USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 483 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD NoAdj-H: A 1 LEU H3 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 51 SER OG : rot 171:sc= 0.168 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -120:sc= 0.207 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ 128:sc= 1.15 (180deg=-0.466) USER MOD Single : A 2 THR OG1 : rot 87:sc= -0.125 USER MOD Single : A 4 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot -170:sc= 0.74 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= -0.013 (180deg=-0.0848) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.389 F(o=-2!,f=-0.39) USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.949 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -175:sc= -0.985 USER MOD Single : A 33 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 48 THR OG1 : rot 105:sc= 1.34 USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.815) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc=-0.00876 (180deg=-0.183) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0302 (180deg=-0.243) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.038 -3.219 1.019 1.00 0.00 N ATOM 2 CA LEU A 1 4.763 -3.918 0.982 1.00 0.00 C ATOM 3 C LEU A 1 4.969 -5.368 0.648 1.00 0.00 C ATOM 4 O LEU A 1 4.559 -6.248 1.395 1.00 0.00 O ATOM 5 CB LEU A 1 3.835 -3.292 -0.060 1.00 0.00 C ATOM 6 CG LEU A 1 3.273 -1.909 0.248 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.596 -1.358 -0.981 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.273 -1.985 1.390 1.00 0.00 C ATOM 0 H1 LEU A 1 5.989 -2.375 0.413 1.00 0.00 H new ATOM 0 HA LEU A 1 4.306 -3.833 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.377 -3.234 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.996 -3.970 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 1 4.092 -1.253 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.194 -0.369 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.320 -1.284 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.784 -2.022 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.881 -0.989 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.453 -2.647 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.767 -2.373 2.281 1.00 0.00 H new ATOM 20 N THR A 2 5.649 -5.608 -0.442 1.00 0.00 N ATOM 21 CA THR A 2 5.911 -6.939 -0.903 1.00 0.00 C ATOM 22 C THR A 2 6.675 -7.754 0.142 1.00 0.00 C ATOM 23 O THR A 2 6.292 -8.885 0.428 1.00 0.00 O ATOM 24 CB THR A 2 6.664 -6.904 -2.248 1.00 0.00 C ATOM 25 OG1 THR A 2 5.828 -6.343 -3.272 1.00 0.00 O ATOM 26 CG2 THR A 2 7.150 -8.274 -2.653 1.00 0.00 C ATOM 0 H THR A 2 6.038 -4.877 -1.037 1.00 0.00 H new ATOM 0 HA THR A 2 4.954 -7.437 -1.061 1.00 0.00 H new ATOM 0 HB THR A 2 7.542 -6.271 -2.120 1.00 0.00 H new ATOM 0 HG1 THR A 2 5.917 -5.367 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.675 -8.207 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.828 -8.660 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.298 -8.947 -2.755 1.00 0.00 H new ATOM 34 N ALA A 3 7.690 -7.143 0.727 1.00 0.00 N ATOM 35 CA ALA A 3 8.542 -7.789 1.727 1.00 0.00 C ATOM 36 C ALA A 3 7.770 -8.178 2.992 1.00 0.00 C ATOM 37 O ALA A 3 7.907 -9.290 3.495 1.00 0.00 O ATOM 38 CB ALA A 3 9.697 -6.869 2.095 1.00 0.00 C ATOM 0 H ALA A 3 7.953 -6.179 0.525 1.00 0.00 H new ATOM 0 HA ALA A 3 8.921 -8.708 1.281 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.327 -7.356 2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.288 -6.653 1.205 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.305 -5.938 2.505 1.00 0.00 H new ATOM 44 N ASN A 4 6.948 -7.273 3.471 1.00 0.00 N ATOM 45 CA ASN A 4 6.226 -7.469 4.733 1.00 0.00 C ATOM 46 C ASN A 4 4.995 -8.311 4.564 1.00 0.00 C ATOM 47 O ASN A 4 4.712 -9.192 5.379 1.00 0.00 O ATOM 48 CB ASN A 4 5.855 -6.125 5.377 1.00 0.00 C ATOM 49 CG ASN A 4 7.026 -5.437 6.038 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.256 -5.603 7.232 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.770 -4.673 5.288 1.00 0.00 N ATOM 0 H ASN A 4 6.754 -6.384 3.011 1.00 0.00 H new ATOM 0 HA ASN A 4 6.907 -8.004 5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.439 -5.467 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.073 -6.289 6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.573 -4.190 5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.549 -4.558 4.299 1.00 0.00 H new ATOM 58 N LEU A 5 4.271 -8.063 3.512 1.00 0.00 N ATOM 59 CA LEU A 5 3.023 -8.746 3.286 1.00 0.00 C ATOM 60 C LEU A 5 3.256 -10.065 2.576 1.00 0.00 C ATOM 61 O LEU A 5 2.469 -10.995 2.709 1.00 0.00 O ATOM 62 CB LEU A 5 2.114 -7.865 2.446 1.00 0.00 C ATOM 63 CG LEU A 5 1.851 -6.459 2.990 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.154 -5.627 1.943 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.033 -6.506 4.274 1.00 0.00 C ATOM 0 H LEU A 5 4.523 -7.388 2.790 1.00 0.00 H new ATOM 0 HA LEU A 5 2.554 -8.951 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.549 -7.772 1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.156 -8.373 2.329 1.00 0.00 H new ATOM 0 HG LEU A 5 2.809 -5.998 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.969 -4.627 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.783 -5.558 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.205 -6.094 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.863 -5.491 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.074 -6.986 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.575 -7.074 5.030 1.00 0.00 H new ATOM 77 N GLY A 6 4.334 -10.148 1.824 1.00 0.00 N ATOM 78 CA GLY A 6 4.617 -11.360 1.089 1.00 0.00 C ATOM 79 C GLY A 6 3.725 -11.433 -0.113 1.00 0.00 C ATOM 80 O GLY A 6 3.156 -12.483 -0.431 1.00 0.00 O ATOM 0 H GLY A 6 5.019 -9.401 1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.663 -11.376 0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.459 -12.230 1.726 1.00 0.00 H new ATOM 84 N ILE A 7 3.594 -10.314 -0.777 1.00 0.00 N ATOM 85 CA ILE A 7 2.677 -10.208 -1.900 1.00 0.00 C ATOM 86 C ILE A 7 3.404 -10.135 -3.221 1.00 0.00 C ATOM 87 O ILE A 7 4.635 -10.122 -3.271 1.00 0.00 O ATOM 88 CB ILE A 7 1.708 -9.000 -1.777 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.479 -7.681 -1.601 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.709 -9.218 -0.649 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.603 -6.445 -1.595 1.00 0.00 C ATOM 0 H ILE A 7 4.108 -9.459 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 7 2.084 -11.122 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 7 1.146 -8.924 -2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.037 -7.722 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.210 -7.591 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.042 -8.359 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.125 -10.116 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.244 -9.335 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.225 -5.559 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.064 -6.376 -2.540 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.889 -6.509 -0.774 1.00 0.00 H new ATOM 103 N SER A 8 2.646 -10.090 -4.275 1.00 0.00 N ATOM 104 CA SER A 8 3.179 -9.997 -5.592 1.00 0.00 C ATOM 105 C SER A 8 3.638 -8.569 -5.877 1.00 0.00 C ATOM 106 O SER A 8 3.339 -7.625 -5.111 1.00 0.00 O ATOM 107 CB SER A 8 2.092 -10.389 -6.579 1.00 0.00 C ATOM 108 OG SER A 8 0.964 -9.530 -6.451 1.00 0.00 O ATOM 0 H SER A 8 1.627 -10.117 -4.239 1.00 0.00 H new ATOM 0 HA SER A 8 4.037 -10.662 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.481 -10.338 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.791 -11.422 -6.405 1.00 0.00 H new ATOM 0 HG SER A 8 0.218 -9.889 -6.976 1.00 0.00 H new ATOM 114 N SER A 9 4.345 -8.403 -6.966 1.00 0.00 N ATOM 115 CA SER A 9 4.756 -7.106 -7.409 1.00 0.00 C ATOM 116 C SER A 9 3.517 -6.383 -7.974 1.00 0.00 C ATOM 117 O SER A 9 3.442 -5.147 -7.983 1.00 0.00 O ATOM 118 CB SER A 9 5.855 -7.254 -8.477 1.00 0.00 C ATOM 119 OG SER A 9 6.483 -6.010 -8.782 1.00 0.00 O ATOM 0 H SER A 9 4.650 -9.168 -7.568 1.00 0.00 H new ATOM 0 HA SER A 9 5.169 -6.521 -6.587 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.606 -7.962 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.422 -7.673 -9.386 1.00 0.00 H new ATOM 0 HG SER A 9 7.174 -6.151 -9.462 1.00 0.00 H new ATOM 125 N TYR A 10 2.545 -7.180 -8.427 1.00 0.00 N ATOM 126 CA TYR A 10 1.281 -6.686 -8.951 1.00 0.00 C ATOM 127 C TYR A 10 0.526 -5.983 -7.840 1.00 0.00 C ATOM 128 O TYR A 10 0.231 -4.789 -7.935 1.00 0.00 O ATOM 129 CB TYR A 10 0.440 -7.872 -9.466 1.00 0.00 C ATOM 130 CG TYR A 10 -0.822 -7.519 -10.242 1.00 0.00 C ATOM 131 CD1 TYR A 10 -1.959 -7.012 -9.615 1.00 0.00 C ATOM 132 CD2 TYR A 10 -0.875 -7.718 -11.608 1.00 0.00 C ATOM 133 CE1 TYR A 10 -3.096 -6.718 -10.336 1.00 0.00 C ATOM 134 CE2 TYR A 10 -2.007 -7.435 -12.330 1.00 0.00 C ATOM 135 CZ TYR A 10 -3.111 -6.935 -11.694 1.00 0.00 C ATOM 136 OH TYR A 10 -4.240 -6.659 -12.421 1.00 0.00 O ATOM 0 H TYR A 10 2.621 -8.197 -8.438 1.00 0.00 H new ATOM 0 HA TYR A 10 1.469 -5.991 -9.769 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.073 -8.488 -10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.155 -8.486 -8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.949 -6.847 -8.548 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.006 -8.105 -12.119 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.968 -6.320 -9.839 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.027 -7.606 -13.396 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.080 -6.868 -13.365 1.00 0.00 H new ATOM 146 N ALA A 11 0.257 -6.729 -6.769 1.00 0.00 N ATOM 147 CA ALA A 11 -0.522 -6.237 -5.643 1.00 0.00 C ATOM 148 C ALA A 11 0.111 -5.018 -5.022 1.00 0.00 C ATOM 149 O ALA A 11 -0.581 -4.072 -4.700 1.00 0.00 O ATOM 150 CB ALA A 11 -0.719 -7.331 -4.606 1.00 0.00 C ATOM 0 H ALA A 11 0.575 -7.692 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.500 -5.942 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.304 -6.941 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.247 -8.171 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.252 -7.666 -4.242 1.00 0.00 H new ATOM 156 N ALA A 12 1.430 -5.027 -4.906 1.00 0.00 N ATOM 157 CA ALA A 12 2.160 -3.906 -4.324 1.00 0.00 C ATOM 158 C ALA A 12 1.927 -2.627 -5.114 1.00 0.00 C ATOM 159 O ALA A 12 1.638 -1.579 -4.541 1.00 0.00 O ATOM 160 CB ALA A 12 3.638 -4.212 -4.255 1.00 0.00 C ATOM 0 H ALA A 12 2.021 -5.801 -5.208 1.00 0.00 H new ATOM 0 HA ALA A 12 1.784 -3.755 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.165 -3.364 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.798 -5.096 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.018 -4.397 -5.259 1.00 0.00 H new ATOM 166 N LYS A 13 1.996 -2.738 -6.436 1.00 0.00 N ATOM 167 CA LYS A 13 1.816 -1.595 -7.324 1.00 0.00 C ATOM 168 C LYS A 13 0.388 -1.064 -7.193 1.00 0.00 C ATOM 169 O LYS A 13 0.138 0.159 -7.232 1.00 0.00 O ATOM 170 CB LYS A 13 2.091 -2.010 -8.770 1.00 0.00 C ATOM 171 CG LYS A 13 2.179 -0.849 -9.748 1.00 0.00 C ATOM 172 CD LYS A 13 2.374 -1.326 -11.178 1.00 0.00 C ATOM 173 CE LYS A 13 2.606 -0.157 -12.132 1.00 0.00 C ATOM 174 NZ LYS A 13 1.502 0.839 -12.104 1.00 0.00 N ATOM 0 H LYS A 13 2.177 -3.617 -6.920 1.00 0.00 H new ATOM 0 HA LYS A 13 2.517 -0.808 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.026 -2.570 -8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.302 -2.687 -9.098 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.269 -0.252 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.007 -0.199 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.224 -2.007 -11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.497 -1.889 -11.497 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.542 0.338 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.719 -0.539 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.653 1.546 -12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.595 0.356 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.485 1.313 -11.178 1.00 0.00 H new ATOM 188 N LYS A 14 -0.529 -1.991 -7.033 1.00 0.00 N ATOM 189 CA LYS A 14 -1.925 -1.686 -6.826 1.00 0.00 C ATOM 190 C LYS A 14 -2.131 -0.916 -5.536 1.00 0.00 C ATOM 191 O LYS A 14 -2.759 0.151 -5.547 1.00 0.00 O ATOM 192 CB LYS A 14 -2.743 -2.968 -6.836 1.00 0.00 C ATOM 193 CG LYS A 14 -2.779 -3.633 -8.195 1.00 0.00 C ATOM 194 CD LYS A 14 -3.602 -2.812 -9.158 1.00 0.00 C ATOM 195 CE LYS A 14 -3.486 -3.289 -10.580 1.00 0.00 C ATOM 196 NZ LYS A 14 -4.312 -2.457 -11.474 1.00 0.00 N ATOM 0 H LYS A 14 -0.323 -2.990 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.266 -1.049 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.327 -3.664 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.762 -2.745 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.765 -3.748 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.201 -4.634 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.648 -2.844 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.286 -1.770 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.444 -3.251 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.802 -4.330 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.220 -2.800 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.308 -2.514 -11.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.992 -1.469 -11.423 1.00 0.00 H new ATOM 210 N VAL A 15 -1.586 -1.446 -4.441 1.00 0.00 N ATOM 211 CA VAL A 15 -1.666 -0.795 -3.130 1.00 0.00 C ATOM 212 C VAL A 15 -1.128 0.626 -3.217 1.00 0.00 C ATOM 213 O VAL A 15 -1.790 1.559 -2.768 1.00 0.00 O ATOM 214 CB VAL A 15 -0.862 -1.553 -2.036 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.032 -0.893 -0.670 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.254 -3.008 -1.966 1.00 0.00 C ATOM 0 H VAL A 15 -1.080 -2.332 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.719 -0.797 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 15 0.190 -1.500 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.458 -1.445 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.673 0.135 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.086 -0.897 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.671 -3.505 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.315 -3.088 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.059 -3.484 -2.927 1.00 0.00 H new ATOM 226 N ILE A 16 0.048 0.777 -3.848 1.00 0.00 N ATOM 227 CA ILE A 16 0.707 2.083 -4.001 1.00 0.00 C ATOM 228 C ILE A 16 -0.219 3.098 -4.639 1.00 0.00 C ATOM 229 O ILE A 16 -0.351 4.213 -4.150 1.00 0.00 O ATOM 230 CB ILE A 16 2.017 1.994 -4.841 1.00 0.00 C ATOM 231 CG1 ILE A 16 3.065 1.125 -4.136 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.588 3.389 -5.142 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.526 1.661 -2.796 1.00 0.00 C ATOM 0 H ILE A 16 0.565 0.002 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 16 0.965 2.407 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 16 1.763 1.523 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.653 0.126 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.931 1.021 -4.789 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.501 3.290 -5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.856 3.968 -5.705 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.813 3.900 -4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.266 0.984 -2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.971 2.647 -2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.673 1.738 -2.122 1.00 0.00 H new ATOM 245 N ASP A 17 -0.879 2.698 -5.703 1.00 0.00 N ATOM 246 CA ASP A 17 -1.779 3.595 -6.412 1.00 0.00 C ATOM 247 C ASP A 17 -2.942 4.005 -5.531 1.00 0.00 C ATOM 248 O ASP A 17 -3.297 5.175 -5.451 1.00 0.00 O ATOM 249 CB ASP A 17 -2.309 2.954 -7.692 1.00 0.00 C ATOM 250 CG ASP A 17 -3.277 3.863 -8.423 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.823 4.832 -9.072 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.507 3.625 -8.349 1.00 0.00 O ATOM 0 H ASP A 17 -0.813 1.761 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.204 4.482 -6.678 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.474 2.711 -8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.807 2.015 -7.448 1.00 0.00 H new ATOM 257 N ILE A 18 -3.490 3.056 -4.829 1.00 0.00 N ATOM 258 CA ILE A 18 -4.660 3.300 -4.009 1.00 0.00 C ATOM 259 C ILE A 18 -4.310 4.165 -2.794 1.00 0.00 C ATOM 260 O ILE A 18 -4.968 5.161 -2.540 1.00 0.00 O ATOM 261 CB ILE A 18 -5.310 1.983 -3.546 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.634 1.095 -4.751 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.578 2.275 -2.749 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.039 -0.315 -4.386 1.00 0.00 C ATOM 0 H ILE A 18 -3.148 2.095 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.379 3.838 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.606 1.453 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.439 1.556 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.762 1.054 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.029 1.337 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.328 2.876 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.284 2.821 -3.375 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.252 -0.879 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.227 -0.797 -3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.930 -0.287 -3.759 1.00 0.00 H new ATOM 276 N ILE A 19 -3.267 3.801 -2.071 1.00 0.00 N ATOM 277 CA ILE A 19 -2.843 4.584 -0.895 1.00 0.00 C ATOM 278 C ILE A 19 -2.414 6.004 -1.297 1.00 0.00 C ATOM 279 O ILE A 19 -2.542 6.937 -0.517 1.00 0.00 O ATOM 280 CB ILE A 19 -1.684 3.915 -0.098 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.427 3.786 -0.974 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.120 2.558 0.447 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.778 3.209 -0.285 1.00 0.00 C ATOM 0 H ILE A 19 -2.695 2.979 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.717 4.627 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.435 4.552 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.666 3.162 -1.835 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.168 4.773 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.297 2.107 1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.974 2.690 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.401 1.907 -0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.610 3.160 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.052 3.842 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.547 2.206 0.074 1.00 0.00 H new ATOM 295 N ASN A 20 -1.919 6.146 -2.518 1.00 0.00 N ATOM 296 CA ASN A 20 -1.457 7.433 -3.021 1.00 0.00 C ATOM 297 C ASN A 20 -2.666 8.314 -3.342 1.00 0.00 C ATOM 298 O ASN A 20 -2.674 9.511 -3.061 1.00 0.00 O ATOM 299 CB ASN A 20 -0.639 7.210 -4.307 1.00 0.00 C ATOM 300 CG ASN A 20 0.298 8.340 -4.667 1.00 0.00 C ATOM 301 OD1 ASN A 20 1.558 8.143 -4.371 1.00 0.00 O flip ATOM 302 ND2 ASN A 20 -0.089 9.328 -5.288 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.826 5.379 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.837 7.920 -2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.057 6.295 -4.196 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.328 7.050 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.081 9.442 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.582 10.033 -5.593 1.00 0.00 H new ATOM 309 N THR A 21 -3.703 7.686 -3.870 1.00 0.00 N ATOM 310 CA THR A 21 -4.900 8.381 -4.324 1.00 0.00 C ATOM 311 C THR A 21 -5.911 8.635 -3.193 1.00 0.00 C ATOM 312 O THR A 21 -6.453 9.744 -3.060 1.00 0.00 O ATOM 313 CB THR A 21 -5.596 7.591 -5.474 1.00 0.00 C ATOM 314 OG1 THR A 21 -5.767 6.213 -5.092 1.00 0.00 O ATOM 315 CG2 THR A 21 -4.772 7.605 -6.729 1.00 0.00 C ATOM 0 H THR A 21 -3.740 6.675 -3.997 1.00 0.00 H new ATOM 0 HA THR A 21 -4.566 9.351 -4.691 1.00 0.00 H new ATOM 0 HB THR A 21 -6.556 8.074 -5.657 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.937 5.721 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.288 7.045 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.626 8.634 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.803 7.146 -6.533 1.00 0.00 H new ATOM 323 N GLY A 22 -6.150 7.619 -2.397 1.00 0.00 N ATOM 324 CA GLY A 22 -7.147 7.679 -1.361 1.00 0.00 C ATOM 325 C GLY A 22 -6.779 8.586 -0.218 1.00 0.00 C ATOM 326 O GLY A 22 -5.605 8.677 0.180 1.00 0.00 O ATOM 0 H GLY A 22 -5.657 6.728 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.088 8.019 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.318 6.674 -0.975 1.00 0.00 H new ATOM 330 N SER A 23 -7.773 9.232 0.314 1.00 0.00 N ATOM 331 CA SER A 23 -7.615 10.154 1.394 1.00 0.00 C ATOM 332 C SER A 23 -7.830 9.466 2.743 1.00 0.00 C ATOM 333 O SER A 23 -6.874 9.176 3.461 1.00 0.00 O ATOM 334 CB SER A 23 -8.622 11.273 1.219 1.00 0.00 C ATOM 335 OG SER A 23 -8.420 11.944 -0.012 1.00 0.00 O ATOM 0 H SER A 23 -8.738 9.129 0.000 1.00 0.00 H new ATOM 0 HA SER A 23 -6.599 10.550 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.633 10.867 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.533 11.981 2.043 1.00 0.00 H new ATOM 0 HG SER A 23 -9.081 12.661 -0.106 1.00 0.00 H new ATOM 341 N ALA A 24 -9.088 9.189 3.050 1.00 0.00 N ATOM 342 CA ALA A 24 -9.483 8.595 4.321 1.00 0.00 C ATOM 343 C ALA A 24 -9.032 7.163 4.447 1.00 0.00 C ATOM 344 O ALA A 24 -9.223 6.363 3.527 1.00 0.00 O ATOM 345 CB ALA A 24 -10.972 8.663 4.502 1.00 0.00 C ATOM 0 H ALA A 24 -9.870 9.371 2.421 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.991 9.176 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -11.243 8.214 5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.293 9.704 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.462 8.120 3.694 1.00 0.00 H new ATOM 351 N VAL A 25 -8.513 6.833 5.613 1.00 0.00 N ATOM 352 CA VAL A 25 -7.967 5.513 5.901 1.00 0.00 C ATOM 353 C VAL A 25 -8.989 4.404 5.634 1.00 0.00 C ATOM 354 O VAL A 25 -8.707 3.481 4.873 1.00 0.00 O ATOM 355 CB VAL A 25 -7.426 5.409 7.357 1.00 0.00 C ATOM 356 CG1 VAL A 25 -6.788 4.057 7.607 1.00 0.00 C ATOM 357 CG2 VAL A 25 -6.428 6.515 7.648 1.00 0.00 C ATOM 0 H VAL A 25 -8.456 7.479 6.400 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.127 5.374 5.220 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.276 5.521 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.419 4.013 8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.528 3.272 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.958 3.913 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.066 6.418 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.588 6.438 6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.912 7.484 7.524 1.00 0.00 H new ATOM 367 N ALA A 26 -10.182 4.527 6.215 1.00 0.00 N ATOM 368 CA ALA A 26 -11.250 3.528 6.028 1.00 0.00 C ATOM 369 C ALA A 26 -11.632 3.389 4.567 1.00 0.00 C ATOM 370 O ALA A 26 -11.964 2.288 4.095 1.00 0.00 O ATOM 371 CB ALA A 26 -12.475 3.876 6.850 1.00 0.00 C ATOM 0 H ALA A 26 -10.440 5.306 6.820 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.856 2.572 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.246 3.122 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.208 3.906 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.854 4.851 6.544 1.00 0.00 H new ATOM 377 N THR A 27 -11.536 4.486 3.832 1.00 0.00 N ATOM 378 CA THR A 27 -11.885 4.470 2.451 1.00 0.00 C ATOM 379 C THR A 27 -10.838 3.651 1.684 1.00 0.00 C ATOM 380 O THR A 27 -11.185 2.779 0.870 1.00 0.00 O ATOM 381 CB THR A 27 -11.981 5.909 1.901 1.00 0.00 C ATOM 382 OG1 THR A 27 -12.880 6.677 2.745 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.520 5.905 0.481 1.00 0.00 C ATOM 0 H THR A 27 -11.218 5.389 4.183 1.00 0.00 H new ATOM 0 HA THR A 27 -12.863 4.007 2.323 1.00 0.00 H new ATOM 0 HB THR A 27 -10.985 6.353 1.898 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.008 7.569 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 27 -12.580 6.929 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.854 5.327 -0.159 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.513 5.457 0.470 1.00 0.00 H new ATOM 391 N ILE A 28 -9.577 3.875 2.027 1.00 0.00 N ATOM 392 CA ILE A 28 -8.459 3.201 1.404 1.00 0.00 C ATOM 393 C ILE A 28 -8.476 1.720 1.726 1.00 0.00 C ATOM 394 O ILE A 28 -8.380 0.910 0.821 1.00 0.00 O ATOM 395 CB ILE A 28 -7.121 3.818 1.862 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.099 5.297 1.539 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.940 3.123 1.191 1.00 0.00 C ATOM 398 CD1 ILE A 28 -5.967 6.033 2.188 1.00 0.00 C ATOM 0 H ILE A 28 -9.304 4.537 2.753 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.554 3.329 0.326 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.032 3.680 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.033 5.424 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.041 5.744 1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.009 3.577 1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.944 2.065 1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.022 3.230 0.109 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.013 7.087 1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.044 5.937 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.019 5.612 1.853 1.00 0.00 H new ATOM 410 N ILE A 29 -8.641 1.380 3.008 1.00 0.00 N ATOM 411 CA ILE A 29 -8.652 -0.021 3.460 1.00 0.00 C ATOM 412 C ILE A 29 -9.627 -0.849 2.641 1.00 0.00 C ATOM 413 O ILE A 29 -9.263 -1.899 2.105 1.00 0.00 O ATOM 414 CB ILE A 29 -9.043 -0.125 4.954 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.035 0.606 5.817 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.154 -1.588 5.398 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.486 0.767 7.235 1.00 0.00 C ATOM 0 H ILE A 29 -8.770 2.059 3.758 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.642 -0.407 3.325 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.020 0.343 5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.090 0.063 5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.844 1.590 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.430 -1.629 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.916 -2.092 4.804 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.195 -2.085 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.721 1.298 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.416 1.336 7.259 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.650 -0.215 7.678 1.00 0.00 H new ATOM 429 N ALA A 30 -10.838 -0.337 2.492 1.00 0.00 N ATOM 430 CA ALA A 30 -11.877 -1.032 1.769 1.00 0.00 C ATOM 431 C ALA A 30 -11.500 -1.190 0.298 1.00 0.00 C ATOM 432 O ALA A 30 -11.760 -2.238 -0.311 1.00 0.00 O ATOM 433 CB ALA A 30 -13.195 -0.293 1.914 1.00 0.00 C ATOM 0 H ALA A 30 -11.122 0.567 2.869 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.990 -2.030 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.972 -0.825 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.467 -0.238 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.093 0.715 1.513 1.00 0.00 H new ATOM 439 N LEU A 31 -10.842 -0.174 -0.248 1.00 0.00 N ATOM 440 CA LEU A 31 -10.432 -0.194 -1.647 1.00 0.00 C ATOM 441 C LEU A 31 -9.309 -1.199 -1.871 1.00 0.00 C ATOM 442 O LEU A 31 -9.396 -2.050 -2.757 1.00 0.00 O ATOM 443 CB LEU A 31 -9.990 1.199 -2.099 1.00 0.00 C ATOM 444 CG LEU A 31 -11.069 2.283 -2.117 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.451 3.642 -2.382 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.132 1.972 -3.162 1.00 0.00 C ATOM 0 H LEU A 31 -10.581 0.673 0.256 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.292 -0.499 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.184 1.531 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.572 1.116 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.547 2.302 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.233 4.402 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.730 3.873 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.945 3.630 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.889 2.757 -3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.669 1.921 -4.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.600 1.015 -2.931 1.00 0.00 H new ATOM 458 N VAL A 32 -8.281 -1.133 -1.035 1.00 0.00 N ATOM 459 CA VAL A 32 -7.125 -2.006 -1.185 1.00 0.00 C ATOM 460 C VAL A 32 -7.541 -3.453 -0.978 1.00 0.00 C ATOM 461 O VAL A 32 -7.170 -4.324 -1.751 1.00 0.00 O ATOM 462 CB VAL A 32 -5.964 -1.665 -0.209 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.704 -2.396 -0.607 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.693 -0.183 -0.151 1.00 0.00 C ATOM 0 H VAL A 32 -8.224 -0.486 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.751 -1.850 -2.197 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.275 -1.990 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.903 -2.145 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.883 -3.471 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.415 -2.101 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.875 0.010 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.420 0.176 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.588 0.337 0.190 1.00 0.00 H new ATOM 474 N THR A 33 -8.367 -3.682 0.026 1.00 0.00 N ATOM 475 CA THR A 33 -8.854 -5.014 0.351 1.00 0.00 C ATOM 476 C THR A 33 -9.688 -5.605 -0.809 1.00 0.00 C ATOM 477 O THR A 33 -9.657 -6.820 -1.057 1.00 0.00 O ATOM 478 CB THR A 33 -9.674 -4.981 1.663 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.853 -4.438 2.713 1.00 0.00 O ATOM 480 CG2 THR A 33 -10.146 -6.366 2.069 1.00 0.00 C ATOM 0 H THR A 33 -8.721 -2.950 0.641 1.00 0.00 H new ATOM 0 HA THR A 33 -7.992 -5.665 0.499 1.00 0.00 H new ATOM 0 HB THR A 33 -10.555 -4.361 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.104 -3.505 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.718 -6.299 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.776 -6.781 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.283 -7.014 2.222 1.00 0.00 H new ATOM 488 N ALA A 34 -10.375 -4.749 -1.547 1.00 0.00 N ATOM 489 CA ALA A 34 -11.176 -5.202 -2.672 1.00 0.00 C ATOM 490 C ALA A 34 -10.285 -5.602 -3.848 1.00 0.00 C ATOM 491 O ALA A 34 -10.606 -6.518 -4.602 1.00 0.00 O ATOM 492 CB ALA A 34 -12.166 -4.126 -3.092 1.00 0.00 C ATOM 0 H ALA A 34 -10.394 -3.742 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.737 -6.082 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.756 -4.484 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.828 -3.895 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.624 -3.227 -3.384 1.00 0.00 H new ATOM 498 N VAL A 35 -9.155 -4.938 -3.973 1.00 0.00 N ATOM 499 CA VAL A 35 -8.239 -5.178 -5.078 1.00 0.00 C ATOM 500 C VAL A 35 -7.244 -6.305 -4.761 1.00 0.00 C ATOM 501 O VAL A 35 -6.927 -7.128 -5.627 1.00 0.00 O ATOM 502 CB VAL A 35 -7.477 -3.880 -5.461 1.00 0.00 C ATOM 503 CG1 VAL A 35 -6.500 -4.119 -6.611 1.00 0.00 C ATOM 504 CG2 VAL A 35 -8.459 -2.776 -5.832 1.00 0.00 C ATOM 0 H VAL A 35 -8.843 -4.221 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.841 -5.494 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.901 -3.569 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.986 -3.188 -6.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.769 -4.872 -6.317 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.047 -4.467 -7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.908 -1.874 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.063 -3.096 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.110 -2.567 -4.983 1.00 0.00 H new ATOM 514 N VAL A 36 -6.756 -6.358 -3.536 1.00 0.00 N ATOM 515 CA VAL A 36 -5.788 -7.398 -3.182 1.00 0.00 C ATOM 516 C VAL A 36 -6.482 -8.677 -2.747 1.00 0.00 C ATOM 517 O VAL A 36 -5.887 -9.754 -2.779 1.00 0.00 O ATOM 518 CB VAL A 36 -4.748 -6.957 -2.106 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.975 -5.732 -2.570 1.00 0.00 C ATOM 520 CG2 VAL A 36 -5.395 -6.716 -0.746 1.00 0.00 C ATOM 0 H VAL A 36 -7.000 -5.716 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.226 -7.586 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.044 -7.780 -1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.256 -5.443 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.446 -5.964 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.668 -4.909 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.633 -6.411 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.145 -5.930 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.870 -7.634 -0.401 1.00 0.00 H new ATOM 551 N LEU A 40 -5.062 -7.785 4.372 1.00 0.00 N ATOM 552 CA LEU A 40 -3.663 -7.551 4.633 1.00 0.00 C ATOM 553 C LEU A 40 -3.401 -6.081 4.918 1.00 0.00 C ATOM 554 O LEU A 40 -2.868 -5.718 5.977 1.00 0.00 O ATOM 555 CB LEU A 40 -2.848 -8.000 3.427 1.00 0.00 C ATOM 556 CG LEU A 40 -2.892 -9.482 3.084 1.00 0.00 C ATOM 557 CD1 LEU A 40 -2.101 -9.745 1.818 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.348 -10.317 4.230 1.00 0.00 C ATOM 0 HA LEU A 40 -3.369 -8.123 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.191 -7.439 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.808 -7.721 3.596 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.931 -9.768 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.138 -10.808 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.531 -9.174 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.065 -9.442 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.389 -11.373 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.315 -10.033 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.949 -10.145 5.123 1.00 0.00 H new ATOM 570 N ILE A 41 -3.774 -5.235 3.987 1.00 0.00 N ATOM 571 CA ILE A 41 -3.551 -3.830 4.139 1.00 0.00 C ATOM 572 C ILE A 41 -4.629 -3.226 5.025 1.00 0.00 C ATOM 573 O ILE A 41 -5.734 -2.916 4.576 1.00 0.00 O ATOM 574 CB ILE A 41 -3.439 -3.054 2.775 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.279 -3.585 1.897 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.251 -1.560 3.015 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.540 -4.901 1.188 1.00 0.00 C ATOM 0 H ILE A 41 -4.234 -5.503 3.117 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.578 -3.718 4.618 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.374 -3.222 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.040 -2.831 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.396 -3.701 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.176 -1.044 2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.104 -1.171 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.339 -1.396 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.664 -5.179 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.745 -5.677 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.399 -4.794 0.526 1.00 0.00 H new ATOM 589 N THR A 42 -4.323 -3.147 6.282 1.00 0.00 N ATOM 590 CA THR A 42 -5.196 -2.585 7.275 1.00 0.00 C ATOM 591 C THR A 42 -4.805 -1.133 7.521 1.00 0.00 C ATOM 592 O THR A 42 -3.919 -0.619 6.830 1.00 0.00 O ATOM 593 CB THR A 42 -5.052 -3.394 8.573 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.648 -3.599 8.842 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.754 -4.738 8.456 1.00 0.00 C ATOM 0 H THR A 42 -3.436 -3.480 6.660 1.00 0.00 H new ATOM 0 HA THR A 42 -6.231 -2.623 6.935 1.00 0.00 H new ATOM 0 HB THR A 42 -5.515 -2.840 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.545 -4.113 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.637 -5.292 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.814 -4.579 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.314 -5.308 7.638 1.00 0.00 H new ATOM 603 N ALA A 43 -5.436 -0.483 8.498 1.00 0.00 N ATOM 604 CA ALA A 43 -5.161 0.923 8.828 1.00 0.00 C ATOM 605 C ALA A 43 -3.684 1.138 9.104 1.00 0.00 C ATOM 606 O ALA A 43 -3.096 2.133 8.662 1.00 0.00 O ATOM 607 CB ALA A 43 -5.990 1.362 10.031 1.00 0.00 C ATOM 0 H ALA A 43 -6.152 -0.912 9.085 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.441 1.531 7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.773 2.405 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.050 1.253 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.740 0.741 10.891 1.00 0.00 H new ATOM 613 N GLY A 44 -3.086 0.172 9.788 1.00 0.00 N ATOM 614 CA GLY A 44 -1.690 0.226 10.113 1.00 0.00 C ATOM 615 C GLY A 44 -0.826 0.166 8.885 1.00 0.00 C ATOM 616 O GLY A 44 0.174 0.870 8.789 1.00 0.00 O ATOM 0 H GLY A 44 -3.564 -0.663 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.480 1.145 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.439 -0.603 10.774 1.00 0.00 H new ATOM 620 N ILE A 45 -1.227 -0.628 7.918 1.00 0.00 N ATOM 621 CA ILE A 45 -0.456 -0.753 6.716 1.00 0.00 C ATOM 622 C ILE A 45 -0.657 0.490 5.854 1.00 0.00 C ATOM 623 O ILE A 45 0.305 1.049 5.361 1.00 0.00 O ATOM 624 CB ILE A 45 -0.801 -2.047 5.927 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.595 -3.295 6.812 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.046 -2.159 4.658 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.818 -3.467 7.344 1.00 0.00 C ATOM 0 H ILE A 45 -2.077 -1.191 7.945 1.00 0.00 H new ATOM 0 HA ILE A 45 0.595 -0.835 6.992 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.850 -1.990 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.283 -3.243 7.656 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.863 -4.181 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.216 -3.073 4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.144 -1.298 4.017 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.102 -2.185 4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.870 -4.368 7.955 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.513 -3.554 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.086 -2.602 7.951 1.00 0.00 H new ATOM 639 N VAL A 46 -1.909 0.942 5.743 1.00 0.00 N ATOM 640 CA VAL A 46 -2.264 2.141 4.971 1.00 0.00 C ATOM 641 C VAL A 46 -1.454 3.356 5.429 1.00 0.00 C ATOM 642 O VAL A 46 -0.748 3.983 4.621 1.00 0.00 O ATOM 643 CB VAL A 46 -3.787 2.483 5.087 1.00 0.00 C ATOM 644 CG1 VAL A 46 -4.110 3.808 4.409 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.638 1.385 4.482 1.00 0.00 C ATOM 0 H VAL A 46 -2.708 0.488 6.186 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.030 1.914 3.931 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.017 2.568 6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.175 4.017 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.539 4.607 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.848 3.750 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.692 1.648 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.386 1.268 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.450 0.448 5.006 1.00 0.00 H new ATOM 655 N ALA A 47 -1.538 3.655 6.726 1.00 0.00 N ATOM 656 CA ALA A 47 -0.873 4.816 7.302 1.00 0.00 C ATOM 657 C ALA A 47 0.627 4.737 7.112 1.00 0.00 C ATOM 658 O ALA A 47 1.262 5.718 6.716 1.00 0.00 O ATOM 659 CB ALA A 47 -1.221 4.958 8.776 1.00 0.00 C ATOM 0 H ALA A 47 -2.066 3.101 7.400 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.231 5.702 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.714 5.831 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.299 5.079 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.900 4.066 9.313 1.00 0.00 H new ATOM 665 N THR A 48 1.181 3.569 7.357 1.00 0.00 N ATOM 666 CA THR A 48 2.594 3.367 7.207 1.00 0.00 C ATOM 667 C THR A 48 3.011 3.513 5.740 1.00 0.00 C ATOM 668 O THR A 48 3.883 4.315 5.421 1.00 0.00 O ATOM 669 CB THR A 48 3.009 1.984 7.739 1.00 0.00 C ATOM 670 OG1 THR A 48 2.603 1.869 9.111 1.00 0.00 O ATOM 671 CG2 THR A 48 4.513 1.799 7.645 1.00 0.00 C ATOM 0 H THR A 48 0.665 2.744 7.663 1.00 0.00 H new ATOM 0 HA THR A 48 3.105 4.132 7.792 1.00 0.00 H new ATOM 0 HB THR A 48 2.526 1.216 7.135 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.812 1.293 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.783 0.814 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.826 1.883 6.604 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.012 2.567 8.237 1.00 0.00 H new ATOM 679 N ALA A 49 2.329 2.795 4.860 1.00 0.00 N ATOM 680 CA ALA A 49 2.657 2.763 3.451 1.00 0.00 C ATOM 681 C ALA A 49 2.621 4.144 2.816 1.00 0.00 C ATOM 682 O ALA A 49 3.570 4.529 2.133 1.00 0.00 O ATOM 683 CB ALA A 49 1.766 1.786 2.707 1.00 0.00 C ATOM 0 H ALA A 49 1.528 2.216 5.110 1.00 0.00 H new ATOM 0 HA ALA A 49 3.686 2.411 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.034 1.782 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.899 0.786 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.724 2.088 2.816 1.00 0.00 H new ATOM 689 N LYS A 50 1.563 4.924 3.065 1.00 0.00 N ATOM 690 CA LYS A 50 1.516 6.242 2.477 1.00 0.00 C ATOM 691 C LYS A 50 2.519 7.199 3.131 1.00 0.00 C ATOM 692 O LYS A 50 2.950 8.198 2.515 1.00 0.00 O ATOM 693 CB LYS A 50 0.115 6.857 2.423 1.00 0.00 C ATOM 694 CG LYS A 50 -0.553 7.142 3.758 1.00 0.00 C ATOM 695 CD LYS A 50 -1.691 8.156 3.592 1.00 0.00 C ATOM 696 CE LYS A 50 -2.732 7.726 2.553 1.00 0.00 C ATOM 697 NZ LYS A 50 -3.783 8.756 2.356 1.00 0.00 N ATOM 0 H LYS A 50 0.765 4.669 3.647 1.00 0.00 H new ATOM 0 HA LYS A 50 1.813 6.095 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.174 7.791 1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.530 6.187 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.944 6.216 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.183 7.527 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.184 8.301 4.553 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.272 9.119 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.235 7.529 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.195 6.792 2.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.334 8.531 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.415 8.770 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.338 9.689 2.245 1.00 0.00 H new ATOM 711 N SER A 51 2.913 6.913 4.354 1.00 0.00 N ATOM 712 CA SER A 51 3.899 7.727 4.982 1.00 0.00 C ATOM 713 C SER A 51 5.232 7.439 4.303 1.00 0.00 C ATOM 714 O SER A 51 5.930 8.367 3.893 1.00 0.00 O ATOM 715 CB SER A 51 3.957 7.476 6.502 1.00 0.00 C ATOM 716 OG SER A 51 4.765 8.443 7.164 1.00 0.00 O ATOM 0 H SER A 51 2.566 6.135 4.914 1.00 0.00 H new ATOM 0 HA SER A 51 3.647 8.781 4.869 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.948 7.501 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.354 6.479 6.691 1.00 0.00 H new ATOM 0 HG SER A 51 4.665 8.345 8.134 1.00 0.00 H new ATOM 722 N LEU A 52 5.517 6.147 4.090 1.00 0.00 N ATOM 723 CA LEU A 52 6.742 5.696 3.450 1.00 0.00 C ATOM 724 C LEU A 52 6.882 6.288 2.050 1.00 0.00 C ATOM 725 O LEU A 52 7.968 6.707 1.665 1.00 0.00 O ATOM 726 CB LEU A 52 6.776 4.171 3.348 1.00 0.00 C ATOM 727 CG LEU A 52 6.599 3.384 4.642 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.506 1.923 4.334 1.00 0.00 C ATOM 729 CD2 LEU A 52 7.728 3.638 5.619 1.00 0.00 C ATOM 0 H LEU A 52 4.894 5.387 4.362 1.00 0.00 H new ATOM 0 HA LEU A 52 7.572 6.037 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.995 3.861 2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.729 3.883 2.905 1.00 0.00 H new ATOM 0 HG LEU A 52 5.677 3.722 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.380 1.363 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.652 1.742 3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.419 1.598 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.561 3.058 6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.674 3.341 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.762 4.699 5.868 1.00 0.00 H new ATOM 741 N ILE A 53 5.778 6.358 1.301 1.00 0.00 N ATOM 742 CA ILE A 53 5.834 6.887 -0.061 1.00 0.00 C ATOM 743 C ILE A 53 6.096 8.389 -0.056 1.00 0.00 C ATOM 744 O ILE A 53 6.692 8.929 -0.989 1.00 0.00 O ATOM 745 CB ILE A 53 4.554 6.590 -0.918 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.353 7.379 -0.397 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.239 5.106 -0.923 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.065 7.174 -1.167 1.00 0.00 C ATOM 0 H ILE A 53 4.852 6.061 1.608 1.00 0.00 H new ATOM 0 HA ILE A 53 6.663 6.360 -0.533 1.00 0.00 H new ATOM 0 HB ILE A 53 4.759 6.906 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.183 7.106 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.601 8.440 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.348 4.925 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.080 4.557 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.063 4.768 0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.274 7.776 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.209 7.477 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.784 6.121 -1.132 1.00 0.00 H new ATOM 760 N LYS A 54 5.664 9.069 0.994 1.00 0.00 N ATOM 761 CA LYS A 54 5.858 10.495 1.049 1.00 0.00 C ATOM 762 C LYS A 54 7.288 10.849 1.508 1.00 0.00 C ATOM 763 O LYS A 54 7.823 11.894 1.155 1.00 0.00 O ATOM 764 CB LYS A 54 4.800 11.140 1.943 1.00 0.00 C ATOM 765 CG LYS A 54 4.727 12.652 1.818 1.00 0.00 C ATOM 766 CD LYS A 54 3.580 13.234 2.624 1.00 0.00 C ATOM 767 CE LYS A 54 3.821 13.148 4.124 1.00 0.00 C ATOM 768 NZ LYS A 54 4.955 14.002 4.553 1.00 0.00 N ATOM 0 H LYS A 54 5.188 8.662 1.799 1.00 0.00 H new ATOM 0 HA LYS A 54 5.739 10.898 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.825 10.718 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.008 10.881 2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.666 13.090 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.608 12.924 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.434 14.277 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.660 12.705 2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.918 13.450 4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.021 12.113 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.931 14.118 5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.852 13.554 4.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.879 14.934 4.098 1.00 0.00 H new ATOM 782 N LYS A 55 7.909 9.965 2.262 1.00 0.00 N ATOM 783 CA LYS A 55 9.266 10.215 2.768 1.00 0.00 C ATOM 784 C LYS A 55 10.349 9.542 1.939 1.00 0.00 C ATOM 785 O LYS A 55 11.289 10.191 1.470 1.00 0.00 O ATOM 786 CB LYS A 55 9.394 9.809 4.252 1.00 0.00 C ATOM 787 CG LYS A 55 8.794 8.459 4.592 1.00 0.00 C ATOM 788 CD LYS A 55 8.708 8.197 6.085 1.00 0.00 C ATOM 789 CE LYS A 55 7.837 9.231 6.794 1.00 0.00 C ATOM 790 NZ LYS A 55 7.547 8.857 8.190 1.00 0.00 N ATOM 0 H LYS A 55 7.509 9.070 2.543 1.00 0.00 H new ATOM 0 HA LYS A 55 9.424 11.290 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.450 9.801 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.913 10.570 4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.795 8.395 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.393 7.676 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.301 7.200 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.710 8.210 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.339 10.199 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.900 9.348 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.519 8.767 8.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.004 7.949 8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.913 9.591 8.829 1.00 0.00 H new ATOM 804 N TYR A 56 10.222 8.259 1.779 1.00 0.00 N ATOM 805 CA TYR A 56 11.217 7.456 1.117 1.00 0.00 C ATOM 806 C TYR A 56 10.916 7.338 -0.363 1.00 0.00 C ATOM 807 O TYR A 56 11.824 7.307 -1.188 1.00 0.00 O ATOM 808 CB TYR A 56 11.252 6.073 1.770 1.00 0.00 C ATOM 809 CG TYR A 56 11.386 6.115 3.290 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.228 7.015 3.922 1.00 0.00 C ATOM 811 CD2 TYR A 56 10.664 5.255 4.078 1.00 0.00 C ATOM 812 CE1 TYR A 56 12.342 7.045 5.298 1.00 0.00 C ATOM 813 CE2 TYR A 56 10.774 5.267 5.450 1.00 0.00 C ATOM 814 CZ TYR A 56 11.611 6.159 6.057 1.00 0.00 C ATOM 815 OH TYR A 56 11.725 6.160 7.436 1.00 0.00 O ATOM 0 H TYR A 56 9.415 7.729 2.108 1.00 0.00 H new ATOM 0 HA TYR A 56 12.192 7.933 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.341 5.535 1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.086 5.507 1.356 1.00 0.00 H new ATOM 0 HD1 TYR A 56 12.806 7.707 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.992 4.551 3.610 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.999 7.757 5.775 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.200 4.572 6.045 1.00 0.00 H new ATOM 0 HH TYR A 56 11.138 5.472 7.813 1.00 0.00 H new ATOM 825 N GLY A 57 9.652 7.268 -0.688 1.00 0.00 N ATOM 826 CA GLY A 57 9.245 7.184 -2.065 1.00 0.00 C ATOM 827 C GLY A 57 8.322 6.016 -2.305 1.00 0.00 C ATOM 828 O GLY A 57 8.286 5.058 -1.506 1.00 0.00 O ATOM 0 H GLY A 57 8.885 7.268 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.744 8.108 -2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.126 7.088 -2.699 1.00 0.00 H new ATOM 832 N ALA A 58 7.583 6.070 -3.396 1.00 0.00 N ATOM 833 CA ALA A 58 6.608 5.043 -3.722 1.00 0.00 C ATOM 834 C ALA A 58 7.282 3.724 -4.060 1.00 0.00 C ATOM 835 O ALA A 58 6.743 2.651 -3.782 1.00 0.00 O ATOM 836 CB ALA A 58 5.691 5.499 -4.849 1.00 0.00 C ATOM 0 H ALA A 58 7.640 6.824 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 58 5.994 4.878 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.971 4.712 -5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.160 6.401 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.285 5.711 -5.738 1.00 0.00 H new ATOM 842 N LYS A 59 8.472 3.807 -4.625 1.00 0.00 N ATOM 843 CA LYS A 59 9.244 2.626 -4.969 1.00 0.00 C ATOM 844 C LYS A 59 9.701 1.902 -3.701 1.00 0.00 C ATOM 845 O LYS A 59 9.747 0.665 -3.659 1.00 0.00 O ATOM 846 CB LYS A 59 10.442 3.003 -5.852 1.00 0.00 C ATOM 847 CG LYS A 59 11.359 1.848 -6.198 1.00 0.00 C ATOM 848 CD LYS A 59 12.482 2.284 -7.119 1.00 0.00 C ATOM 849 CE LYS A 59 13.457 1.149 -7.381 1.00 0.00 C ATOM 850 NZ LYS A 59 12.791 -0.043 -7.934 1.00 0.00 N ATOM 0 H LYS A 59 8.929 4.689 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 59 8.609 1.947 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.070 3.444 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.024 3.772 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.779 1.430 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.783 1.056 -6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.065 2.633 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.013 3.126 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.227 1.487 -8.075 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.960 0.883 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.508 -0.717 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.212 -0.491 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.181 0.237 -8.729 1.00 0.00 H new ATOM 864 N TYR A 60 9.967 2.676 -2.649 1.00 0.00 N ATOM 865 CA TYR A 60 10.411 2.124 -1.396 1.00 0.00 C ATOM 866 C TYR A 60 9.300 1.287 -0.799 1.00 0.00 C ATOM 867 O TYR A 60 9.507 0.131 -0.393 1.00 0.00 O ATOM 868 CB TYR A 60 10.806 3.254 -0.415 1.00 0.00 C ATOM 869 CG TYR A 60 11.093 2.765 0.993 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.052 2.553 1.888 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.375 2.484 1.408 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.272 2.077 3.145 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.614 2.000 2.679 1.00 0.00 C ATOM 874 CZ TYR A 60 11.553 1.796 3.541 1.00 0.00 C ATOM 875 OH TYR A 60 11.785 1.316 4.805 1.00 0.00 O ATOM 0 H TYR A 60 9.878 3.692 -2.653 1.00 0.00 H new ATOM 0 HA TYR A 60 11.287 1.500 -1.572 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.688 3.765 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.002 3.989 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.041 2.772 1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.202 2.644 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.445 1.923 3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.623 1.782 2.997 1.00 0.00 H new ATOM 0 HH TYR A 60 12.746 1.167 4.927 1.00 0.00 H new ATOM 885 N ALA A 61 8.124 1.875 -0.752 1.00 0.00 N ATOM 886 CA ALA A 61 6.980 1.236 -0.159 1.00 0.00 C ATOM 887 C ALA A 61 6.557 0.025 -0.938 1.00 0.00 C ATOM 888 O ALA A 61 6.098 -0.927 -0.362 1.00 0.00 O ATOM 889 CB ALA A 61 5.851 2.192 -0.033 1.00 0.00 C ATOM 0 H ALA A 61 7.939 2.807 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 61 7.271 0.905 0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.996 1.688 0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.152 3.029 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.575 2.561 -1.021 1.00 0.00 H new ATOM 895 N ALA A 62 6.737 0.060 -2.248 1.00 0.00 N ATOM 896 CA ALA A 62 6.407 -1.075 -3.093 1.00 0.00 C ATOM 897 C ALA A 62 7.233 -2.291 -2.683 1.00 0.00 C ATOM 898 O ALA A 62 6.712 -3.404 -2.559 1.00 0.00 O ATOM 899 CB ALA A 62 6.633 -0.730 -4.554 1.00 0.00 C ATOM 0 H ALA A 62 7.111 0.865 -2.750 1.00 0.00 H new ATOM 0 HA ALA A 62 5.352 -1.318 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.381 -1.590 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.001 0.114 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.679 -0.465 -4.708 1.00 0.00 H new ATOM 905 N ALA A 63 8.511 -2.057 -2.417 1.00 0.00 N ATOM 906 CA ALA A 63 9.398 -3.105 -1.961 1.00 0.00 C ATOM 907 C ALA A 63 9.035 -3.518 -0.533 1.00 0.00 C ATOM 908 O ALA A 63 9.033 -4.709 -0.202 1.00 0.00 O ATOM 909 CB ALA A 63 10.847 -2.648 -2.038 1.00 0.00 C ATOM 0 H ALA A 63 8.954 -1.143 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 63 9.281 -3.971 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.500 -3.449 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 63 11.095 -2.398 -3.070 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.985 -1.769 -1.409 1.00 0.00 H new ATOM 915 N TRP A 64 8.691 -2.524 0.289 1.00 0.00 N ATOM 916 CA TRP A 64 8.311 -2.730 1.691 1.00 0.00 C ATOM 917 C TRP A 64 7.053 -3.588 1.791 1.00 0.00 C ATOM 918 O TRP A 64 7.017 -4.566 2.553 1.00 0.00 O ATOM 919 CB TRP A 64 8.097 -1.366 2.395 1.00 0.00 C ATOM 920 CG TRP A 64 7.653 -1.460 3.826 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.452 -1.513 4.918 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.299 -1.500 4.317 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.687 -1.585 6.059 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.365 -1.581 5.716 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.043 -1.474 3.706 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.225 -1.642 6.515 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.916 -1.532 4.502 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.013 -1.614 5.887 1.00 0.00 C ATOM 0 H TRP A 64 8.668 -1.546 -0.000 1.00 0.00 H new ATOM 0 HA TRP A 64 9.122 -3.258 2.193 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.029 -0.802 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.355 -0.796 1.835 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.532 -1.501 4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.050 -1.634 7.011 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.955 -1.410 2.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.297 -1.709 7.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.940 -1.513 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.110 -1.656 6.478 1.00 0.00 H new