VAL A 36 -13.079 -4.025 -0.043 1.00 0.00 C ATOM 570 O VAL A 36 -12.233 -3.775 -0.899 1.00 0.00 O ATOM 571 CB VAL A 36 -14.711 -2.310 0.720 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.004 -1.100 0.131 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.188 -2.018 0.936 1.00 0.00 C ATOM 0 H VAL A 36 -16.130 -4.413 0.804 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.691 -3.212 -1.225 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.278 -2.537 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.150 -0.240 0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.938 -1.310 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.416 -0.882 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.296 -1.152 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.662 -1.811 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.666 -2.882 1.398 1.00 0.00 H new ATOM 583 N GLY A 37 -12.813 -4.746 1.044 1.00 0.00 N ATOM 584 CA GLY A 37 -11.477 -5.272 1.258 1.00 0.00 C ATOM 585 C GLY A 37 -10.989 -6.022 0.041 1.00 0.00 C ATOM 586 O GLY A 37 -9.865 -5.821 -0.418 1.00 0.00 O ATOM 0 H GLY A 37 -13.491 -4.973 1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.792 -4.455 1.484 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.478 -5.936 2.123 1.00 0.00 H new ATOM 590 N GLN A 38 -11.861 -6.864 -0.502 1.00 0.00 N ATOM 591 CA GLN A 38 -11.540 -7.622 -1.699 1.00 0.00 C ATOM 592 C GLN A 38 -11.263 -6.655 -2.847 1.00 0.00 C ATOM 593 O GLN A 38 -10.462 -6.938 -3.739 1.00 0.00 O ATOM 594 CB GLN A 38 -12.702 -8.559 -2.053 1.00 0.00 C ATOM 595 CG GLN A 38 -12.618 -9.154 -3.450 1.00 0.00 C ATOM 596 CD GLN A 38 -13.473 -8.406 -4.454 1.00 0.00 C ATOM 597 OE1 GLN A 38 -14.385 -7.669 -4.081 1.00 0.00 O ATOM 598 NE2 GLN A 38 -13.182 -8.595 -5.735 1.00 0.00 N ATOM 0 H GLN A 38 -12.795 -7.037 -0.130 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.652 -8.229 -1.522 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.735 -9.370 -1.326 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -13.639 -8.010 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.580 -9.144 -3.783 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.932 -10.197 -3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.416 -9.216 -5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.724 -8.120 -6.457 1.00 0.00 H new ATOM 607 N PHE A 39 -11.933 -5.504 -2.801 1.00 0.00 N ATOM 608 CA PHE A 39 -11.770 -4.475 -3.817 1.00 0.00 C ATOM 609 C PHE A 39 -10.413 -3.793 -3.687 1.00 0.00 C ATOM 610 O PHE A 39 -9.697 -3.624 -4.674 1.00 0.00 O ATOM 611 CB PHE A 39 -12.885 -3.433 -3.704 1.00 0.00 C ATOM 612 CG PHE A 39 -12.901 -2.448 -4.839 1.00 0.00 C ATOM 613 CD1 PHE A 39 -11.945 -1.448 -4.918 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.871 -2.524 -5.826 1.00 0.00 C ATOM 615 CE1 PHE A 39 -11.957 -0.540 -5.960 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.887 -1.620 -6.871 1.00 0.00 C ATOM 617 CZ PHE A 39 -12.929 -0.626 -6.938 1.00 0.00 C ATOM 0 H PHE A 39 -12.597 -5.264 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.827 -4.955 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.847 -3.944 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.772 -2.892 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.182 -1.377 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -14.623 -3.298 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.207 0.236 -6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -14.647 -1.690 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 39 -12.940 0.082 -7.753 1.00 0.00 H new ATOM 627 N MET A 40 -10.070 -3.391 -2.467 1.00 0.00 N ATOM 628 CA MET A 40 -8.803 -2.715 -2.223 1.00 0.00 C ATOM 629 C MET A 40 -7.614 -3.620 -2.526 1.00 0.00 C ATOM 630 O MET A 40 -6.660 -3.200 -3.182 1.00 0.00 O ATOM 631 CB MET A 40 -8.713 -2.192 -0.789 1.00 0.00 C ATOM 632 CG MET A 40 -9.172 -3.176 0.270 1.00 0.00 C ATOM 633 SD MET A 40 -9.304 -2.413 1.900 1.00 0.00 S ATOM 634 CE MET A 40 -10.734 -1.361 1.662 1.00 0.00 C ATOM 0 H MET A 40 -10.649 -3.521 -1.637 1.00 0.00 H new ATOM 0 HA MET A 40 -8.766 -1.864 -2.903 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.680 -1.911 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 40 -9.312 -1.285 -0.708 1.00 0.00 H new ATOM 0 HG2 MET A 40 -10.140 -3.589 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 40 -8.471 -4.010 0.317 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.577 -0.412 2.174 1.00 0.00 H new ATOM 0 HE2 MET A 40 -10.879 -1.179 0.597 1.00 0.00 H new ATOM 0 HE3 MET A 40 -11.618 -1.851 2.070 1.00 0.00 H new ATOM 644 N THR A 41 -7.667 -4.858 -2.048 1.00 0.00 N ATOM 645 CA THR A 41 -6.581 -5.803 -2.277 1.00 0.00 C ATOM 646 C THR A 41 -6.393 -6.068 -3.766 1.00 0.00 C ATOM 647 O THR A 41 -5.332 -5.800 -4.318 1.00 0.00 O ATOM 648 CB THR A 41 -6.856 -7.117 -1.553 1.00 0.00 C ATOM 649 OG1 THR A 41 -7.640 -6.901 -0.394 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.595 -7.842 -1.129 1.00 0.00 C ATOM 0 H THR A 41 -8.445 -5.229 -1.503 1.00 0.00 H new ATOM 0 HA THR A 41 -5.666 -5.361 -1.883 1.00 0.00 H new ATOM 0 HB THR A 41 -7.387 -7.737 -2.275 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.588 -6.875 -0.641 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.862 -8.768 -0.620 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.994 -8.072 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.021 -7.209 -0.453 1.00 0.00 H new ATOM 658 N PHE A 42 -7.432 -6.595 -4.412 1.00 0.00 N ATOM 659 CA PHE A 42 -7.380 -6.893 -5.842 1.00 0.00 C ATOM 660 C PHE A 42 -6.785 -5.720 -6.619 1.00 0.00 C ATOM 661 O PHE A 42 -5.995 -5.906 -7.545 1.00 0.00 O ATOM 662 CB PHE A 42 -8.778 -7.214 -6.371 1.00 0.00 C ATOM 663 CG PHE A 42 -8.778 -8.217 -7.489 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.662 -7.805 -8.806 1.00 0.00 C ATOM 665 CD2 PHE A 42 -8.892 -9.572 -7.220 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.660 -8.726 -9.837 1.00 0.00 C ATOM 667 CE2 PHE A 42 -8.892 -10.498 -8.246 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.775 -10.075 -9.556 1.00 0.00 C ATOM 0 H PHE A 42 -8.321 -6.825 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.739 -7.764 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.390 -7.594 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.247 -6.293 -6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.572 -6.752 -9.030 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.982 -9.908 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.569 -8.392 -10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.983 -11.551 -8.024 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.773 -10.797 -10.359 1.00 0.00 H new ATOM 678 N PHE A 43 -7.166 -4.514 -6.222 1.00 0.00 N ATOM 679 CA PHE A 43 -6.669 -3.305 -6.862 1.00 0.00 C ATOM 680 C PHE A 43 -5.215 -3.059 -6.480 1.00 0.00 C ATOM 681 O PHE A 43 -4.412 -2.640 -7.309 1.00 0.00 O ATOM 682 CB PHE A 43 -7.531 -2.104 -6.459 1.00 0.00 C ATOM 683 CG PHE A 43 -7.790 -1.127 -7.573 1.00 0.00 C ATOM 684 CD1 PHE A 43 -8.022 -1.567 -8.867 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.804 0.236 -7.322 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.260 -0.668 -9.888 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.042 1.141 -8.339 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.271 0.688 -9.624 1.00 0.00 C ATOM 0 H PHE A 43 -7.820 -4.347 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.726 -3.435 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.486 -2.468 -6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.042 -1.580 -5.638 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.017 -2.626 -9.079 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.627 0.595 -6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.437 -1.025 -10.892 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.049 2.200 -8.130 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.458 1.393 -10.421 1.00 0.00 H new ATOM 698 N ALA A 44 -4.886 -3.333 -5.220 1.00 0.00 N ATOM 699 CA ALA A 44 -3.526 -3.146 -4.720 1.00 0.00 C ATOM 700 C ALA A 44 -2.558 -4.130 -5.372 1.00 0.00 C ATOM 701 O ALA A 44 -1.426 -3.778 -5.721 1.00 0.00 O ATOM 702 CB ALA A 44 -3.510 -3.299 -3.209 1.00 0.00 C ATOM 0 H ALA A 44 -5.544 -3.686 -4.525 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.196 -2.140 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.494 -3.159 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.165 -2.552 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.859 -4.296 -2.941 1.00 0.00 H new ATOM 708 N GLU A 45 -3.019 -5.359 -5.552 1.00 0.00 N ATOM 709 CA GLU A 45 -2.211 -6.390 -6.181 1.00 0.00 C ATOM 710 C GLU A 45 -2.020 -6.054 -7.652 1.00 0.00 C ATOM 711 O GLU A 45 -0.963 -6.304 -8.232 1.00 0.00 O ATOM 712 CB GLU A 45 -2.887 -7.753 -6.028 1.00 0.00 C ATOM 713 CG GLU A 45 -4.261 -7.815 -6.665 1.00 0.00 C ATOM 714 CD GLU A 45 -4.802 -9.230 -6.757 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.098 -10.166 -6.321 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.930 -9.402 -7.265 1.00 0.00 O ATOM 0 H GLU A 45 -3.950 -5.666 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.236 -6.434 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.252 -8.518 -6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.974 -7.991 -4.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.953 -7.203 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.213 -7.383 -7.665 1.00 0.00 H new ATOM 723 N THR A 46 -3.052 -5.461 -8.246 1.00 0.00 N ATOM 724 CA THR A 46 -3.002 -5.063 -9.644 1.00 0.00 C ATOM 725 C THR A 46 -1.947 -3.993 -9.839 1.00 0.00 C ATOM 726 O THR A 46 -1.052 -4.138 -10.665 1.00 0.00 O ATOM 727 CB THR A 46 -4.363 -4.526 -10.095 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.271 -5.587 -10.336 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.296 -3.681 -11.352 1.00 0.00 C ATOM 0 H THR A 46 -3.933 -5.247 -7.778 1.00 0.00 H new ATOM 0 HA THR A 46 -2.749 -5.937 -10.244 1.00 0.00 H new ATOM 0 HB THR A 46 -4.704 -3.895 -9.274 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.664 -5.880 -9.488 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.297 -3.335 -11.612 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.649 -2.821 -11.178 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.895 -4.278 -12.171 1.00 0.00 H new ATOM 737 N VAL A 47 -2.070 -2.908 -9.082 1.00 0.00 N ATOM 738 CA VAL A 47 -1.124 -1.803 -9.191 1.00 0.00 C ATOM 739 C VAL A 47 0.307 -2.304 -9.185 1.00 0.00 C ATOM 740 O VAL A 47 1.039 -2.121 -10.153 1.00 0.00 O ATOM 741 CB VAL A 47 -1.263 -0.755 -8.068 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.754 0.552 -8.626 1.00 0.00 C ATOM 743 CG2 VAL A 47 -2.171 -1.209 -6.951 1.00 0.00 C ATOM 0 H VAL A 47 -2.808 -2.770 -8.392 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.365 -1.323 -10.139 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.269 -0.623 -7.642 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.846 1.280 -7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.045 0.920 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.727 0.405 -9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.230 -0.430 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.167 -1.404 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.773 -2.121 -6.506 1.00 0.00 H new ATOM 753 N ALA A 48 0.706 -2.945 -8.099 1.00 0.00 N ATOM 754 CA ALA A 48 2.055 -3.469 -8.014 1.00 0.00 C ATOM 755 C ALA A 48 2.327 -4.389 -9.203 1.00 0.00 C ATOM 756 O ALA A 48 3.461 -4.508 -9.666 1.00 0.00 O ATOM 757 CB ALA A 48 2.270 -4.176 -6.689 1.00 0.00 C ATOM 0 H ALA A 48 0.125 -3.112 -7.278 1.00 0.00 H new ATOM 0 HA ALA A 48 2.767 -2.645 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.288 -4.562 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.112 -3.473 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.564 -5.002 -6.598 1.00 0.00 H new ATOM 763 N SER A 49 1.263 -5.023 -9.702 1.00 0.00 N ATOM 764 CA SER A 49 1.366 -5.916 -10.850 1.00 0.00 C ATOM 765 C SER A 49 1.416 -5.121 -12.158 1.00 0.00 C ATOM 766 O SER A 49 1.999 -5.571 -13.144 1.00 0.00 O ATOM 767 CB SER A 49 0.182 -6.882 -10.877 1.00 0.00 C ATOM 768 OG SER A 49 0.056 -7.501 -12.146 1.00 0.00 O ATOM 0 H SER A 49 0.320 -4.932 -9.325 1.00 0.00 H new ATOM 0 HA SER A 49 2.291 -6.485 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.313 -7.644 -10.109 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.736 -6.344 -10.639 1.00 0.00 H new ATOM 0 HG SER A 49 -0.886 -7.710 -12.316 1.00 0.00 H new ATOM 774 N ARG A 50 0.795 -3.941 -12.162 1.00 0.00 N ATOM 775 CA ARG A 50 0.766 -3.093 -13.350 1.00 0.00 C ATOM 776 C ARG A 50 1.973 -2.169 -13.389 1.00 0.00 C ATOM 777 O ARG A 50 2.537 -1.916 -14.454 1.00 0.00 O ATOM 778 CB ARG A 50 -0.526 -2.273 -13.408 1.00 0.00 C ATOM 779 CG ARG A 50 -0.560 -1.128 -12.413 1.00 0.00 C ATOM 780 CD ARG A 50 -1.809 -0.274 -12.561 1.00 0.00 C ATOM 781 NE ARG A 50 -1.926 0.300 -13.901 1.00 0.00 N ATOM 782 CZ ARG A 50 -2.499 -0.322 -14.931 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.006 -1.539 -14.784 1.00 0.00 N ATOM 784 NH2 ARG A 50 -2.563 0.276 -16.113 1.00 0.00 N ATOM 0 H ARG A 50 0.306 -3.553 -11.355 1.00 0.00 H new ATOM 0 HA ARG A 50 0.801 -3.746 -14.222 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.649 -1.873 -14.415 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.374 -2.932 -13.221 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.514 -1.528 -11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.323 -0.504 -12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.690 -0.880 -12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.789 0.528 -11.824 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.546 1.234 -14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.959 -2.005 -13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.443 -2.009 -15.577 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.174 1.211 -16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.001 -0.199 -16.902 1.00 0.00 H new ATOM 798 N THR A 51 2.373 -1.676 -12.226 1.00 0.00 N ATOM 799 CA THR A 51 3.516 -0.796 -12.147 1.00 0.00 C ATOM 800 C THR A 51 4.777 -1.588 -12.467 1.00 0.00 C ATOM 801 O THR A 51 5.222 -2.417 -11.673 1.00 0.00 O ATOM 802 CB THR A 51 3.588 -0.165 -10.755 1.00 0.00 C ATOM 803 OG1 THR A 51 2.400 0.556 -10.490 1.00 0.00 O ATOM 804 CG2 THR A 51 4.748 0.790 -10.578 1.00 0.00 C ATOM 0 H THR A 51 1.922 -1.872 -11.332 1.00 0.00 H new ATOM 0 HA THR A 51 3.422 0.011 -12.873 1.00 0.00 H new ATOM 0 HB THR A 51 3.725 -0.997 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.668 -0.072 -10.318 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.733 1.197 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.685 0.258 -10.741 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.663 1.604 -11.298 1.00 0.00 H new ATOM 812 N GLY A 52 5.328 -1.348 -13.651 1.00 0.00 N ATOM 813 CA GLY A 52 6.515 -2.068 -14.087 1.00 0.00 C ATOM 814 C GLY A 52 7.806 -1.560 -13.471 1.00 0.00 C ATOM 815 O GLY A 52 8.831 -1.494 -14.147 1.00 0.00 O ATOM 0 H GLY A 52 4.974 -0.665 -14.321 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.398 -3.123 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.591 -2.000 -15.172 1.00 0.00 H new ATOM 819 N ALA A 53 7.766 -1.220 -12.187 1.00 0.00 N ATOM 820 CA ALA A 53 8.954 -0.737 -11.492 1.00 0.00 C ATOM 821 C ALA A 53 9.549 0.490 -12.173 1.00 0.00 C ATOM 822 O ALA A 53 9.311 0.738 -13.355 1.00 0.00 O ATOM 823 CB ALA A 53 9.994 -1.841 -11.397 1.00 0.00 C ATOM 0 H ALA A 53 6.927 -1.270 -11.608 1.00 0.00 H new ATOM 0 HA ALA A 53 8.650 -0.442 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.875 -1.467 -10.876 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.579 -2.686 -10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.275 -2.164 -12.400 1.00 0.00 H new ATOM 829 N GLY A 54 10.326 1.256 -11.416 1.00 0.00 N ATOM 830 CA GLY A 54 10.946 2.447 -11.957 1.00 0.00 C ATOM 831 C GLY A 54 9.950 3.561 -12.186 1.00 0.00 C ATOM 832 O GLY A 54 10.249 4.537 -12.875 1.00 0.00 O ATOM 0 H GLY A 54 10.537 1.071 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.722 2.792 -11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.436 2.202 -12.899 1.00 0.00 H new ATOM 836 N GLU A 55 8.759 3.421 -11.610 1.00 0.00 N ATOM 837 CA GLU A 55 7.726 4.433 -11.767 1.00 0.00 C ATOM 838 C GLU A 55 6.636 4.294 -10.710 1.00 0.00 C ATOM 839 O GLU A 55 6.443 3.225 -10.133 1.00 0.00 O ATOM 840 CB GLU A 55 7.107 4.348 -13.163 1.00 0.00 C ATOM 841 CG GLU A 55 6.866 2.924 -13.637 1.00 0.00 C ATOM 842 CD GLU A 55 5.569 2.778 -14.410 1.00 0.00 C ATOM 843 OE1 GLU A 55 5.319 3.606 -15.311 1.00 0.00 O ATOM 844 OE2 GLU A 55 4.803 1.837 -14.114 1.00 0.00 O ATOM 0 H GLU A 55 8.489 2.623 -11.035 1.00 0.00 H new ATOM 0 HA GLU A 55 8.199 5.406 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.160 4.888 -13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.762 4.852 -13.873 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.698 2.609 -14.267 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.848 2.256 -12.776 1.00 0.00 H new ATOM 851 N ARG A 56 5.921 5.391 -10.473 1.00 0.00 N ATOM 852 CA ARG A 56 4.839 5.408 -9.498 1.00 0.00 C ATOM 853 C ARG A 56 3.489 5.407 -10.205 1.00 0.00 C ATOM 854 O ARG A 56 3.339 6.004 -11.272 1.00 0.00 O ATOM 855 CB ARG A 56 4.956 6.640 -8.596 1.00 0.00 C ATOM 856 CG ARG A 56 5.181 7.934 -9.359 1.00 0.00 C ATOM 857 CD ARG A 56 5.099 9.145 -8.442 1.00 0.00 C ATOM 858 NE ARG A 56 6.354 9.892 -8.408 1.00 0.00 N ATOM 859 CZ ARG A 56 6.739 10.740 -9.359 1.00 0.00 C ATOM 860 NH1 ARG A 56 5.968 10.955 -10.418 1.00 0.00 N ATOM 861 NH2 ARG A 56 7.896 11.376 -9.251 1.00 0.00 N ATOM 0 H ARG A 56 6.074 6.282 -10.946 1.00 0.00 H new ATOM 0 HA ARG A 56 4.914 4.512 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.047 6.732 -8.001 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.780 6.492 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.158 7.908 -9.842 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.437 8.025 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.296 9.801 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.843 8.819 -7.434 1.00 0.00 H new ATOM 0 HE ARG A 56 6.972 9.756 -7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.075 10.469 -10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.268 11.606 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.492 11.216 -8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.191 12.026 -9.980 1.00 0.00 H new ATOM 875 N GLN A 57 2.507 4.730 -9.616 1.00 0.00 N ATOM 876 CA GLN A 57 1.177 4.658 -10.216 1.00 0.00 C ATOM 877 C GLN A 57 0.089 5.126 -9.259 1.00 0.00 C ATOM 878 O GLN A 57 -0.009 4.659 -8.127 1.00 0.00 O ATOM 879 CB GLN A 57 0.856 3.227 -10.668 1.00 0.00 C ATOM 880 CG GLN A 57 1.462 2.864 -12.014 1.00 0.00 C ATOM 881 CD GLN A 57 0.667 3.421 -13.179 1.00 0.00 C ATOM 882 OE1 GLN A 57 -0.179 2.735 -13.752 1.00 0.00 O ATOM 883 NE2 GLN A 57 0.936 4.671 -13.535 1.00 0.00 N ATOM 0 H GLN A 57 2.604 4.228 -8.733 1.00 0.00 H new ATOM 0 HA GLN A 57 1.192 5.325 -11.078 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.218 2.527 -9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.226 3.106 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.484 3.241 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.518 1.779 -12.103 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.646 5.203 -13.032 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.433 5.099 -14.312 1.00 0.00 H new ATOM 892 N SER A 58 -0.759 6.018 -9.743 1.00 0.00 N ATOM 893 CA SER A 58 -1.873 6.501 -8.962 1.00 0.00 C ATOM 894 C SER A 58 -3.152 6.133 -9.699 1.00 0.00 C ATOM 895 O SER A 58 -3.518 6.767 -10.690 1.00 0.00 O ATOM 896 CB SER A 58 -1.784 8.015 -8.755 1.00 0.00 C ATOM 897 OG SER A 58 -0.495 8.393 -8.302 1.00 0.00 O ATOM 0 H SER A 58 -0.692 6.421 -10.678 1.00 0.00 H new ATOM 0 HA SER A 58 -1.861 6.043 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.009 8.527 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.535 8.331 -8.031 1.00 0.00 H new ATOM 0 HG SER A 58 -0.289 9.297 -8.619 1.00 0.00 H new ATOM 903 N ILE A 59 -3.806 5.085 -9.229 1.00 0.00 N ATOM 904 CA ILE A 59 -5.028 4.594 -9.863 1.00 0.00 C ATOM 905 C ILE A 59 -6.260 5.305 -9.326 1.00 0.00 C ATOM 906 O ILE A 59 -6.708 5.044 -8.210 1.00 0.00 O ATOM 907 CB ILE A 59 -5.199 3.062 -9.691 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.230 2.516 -8.645 1.00 0.00 C ATOM 909 CG2 ILE A 59 -4.983 2.351 -11.017 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.572 1.129 -8.168 1.00 0.00 C ATOM 0 H ILE A 59 -3.514 4.553 -8.409 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.928 4.812 -10.926 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.217 2.876 -9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.224 2.509 -9.064 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.214 3.191 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.107 1.277 -10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.711 2.709 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.976 2.556 -11.380 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.840 0.808 -7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.565 1.133 -7.719 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.559 0.440 -9.013 1.00 0.00 H new ATOM 922 N GLU A 60 -6.803 6.202 -10.139 1.00 0.00 N ATOM 923 CA GLU A 60 -7.990 6.963 -9.769 1.00 0.00 C ATOM 924 C GLU A 60 -9.240 6.344 -10.386 1.00 0.00 C ATOM 925 O GLU A 60 -9.414 6.363 -11.604 1.00 0.00 O ATOM 926 CB GLU A 60 -7.855 8.418 -10.227 1.00 0.00 C ATOM 927 CG GLU A 60 -6.482 9.019 -9.971 1.00 0.00 C ATOM 928 CD GLU A 60 -6.105 10.067 -11.000 1.00 0.00 C ATOM 929 OE1 GLU A 60 -5.677 9.683 -12.108 1.00 0.00 O ATOM 930 OE2 GLU A 60 -6.238 11.272 -10.697 1.00 0.00 O ATOM 0 H GLU A 60 -6.437 6.422 -11.066 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.084 6.938 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.073 8.475 -11.294 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.606 9.021 -9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.465 9.467 -8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.735 8.225 -9.975 1.00 0.00 H new ATOM 937 N GLU A 61 -10.103 5.791 -9.541 1.00 0.00 N ATOM 938 CA GLU A 61 -11.331 5.163 -10.023 1.00 0.00 C ATOM 939 C GLU A 61 -12.506 5.425 -9.083 1.00 0.00 C ATOM 940 O GLU A 61 -12.623 4.801 -8.031 1.00 0.00 O ATOM 941 CB GLU A 61 -11.122 3.655 -10.183 1.00 0.00 C ATOM 942 CG GLU A 61 -12.348 2.924 -10.707 1.00 0.00 C ATOM 943 CD GLU A 61 -12.288 1.431 -10.456 1.00 0.00 C ATOM 944 OE1 GLU A 61 -11.305 0.795 -10.889 1.00 0.00 O ATOM 945 OE2 GLU A 61 -13.224 0.897 -9.824 1.00 0.00 O ATOM 0 H GLU A 61 -9.979 5.764 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.570 5.605 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.288 3.482 -10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.841 3.231 -9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.240 3.333 -10.233 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.444 3.105 -11.778 1.00 0.00 H new ATOM 952 N GLY A 62 -13.385 6.338 -9.486 1.00 0.00 N ATOM 953 CA GLY A 62 -14.556 6.656 -8.684 1.00 0.00 C ATOM 954 C GLY A 62 -14.218 7.041 -7.255 1.00 0.00 C ATOM 955 O GLY A 62 -14.239 6.199 -6.357 1.00 0.00 O ATOM 0 H GLY A 62 -13.308 6.865 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.099 7.475 -9.155 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.225 5.795 -8.673 1.00 0.00 H new ATOM 959 N ASN A 63 -13.920 8.321 -7.043 1.00 0.00 N ATOM 960 CA ASN A 63 -13.590 8.832 -5.713 1.00 0.00 C ATOM 961 C ASN A 63 -12.618 7.910 -4.976 1.00 0.00 C ATOM 962 O ASN A 63 -12.620 7.849 -3.746 1.00 0.00 O ATOM 963 CB ASN A 63 -14.867 9.011 -4.886 1.00 0.00 C ATOM 964 CG ASN A 63 -15.061 10.444 -4.426 1.00 0.00 C ATOM 965 OD1 ASN A 63 -15.381 11.326 -5.223 1.00 0.00 O ATOM 966 ND2 ASN A 63 -14.870 10.682 -3.134 1.00 0.00 N ATOM 0 H ASN A 63 -13.900 9.027 -7.779 1.00 0.00 H new ATOM 0 HA ASN A 63 -13.101 9.797 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -15.728 8.703 -5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.829 8.355 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.988 11.626 -2.766 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.605 9.921 -2.509 1.00 0.00 H new ATOM 973 N TYR A 64 -11.789 7.199 -5.732 1.00 0.00 N ATOM 974 CA TYR A 64 -10.813 6.288 -5.143 1.00 0.00 C ATOM 975 C TYR A 64 -9.483 6.378 -5.877 1.00 0.00 C ATOM 976 O TYR A 64 -9.430 6.274 -7.101 1.00 0.00 O ATOM 977 CB TYR A 64 -11.320 4.846 -5.193 1.00 0.00 C ATOM 978 CG TYR A 64 -12.012 4.378 -3.930 1.00 0.00 C ATOM 979 CD1 TYR A 64 -13.175 4.991 -3.480 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.505 3.313 -3.196 1.00 0.00 C ATOM 981 CE1 TYR A 64 -13.811 4.556 -2.332 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.135 2.874 -2.047 1.00 0.00 C ATOM 983 CZ TYR A 64 -13.288 3.498 -1.620 1.00 0.00 C ATOM 984 OH TYR A 64 -13.919 3.062 -0.477 1.00 0.00 O ATOM 0 H TYR A 64 -11.773 7.235 -6.751 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.670 6.582 -4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -12.012 4.747 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.477 4.185 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -13.588 5.820 -4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.604 2.820 -3.529 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -14.714 5.043 -1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.726 2.046 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 64 -13.272 2.604 0.099 1.00 0.00 H new ATOM 994 N ILE A 65 -8.410 6.563 -5.122 1.00 0.00 N ATOM 995 CA ILE A 65 -7.076 6.655 -5.699 1.00 0.00 C ATOM 996 C ILE A 65 -6.177 5.553 -5.155 1.00 0.00 C ATOM 997 O ILE A 65 -6.298 5.152 -3.999 1.00 0.00 O ATOM 998 CB ILE A 65 -6.424 8.023 -5.403 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.930 9.080 -6.392 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.897 7.921 -5.459 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.910 10.156 -6.706 1.00 0.00 C ATOM 0 H ILE A 65 -8.437 6.653 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.186 6.542 -6.777 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.707 8.327 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.223 8.587 -7.319 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.825 9.548 -5.983 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.459 8.897 -5.247 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.553 7.200 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.590 7.594 -6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.338 10.868 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.635 10.675 -5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.023 9.699 -7.144 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.261 5.084 -5.992 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.338 4.052 -5.570 1.00 0.00 C ATOM 1015 C GLY A 66 -2.904 4.401 -5.895 1.00 0.00 C ATOM 1016 O GLY A 66 -2.417 4.118 -6.990 1.00 0.00 O ATOM 0 H GLY A 66 -5.142 5.400 -6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.437 3.895 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.600 3.112 -6.055 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.227 5.023 -4.937 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.841 5.418 -5.123 1.00 0.00 C ATOM 1022 C HIS A 67 0.061 4.192 -5.268 1.00 0.00 C ATOM 1023 O HIS A 67 -0.241 3.123 -4.739 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.368 6.274 -3.946 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.267 7.433 -3.648 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.583 8.400 -4.578 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.918 7.779 -2.513 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.387 9.292 -4.028 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.606 8.938 -2.776 1.00 0.00 N ATOM 0 H HIS A 67 -2.617 5.263 -4.026 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.778 6.005 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.292 5.646 -3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.634 6.647 -4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.900 7.243 -1.575 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.795 10.163 -4.519 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.192 9.443 -2.111 1.00 0.00 H new ATOM 1038 N VAL A 68 1.164 4.350 -5.991 1.00 0.00 N ATOM 1039 CA VAL A 68 2.098 3.249 -6.206 1.00 0.00 C ATOM 1040 C VAL A 68 3.528 3.761 -6.368 1.00 0.00 C ATOM 1041 O VAL A 68 3.766 4.778 -7.018 1.00 0.00 O ATOM 1042 CB VAL A 68 1.696 2.429 -7.457 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.887 1.778 -8.131 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.685 1.368 -7.111 1.00 0.00 C ATOM 0 H VAL A 68 1.434 5.227 -6.437 1.00 0.00 H new ATOM 0 HA VAL A 68 2.056 2.606 -5.327 1.00 0.00 H new ATOM 0 HB VAL A 68 1.256 3.141 -8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.550 1.216 -9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.592 2.547 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.377 1.102 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.422 0.809 -8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.109 0.688 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.209 1.837 -6.701 1.00 0.00 H new ATOM 1054 N TYR A 69 4.476 3.028 -5.793 1.00 0.00 N ATOM 1055 CA TYR A 69 5.887 3.378 -5.889 1.00 0.00 C ATOM 1056 C TYR A 69 6.737 2.114 -5.866 1.00 0.00 C ATOM 1057 O TYR A 69 6.812 1.418 -4.850 1.00 0.00 O ATOM 1058 CB TYR A 69 6.314 4.309 -4.754 1.00 0.00 C ATOM 1059 CG TYR A 69 5.762 5.711 -4.860 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.472 6.008 -4.435 1.00 0.00 C ATOM 1061 CD2 TYR A 69 6.536 6.743 -5.373 1.00 0.00 C ATOM 1062 CE1 TYR A 69 3.970 7.292 -4.520 1.00 0.00 C ATOM 1063 CE2 TYR A 69 6.040 8.029 -5.462 1.00 0.00 C ATOM 1064 CZ TYR A 69 4.757 8.298 -5.035 1.00 0.00 C ATOM 1065 OH TYR A 69 4.262 9.579 -5.121 1.00 0.00 O ATOM 0 H TYR A 69 4.290 2.183 -5.253 1.00 0.00 H new ATOM 0 HA TYR A 69 6.037 3.905 -6.831 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.996 3.876 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.403 4.360 -4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.852 5.221 -4.031 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.542 6.537 -5.708 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.966 7.506 -4.184 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.655 8.821 -5.864 1.00 0.00 H new ATOM 0 HH TYR A 69 5.003 10.219 -5.081 1.00 0.00 H new ATOM 1075 N ALA A 70 7.366 1.816 -6.993 1.00 0.00 N ATOM 1076 CA ALA A 70 8.201 0.631 -7.105 1.00 0.00 C ATOM 1077 C ALA A 70 9.678 1.001 -7.176 1.00 0.00 C ATOM 1078 O ALA A 70 10.051 1.991 -7.806 1.00 0.00 O ATOM 1079 CB ALA A 70 7.795 -0.175 -8.326 1.00 0.00 C ATOM 0 H ALA A 70 7.314 2.379 -7.842 1.00 0.00 H new ATOM 0 HA ALA A 70 8.054 0.023 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.425 -1.061 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.752 -0.478 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.916 0.435 -9.221 1.00 0.00 H new ATOM 1085 N ARG A 71 10.514 0.200 -6.525 1.00 0.00 N ATOM 1086 CA ARG A 71 11.951 0.443 -6.513 1.00 0.00 C ATOM 1087 C ARG A 71 12.655 -0.416 -7.558 1.00 0.00 C ATOM 1088 O ARG A 71 12.028 -1.237 -8.226 1.00 0.00 O ATOM 1089 CB ARG A 71 12.526 0.158 -5.123 1.00 0.00 C ATOM 1090 CG ARG A 71 12.804 1.414 -4.312 1.00 0.00 C ATOM 1091 CD ARG A 71 14.099 1.293 -3.525 1.00 0.00 C ATOM 1092 NE ARG A 71 14.107 2.157 -2.347 1.00 0.00 N ATOM 1093 CZ ARG A 71 14.358 3.463 -2.388 1.00 0.00 C ATOM 1094 NH1 ARG A 71 14.620 4.060 -3.545 1.00 0.00 N ATOM 1095 NH2 ARG A 71 14.348 4.175 -1.270 1.00 0.00 N ATOM 0 H ARG A 71 10.221 -0.623 -5.999 1.00 0.00 H new ATOM 0 HA ARG A 71 12.121 1.491 -6.758 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.829 -0.473 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.451 -0.408 -5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.861 2.274 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.976 1.597 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.240 0.257 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.940 1.550 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 71 13.909 1.734 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.630 3.517 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.812 5.062 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.148 3.722 -0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 71 14.540 5.176 -1.301 1.00 0.00 H new ATOM 1109 N SER A 72 13.964 -0.224 -7.689 1.00 0.00 N ATOM 1110 CA SER A 72 14.755 -0.983 -8.649 1.00 0.00 C ATOM 1111 C SER A 72 15.460 -2.152 -7.969 1.00 0.00 C ATOM 1112 O SER A 72 16.526 -2.586 -8.405 1.00 0.00 O ATOM 1113 CB SER A 72 15.782 -0.074 -9.328 1.00 0.00 C ATOM 1114 OG SER A 72 15.339 0.326 -10.613 1.00 0.00 O ATOM 0 H SER A 72 14.499 0.451 -7.142 1.00 0.00 H new ATOM 0 HA SER A 72 14.079 -1.382 -9.406 1.00 0.00 H new ATOM 0 HB2 SER A 72 15.957 0.807 -8.710 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.734 -0.597 -9.415 1.00 0.00 H new ATOM 0 HG SER A 72 16.012 0.907 -11.025 1.00 0.00 H new ATOM 1120 N GLU A 73 14.857 -2.659 -6.896 1.00 0.00 N ATOM 1121 CA GLU A 73 15.429 -3.777 -6.157 1.00 0.00 C ATOM 1122 C GLU A 73 14.777 -5.094 -6.570 1.00 0.00 C ATOM 1123 O GLU A 73 15.466 -6.064 -6.885 1.00 0.00 O ATOM 1124 CB GLU A 73 15.259 -3.558 -4.653 1.00 0.00 C ATOM 1125 CG GLU A 73 15.772 -2.210 -4.174 1.00 0.00 C ATOM 1126 CD GLU A 73 17.192 -2.280 -3.647 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.363 -2.525 -2.434 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.132 -2.089 -4.447 1.00 0.00 O ATOM 0 H GLU A 73 13.974 -2.313 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 73 16.492 -3.831 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.203 -3.647 -4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.784 -4.349 -4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.728 -1.496 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.115 -1.833 -3.390 1.00 0.00 H new ATOM 1135 N GLY A 74 13.448 -5.121 -6.567 1.00 0.00 N ATOM 1136 CA GLY A 74 12.733 -6.328 -6.947 1.00 0.00 C ATOM 1137 C GLY A 74 11.333 -6.394 -6.364 1.00 0.00 C ATOM 1138 O GLY A 74 10.464 -7.082 -6.900 1.00 0.00 O ATOM 0 H GLY A 74 12.854 -4.333 -6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.671 -6.381 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.300 -7.199 -6.617 1.00 0.00 H new ATOM 1142 N ILE A 75 11.112 -5.679 -5.265 1.00 0.00 N ATOM 1143 CA ILE A 75 9.805 -5.663 -4.612 1.00 0.00 C ATOM 1144 C ILE A 75 9.288 -4.227 -4.496 1.00 0.00 C ATOM 1145 O ILE A 75 10.009 -3.330 -4.061 1.00 0.00 O ATOM 1146 CB ILE A 75 9.856 -6.374 -3.221 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.449 -5.453 -2.062 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.241 -6.946 -2.966 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.493 -4.420 -1.690 1.00 0.00 C ATOM 0 H ILE A 75 11.819 -5.104 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 75 9.104 -6.225 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 75 9.125 -7.182 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.525 -4.939 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.232 -6.065 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.258 -7.437 -1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.484 -7.671 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.975 -6.141 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.125 -3.812 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 75 11.412 -4.923 -1.389 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.694 -3.780 -2.549 1.00 0.00 H new ATOM 1161 N CYS A 76 8.044 -4.013 -4.920 1.00 0.00 N ATOM 1162 CA CYS A 76 7.443 -2.682 -4.890 1.00 0.00 C ATOM 1163 C CYS A 76 6.335 -2.583 -3.848 1.00 0.00 C ATOM 1164 O CYS A 76 5.774 -3.592 -3.424 1.00 0.00 O ATOM 1165 CB CYS A 76 6.889 -2.326 -6.268 1.00 0.00 C ATOM 1166 SG CYS A 76 5.620 -3.464 -6.871 1.00 0.00 S ATOM 0 H CYS A 76 7.434 -4.743 -5.288 1.00 0.00 H new ATOM 0 HA CYS A 76 8.225 -1.975 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.471 -1.320 -6.231 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.711 -2.304 -6.983 1.00 0.00 H new ATOM 0 HG CYS A 76 5.233 -4.237 -5.900 1.00 0.00 H new ATOM 1172 N GLY A 77 6.018 -1.353 -3.449 1.00 0.00 N ATOM 1173 CA GLY A 77 4.970 -1.135 -2.470 1.00 0.00 C ATOM 1174 C GLY A 77 3.779 -0.422 -3.074 1.00 0.00 C ATOM 1175 O GLY A 77 3.935 0.365 -4.013 1.00 0.00 O ATOM 0 H GLY A 77 6.470 -0.504 -3.788 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.651 -2.093 -2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.363 -0.548 -1.640 1.00 0.00 H new ATOM 1179 N VAL A 78 2.582 -0.695 -2.557 1.00 0.00 N ATOM 1180 CA VAL A 78 1.385 -0.064 -3.092 1.00 0.00 C ATOM 1181 C VAL A 78 0.576 0.644 -2.008 1.00 0.00 C ATOM 1182 O VAL A 78 0.521 0.201 -0.858 1.00 0.00 O ATOM 1183 CB VAL A 78 0.491 -1.096 -3.823 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -0.993 -0.832 -3.593 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.801 -1.126 -5.308 1.00 0.00 C ATOM 0 H VAL A 78 2.420 -1.338 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 78 1.721 0.687 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 78 0.720 -2.074 -3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.582 -1.580 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.212 -0.888 -2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.248 0.161 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.160 -1.858 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.621 -0.140 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.845 -1.401 -5.456 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.064 1.740 -2.402 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.896 2.520 -1.491 1.00 0.00 C ATOM 1197 C LEU A 79 -2.214 2.884 -2.167 1.00 0.00 C ATOM 1198 O LEU A 79 -2.247 3.147 -3.368 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.165 3.795 -1.066 1.00 0.00 C ATOM 1200 CG LEU A 79 0.736 3.665 0.164 1.00 0.00 C ATOM 1201 CD1 LEU A 79 2.163 3.375 -0.249 1.00 0.00 C ATOM 1202 CD2 LEU A 79 0.680 4.935 0.994 1.00 0.00 C ATOM 0 H LEU A 79 -0.022 2.110 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.102 1.918 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.442 4.140 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.907 4.569 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 79 0.374 2.833 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.788 3.286 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.197 2.442 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.533 4.188 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.326 4.829 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.019 5.778 0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.345 5.111 1.321 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.301 2.912 -1.403 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.601 3.265 -1.968 1.00 0.00 C ATOM 1216 C ILE A 80 -5.414 4.112 -1.000 1.00 0.00 C ATOM 1217 O ILE A 80 -5.765 3.669 0.093 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.428 2.022 -2.388 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.705 0.730 -2.013 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.710 2.056 -3.883 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.349 -0.518 -2.584 1.00 0.00 C ATOM 0 H ILE A 80 -3.311 2.698 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.389 3.846 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.376 2.048 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.674 0.787 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.671 0.646 -0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.291 1.178 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.273 2.957 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.768 2.058 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.780 -1.395 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.372 -0.601 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.359 -0.457 -3.672 1.00 0.00 H new ATOM 1233 N THR A 81 -5.706 5.338 -1.419 1.00 0.00 N ATOM 1234 CA THR A 81 -6.474 6.271 -0.607 1.00 0.00 C ATOM 1235 C THR A 81 -7.516 6.986 -1.458 1.00 0.00 C ATOM 1236 O THR A 81 -7.685 6.672 -2.634 1.00 0.00 O ATOM 1237 CB THR A 81 -5.544 7.294 0.049 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.275 8.403 0.536 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.482 7.820 -0.886 1.00 0.00 C ATOM 0 H THR A 81 -5.419 5.710 -2.324 1.00 0.00 H new ATOM 0 HA THR A 81 -6.986 5.707 0.173 1.00 0.00 H new ATOM 0 HB THR A 81 -5.057 6.757 0.863 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.778 8.827 1.266 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.857 8.541 -0.358 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.865 6.993 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.956 8.307 -1.738 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.208 7.949 -0.864 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.225 8.707 -1.575 1.00 0.00 C ATOM 1249 C ASP A 82 -8.593 9.868 -2.334 1.00 0.00 C ATOM 1250 O ASP A 82 -7.442 10.228 -2.089 1.00 0.00 O ATOM 1251 CB ASP A 82 -10.277 9.229 -0.596 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.607 9.501 -1.270 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.755 10.583 -1.877 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.502 8.633 -1.191 1.00 0.00 O ATOM 0 H ASP A 82 -8.082 8.223 0.110 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.709 8.045 -2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.419 8.501 0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.914 10.146 -0.131 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.350 10.451 -3.258 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.856 11.571 -4.051 1.00 0.00 C ATOM 1261 C LYS A 83 -8.382 12.714 -3.153 1.00 0.00 C ATOM 1262 O LYS A 83 -7.581 13.551 -3.571 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.947 12.069 -5.001 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.437 13.033 -6.060 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.646 14.480 -5.644 1.00 0.00 C ATOM 1266 CE LYS A 83 -9.620 15.414 -6.844 1.00 0.00 C ATOM 1267 NZ LYS A 83 -8.295 15.412 -7.523 1.00 0.00 N ATOM 0 H LYS A 83 -10.305 10.167 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.005 11.221 -4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.408 11.212 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.727 12.560 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.376 12.854 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.953 12.846 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.601 14.577 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.869 14.772 -4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.391 15.115 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.860 16.427 -6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.298 16.111 -8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.553 15.657 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.107 14.467 -7.914 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.874 12.741 -1.914 1.00 0.00 N ATOM 1282 CA GLN A 84 -8.490 13.777 -0.959 1.00 0.00 C ATOM 1283 C GLN A 84 -7.248 13.356 -0.175 1.00 0.00 C ATOM 1284 O GLN A 84 -7.147 13.586 1.030 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.645 14.068 0.004 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.486 15.268 -0.400 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.687 16.247 0.741 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -9.834 16.378 1.620 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.819 16.941 0.733 1.00 0.00 N ATOM 0 H GLN A 84 -9.538 12.058 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.257 14.685 -1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -10.287 13.189 0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.241 14.237 1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.006 15.780 -1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.458 14.924 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.498 16.801 -0.015 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.010 17.615 1.475 1.00 0.00 H new ATOM 1298 N TYR A 85 -6.308 12.731 -0.876 1.00 0.00 N ATOM 1299 CA TYR A 85 -5.069 12.263 -0.275 1.00 0.00 C ATOM 1300 C TYR A 85 -3.946 12.344 -1.305 1.00 0.00 C ATOM 1301 O TYR A 85 -3.645 11.365 -1.989 1.00 0.00 O ATOM 1302 CB TYR A 85 -5.254 10.824 0.208 1.00 0.00 C ATOM 1303 CG TYR A 85 -4.151 10.289 1.103 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.820 10.300 0.698 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.451 9.739 2.344 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.826 9.781 1.503 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.461 9.222 3.154 1.00 0.00 C ATOM 1308 CZ TYR A 85 -2.151 9.243 2.728 1.00 0.00 C ATOM 1309 OH TYR A 85 -1.162 8.721 3.528 1.00 0.00 O ATOM 0 H TYR A 85 -6.385 12.536 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.807 12.889 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -6.199 10.759 0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.338 10.175 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.560 10.721 -0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.477 9.716 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.798 9.797 1.173 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.712 8.803 4.117 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.004 9.321 4.286 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.325 13.527 -1.444 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.244 13.750 -2.406 1.00 0.00 C ATOM 1321 C PRO A 86 -1.245 12.598 -2.460 1.00 0.00 C ATOM 1322 O PRO A 86 -1.076 11.860 -1.489 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.577 15.014 -1.875 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.685 15.777 -1.233 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.640 14.750 -0.679 1.00 0.00 C ATOM 0 HA PRO A 86 -2.617 13.832 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.791 14.777 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.114 15.587 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.305 16.422 -0.441 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.184 16.421 -1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.492 14.602 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.678 15.053 -0.818 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.585 12.454 -3.606 1.00 0.00 N ATOM 1334 CA VAL A 87 0.401 11.397 -3.798 1.00 0.00 C ATOM 1335 C VAL A 87 1.708 11.728 -3.088 1.00 0.00 C ATOM 1336 O VAL A 87 2.459 10.832 -2.703 1.00 0.00 O ATOM 1337 CB VAL A 87 0.692 11.169 -5.295 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.550 9.928 -5.489 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -0.605 11.063 -6.086 1.00 0.00 C ATOM 0 H VAL A 87 -0.716 13.058 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.023 10.488 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 87 1.247 12.028 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.745 9.783 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.495 10.053 -4.960 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.026 9.058 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.377 10.902 -7.140 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.193 10.226 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.175 11.985 -5.975 1.00 0.00 H new ATOM 1349 N ARG A 88 1.977 13.020 -2.914 1.00 0.00 N ATOM 1350 CA ARG A 88 3.199 13.464 -2.247 1.00 0.00 C ATOM 1351 C ARG A 88 3.417 12.704 -0.942 1.00 0.00 C ATOM 1352 O ARG A 88 4.453 12.063 -0.763 1.00 0.00 O ATOM 1353 CB ARG A 88 3.153 14.971 -1.996 1.00 0.00 C ATOM 1354 CG ARG A 88 2.782 15.767 -3.234 1.00 0.00 C ATOM 1355 CD ARG A 88 1.581 16.667 -2.984 1.00 0.00 C ATOM 1356 NE ARG A 88 1.661 17.911 -3.746 1.00 0.00 N ATOM 1357 CZ ARG A 88 2.407 18.953 -3.389 1.00 0.00 C ATOM 1358 NH1 ARG A 88 3.140 18.906 -2.282 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.422 20.045 -4.139 1.00 0.00 N ATOM 0 H ARG A 88 1.367 13.776 -3.225 1.00 0.00 H new ATOM 0 HA ARG A 88 4.042 13.249 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.431 15.180 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.126 15.304 -1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.633 16.373 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.560 15.083 -4.054 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.668 16.136 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.515 16.897 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 88 1.112 17.985 -4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.133 18.068 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.710 19.708 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.862 20.087 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.994 20.844 -3.865 1.00 0.00 H new ATOM 1373 N PRO A 89 2.441 12.735 -0.015 1.00 0.00 N ATOM 1374 CA PRO A 89 2.559 12.011 1.249 1.00 0.00 C ATOM 1375 C PRO A 89 2.614 10.515 1.008 1.00 0.00 C ATOM 1376 O PRO A 89 3.193 9.772 1.796 1.00 0.00 O ATOM 1377 CB PRO A 89 1.293 12.399 2.018 1.00 0.00 C ATOM 1378 CG PRO A 89 0.326 12.814 0.964 1.00 0.00 C ATOM 1379 CD PRO A 89 1.149 13.440 -0.126 1.00 0.00 C ATOM 0 HA PRO A 89 3.470 12.260 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.910 11.561 2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.488 13.211 2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.233 11.957 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.402 13.522 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.695 13.298 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.262 14.514 0.020 1.00 0.00 H new ATOM 1387 N ALA A 90 2.046 10.083 -0.114 1.00 0.00 N ATOM 1388 CA ALA A 90 2.085 8.679 -0.475 1.00 0.00 C ATOM 1389 C ALA A 90 3.518 8.324 -0.826 1.00 0.00 C ATOM 1390 O ALA A 90 3.964 7.197 -0.624 1.00 0.00 O ATOM 1391 CB ALA A 90 1.148 8.385 -1.636 1.00 0.00 C ATOM 0 H ALA A 90 1.559 10.682 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 90 1.746 8.071 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.198 7.325 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.127 8.644 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.446 8.975 -2.502 1.00 0.00 H new ATOM 1397 N TYR A 91 4.250 9.327 -1.312 1.00 0.00 N ATOM 1398 CA TYR A 91 5.650 9.156 -1.640 1.00 0.00 C ATOM 1399 C TYR A 91 6.416 8.949 -0.342 1.00 0.00 C ATOM 1400 O TYR A 91 7.212 8.019 -0.208 1.00 0.00 O ATOM 1401 CB TYR A 91 6.177 10.396 -2.372 1.00 0.00 C ATOM 1402 CG TYR A 91 7.423 10.150 -3.198 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.503 9.441 -2.683 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.520 10.637 -4.496 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.640 9.225 -3.439 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.653 10.423 -5.257 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.709 9.717 -4.725 1.00 0.00 C ATOM 1408 OH TYR A 91 10.840 9.503 -5.480 1.00 0.00 O ATOM 0 H TYR A 91 3.888 10.265 -1.485 1.00 0.00 H new ATOM 0 HA TYR A 91 5.780 8.295 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.392 10.779 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.389 11.174 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.453 9.053 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.695 11.193 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.471 8.673 -3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.710 10.808 -6.265 1.00 0.00 H new ATOM 0 HH TYR A 91 10.727 9.914 -6.363 1.00 0.00 H new ATOM 1418 N THR A 92 6.135 9.821 0.628 1.00 0.00 N ATOM 1419 CA THR A 92 6.766 9.744 1.935 1.00 0.00 C ATOM 1420 C THR A 92 6.393 8.445 2.634 1.00 0.00 C ATOM 1421 O THR A 92 7.234 7.788 3.245 1.00 0.00 O ATOM 1422 CB THR A 92 6.334 10.923 2.799 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.414 12.137 2.073 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.160 11.080 4.055 1.00 0.00 C ATOM 0 H THR A 92 5.471 10.589 0.527 1.00 0.00 H new ATOM 0 HA THR A 92 7.846 9.775 1.793 1.00 0.00 H new ATOM 0 HB THR A 92 5.305 10.706 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.131 12.880 2.646 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.799 11.937 4.623 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.073 10.179 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.205 11.237 3.786 1.00 0.00 H new ATOM 1432 N LEU A 93 5.119 8.083 2.541 1.00 0.00 N ATOM 1433 CA LEU A 93 4.631 6.865 3.164 1.00 0.00 C ATOM 1434 C LEU A 93 5.237 5.649 2.498 1.00 0.00 C ATOM 1435 O LEU A 93 5.777 4.766 3.167 1.00 0.00 O ATOM 1436 CB LEU A 93 3.106 6.793 3.107 1.00 0.00 C ATOM 1437 CG LEU A 93 2.471 5.858 4.137 1.00 0.00 C ATOM 1438 CD1 LEU A 93 0.989 6.160 4.287 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.687 4.403 3.744 1.00 0.00 C ATOM 0 H LEU A 93 4.408 8.617 2.040 1.00 0.00 H new ATOM 0 HA LEU A 93 4.933 6.879 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.703 7.796 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.808 6.469 2.110 1.00 0.00 H new ATOM 0 HG LEU A 93 2.954 6.026 5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.553 5.485 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.859 7.191 4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.490 6.021 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.228 3.753 4.489 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.232 4.218 2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.756 4.195 3.690 1.00 0.00 H new ATOM 1451 N LEU A 94 5.165 5.612 1.177 1.00 0.00 N ATOM 1452 CA LEU A 94 5.734 4.505 0.436 1.00 0.00 C ATOM 1453 C LEU A 94 7.257 4.541 0.537 1.00 0.00 C ATOM 1454 O LEU A 94 7.939 3.577 0.179 1.00 0.00 O ATOM 1455 CB LEU A 94 5.286 4.541 -1.031 1.00 0.00 C ATOM 1456 CG LEU A 94 5.115 3.175 -1.732 1.00 0.00 C ATOM 1457 CD1 LEU A 94 4.988 2.026 -0.742 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.905 3.202 -2.654 1.00 0.00 C ATOM 0 H LEU A 94 4.722 6.330 0.603 1.00 0.00 H new ATOM 0 HA LEU A 94 5.375 3.572 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.337 5.074 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.012 5.126 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 94 6.018 3.002 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.870 1.089 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.885 1.977 -0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.118 2.188 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.797 2.233 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.009 3.418 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.041 3.975 -3.410 1.00 0.00 H new ATOM 1470 N ASN A 95 7.788 5.653 1.053 1.00 0.00 N ATOM 1471 CA ASN A 95 9.231 5.799 1.222 1.00 0.00 C ATOM 1472 C ASN A 95 9.711 5.019 2.439 1.00 0.00 C ATOM 1473 O ASN A 95 10.492 4.075 2.318 1.00 0.00 O ATOM 1474 CB ASN A 95 9.613 7.275 1.359 1.00 0.00 C ATOM 1475 CG ASN A 95 11.111 7.476 1.467 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.742 7.029 2.426 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.690 8.150 0.481 1.00 0.00 N ATOM 0 H ASN A 95 7.242 6.459 1.358 1.00 0.00 H new ATOM 0 HA ASN A 95 9.717 5.395 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.236 7.827 0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.128 7.693 2.242 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.696 8.316 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.129 8.502 -0.294 1.00 0.00 H new ATOM 1484 N LYS A 96 9.235 5.421 3.615 1.00 0.00 N ATOM 1485 CA LYS A 96 9.612 4.762 4.860 1.00 0.00 C ATOM 1486 C LYS A 96 9.274 3.276 4.810 1.00 0.00 C ATOM 1487 O LYS A 96 10.044 2.441 5.280 1.00 0.00 O ATOM 1488 CB LYS A 96 8.901 5.420 6.046 1.00 0.00 C ATOM 1489 CG LYS A 96 9.811 6.303 6.885 1.00 0.00 C ATOM 1490 CD LYS A 96 9.549 7.779 6.630 1.00 0.00 C ATOM 1491 CE LYS A 96 10.816 8.604 6.787 1.00 0.00 C ATOM 1492 NZ LYS A 96 11.376 8.505 8.164 1.00 0.00 N ATOM 0 H LYS A 96 8.587 6.200 3.731 1.00 0.00 H new ATOM 0 HA LYS A 96 10.689 4.868 4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.069 6.018 5.674 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.476 4.643 6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.659 6.083 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 96 10.852 6.073 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.150 7.910 5.624 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.790 8.140 7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.561 8.266 6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.601 9.647 6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.168 9.171 8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.637 8.738 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.715 7.536 8.332 1.00 0.00 H new ATOM 1506 N ILE A 97 8.119 2.955 4.239 1.00 0.00 N ATOM 1507 CA ILE A 97 7.675 1.577 4.123 1.00 0.00 C ATOM 1508 C ILE A 97 8.662 0.746 3.315 1.00 0.00 C ATOM 1509 O ILE A 97 9.138 -0.285 3.777 1.00 0.00 O ATOM 1510 CB ILE A 97 6.284 1.530 3.476 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.649 0.159 3.589 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.334 1.944 2.027 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.253 0.140 3.015 1.00 0.00 C ATOM 0 H ILE A 97 7.471 3.638 3.847 1.00 0.00 H new ATOM 0 HA ILE A 97 7.620 1.150 5.124 1.00 0.00 H new ATOM 0 HB ILE A 97 5.668 2.240 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.267 -0.572 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.616 -0.141 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.332 1.899 1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.714 2.963 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.992 1.270 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.832 -0.860 3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.628 0.852 3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.289 0.415 1.961 1.00 0.00 H new ATOM 1525 N LEU A 98 8.974 1.204 2.108 1.00 0.00 N ATOM 1526 CA LEU A 98 9.916 0.491 1.255 1.00 0.00 C ATOM 1527 C LEU A 98 11.262 0.351 1.959 1.00 0.00 C ATOM 1528 O LEU A 98 11.831 -0.740 2.020 1.00 0.00 O ATOM 1529 CB LEU A 98 10.087 1.213 -0.085 1.00 0.00 C ATOM 1530 CG LEU A 98 9.528 0.467 -1.299 1.00 0.00 C ATOM 1531 CD1 LEU A 98 8.135 -0.075 -1.007 1.00 0.00 C ATOM 1532 CD2 LEU A 98 9.501 1.377 -2.517 1.00 0.00 C ATOM 0 H LEU A 98 8.592 2.058 1.701 1.00 0.00 H new ATOM 0 HA LEU A 98 9.518 -0.504 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.601 2.186 -0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.149 1.397 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 98 10.184 -0.377 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.758 -0.601 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.182 -0.763 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.467 0.751 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.101 0.830 -3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.870 2.241 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.513 1.712 -2.743 1.00 0.00 H new ATOM 1544 N ASP A 99 11.747 1.454 2.521 1.00 0.00 N ATOM 1545 CA ASP A 99 13.008 1.442 3.251 1.00 0.00 C ATOM 1546 C ASP A 99 12.860 0.564 4.482 1.00 0.00 C ATOM 1547 O ASP A 99 13.820 -0.038 4.960 1.00 0.00 O ATOM 1548 CB ASP A 99 13.407 2.861 3.658 1.00 0.00 C ATOM 1549 CG ASP A 99 14.907 3.079 3.601 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.615 2.575 4.498 1.00 0.00 O ATOM 1551 OD2 ASP A 99 15.374 3.755 2.660 1.00 0.00 O ATOM 0 H ASP A 99 11.287 2.364 2.485 1.00 0.00 H new ATOM 0 HA ASP A 99 13.792 1.042 2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.913 3.577 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.052 3.059 4.669 1.00 0.00 H new ATOM 1556 N GLU A 100 11.627 0.486 4.966 1.00 0.00 N ATOM 1557 CA GLU A 100 11.293 -0.326 6.120 1.00 0.00 C ATOM 1558 C GLU A 100 11.203 -1.788 5.708 1.00 0.00 C ATOM 1559 O GLU A 100 11.495 -2.689 6.495 1.00 0.00 O ATOM 1560 CB GLU A 100 9.970 0.151 6.718 1.00 0.00 C ATOM 1561 CG GLU A 100 9.422 -0.761 7.805 1.00 0.00 C ATOM 1562 CD GLU A 100 10.330 -0.833 9.018 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.738 0.237 9.519 1.00 0.00 O ATOM 1564 OE2 GLU A 100 10.634 -1.957 9.467 1.00 0.00 O ATOM 0 H GLU A 100 10.833 0.986 4.566 1.00 0.00 H new ATOM 0 HA GLU A 100 12.071 -0.227 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 100 10.108 1.150 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 100 9.231 0.235 5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.439 -0.404 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.285 -1.763 7.398 1.00 0.00 H new ATOM 1571 N TYR A 101 10.818 -2.012 4.454 1.00 0.00 N ATOM 1572 CA TYR A 101 10.713 -3.356 3.919 1.00 0.00 C ATOM 1573 C TYR A 101 12.104 -3.963 3.787 1.00 0.00 C ATOM 1574 O TYR A 101 12.276 -5.175 3.894 1.00 0.00 O ATOM 1575 CB TYR A 101 10.011 -3.348 2.560 1.00 0.00 C ATOM 1576 CG TYR A 101 9.401 -4.683 2.205 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.155 -5.662 1.572 1.00 0.00 C ATOM 1578 CD2 TYR A 101 8.077 -4.971 2.515 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.608 -6.890 1.258 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.523 -6.197 2.202 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.293 -7.152 1.575 1.00 0.00 C ATOM 1582 OH TYR A 101 7.751 -8.376 1.267 1.00 0.00 O ATOM 0 H TYR A 101 10.574 -1.275 3.793 1.00 0.00 H new ATOM 0 HA TYR A 101 10.118 -3.959 4.604 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.230 -2.587 2.565 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.727 -3.065 1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.186 -5.460 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.472 -4.225 3.008 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.208 -7.642 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.492 -6.406 2.447 1.00 0.00 H new ATOM 0 HH TYR A 101 7.306 -8.745 2.058 1.00 0.00 H new ATOM 1592 N LEU A 102 13.096 -3.102 3.556 1.00 0.00 N ATOM 1593 CA LEU A 102 14.478 -3.549 3.415 1.00 0.00 C ATOM 1594 C LEU A 102 15.075 -3.930 4.768 1.00 0.00 C ATOM 1595 O LEU A 102 15.985 -4.755 4.841 1.00 0.00 O ATOM 1596 CB LEU A 102 15.347 -2.466 2.768 1.00 0.00 C ATOM 1597 CG LEU A 102 14.632 -1.539 1.786 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.630 -0.602 1.126 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.879 -2.345 0.738 1.00 0.00 C ATOM 0 H LEU A 102 12.967 -2.095 3.463 1.00 0.00 H new ATOM 0 HA LEU A 102 14.465 -4.428 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.785 -1.858 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.171 -2.952 2.246 1.00 0.00 H new ATOM 0 HG LEU A 102 13.908 -0.941 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 102 15.108 0.053 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.124 -0.000 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.375 -1.186 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.377 -1.666 0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.581 -2.969 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.139 -2.978 1.228 1.00 0.00 H new ATOM 1611 N VAL A 103 14.572 -3.317 5.835 1.00 0.00 N ATOM 1612 CA VAL A 103 15.077 -3.598 7.174 1.00 0.00 C ATOM 1613 C VAL A 103 14.653 -4.979 7.649 1.00 0.00 C ATOM 1614 O VAL A 103 15.483 -5.768 8.101 1.00 0.00 O ATOM 1615 CB VAL A 103 14.607 -2.554 8.201 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.725 -3.115 9.610 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.405 -1.266 8.061 1.00 0.00 C ATOM 0 H VAL A 103 13.821 -2.628 5.799 1.00 0.00 H new ATOM 0 HA VAL A 103 16.164 -3.555 7.102 1.00 0.00 H new ATOM 0 HB VAL A 103 13.559 -2.322 8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.390 -2.367 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.106 -4.008 9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.764 -3.373 9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.057 -0.541 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.462 -1.473 8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.268 -0.860 7.059 1.00 0.00 H new ATOM 1627 N ALA A 104 13.358 -5.266 7.547 1.00 0.00 N ATOM 1628 CA ALA A 104 12.824 -6.559 7.967 1.00 0.00 C ATOM 1629 C ALA A 104 13.701 -7.704 7.463 1.00 0.00 C ATOM 1630 O ALA A 104 13.669 -8.811 8.001 1.00 0.00 O ATOM 1631 CB ALA A 104 11.397 -6.721 7.467 1.00 0.00 C ATOM 0 H ALA A 104 12.659 -4.621 7.177 1.00 0.00 H new ATOM 0 HA ALA A 104 12.823 -6.593 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.008 -7.688 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.775 -5.926 7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.384 -6.665 6.379 1.00 0.00 H new ATOM 1637 N HIS A 105 14.481 -7.420 6.425 1.00 0.00 N ATOM 1638 CA HIS A 105 15.369 -8.400 5.833 1.00 0.00 C ATOM 1639 C HIS A 105 16.264 -7.732 4.787 1.00 0.00 C ATOM 1640 O HIS A 105 15.775 -6.991 3.936 1.00 0.00 O ATOM 1641 CB HIS A 105 14.563 -9.534 5.192 1.00 0.00 C ATOM 1642 CG HIS A 105 13.255 -9.094 4.597 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.722 -7.856 4.433 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 12.329 -9.976 4.082 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.500 -8.016 3.828 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.286 -9.303 3.627 1.00 0.00 N flip ATOM 0 H HIS A 105 14.512 -6.505 5.975 1.00 0.00 H new ATOM 0 HA HIS A 105 15.996 -8.822 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.167 -9.999 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.369 -10.299 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.439 -11.050 4.055 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.823 -7.218 3.560 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.457 -9.709 3.194 1.00 0.00 H new ATOM 1655 N PRO A 106 17.589 -7.974 4.850 1.00 0.00 N ATOM 1656 CA PRO A 106 18.567 -7.394 3.928 1.00 0.00 C ATOM 1657 C PRO A 106 18.023 -7.126 2.527 1.00 0.00 C ATOM 1658 O PRO A 106 17.071 -7.763 2.076 1.00 0.00 O ATOM 1659 CB PRO A 106 19.651 -8.465 3.895 1.00 0.00 C ATOM 1660 CG PRO A 106 19.630 -9.077 5.261 1.00 0.00 C ATOM 1661 CD PRO A 106 18.254 -8.832 5.845 1.00 0.00 C ATOM 0 HA PRO A 106 18.901 -6.410 4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.447 -9.210 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.626 -8.033 3.671 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.839 -10.145 5.206 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.400 -8.633 5.892 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.711 -9.766 5.992 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.315 -8.342 6.817 1.00 0.00 H new ATOM 1669 N LYS A 107 18.637 -6.159 1.852 1.00 0.00 N ATOM 1670 CA LYS A 107 18.234 -5.762 0.506 1.00 0.00 C ATOM 1671 C LYS A 107 18.021 -6.959 -0.421 1.00 0.00 C ATOM 1672 O LYS A 107 16.923 -7.170 -0.934 1.00 0.00 O ATOM 1673 CB LYS A 107 19.273 -4.816 -0.102 1.00 0.00 C ATOM 1674 CG LYS A 107 20.714 -5.188 0.224 1.00 0.00 C ATOM 1675 CD LYS A 107 21.514 -5.483 -1.035 1.00 0.00 C ATOM 1676 CE LYS A 107 22.919 -4.905 -0.954 1.00 0.00 C ATOM 1677 NZ LYS A 107 23.136 -3.829 -1.959 1.00 0.00 N ATOM 0 H LYS A 107 19.426 -5.629 2.221 1.00 0.00 H new ATOM 0 HA LYS A 107 17.277 -5.249 0.602 1.00 0.00 H new ATOM 0 HB2 LYS A 107 19.148 -4.803 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.080 -3.804 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 107 21.186 -4.373 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 107 20.726 -6.061 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.572 -6.561 -1.186 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.998 -5.067 -1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 107 23.091 -4.507 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 107 23.648 -5.700 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 24.105 -3.462 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 22.997 -4.214 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 22.457 -3.058 -1.794 1.00 0.00 H new ATOM 1691 N GLU A 108 19.080 -7.725 -0.655 1.00 0.00 N ATOM 1692 CA GLU A 108 19.006 -8.879 -1.544 1.00 0.00 C ATOM 1693 C GLU A 108 18.250 -10.044 -0.912 1.00 0.00 C ATOM 1694 O GLU A 108 17.669 -10.867 -1.620 1.00 0.00 O ATOM 1695 CB GLU A 108 20.413 -9.328 -1.943 1.00 0.00 C ATOM 1696 CG GLU A 108 20.539 -9.702 -3.412 1.00 0.00 C ATOM 1697 CD GLU A 108 20.130 -11.136 -3.685 1.00 0.00 C ATOM 1698 OE1 GLU A 108 20.122 -11.942 -2.731 1.00 0.00 O ATOM 1699 OE2 GLU A 108 19.817 -11.451 -4.852 1.00 0.00 O ATOM 0 H GLU A 108 19.999 -7.568 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 108 18.454 -8.570 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.118 -8.528 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.699 -10.185 -1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 108 19.920 -9.032 -4.008 1.00 0.00 H new ATOM 0 HG3 GLU A 108 21.570 -9.554 -3.734 1.00 0.00 H new ATOM 1706 N GLU A 109 18.263 -10.120 0.418 1.00 0.00 N ATOM 1707 CA GLU A 109 17.579 -11.200 1.130 1.00 0.00 C ATOM 1708 C GLU A 109 16.203 -11.477 0.529 1.00 0.00 C ATOM 1709 O GLU A 109 15.824 -12.631 0.327 1.00 0.00 O ATOM 1710 CB GLU A 109 17.439 -10.861 2.617 1.00 0.00 C ATOM 1711 CG GLU A 109 16.511 -11.802 3.369 1.00 0.00 C ATOM 1712 CD GLU A 109 16.813 -11.861 4.854 1.00 0.00 C ATOM 1713 OE1 GLU A 109 18.007 -11.856 5.217 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.855 -11.913 5.653 1.00 0.00 O ATOM 0 H GLU A 109 18.738 -9.450 1.023 1.00 0.00 H new ATOM 0 HA GLU A 109 18.186 -12.099 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.425 -10.887 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.067 -9.841 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.480 -11.480 3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.595 -12.803 2.946 1.00 0.00 H new ATOM 1721 N TRP A 110 15.462 -10.413 0.241 1.00 0.00 N ATOM 1722 CA TRP A 110 14.131 -10.551 -0.343 1.00 0.00 C ATOM 1723 C TRP A 110 14.202 -10.594 -1.862 1.00 0.00 C ATOM 1724 O TRP A 110 13.756 -11.554 -2.490 1.00 0.00 O ATOM 1725 CB TRP A 110 13.203 -9.408 0.093 1.00 0.00 C ATOM 1726 CG TRP A 110 13.889 -8.117 0.430 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.341 -7.729 1.655 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.176 -7.034 -0.465 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.886 -6.471 1.580 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.798 -6.024 0.288 1.00 0.00 C ATOM 1731 CE3 TRP A 110 13.969 -6.821 -1.830 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.210 -4.819 -0.277 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.380 -5.627 -2.391 1.00 0.00 C ATOM 1734 CH2 TRP A 110 14.993 -4.639 -1.614 1.00 0.00 C ATOM 0 H TRP A 110 15.757 -9.450 0.401 1.00 0.00 H new ATOM 0 HA TRP A 110 13.720 -11.492 0.022 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.485 -9.221 -0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.634 -9.736 0.963 1.00 0.00 H new ATOM 0 HD1 TRP A 110 14.280 -8.324 2.554 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.291 -5.953 2.360 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.495 -7.578 -2.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.684 -4.054 0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.225 -5.454 -3.446 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.301 -3.715 -2.080 1.00 0.00 H new ATOM 1745 N ALA A 111 14.756 -9.538 -2.447 1.00 0.00 N ATOM 1746 CA ALA A 111 14.884 -9.427 -3.901 1.00 0.00 C ATOM 1747 C ALA A 111 13.595 -9.836 -4.619 1.00 0.00 C ATOM 1748 O ALA A 111 13.624 -10.180 -5.799 1.00 0.00 O ATOM 1749 CB ALA A 111 16.041 -10.283 -4.383 1.00 0.00 C ATOM 0 H ALA A 111 15.128 -8.739 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 111 15.077 -8.381 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.131 -10.196 -5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.965 -9.944 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.859 -11.324 -4.116 1.00 0.00 H new ATOM 1755 N ASP A 112 12.478 -9.795 -3.886 1.00 0.00 N ATOM 1756 CA ASP A 112 11.151 -10.162 -4.393 1.00 0.00 C ATOM 1757 C ASP A 112 10.377 -10.856 -3.293 1.00 0.00 C ATOM 1758 O ASP A 112 9.160 -10.716 -3.177 1.00 0.00 O ATOM 1759 CB ASP A 112 11.219 -11.088 -5.613 1.00 0.00 C ATOM 1760 CG ASP A 112 12.086 -12.313 -5.378 1.00 0.00 C ATOM 1761 OD1 ASP A 112 11.801 -13.070 -4.427 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.045 -12.517 -6.150 1.00 0.00 O ATOM 0 H ASP A 112 12.470 -9.502 -2.909 1.00 0.00 H new ATOM 0 HA ASP A 112 10.656 -9.243 -4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.211 -11.408 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 112 11.610 -10.531 -6.464 1.00 0.00 H new ATOM 1767 N VAL A 113 11.109 -11.594 -2.477 1.00 0.00 N ATOM 1768 CA VAL A 113 10.537 -12.311 -1.364 1.00 0.00 C ATOM 1769 C VAL A 113 9.592 -13.400 -1.825 1.00 0.00 C ATOM 1770 O VAL A 113 8.454 -13.129 -2.210 1.00 0.00 O ATOM 1771 CB VAL A 113 9.766 -11.394 -0.393 1.00 0.00 C ATOM 1772 CG1 VAL A 113 10.001 -11.843 1.030 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.148 -9.934 -0.554 1.00 0.00 C ATOM 0 H VAL A 113 12.118 -11.710 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 113 11.388 -12.747 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 113 8.706 -11.476 -0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.454 -11.192 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.653 -12.869 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.066 -11.793 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.578 -9.329 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.213 -9.813 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 113 9.927 -9.610 -1.571 1.00 0.00 H new ATOM 1920 N LYS A 123 4.077 -3.779 10.659 1.00 0.00 N ATOM 1921 CA LYS A 123 3.496 -2.906 11.676 1.00 0.00 C ATOM 1922 C LYS A 123 3.699 -1.436 11.313 1.00 0.00 C ATOM 1923 O LYS A 123 2.913 -0.574 11.708 1.00 0.00 O ATOM 1924 CB LYS A 123 4.116 -3.198 13.043 1.00 0.00 C ATOM 1925 CG LYS A 123 3.691 -4.532 13.632 1.00 0.00 C ATOM 1926 CD LYS A 123 3.679 -4.492 15.151 1.00 0.00 C ATOM 1927 CE LYS A 123 2.546 -5.329 15.724 1.00 0.00 C ATOM 1928 NZ LYS A 123 1.751 -4.574 16.730 1.00 0.00 N ATOM 0 HA LYS A 123 2.425 -3.105 11.722 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.202 -3.181 12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 123 3.842 -2.401 13.734 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.698 -4.793 13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 123 4.371 -5.314 13.293 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.632 -4.858 15.533 1.00 0.00 H new ATOM 0 HD3 LYS A 123 3.576 -3.460 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.892 -5.656 14.916 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.956 -6.227 16.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.989 -5.180 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 2.369 -4.284 17.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.338 -3.730 16.284 1.00 0.00 H new ATOM 1942 N GLN A 124 4.757 -1.161 10.556 1.00 0.00 N ATOM 1943 CA GLN A 124 5.068 0.199 10.135 1.00 0.00 C ATOM 1944 C GLN A 124 3.972 0.763 9.238 1.00 0.00 C ATOM 1945 O GLN A 124 3.169 1.593 9.665 1.00 0.00 O ATOM 1946 CB GLN A 124 6.405 0.226 9.396 1.00 0.00 C ATOM 1947 CG GLN A 124 7.504 0.945 10.161 1.00 0.00 C ATOM 1948 CD GLN A 124 7.453 2.449 9.978 1.00 0.00 C ATOM 1949 OE1 GLN A 124 8.166 3.009 9.146 1.00 0.00 O ATOM 1950 NE2 GLN A 124 6.608 3.113 10.759 1.00 0.00 N ATOM 0 H GLN A 124 5.415 -1.865 10.221 1.00 0.00 H new ATOM 0 HA GLN A 124 5.133 0.821 11.028 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.722 -0.798 9.196 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.268 0.712 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.418 0.709 11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.474 0.575 9.830 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.035 2.609 11.436 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.532 4.127 10.682 1.00 0.00 H new ATOM 1959 N LEU A 125 3.949 0.308 7.988 1.00 0.00 N ATOM 1960 CA LEU A 125 2.960 0.767 7.018 1.00 0.00 C ATOM 1961 C LEU A 125 1.556 0.739 7.602 1.00 0.00 C ATOM 1962 O LEU A 125 0.725 1.587 7.278 1.00 0.00 O ATOM 1963 CB LEU A 125 3.012 -0.101 5.759 1.00 0.00 C ATOM 1964 CG LEU A 125 2.479 -1.527 5.922 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.001 -1.593 5.571 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.272 -2.493 5.055 1.00 0.00 C ATOM 0 H LEU A 125 4.607 -0.381 7.623 1.00 0.00 H new ATOM 0 HA LEU A 125 3.202 1.798 6.759 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.442 0.394 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.046 -0.154 5.417 1.00 0.00 H new ATOM 0 HG LEU A 125 2.597 -1.818 6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.643 -2.615 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.440 -0.931 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 125 0.858 -1.281 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.880 -3.502 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.184 -2.199 4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.321 -2.471 5.351 1.00 0.00 H new ATOM 1978 N ASP A 126 1.293 -0.243 8.455 1.00 0.00 N ATOM 1979 CA ASP A 126 -0.023 -0.378 9.071 1.00 0.00 C ATOM 1980 C ASP A 126 -0.389 0.872 9.859 1.00 0.00 C ATOM 1981 O ASP A 126 -1.405 1.513 9.591 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.069 -1.601 9.987 1.00 0.00 C ATOM 1983 CG ASP A 126 0.337 -2.876 9.275 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -0.059 -3.054 8.104 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.051 -3.697 9.889 1.00 0.00 O ATOM 0 H ASP A 126 1.968 -0.954 8.735 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.751 -0.509 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.592 -1.438 10.838 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.078 -1.716 10.384 1.00 0.00 H new ATOM 1990 N THR A 127 0.446 1.214 10.831 1.00 0.00 N ATOM 1991 CA THR A 127 0.211 2.389 11.658 1.00 0.00 C ATOM 1992 C THR A 127 0.177 3.654 10.807 1.00 0.00 C ATOM 1993 O THR A 127 -0.498 4.625 11.151 1.00 0.00 O ATOM 1994 CB THR A 127 1.299 2.510 12.728 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.378 1.323 13.498 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.075 3.663 13.681 1.00 0.00 C ATOM 0 H THR A 127 1.292 0.694 11.066 1.00 0.00 H new ATOM 0 HA THR A 127 -0.757 2.273 12.145 1.00 0.00 H new ATOM 0 HB THR A 127 2.225 2.688 12.181 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.878 0.643 13.000 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.882 3.692 14.413 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.059 4.599 13.122 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.123 3.531 14.195 1.00 0.00 H new ATOM 2004 N TYR A 128 0.900 3.634 9.691 1.00 0.00 N ATOM 2005 CA TYR A 128 0.946 4.780 8.797 1.00 0.00 C ATOM 2006 C TYR A 128 -0.391 4.959 8.099 1.00 0.00 C ATOM 2007 O TYR A 128 -1.032 6.001 8.223 1.00 0.00 O ATOM 2008 CB TYR A 128 2.059 4.606 7.762 1.00 0.00 C ATOM 2009 CG TYR A 128 3.382 5.204 8.190 1.00 0.00 C ATOM 2010 CD1 TYR A 128 3.443 6.477 8.742 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.568 4.496 8.040 1.00 0.00 C ATOM 2012 CE1 TYR A 128 4.649 7.029 9.133 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.777 5.041 8.429 1.00 0.00 C ATOM 2014 CZ TYR A 128 5.812 6.307 8.974 1.00 0.00 C ATOM 2015 OH TYR A 128 7.015 6.851 9.363 1.00 0.00 O ATOM 0 H TYR A 128 1.460 2.837 9.387 1.00 0.00 H new ATOM 0 HA TYR A 128 1.155 5.671 9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.197 3.543 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 128 1.748 5.067 6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 128 2.533 7.045 8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.545 3.504 7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 128 4.679 8.020 9.561 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.690 4.478 8.307 1.00 0.00 H new ATOM 0 HH TYR A 128 7.736 6.212 9.184 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.811 3.930 7.375 1.00 0.00 N ATOM 2026 CA ILE A 129 -2.072 3.966 6.665 1.00 0.00 C ATOM 2027 C ILE A 129 -3.231 4.257 7.615 1.00 0.00 C ATOM 2028 O ILE A 129 -4.279 4.752 7.198 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.333 2.637 5.937 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.636 2.738 5.140 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.378 1.485 6.930 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.808 2.108 5.838 1.00 0.00 C ATOM 0 H ILE A 129 -0.291 3.059 7.267 1.00 0.00 H new ATOM 0 HA ILE A 129 -2.006 4.769 5.930 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.517 2.438 5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.857 3.788 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.499 2.260 4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.564 0.552 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.425 1.420 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.178 1.657 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.700 2.214 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.606 1.050 6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.970 2.602 6.796 1.00 0.00 H new ATOM 2044 N SER A 130 -3.039 3.934 8.888 1.00 0.00 N ATOM 2045 CA SER A 130 -4.067 4.146 9.895 1.00 0.00 C ATOM 2046 C SER A 130 -4.269 5.630 10.199 1.00 0.00 C ATOM 2047 O SER A 130 -5.381 6.146 10.085 1.00 0.00 O ATOM 2048 CB SER A 130 -3.706 3.387 11.173 1.00 0.00 C ATOM 2049 OG SER A 130 -4.372 3.929 12.301 1.00 0.00 O ATOM 0 H SER A 130 -2.177 3.523 9.247 1.00 0.00 H new ATOM 0 HA SER A 130 -5.008 3.764 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.972 2.336 11.061 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.628 3.428 11.330 1.00 0.00 H new ATOM 0 HG SER A 130 -4.123 3.423 13.102 1.00 0.00 H new ATOM 2055 N LYS A 131 -3.199 6.309 10.598 1.00 0.00 N ATOM 2056 CA LYS A 131 -3.285 7.732 10.928 1.00 0.00 C ATOM 2057 C LYS A 131 -3.341 8.603 9.673 1.00 0.00 C ATOM 2058 O LYS A 131 -3.900 9.699 9.695 1.00 0.00 O ATOM 2059 CB LYS A 131 -2.111 8.154 11.822 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.833 8.504 11.068 1.00 0.00 C ATOM 2061 CD LYS A 131 0.274 7.513 11.367 1.00 0.00 C ATOM 2062 CE LYS A 131 1.280 8.086 12.350 1.00 0.00 C ATOM 2063 NZ LYS A 131 0.961 7.705 13.754 1.00 0.00 N ATOM 0 H LYS A 131 -2.269 5.904 10.701 1.00 0.00 H new ATOM 0 HA LYS A 131 -4.215 7.883 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -2.415 9.016 12.415 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.895 7.346 12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -1.033 8.517 9.997 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.509 9.508 11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -0.155 6.598 11.775 1.00 0.00 H new ATOM 0 HD3 LYS A 131 0.781 7.242 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 131 2.279 7.732 12.095 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.295 9.172 12.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 1.670 8.115 14.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 0.018 8.065 14.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 0.972 6.669 13.843 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.759 8.112 8.582 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.747 8.855 7.327 1.00 0.00 C ATOM 2079 C TYR A 132 -4.162 9.088 6.802 1.00 0.00 C ATOM 2080 O TYR A 132 -4.370 9.906 5.907 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.886 8.146 6.285 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.488 8.721 6.192 1.00 0.00 C ATOM 2083 CD1 TYR A 132 -0.277 10.009 5.712 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.619 7.983 6.590 1.00 0.00 C ATOM 2085 CE1 TYR A 132 0.995 10.541 5.630 1.00 0.00 C ATOM 2086 CE2 TYR A 132 1.895 8.509 6.512 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.078 9.788 6.031 1.00 0.00 C ATOM 2088 OH TYR A 132 3.346 10.315 5.952 1.00 0.00 O ATOM 0 H TYR A 132 -2.291 7.206 8.542 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.306 9.832 7.524 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.823 7.086 6.532 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.369 8.218 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.122 10.603 5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.481 6.980 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.141 11.543 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.744 7.921 6.826 1.00 0.00 H new ATOM 0 HH TYR A 132 3.995 9.655 6.275 1.00 0.00 H new ATOM 2098 N GLN A 133 -5.133 8.375 7.372 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.535 8.515 6.972 1.00 0.00 C ATOM 2100 C GLN A 133 -6.923 9.982 6.781 1.00 0.00 C ATOM 2101 O GLN A 133 -7.811 10.297 5.990 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.446 7.867 8.020 1.00 0.00 C ATOM 2103 CG GLN A 133 -8.227 6.673 7.494 1.00 0.00 C ATOM 2104 CD GLN A 133 -9.688 6.708 7.900 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -10.017 6.977 9.056 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -10.574 6.435 6.949 1.00 0.00 N ATOM 0 H GLN A 133 -4.975 7.693 8.114 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.660 8.008 6.015 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -6.840 7.549 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.147 8.614 8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -8.156 6.648 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -7.772 5.754 7.865 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -10.257 6.217 6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.571 6.443 7.163 1.00 0.00 H new