USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 711 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 6 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -3.44! USER MOD Set 2.1: A 17 TYR OH : rot 95:sc= 0.634 USER MOD Set 2.2: A 34 HIS :FLIP no HD1:sc= -0.243 F(o=-2,f=0.39) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.00966 (180deg=0) USER MOD Single : A 2 SER OG : rot 19:sc= 0.896 USER MOD Single : A 3 SER OG : rot 180:sc= -1.2 USER MOD Single : A 10 GLN :FLIP amide:sc= -3.86! C(o=-6.6!,f=-3.9!) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.132 F(o=-0.91,f=-0.13) USER MOD Single : A 14 ASN : amide:sc= -4.42! C(o=-4.4!,f=-11!) USER MOD Single : A 24 GLN : amide:sc= -3.25! C(o=-3.3!,f=-6.4!) USER MOD Single : A 26 ASN : amide:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.13) USER MOD Single : A 32 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.029) USER MOD Single : A 33 HIS : no HD1:sc= -8.32! C(o=-8.3!,f=-8.8!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -130:sc= -1.16! USER MOD Single : A 56 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.088) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.961 F(o=-1.9,f=-0.96) USER MOD Single : A 66 MET CE :methyl 156:sc= -2.08! (180deg=-3.27!) USER MOD Single : A 76 ASN : amide:sc= -0.213 K(o=-0.21,f=-1.2) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -0.0552 (180deg=-0.596) USER MOD Single : A 90 ASN : amide:sc= -0.753 X(o=-0.75,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.557 15.478 6.926 1.00 0.00 N ATOM 2 CA MET A 1 -5.981 15.186 6.595 1.00 0.00 C ATOM 3 C MET A 1 -6.102 13.746 6.093 1.00 0.00 C ATOM 4 O MET A 1 -6.371 12.835 6.850 1.00 0.00 O ATOM 5 CB MET A 1 -6.458 16.148 5.506 1.00 0.00 C ATOM 6 CG MET A 1 -6.916 17.458 6.148 1.00 0.00 C ATOM 7 SD MET A 1 -5.664 18.737 5.874 1.00 0.00 S ATOM 8 CE MET A 1 -6.398 20.002 6.939 1.00 0.00 C ATOM 0 H1 MET A 1 -4.356 16.481 6.740 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.384 15.270 7.930 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.936 14.886 6.338 1.00 0.00 H new ATOM 0 HA MET A 1 -6.596 15.313 7.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.652 16.340 4.797 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.277 15.700 4.944 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.869 17.770 5.721 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.077 17.315 7.217 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.777 20.898 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.398 20.246 6.579 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.462 19.626 7.960 1.00 0.00 H new ATOM 20 N SER A 2 -5.907 13.535 4.822 1.00 0.00 N ATOM 21 CA SER A 2 -6.012 12.156 4.270 1.00 0.00 C ATOM 22 C SER A 2 -5.553 12.161 2.812 1.00 0.00 C ATOM 23 O SER A 2 -6.297 11.817 1.915 1.00 0.00 O ATOM 24 CB SER A 2 -7.465 11.687 4.347 1.00 0.00 C ATOM 25 OG SER A 2 -7.749 11.253 5.670 1.00 0.00 O ATOM 0 H SER A 2 -5.679 14.259 4.140 1.00 0.00 H new ATOM 0 HA SER A 2 -5.383 11.480 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.136 12.498 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.635 10.874 3.641 1.00 0.00 H new ATOM 0 HG SER A 2 -7.079 11.618 6.285 1.00 0.00 H new ATOM 31 N SER A 3 -4.335 12.556 2.569 1.00 0.00 N ATOM 32 CA SER A 3 -3.829 12.591 1.169 1.00 0.00 C ATOM 33 C SER A 3 -2.566 11.740 1.054 1.00 0.00 C ATOM 34 O SER A 3 -1.888 11.762 0.047 1.00 0.00 O ATOM 35 CB SER A 3 -3.503 14.033 0.783 1.00 0.00 C ATOM 36 OG SER A 3 -2.231 14.383 1.313 1.00 0.00 O ATOM 0 H SER A 3 -3.668 12.856 3.280 1.00 0.00 H new ATOM 0 HA SER A 3 -4.594 12.195 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.500 14.140 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.268 14.707 1.168 1.00 0.00 H new ATOM 0 HG SER A 3 -2.017 15.307 1.066 1.00 0.00 H new ATOM 42 N LEU A 4 -2.234 10.992 2.071 1.00 0.00 N ATOM 43 CA LEU A 4 -1.013 10.159 1.989 1.00 0.00 C ATOM 44 C LEU A 4 -1.230 8.820 2.696 1.00 0.00 C ATOM 45 O LEU A 4 -2.172 8.638 3.442 1.00 0.00 O ATOM 46 CB LEU A 4 0.139 10.903 2.648 1.00 0.00 C ATOM 47 CG LEU A 4 -0.365 11.612 3.904 1.00 0.00 C ATOM 48 CD1 LEU A 4 0.550 11.274 5.081 1.00 0.00 C ATOM 49 CD2 LEU A 4 -0.361 13.124 3.670 1.00 0.00 C ATOM 0 H LEU A 4 -2.754 10.925 2.946 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.782 9.965 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.936 10.206 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.563 11.628 1.953 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.379 11.282 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.191 11.779 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.547 10.197 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.565 11.605 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.720 13.632 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.653 13.455 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.013 13.364 2.830 1.00 0.00 H new ATOM 61 N VAL A 5 -0.363 7.879 2.445 1.00 0.00 N ATOM 62 CA VAL A 5 -0.493 6.539 3.065 1.00 0.00 C ATOM 63 C VAL A 5 0.840 6.120 3.678 1.00 0.00 C ATOM 64 O VAL A 5 1.874 6.698 3.406 1.00 0.00 O ATOM 65 CB VAL A 5 -0.851 5.540 1.974 1.00 0.00 C ATOM 66 CG1 VAL A 5 -2.054 6.050 1.190 1.00 0.00 C ATOM 67 CG2 VAL A 5 0.336 5.368 1.024 1.00 0.00 C ATOM 0 H VAL A 5 0.441 7.987 1.827 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.260 6.567 3.839 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.093 4.580 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.309 5.334 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.903 6.171 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.812 7.011 0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.077 4.652 0.244 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.580 6.328 0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.198 5.001 1.581 1.00 0.00 H new ATOM 77 N TYR A 6 0.825 5.091 4.473 1.00 0.00 N ATOM 78 CA TYR A 6 2.087 4.592 5.076 1.00 0.00 C ATOM 79 C TYR A 6 1.969 3.072 5.166 1.00 0.00 C ATOM 80 O TYR A 6 0.945 2.554 5.550 1.00 0.00 O ATOM 81 CB TYR A 6 2.256 5.203 6.475 1.00 0.00 C ATOM 82 CG TYR A 6 3.148 4.329 7.328 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.306 3.770 6.780 1.00 0.00 C ATOM 84 CD2 TYR A 6 2.814 4.077 8.665 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.134 2.959 7.566 1.00 0.00 C ATOM 86 CE2 TYR A 6 3.641 3.266 9.452 1.00 0.00 C ATOM 87 CZ TYR A 6 4.801 2.707 8.902 1.00 0.00 C ATOM 88 OH TYR A 6 5.616 1.908 9.678 1.00 0.00 O ATOM 0 H TYR A 6 -0.013 4.571 4.733 1.00 0.00 H new ATOM 0 HA TYR A 6 2.955 4.870 4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.685 6.202 6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.282 5.313 6.951 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.563 3.964 5.749 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.919 4.508 9.089 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.029 2.528 7.142 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.384 3.072 10.483 1.00 0.00 H new ATOM 0 HH TYR A 6 5.241 1.837 10.580 1.00 0.00 H new ATOM 98 N ILE A 7 2.991 2.348 4.808 1.00 0.00 N ATOM 99 CA ILE A 7 2.890 0.866 4.873 1.00 0.00 C ATOM 100 C ILE A 7 4.281 0.239 4.887 1.00 0.00 C ATOM 101 O ILE A 7 5.144 0.611 4.120 1.00 0.00 O ATOM 102 CB ILE A 7 2.157 0.354 3.619 1.00 0.00 C ATOM 103 CG1 ILE A 7 3.106 0.430 2.411 1.00 0.00 C ATOM 104 CG2 ILE A 7 0.918 1.209 3.345 1.00 0.00 C ATOM 105 CD1 ILE A 7 2.309 0.408 1.106 1.00 0.00 C ATOM 0 H ILE A 7 3.883 2.714 4.476 1.00 0.00 H new ATOM 0 HA ILE A 7 2.351 0.595 5.781 1.00 0.00 H new ATOM 0 HB ILE A 7 1.846 -0.678 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.702 1.341 2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.802 -0.408 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.409 0.837 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.243 1.156 4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.219 2.244 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.994 0.462 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.733 -0.515 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.631 1.261 1.079 1.00 0.00 H new ATOM 117 N ALA A 8 4.487 -0.751 5.702 1.00 0.00 N ATOM 118 CA ALA A 8 5.800 -1.438 5.698 1.00 0.00 C ATOM 119 C ALA A 8 5.515 -2.903 5.368 1.00 0.00 C ATOM 120 O ALA A 8 4.375 -3.312 5.366 1.00 0.00 O ATOM 121 CB ALA A 8 6.469 -1.291 7.061 1.00 0.00 C ATOM 0 H ALA A 8 3.805 -1.113 6.369 1.00 0.00 H new ATOM 0 HA ALA A 8 6.483 -1.009 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.433 -1.799 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.618 -0.234 7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.834 -1.735 7.828 1.00 0.00 H new ATOM 127 N PHE A 9 6.503 -3.695 5.061 1.00 0.00 N ATOM 128 CA PHE A 9 6.223 -5.102 4.708 1.00 0.00 C ATOM 129 C PHE A 9 7.512 -5.926 4.798 1.00 0.00 C ATOM 130 O PHE A 9 8.602 -5.415 4.659 1.00 0.00 O ATOM 131 CB PHE A 9 5.709 -5.139 3.275 1.00 0.00 C ATOM 132 CG PHE A 9 4.257 -4.713 3.223 1.00 0.00 C ATOM 133 CD1 PHE A 9 3.330 -5.240 4.132 1.00 0.00 C ATOM 134 CD2 PHE A 9 3.838 -3.787 2.258 1.00 0.00 C ATOM 135 CE1 PHE A 9 1.988 -4.842 4.076 1.00 0.00 C ATOM 136 CE2 PHE A 9 2.496 -3.390 2.203 1.00 0.00 C ATOM 137 CZ PHE A 9 1.571 -3.918 3.112 1.00 0.00 C ATOM 0 H PHE A 9 7.486 -3.425 5.041 1.00 0.00 H new ATOM 0 HA PHE A 9 5.485 -5.518 5.393 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.310 -4.480 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.814 -6.146 2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.650 -5.954 4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.551 -3.379 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.275 -5.249 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.174 -2.676 1.459 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.536 -3.612 3.069 1.00 0.00 H new ATOM 147 N GLN A 10 7.389 -7.203 5.011 1.00 0.00 N ATOM 148 CA GLN A 10 8.593 -8.076 5.090 1.00 0.00 C ATOM 149 C GLN A 10 8.479 -9.150 4.009 1.00 0.00 C ATOM 150 O GLN A 10 7.851 -10.174 4.201 1.00 0.00 O ATOM 151 CB GLN A 10 8.671 -8.748 6.466 1.00 0.00 C ATOM 152 CG GLN A 10 10.090 -9.277 6.701 1.00 0.00 C ATOM 153 CD GLN A 10 10.441 -10.311 5.629 1.00 0.00 C ATOM 154 OE1 GLN A 10 10.972 -9.912 4.506 1.00 0.00 O flip ATOM 155 NE2 GLN A 10 10.230 -11.493 5.815 1.00 0.00 N flip ATOM 0 H GLN A 10 6.499 -7.685 5.135 1.00 0.00 H new ATOM 0 HA GLN A 10 9.491 -7.477 4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.404 -8.035 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.953 -9.566 6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.804 -8.454 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.161 -9.727 7.691 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.815 -11.805 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.468 -12.173 5.093 1.00 0.00 H new ATOM 164 N ASP A 11 9.071 -8.915 2.871 1.00 0.00 N ATOM 165 CA ASP A 11 8.996 -9.912 1.767 1.00 0.00 C ATOM 166 C ASP A 11 10.360 -10.580 1.580 1.00 0.00 C ATOM 167 O ASP A 11 11.387 -9.931 1.604 1.00 0.00 O ATOM 168 CB ASP A 11 8.597 -9.203 0.473 1.00 0.00 C ATOM 169 CG ASP A 11 9.312 -7.852 0.390 1.00 0.00 C ATOM 170 OD1 ASP A 11 10.509 -7.823 0.624 1.00 0.00 O ATOM 171 OD2 ASP A 11 8.650 -6.871 0.093 1.00 0.00 O ATOM 0 H ASP A 11 9.605 -8.073 2.658 1.00 0.00 H new ATOM 0 HA ASP A 11 8.254 -10.671 2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.859 -9.819 -0.387 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.517 -9.057 0.444 1.00 0.00 H new ATOM 176 N ASN A 12 10.379 -11.870 1.385 1.00 0.00 N ATOM 177 CA ASN A 12 11.676 -12.573 1.187 1.00 0.00 C ATOM 178 C ASN A 12 12.144 -12.366 -0.251 1.00 0.00 C ATOM 179 O ASN A 12 13.284 -12.619 -0.586 1.00 0.00 O ATOM 180 CB ASN A 12 11.499 -14.068 1.459 1.00 0.00 C ATOM 181 CG ASN A 12 12.743 -14.608 2.167 1.00 0.00 C ATOM 182 OD1 ASN A 12 13.884 -13.991 2.016 1.00 0.00 O flip ATOM 183 ND2 ASN A 12 12.678 -15.600 2.865 1.00 0.00 N flip ATOM 0 H ASN A 12 9.552 -12.467 1.354 1.00 0.00 H new ATOM 0 HA ASN A 12 12.418 -12.170 1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.616 -14.234 2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.339 -14.603 0.523 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.787 -16.083 2.984 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.514 -15.950 3.333 1.00 0.00 H new ATOM 190 N ASP A 13 11.276 -11.897 -1.103 1.00 0.00 N ATOM 191 CA ASP A 13 11.677 -11.662 -2.511 1.00 0.00 C ATOM 192 C ASP A 13 12.582 -10.435 -2.560 1.00 0.00 C ATOM 193 O ASP A 13 12.130 -9.314 -2.438 1.00 0.00 O ATOM 194 CB ASP A 13 10.431 -11.417 -3.365 1.00 0.00 C ATOM 195 CG ASP A 13 10.474 -12.314 -4.604 1.00 0.00 C ATOM 196 OD1 ASP A 13 11.034 -11.888 -5.601 1.00 0.00 O ATOM 197 OD2 ASP A 13 9.947 -13.412 -4.535 1.00 0.00 O ATOM 0 H ASP A 13 10.307 -11.667 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 13 12.207 -12.532 -2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.533 -11.625 -2.784 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.382 -10.370 -3.663 1.00 0.00 H new ATOM 202 N ASN A 14 13.856 -10.636 -2.747 1.00 0.00 N ATOM 203 CA ASN A 14 14.786 -9.479 -2.812 1.00 0.00 C ATOM 204 C ASN A 14 14.375 -8.590 -3.981 1.00 0.00 C ATOM 205 O ASN A 14 14.821 -7.467 -4.109 1.00 0.00 O ATOM 206 CB ASN A 14 16.216 -9.980 -3.024 1.00 0.00 C ATOM 207 CG ASN A 14 17.134 -8.794 -3.320 1.00 0.00 C ATOM 208 OD1 ASN A 14 16.912 -7.703 -2.834 1.00 0.00 O ATOM 209 ND2 ASN A 14 18.165 -8.962 -4.103 1.00 0.00 N ATOM 0 H ASN A 14 14.292 -11.552 -2.857 1.00 0.00 H new ATOM 0 HA ASN A 14 14.744 -8.914 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.563 -10.509 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.245 -10.691 -3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 14 18.784 -8.177 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 14 18.352 -9.878 -4.511 1.00 0.00 H new ATOM 216 N ALA A 15 13.519 -9.081 -4.837 1.00 0.00 N ATOM 217 CA ALA A 15 13.080 -8.258 -5.988 1.00 0.00 C ATOM 218 C ALA A 15 12.566 -6.919 -5.467 1.00 0.00 C ATOM 219 O ALA A 15 12.848 -5.870 -6.017 1.00 0.00 O ATOM 220 CB ALA A 15 11.966 -8.983 -6.746 1.00 0.00 C ATOM 0 H ALA A 15 13.109 -10.014 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 15 13.917 -8.093 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.646 -8.375 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.337 -9.942 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.121 -9.150 -6.078 1.00 0.00 H new ATOM 226 N ARG A 16 11.823 -6.947 -4.398 1.00 0.00 N ATOM 227 CA ARG A 16 11.297 -5.682 -3.824 1.00 0.00 C ATOM 228 C ARG A 16 12.473 -4.758 -3.507 1.00 0.00 C ATOM 229 O ARG A 16 12.406 -3.561 -3.703 1.00 0.00 O ATOM 230 CB ARG A 16 10.532 -5.992 -2.538 1.00 0.00 C ATOM 231 CG ARG A 16 9.195 -6.653 -2.883 1.00 0.00 C ATOM 232 CD ARG A 16 8.094 -5.591 -2.933 1.00 0.00 C ATOM 233 NE ARG A 16 7.504 -5.557 -4.301 1.00 0.00 N ATOM 234 CZ ARG A 16 6.366 -4.952 -4.512 1.00 0.00 C ATOM 235 NH1 ARG A 16 5.735 -4.374 -3.525 1.00 0.00 N ATOM 236 NH2 ARG A 16 5.858 -4.927 -5.713 1.00 0.00 N ATOM 0 H ARG A 16 11.557 -7.794 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 16 10.628 -5.198 -4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.122 -6.652 -1.902 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.361 -5.075 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.267 -7.162 -3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.950 -7.411 -2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.322 -5.816 -2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.503 -4.614 -2.677 1.00 0.00 H new ATOM 0 HE ARG A 16 7.991 -6.008 -5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.131 -4.394 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.846 -3.903 -3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.349 -5.379 -6.484 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.969 -4.455 -5.881 1.00 0.00 H new ATOM 250 N TYR A 17 13.552 -5.310 -3.021 1.00 0.00 N ATOM 251 CA TYR A 17 14.737 -4.470 -2.696 1.00 0.00 C ATOM 252 C TYR A 17 15.192 -3.742 -3.961 1.00 0.00 C ATOM 253 O TYR A 17 15.499 -2.568 -3.933 1.00 0.00 O ATOM 254 CB TYR A 17 15.869 -5.358 -2.174 1.00 0.00 C ATOM 255 CG TYR A 17 16.633 -4.617 -1.102 1.00 0.00 C ATOM 256 CD1 TYR A 17 16.931 -3.258 -1.268 1.00 0.00 C ATOM 257 CD2 TYR A 17 17.041 -5.285 0.058 1.00 0.00 C ATOM 258 CE1 TYR A 17 17.635 -2.569 -0.274 1.00 0.00 C ATOM 259 CE2 TYR A 17 17.746 -4.595 1.052 1.00 0.00 C ATOM 260 CZ TYR A 17 18.043 -3.237 0.886 1.00 0.00 C ATOM 261 OH TYR A 17 18.737 -2.557 1.866 1.00 0.00 O ATOM 0 H TYR A 17 13.663 -6.307 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 17 14.474 -3.742 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 17 15.462 -6.286 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 17 16.538 -5.631 -2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 17 16.617 -2.742 -2.163 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.812 -6.333 0.187 1.00 0.00 H new ATOM 0 HE1 TYR A 17 17.864 -1.521 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 17 18.061 -5.111 1.947 1.00 0.00 H new ATOM 0 HH TYR A 17 18.110 -2.234 2.547 1.00 0.00 H new ATOM 271 N VAL A 18 15.226 -4.425 -5.074 1.00 0.00 N ATOM 272 CA VAL A 18 15.649 -3.760 -6.338 1.00 0.00 C ATOM 273 C VAL A 18 14.781 -2.519 -6.557 1.00 0.00 C ATOM 274 O VAL A 18 15.276 -1.423 -6.747 1.00 0.00 O ATOM 275 CB VAL A 18 15.464 -4.726 -7.511 1.00 0.00 C ATOM 276 CG1 VAL A 18 15.814 -4.016 -8.820 1.00 0.00 C ATOM 277 CG2 VAL A 18 16.386 -5.932 -7.328 1.00 0.00 C ATOM 0 H VAL A 18 14.980 -5.411 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 18 16.698 -3.472 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 18 14.427 -5.060 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 18 15.682 -4.705 -9.654 1.00 0.00 H new ATOM 0 HG12 VAL A 18 15.159 -3.155 -8.953 1.00 0.00 H new ATOM 0 HG13 VAL A 18 16.851 -3.681 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 18 16.255 -6.620 -8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 18 17.422 -5.596 -7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 18 16.139 -6.441 -6.396 1.00 0.00 H new ATOM 287 N VAL A 19 13.487 -2.683 -6.521 1.00 0.00 N ATOM 288 CA VAL A 19 12.586 -1.515 -6.716 1.00 0.00 C ATOM 289 C VAL A 19 12.825 -0.508 -5.591 1.00 0.00 C ATOM 290 O VAL A 19 12.570 0.671 -5.733 1.00 0.00 O ATOM 291 CB VAL A 19 11.130 -1.982 -6.689 1.00 0.00 C ATOM 292 CG1 VAL A 19 10.205 -0.795 -6.960 1.00 0.00 C ATOM 293 CG2 VAL A 19 10.922 -3.048 -7.768 1.00 0.00 C ATOM 0 H VAL A 19 13.016 -3.574 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 19 12.793 -1.046 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 19 10.900 -2.402 -5.710 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.168 -1.130 -6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.355 -0.034 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.432 -0.373 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.885 -3.384 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.152 -2.625 -8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.581 -3.895 -7.575 1.00 0.00 H new ATOM 303 N GLU A 20 13.322 -0.964 -4.473 1.00 0.00 N ATOM 304 CA GLU A 20 13.586 -0.035 -3.341 1.00 0.00 C ATOM 305 C GLU A 20 14.855 0.766 -3.638 1.00 0.00 C ATOM 306 O GLU A 20 15.022 1.877 -3.176 1.00 0.00 O ATOM 307 CB GLU A 20 13.777 -0.838 -2.052 1.00 0.00 C ATOM 308 CG GLU A 20 14.320 0.081 -0.955 1.00 0.00 C ATOM 309 CD GLU A 20 13.520 -0.130 0.332 1.00 0.00 C ATOM 310 OE1 GLU A 20 12.693 -1.027 0.352 1.00 0.00 O ATOM 311 OE2 GLU A 20 13.749 0.609 1.275 1.00 0.00 O ATOM 0 H GLU A 20 13.556 -1.941 -4.296 1.00 0.00 H new ATOM 0 HA GLU A 20 12.742 0.644 -3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.829 -1.275 -1.739 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.467 -1.664 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.375 -0.130 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.252 1.122 -1.271 1.00 0.00 H new ATOM 318 N ALA A 21 15.746 0.214 -4.416 1.00 0.00 N ATOM 319 CA ALA A 21 16.996 0.948 -4.751 1.00 0.00 C ATOM 320 C ALA A 21 16.646 2.092 -5.697 1.00 0.00 C ATOM 321 O ALA A 21 17.099 3.208 -5.537 1.00 0.00 O ATOM 322 CB ALA A 21 17.985 0.002 -5.436 1.00 0.00 C ATOM 0 H ALA A 21 15.661 -0.713 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 21 17.453 1.338 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.899 0.545 -5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.221 -0.825 -4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.540 -0.389 -6.351 1.00 0.00 H new ATOM 328 N ILE A 22 15.830 1.823 -6.678 1.00 0.00 N ATOM 329 CA ILE A 22 15.434 2.894 -7.632 1.00 0.00 C ATOM 330 C ILE A 22 14.655 3.969 -6.872 1.00 0.00 C ATOM 331 O ILE A 22 14.907 5.151 -7.010 1.00 0.00 O ATOM 332 CB ILE A 22 14.549 2.296 -8.727 1.00 0.00 C ATOM 333 CG1 ILE A 22 15.204 1.024 -9.273 1.00 0.00 C ATOM 334 CG2 ILE A 22 14.382 3.308 -9.861 1.00 0.00 C ATOM 335 CD1 ILE A 22 14.472 0.575 -10.539 1.00 0.00 C ATOM 0 H ILE A 22 15.420 0.907 -6.860 1.00 0.00 H new ATOM 0 HA ILE A 22 16.321 3.334 -8.088 1.00 0.00 H new ATOM 0 HB ILE A 22 13.571 2.054 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.255 1.210 -9.495 1.00 0.00 H new ATOM 0 HG13 ILE A 22 15.171 0.235 -8.522 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.751 2.880 -10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.916 4.214 -9.474 1.00 0.00 H new ATOM 0 HG23 ILE A 22 15.359 3.552 -10.278 1.00 0.00 H new ATOM 0 HD11 ILE A 22 14.939 -0.330 -10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.427 0.372 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 22 14.528 1.363 -11.290 1.00 0.00 H new ATOM 347 N ILE A 23 13.712 3.565 -6.065 1.00 0.00 N ATOM 348 CA ILE A 23 12.917 4.556 -5.290 1.00 0.00 C ATOM 349 C ILE A 23 13.864 5.457 -4.500 1.00 0.00 C ATOM 350 O ILE A 23 13.757 6.667 -4.536 1.00 0.00 O ATOM 351 CB ILE A 23 11.987 3.822 -4.324 1.00 0.00 C ATOM 352 CG1 ILE A 23 10.999 2.969 -5.122 1.00 0.00 C ATOM 353 CG2 ILE A 23 11.218 4.840 -3.481 1.00 0.00 C ATOM 354 CD1 ILE A 23 10.426 1.873 -4.221 1.00 0.00 C ATOM 0 H ILE A 23 13.458 2.589 -5.910 1.00 0.00 H new ATOM 0 HA ILE A 23 12.323 5.162 -5.974 1.00 0.00 H new ATOM 0 HB ILE A 23 12.576 3.181 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.194 3.593 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.499 2.523 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.555 4.316 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.922 5.449 -2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 23 10.628 5.482 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.722 1.265 -4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.236 1.242 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.911 2.329 -3.376 1.00 0.00 H new ATOM 366 N GLN A 24 14.798 4.883 -3.793 1.00 0.00 N ATOM 367 CA GLN A 24 15.751 5.720 -3.017 1.00 0.00 C ATOM 368 C GLN A 24 16.529 6.597 -3.993 1.00 0.00 C ATOM 369 O GLN A 24 16.885 7.717 -3.688 1.00 0.00 O ATOM 370 CB GLN A 24 16.717 4.821 -2.243 1.00 0.00 C ATOM 371 CG GLN A 24 15.948 4.054 -1.165 1.00 0.00 C ATOM 372 CD GLN A 24 16.751 2.822 -0.743 1.00 0.00 C ATOM 373 OE1 GLN A 24 16.195 1.858 -0.255 1.00 0.00 O ATOM 374 NE2 GLN A 24 18.045 2.813 -0.912 1.00 0.00 N ATOM 0 H GLN A 24 14.941 3.876 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 24 15.209 6.344 -2.306 1.00 0.00 H new ATOM 0 HB2 GLN A 24 17.205 4.123 -2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 24 17.503 5.422 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 24 15.770 4.697 -0.303 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.972 3.752 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 24 18.511 3.622 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 24 18.590 1.997 -0.634 1.00 0.00 H new ATOM 383 N ASP A 25 16.778 6.105 -5.178 1.00 0.00 N ATOM 384 CA ASP A 25 17.511 6.928 -6.175 1.00 0.00 C ATOM 385 C ASP A 25 16.878 8.315 -6.188 1.00 0.00 C ATOM 386 O ASP A 25 17.548 9.321 -6.316 1.00 0.00 O ATOM 387 CB ASP A 25 17.391 6.291 -7.561 1.00 0.00 C ATOM 388 CG ASP A 25 18.660 6.578 -8.367 1.00 0.00 C ATOM 389 OD1 ASP A 25 19.624 5.851 -8.195 1.00 0.00 O ATOM 390 OD2 ASP A 25 18.644 7.519 -9.143 1.00 0.00 O ATOM 0 H ASP A 25 16.506 5.174 -5.494 1.00 0.00 H new ATOM 0 HA ASP A 25 18.567 6.993 -5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 25 17.243 5.215 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 25 16.519 6.688 -8.081 1.00 0.00 H new ATOM 395 N ASN A 26 15.583 8.370 -6.036 1.00 0.00 N ATOM 396 CA ASN A 26 14.886 9.682 -6.015 1.00 0.00 C ATOM 397 C ASN A 26 15.048 10.303 -4.625 1.00 0.00 C ATOM 398 O ASN A 26 14.864 9.635 -3.627 1.00 0.00 O ATOM 399 CB ASN A 26 13.400 9.472 -6.312 1.00 0.00 C ATOM 400 CG ASN A 26 13.242 8.762 -7.658 1.00 0.00 C ATOM 401 OD1 ASN A 26 13.148 9.400 -8.688 1.00 0.00 O ATOM 402 ND2 ASN A 26 13.206 7.457 -7.694 1.00 0.00 N ATOM 0 H ASN A 26 14.977 7.557 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 26 15.313 10.344 -6.768 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.941 8.880 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 26 12.884 10.432 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.099 6.974 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 26 13.285 6.921 -6.830 1.00 0.00 H new ATOM 409 N PRO A 27 15.391 11.562 -4.603 1.00 0.00 N ATOM 410 CA PRO A 27 15.569 12.224 -3.292 1.00 0.00 C ATOM 411 C PRO A 27 14.219 12.713 -2.766 1.00 0.00 C ATOM 412 O PRO A 27 14.088 13.834 -2.315 1.00 0.00 O ATOM 413 CB PRO A 27 16.499 13.415 -3.551 1.00 0.00 C ATOM 414 CG PRO A 27 16.837 13.424 -5.056 1.00 0.00 C ATOM 415 CD PRO A 27 16.103 12.244 -5.704 1.00 0.00 C ATOM 0 HA PRO A 27 15.984 11.544 -2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.016 14.348 -3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.407 13.328 -2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.528 14.364 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 27 17.913 13.335 -5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 27 15.405 12.589 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 27 16.804 11.569 -6.194 1.00 0.00 H new ATOM 423 N HIS A 28 13.210 11.888 -2.826 1.00 0.00 N ATOM 424 CA HIS A 28 11.875 12.318 -2.338 1.00 0.00 C ATOM 425 C HIS A 28 11.104 11.107 -1.810 1.00 0.00 C ATOM 426 O HIS A 28 10.503 11.153 -0.755 1.00 0.00 O ATOM 427 CB HIS A 28 11.111 12.943 -3.500 1.00 0.00 C ATOM 428 CG HIS A 28 10.127 13.952 -2.975 1.00 0.00 C ATOM 429 ND1 HIS A 28 8.965 14.275 -3.658 1.00 0.00 N ATOM 430 CD2 HIS A 28 10.118 14.720 -1.836 1.00 0.00 C ATOM 431 CE1 HIS A 28 8.312 15.200 -2.932 1.00 0.00 C ATOM 432 NE2 HIS A 28 8.971 15.508 -1.811 1.00 0.00 N ATOM 0 H HIS A 28 13.255 10.937 -3.192 1.00 0.00 H new ATOM 0 HA HIS A 28 11.990 13.043 -1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.806 13.423 -4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.588 12.169 -4.062 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.885 14.713 -1.075 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.369 15.641 -3.220 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.693 16.176 -1.092 1.00 0.00 H new ATOM 440 N ALA A 29 11.114 10.023 -2.537 1.00 0.00 N ATOM 441 CA ALA A 29 10.378 8.810 -2.077 1.00 0.00 C ATOM 442 C ALA A 29 10.935 8.354 -0.725 1.00 0.00 C ATOM 443 O ALA A 29 12.119 8.450 -0.467 1.00 0.00 O ATOM 444 CB ALA A 29 10.554 7.689 -3.103 1.00 0.00 C ATOM 0 H ALA A 29 11.599 9.924 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 29 9.319 9.047 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.017 6.802 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.158 8.011 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.613 7.454 -3.207 1.00 0.00 H new ATOM 450 N VAL A 30 10.093 7.856 0.141 1.00 0.00 N ATOM 451 CA VAL A 30 10.583 7.395 1.472 1.00 0.00 C ATOM 452 C VAL A 30 10.713 5.870 1.469 1.00 0.00 C ATOM 453 O VAL A 30 9.878 5.167 0.934 1.00 0.00 O ATOM 454 CB VAL A 30 9.592 7.819 2.556 1.00 0.00 C ATOM 455 CG1 VAL A 30 10.244 7.669 3.932 1.00 0.00 C ATOM 456 CG2 VAL A 30 9.193 9.281 2.339 1.00 0.00 C ATOM 0 H VAL A 30 9.091 7.749 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 30 11.556 7.842 1.674 1.00 0.00 H new ATOM 0 HB VAL A 30 8.705 7.187 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.537 7.971 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.529 6.629 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.131 8.300 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.486 9.584 3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.080 9.912 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.728 9.390 1.359 1.00 0.00 H new ATOM 466 N VAL A 31 11.753 5.353 2.065 1.00 0.00 N ATOM 467 CA VAL A 31 11.937 3.874 2.097 1.00 0.00 C ATOM 468 C VAL A 31 13.061 3.529 3.078 1.00 0.00 C ATOM 469 O VAL A 31 13.811 4.386 3.501 1.00 0.00 O ATOM 470 CB VAL A 31 12.309 3.348 0.702 1.00 0.00 C ATOM 471 CG1 VAL A 31 11.234 2.368 0.225 1.00 0.00 C ATOM 472 CG2 VAL A 31 12.416 4.506 -0.298 1.00 0.00 C ATOM 0 H VAL A 31 12.483 5.891 2.531 1.00 0.00 H new ATOM 0 HA VAL A 31 11.003 3.409 2.413 1.00 0.00 H new ATOM 0 HB VAL A 31 13.273 2.844 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.496 1.994 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.167 1.533 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.272 2.878 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 31 12.680 4.115 -1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 31 11.459 5.024 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.185 5.203 0.034 1.00 0.00 H new ATOM 482 N GLN A 32 13.185 2.282 3.440 1.00 0.00 N ATOM 483 CA GLN A 32 14.264 1.887 4.390 1.00 0.00 C ATOM 484 C GLN A 32 14.703 0.452 4.090 1.00 0.00 C ATOM 485 O GLN A 32 15.540 0.218 3.241 1.00 0.00 O ATOM 486 CB GLN A 32 13.740 1.981 5.825 1.00 0.00 C ATOM 487 CG GLN A 32 14.237 3.280 6.462 1.00 0.00 C ATOM 488 CD GLN A 32 15.671 3.088 6.958 1.00 0.00 C ATOM 489 OE1 GLN A 32 15.888 2.637 8.065 1.00 0.00 O ATOM 490 NE2 GLN A 32 16.667 3.411 6.178 1.00 0.00 N ATOM 0 H GLN A 32 12.587 1.520 3.120 1.00 0.00 H new ATOM 0 HA GLN A 32 15.117 2.556 4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.650 1.955 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 32 14.082 1.124 6.406 1.00 0.00 H new ATOM 0 HG2 GLN A 32 14.198 4.092 5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.589 3.562 7.291 1.00 0.00 H new ATOM 0 HE21 GLN A 32 16.485 3.790 5.249 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.627 3.285 6.498 1.00 0.00 H new ATOM 499 N HIS A 33 14.141 -0.512 4.768 1.00 0.00 N ATOM 500 CA HIS A 33 14.526 -1.928 4.509 1.00 0.00 C ATOM 501 C HIS A 33 16.040 -2.095 4.675 1.00 0.00 C ATOM 502 O HIS A 33 16.818 -1.609 3.879 1.00 0.00 O ATOM 503 CB HIS A 33 14.124 -2.298 3.081 1.00 0.00 C ATOM 504 CG HIS A 33 14.261 -3.782 2.885 1.00 0.00 C ATOM 505 ND1 HIS A 33 14.098 -4.683 3.926 1.00 0.00 N ATOM 506 CD2 HIS A 33 14.545 -4.538 1.775 1.00 0.00 C ATOM 507 CE1 HIS A 33 14.284 -5.918 3.425 1.00 0.00 C ATOM 508 NE2 HIS A 33 14.560 -5.887 2.119 1.00 0.00 N ATOM 0 H HIS A 33 13.432 -0.380 5.490 1.00 0.00 H new ATOM 0 HA HIS A 33 14.018 -2.581 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.096 -1.990 2.891 1.00 0.00 H new ATOM 0 HB3 HIS A 33 14.753 -1.767 2.367 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.729 -4.146 0.786 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.218 -6.824 4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 33 14.743 -6.681 1.505 1.00 0.00 H new ATOM 516 N HIS A 34 16.464 -2.788 5.697 1.00 0.00 N ATOM 517 CA HIS A 34 17.927 -2.990 5.902 1.00 0.00 C ATOM 518 C HIS A 34 18.162 -4.279 6.697 1.00 0.00 C ATOM 519 O HIS A 34 18.776 -5.203 6.201 1.00 0.00 O ATOM 520 CB HIS A 34 18.515 -1.800 6.664 1.00 0.00 C ATOM 521 CG HIS A 34 19.515 -1.091 5.791 1.00 0.00 C ATOM 522 ND1 HIS A 34 19.600 -0.941 4.428 1.00 0.00 N flip ATOM 523 CD2 HIS A 34 20.610 -0.423 6.314 1.00 0.00 C flip ATOM 524 CE1 HIS A 34 20.729 -0.192 4.110 1.00 0.00 C flip ATOM 525 NE2 HIS A 34 21.302 0.095 5.282 1.00 0.00 N flip ATOM 0 H HIS A 34 15.862 -3.222 6.397 1.00 0.00 H new ATOM 0 HA HIS A 34 18.417 -3.069 4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 34 17.721 -1.114 6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 34 18.995 -2.143 7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 34 20.863 -0.334 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 34 21.069 0.096 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 34 22.159 0.640 5.383 1.00 0.00 H new ATOM 533 N PRO A 35 17.663 -4.306 7.907 1.00 0.00 N ATOM 534 CA PRO A 35 17.860 -5.532 8.714 1.00 0.00 C ATOM 535 C PRO A 35 17.075 -6.691 8.095 1.00 0.00 C ATOM 536 O PRO A 35 17.622 -7.535 7.414 1.00 0.00 O ATOM 537 CB PRO A 35 17.312 -5.210 10.108 1.00 0.00 C ATOM 538 CG PRO A 35 16.691 -3.800 10.048 1.00 0.00 C ATOM 539 CD PRO A 35 16.959 -3.233 8.647 1.00 0.00 C ATOM 0 HA PRO A 35 18.909 -5.825 8.755 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.565 -5.946 10.405 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.109 -5.247 10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.620 -3.845 10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 35 17.128 -3.156 10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.028 -2.961 8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.567 -2.330 8.700 1.00 0.00 H new ATOM 547 N ALA A 36 15.792 -6.733 8.329 1.00 0.00 N ATOM 548 CA ALA A 36 14.961 -7.830 7.759 1.00 0.00 C ATOM 549 C ALA A 36 13.609 -7.263 7.321 1.00 0.00 C ATOM 550 O ALA A 36 13.192 -7.423 6.191 1.00 0.00 O ATOM 551 CB ALA A 36 14.745 -8.908 8.822 1.00 0.00 C ATOM 0 H ALA A 36 15.282 -6.052 8.892 1.00 0.00 H new ATOM 0 HA ALA A 36 15.468 -8.267 6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.137 -9.712 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.709 -9.308 9.136 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.235 -8.474 9.682 1.00 0.00 H new ATOM 557 N MET A 37 12.923 -6.594 8.207 1.00 0.00 N ATOM 558 CA MET A 37 11.601 -6.008 7.842 1.00 0.00 C ATOM 559 C MET A 37 11.821 -4.813 6.914 1.00 0.00 C ATOM 560 O MET A 37 12.881 -4.219 6.899 1.00 0.00 O ATOM 561 CB MET A 37 10.884 -5.542 9.111 1.00 0.00 C ATOM 562 CG MET A 37 11.877 -4.813 10.018 1.00 0.00 C ATOM 563 SD MET A 37 11.222 -3.178 10.436 1.00 0.00 S ATOM 564 CE MET A 37 12.709 -2.230 10.030 1.00 0.00 C ATOM 0 H MET A 37 13.221 -6.428 9.168 1.00 0.00 H new ATOM 0 HA MET A 37 10.993 -6.758 7.336 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.057 -4.880 8.852 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.456 -6.397 9.635 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.049 -5.391 10.926 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.840 -4.714 9.516 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.528 -1.171 10.216 1.00 0.00 H new ATOM 0 HE2 MET A 37 13.538 -2.571 10.650 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.958 -2.376 8.979 1.00 0.00 H new ATOM 574 N ILE A 38 10.835 -4.450 6.138 1.00 0.00 N ATOM 575 CA ILE A 38 11.020 -3.283 5.221 1.00 0.00 C ATOM 576 C ILE A 38 9.941 -2.231 5.513 1.00 0.00 C ATOM 577 O ILE A 38 8.965 -2.501 6.183 1.00 0.00 O ATOM 578 CB ILE A 38 10.966 -3.749 3.746 1.00 0.00 C ATOM 579 CG1 ILE A 38 9.573 -3.476 3.135 1.00 0.00 C ATOM 580 CG2 ILE A 38 11.299 -5.246 3.671 1.00 0.00 C ATOM 581 CD1 ILE A 38 9.244 -4.504 2.043 1.00 0.00 C ATOM 0 H ILE A 38 9.921 -4.902 6.097 1.00 0.00 H new ATOM 0 HA ILE A 38 11.998 -2.833 5.391 1.00 0.00 H new ATOM 0 HB ILE A 38 11.701 -3.186 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.814 -3.514 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.546 -2.471 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.261 -5.576 2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.299 -5.417 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.573 -5.810 4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.259 -4.291 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 38 9.991 -4.446 1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.248 -5.506 2.473 1.00 0.00 H new ATOM 593 N ARG A 39 10.115 -1.032 5.025 1.00 0.00 N ATOM 594 CA ARG A 39 9.104 0.031 5.289 1.00 0.00 C ATOM 595 C ARG A 39 8.747 0.749 3.985 1.00 0.00 C ATOM 596 O ARG A 39 9.509 0.759 3.039 1.00 0.00 O ATOM 597 CB ARG A 39 9.680 1.046 6.278 1.00 0.00 C ATOM 598 CG ARG A 39 9.852 0.389 7.650 1.00 0.00 C ATOM 599 CD ARG A 39 11.184 0.826 8.259 1.00 0.00 C ATOM 600 NE ARG A 39 10.963 1.301 9.661 1.00 0.00 N ATOM 601 CZ ARG A 39 10.021 2.164 9.946 1.00 0.00 C ATOM 602 NH1 ARG A 39 9.367 2.780 8.996 1.00 0.00 N ATOM 603 NH2 ARG A 39 9.771 2.457 11.194 1.00 0.00 N ATOM 0 H ARG A 39 10.911 -0.744 4.457 1.00 0.00 H new ATOM 0 HA ARG A 39 8.207 -0.427 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.640 1.415 5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.017 1.908 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.029 0.672 8.307 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.823 -0.696 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.889 -0.006 8.253 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.626 1.622 7.660 1.00 0.00 H new ATOM 0 HE ARG A 39 11.558 0.945 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.589 2.590 8.019 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.635 3.450 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.308 2.014 11.939 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.038 3.129 11.423 1.00 0.00 H new ATOM 617 N ILE A 40 7.592 1.357 3.935 1.00 0.00 N ATOM 618 CA ILE A 40 7.179 2.083 2.704 1.00 0.00 C ATOM 619 C ILE A 40 6.211 3.206 3.087 1.00 0.00 C ATOM 620 O ILE A 40 5.800 3.311 4.221 1.00 0.00 O ATOM 621 CB ILE A 40 6.487 1.111 1.752 1.00 0.00 C ATOM 622 CG1 ILE A 40 7.242 -0.219 1.744 1.00 0.00 C ATOM 623 CG2 ILE A 40 6.476 1.698 0.340 1.00 0.00 C ATOM 624 CD1 ILE A 40 6.516 -1.209 0.832 1.00 0.00 C ATOM 0 H ILE A 40 6.916 1.381 4.698 1.00 0.00 H new ATOM 0 HA ILE A 40 8.054 2.507 2.212 1.00 0.00 H new ATOM 0 HB ILE A 40 5.462 0.946 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.264 -0.068 1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.307 -0.619 2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.982 1.003 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.938 2.646 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.501 1.864 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.052 -2.158 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.503 -1.368 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.475 -0.808 -0.181 1.00 0.00 H new ATOM 636 N GLU A 41 5.853 4.046 2.152 1.00 0.00 N ATOM 637 CA GLU A 41 4.915 5.171 2.456 1.00 0.00 C ATOM 638 C GLU A 41 4.853 6.098 1.243 1.00 0.00 C ATOM 639 O GLU A 41 5.831 6.291 0.548 1.00 0.00 O ATOM 640 CB GLU A 41 5.431 5.957 3.664 1.00 0.00 C ATOM 641 CG GLU A 41 4.514 7.152 3.926 1.00 0.00 C ATOM 642 CD GLU A 41 5.346 8.337 4.416 1.00 0.00 C ATOM 643 OE1 GLU A 41 6.010 8.191 5.429 1.00 0.00 O ATOM 644 OE2 GLU A 41 5.307 9.371 3.770 1.00 0.00 O ATOM 0 H GLU A 41 6.171 4.002 1.184 1.00 0.00 H new ATOM 0 HA GLU A 41 3.924 4.776 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.466 5.313 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.449 6.300 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.981 7.421 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.762 6.890 4.670 1.00 0.00 H new ATOM 651 N ALA A 42 3.714 6.672 0.976 1.00 0.00 N ATOM 652 CA ALA A 42 3.602 7.579 -0.199 1.00 0.00 C ATOM 653 C ALA A 42 2.656 8.736 0.127 1.00 0.00 C ATOM 654 O ALA A 42 2.357 9.007 1.273 1.00 0.00 O ATOM 655 CB ALA A 42 3.055 6.791 -1.391 1.00 0.00 C ATOM 0 H ALA A 42 2.858 6.553 1.518 1.00 0.00 H new ATOM 0 HA ALA A 42 4.585 7.981 -0.443 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.971 7.450 -2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.732 5.970 -1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.072 6.391 -1.142 1.00 0.00 H new ATOM 661 N GLU A 43 2.183 9.416 -0.879 1.00 0.00 N ATOM 662 CA GLU A 43 1.254 10.556 -0.651 1.00 0.00 C ATOM 663 C GLU A 43 0.170 10.532 -1.734 1.00 0.00 C ATOM 664 O GLU A 43 0.273 11.212 -2.735 1.00 0.00 O ATOM 665 CB GLU A 43 2.033 11.871 -0.734 1.00 0.00 C ATOM 666 CG GLU A 43 3.122 11.889 0.341 1.00 0.00 C ATOM 667 CD GLU A 43 4.499 11.811 -0.323 1.00 0.00 C ATOM 668 OE1 GLU A 43 4.860 12.755 -1.005 1.00 0.00 O ATOM 669 OE2 GLU A 43 5.168 10.808 -0.136 1.00 0.00 O ATOM 0 H GLU A 43 2.402 9.229 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 43 0.795 10.473 0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.481 11.979 -1.722 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.357 12.715 -0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.045 12.799 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.988 11.050 1.023 1.00 0.00 H new ATOM 676 N LYS A 44 -0.858 9.741 -1.558 1.00 0.00 N ATOM 677 CA LYS A 44 -1.921 9.673 -2.604 1.00 0.00 C ATOM 678 C LYS A 44 -3.310 9.856 -1.983 1.00 0.00 C ATOM 679 O LYS A 44 -3.454 10.299 -0.863 1.00 0.00 O ATOM 680 CB LYS A 44 -1.868 8.314 -3.312 1.00 0.00 C ATOM 681 CG LYS A 44 -0.422 7.813 -3.407 1.00 0.00 C ATOM 682 CD LYS A 44 0.253 8.424 -4.636 1.00 0.00 C ATOM 683 CE LYS A 44 1.716 7.979 -4.687 1.00 0.00 C ATOM 684 NZ LYS A 44 2.336 8.449 -5.958 1.00 0.00 N ATOM 0 H LYS A 44 -1.006 9.145 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.743 10.475 -3.320 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.475 7.590 -2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.295 8.401 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.127 8.084 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.407 6.725 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.265 8.111 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.194 9.512 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.260 8.384 -3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.779 6.893 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.330 8.146 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.822 8.042 -6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.288 9.487 -6.004 1.00 0.00 H new ATOM 698 N ARG A 45 -4.334 9.524 -2.724 1.00 0.00 N ATOM 699 CA ARG A 45 -5.728 9.683 -2.215 1.00 0.00 C ATOM 700 C ARG A 45 -6.679 8.892 -3.115 1.00 0.00 C ATOM 701 O ARG A 45 -6.322 8.508 -4.210 1.00 0.00 O ATOM 702 CB ARG A 45 -6.110 11.159 -2.288 1.00 0.00 C ATOM 703 CG ARG A 45 -6.252 11.553 -3.762 1.00 0.00 C ATOM 704 CD ARG A 45 -6.662 13.023 -3.866 1.00 0.00 C ATOM 705 NE ARG A 45 -8.049 13.116 -4.406 1.00 0.00 N ATOM 706 CZ ARG A 45 -8.719 14.234 -4.305 1.00 0.00 C ATOM 707 NH1 ARG A 45 -8.175 15.276 -3.738 1.00 0.00 N ATOM 708 NH2 ARG A 45 -9.934 14.308 -4.774 1.00 0.00 N ATOM 0 H ARG A 45 -4.263 9.146 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.793 9.322 -1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.046 11.335 -1.757 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.349 11.771 -1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.309 11.391 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.997 10.922 -4.247 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.610 13.496 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.971 13.559 -4.516 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.476 12.306 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.225 15.219 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.700 16.147 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.360 13.495 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.459 15.179 -4.696 1.00 0.00 H new ATOM 722 N LEU A 46 -7.890 8.660 -2.685 1.00 0.00 N ATOM 723 CA LEU A 46 -8.836 7.914 -3.557 1.00 0.00 C ATOM 724 C LEU A 46 -10.271 8.079 -3.054 1.00 0.00 C ATOM 725 O LEU A 46 -10.516 8.241 -1.875 1.00 0.00 O ATOM 726 CB LEU A 46 -8.475 6.435 -3.552 1.00 0.00 C ATOM 727 CG LEU A 46 -8.369 5.915 -4.988 1.00 0.00 C ATOM 728 CD1 LEU A 46 -9.712 6.094 -5.694 1.00 0.00 C ATOM 729 CD2 LEU A 46 -7.286 6.690 -5.746 1.00 0.00 C ATOM 0 H LEU A 46 -8.260 8.951 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.764 8.313 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.529 6.285 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.231 5.870 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.104 4.858 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.638 5.724 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.481 5.535 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.977 7.151 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.217 6.314 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.543 7.749 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.327 6.559 -5.245 1.00 0.00 H new ATOM 741 N GLU A 47 -11.222 8.022 -3.947 1.00 0.00 N ATOM 742 CA GLU A 47 -12.649 8.154 -3.539 1.00 0.00 C ATOM 743 C GLU A 47 -13.491 7.213 -4.403 1.00 0.00 C ATOM 744 O GLU A 47 -13.254 7.069 -5.586 1.00 0.00 O ATOM 745 CB GLU A 47 -13.116 9.597 -3.746 1.00 0.00 C ATOM 746 CG GLU A 47 -12.914 9.996 -5.208 1.00 0.00 C ATOM 747 CD GLU A 47 -12.223 11.359 -5.274 1.00 0.00 C ATOM 748 OE1 GLU A 47 -12.259 12.068 -4.281 1.00 0.00 O ATOM 749 OE2 GLU A 47 -11.669 11.672 -6.315 1.00 0.00 O ATOM 0 H GLU A 47 -11.070 7.889 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.760 7.895 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.167 9.692 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.556 10.268 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.312 9.246 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.875 10.038 -5.721 1.00 0.00 H new ATOM 756 N ILE A 48 -14.459 6.557 -3.826 1.00 0.00 N ATOM 757 CA ILE A 48 -15.288 5.618 -4.625 1.00 0.00 C ATOM 758 C ILE A 48 -16.759 5.732 -4.220 1.00 0.00 C ATOM 759 O ILE A 48 -17.093 6.264 -3.179 1.00 0.00 O ATOM 760 CB ILE A 48 -14.805 4.193 -4.372 1.00 0.00 C ATOM 761 CG1 ILE A 48 -14.335 4.057 -2.922 1.00 0.00 C ATOM 762 CG2 ILE A 48 -13.645 3.874 -5.315 1.00 0.00 C ATOM 763 CD1 ILE A 48 -14.093 2.581 -2.602 1.00 0.00 C ATOM 0 H ILE A 48 -14.710 6.631 -2.840 1.00 0.00 H new ATOM 0 HA ILE A 48 -15.193 5.866 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.624 3.497 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.419 4.628 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -15.084 4.469 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -13.299 2.856 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -13.980 3.966 -6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -12.827 4.572 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -13.758 2.483 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.019 2.023 -2.738 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -13.329 2.184 -3.270 1.00 0.00 H new ATOM 775 N ARG A 49 -17.640 5.225 -5.040 1.00 0.00 N ATOM 776 CA ARG A 49 -19.093 5.290 -4.719 1.00 0.00 C ATOM 777 C ARG A 49 -19.523 3.982 -4.046 1.00 0.00 C ATOM 778 O ARG A 49 -18.759 3.362 -3.333 1.00 0.00 O ATOM 779 CB ARG A 49 -19.886 5.496 -6.012 1.00 0.00 C ATOM 780 CG ARG A 49 -19.398 6.766 -6.713 1.00 0.00 C ATOM 781 CD ARG A 49 -19.590 6.622 -8.223 1.00 0.00 C ATOM 782 NE ARG A 49 -18.362 7.100 -8.934 1.00 0.00 N ATOM 783 CZ ARG A 49 -17.823 8.260 -8.656 1.00 0.00 C ATOM 784 NH1 ARG A 49 -18.445 9.120 -7.894 1.00 0.00 N ATOM 785 NH2 ARG A 49 -16.679 8.586 -9.194 1.00 0.00 N ATOM 0 H ARG A 49 -17.413 4.767 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.286 6.122 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.762 4.635 -6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -20.950 5.576 -5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -19.950 7.631 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -18.346 6.939 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.787 5.580 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -20.457 7.198 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.937 6.510 -9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -19.361 8.891 -7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.014 10.021 -7.685 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.210 7.938 -9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.254 9.489 -8.981 1.00 0.00 H new ATOM 799 N ARG A 50 -20.739 3.556 -4.263 1.00 0.00 N ATOM 800 CA ARG A 50 -21.210 2.291 -3.631 1.00 0.00 C ATOM 801 C ARG A 50 -20.857 1.103 -4.528 1.00 0.00 C ATOM 802 O ARG A 50 -20.449 0.060 -4.058 1.00 0.00 O ATOM 803 CB ARG A 50 -22.727 2.349 -3.438 1.00 0.00 C ATOM 804 CG ARG A 50 -23.101 1.648 -2.132 1.00 0.00 C ATOM 805 CD ARG A 50 -24.369 0.822 -2.341 1.00 0.00 C ATOM 806 NE ARG A 50 -25.328 1.079 -1.220 1.00 0.00 N ATOM 807 CZ ARG A 50 -24.942 1.024 0.030 1.00 0.00 C ATOM 808 NH1 ARG A 50 -23.763 0.558 0.347 1.00 0.00 N ATOM 809 NH2 ARG A 50 -25.767 1.384 0.975 1.00 0.00 N ATOM 0 H ARG A 50 -21.425 4.030 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 50 -20.723 2.170 -2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -23.062 3.386 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -23.230 1.869 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -22.284 1.004 -1.806 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -23.260 2.384 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -24.830 1.081 -3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -24.121 -0.239 -2.385 1.00 0.00 H new ATOM 0 HE ARG A 50 -26.300 1.301 -1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -23.130 0.231 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.475 0.521 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -26.705 1.705 0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.473 1.344 1.951 1.00 0.00 H new ATOM 823 N GLU A 51 -21.010 1.248 -5.816 1.00 0.00 N ATOM 824 CA GLU A 51 -20.679 0.122 -6.734 1.00 0.00 C ATOM 825 C GLU A 51 -19.241 -0.329 -6.473 1.00 0.00 C ATOM 826 O GLU A 51 -18.896 -1.491 -6.618 1.00 0.00 O ATOM 827 CB GLU A 51 -20.818 0.588 -8.184 1.00 0.00 C ATOM 828 CG GLU A 51 -20.865 -0.629 -9.110 1.00 0.00 C ATOM 829 CD GLU A 51 -20.922 -0.161 -10.565 1.00 0.00 C ATOM 830 OE1 GLU A 51 -20.857 1.038 -10.783 1.00 0.00 O ATOM 831 OE2 GLU A 51 -21.029 -1.008 -11.436 1.00 0.00 O ATOM 0 H GLU A 51 -21.349 2.095 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 51 -21.361 -0.710 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -21.724 1.182 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.979 1.230 -8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.986 -1.254 -8.952 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -21.737 -1.241 -8.879 1.00 0.00 H new ATOM 838 N THR A 52 -18.395 0.578 -6.077 1.00 0.00 N ATOM 839 CA THR A 52 -16.992 0.188 -5.798 1.00 0.00 C ATOM 840 C THR A 52 -16.988 -0.825 -4.659 1.00 0.00 C ATOM 841 O THR A 52 -16.263 -1.793 -4.687 1.00 0.00 O ATOM 842 CB THR A 52 -16.178 1.419 -5.404 1.00 0.00 C ATOM 843 OG1 THR A 52 -16.707 2.561 -6.063 1.00 0.00 O ATOM 844 CG2 THR A 52 -14.720 1.216 -5.816 1.00 0.00 C ATOM 0 H THR A 52 -18.614 1.564 -5.936 1.00 0.00 H new ATOM 0 HA THR A 52 -16.544 -0.253 -6.689 1.00 0.00 H new ATOM 0 HB THR A 52 -16.231 1.566 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.981 3.052 -6.501 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.137 2.093 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.318 0.337 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.663 1.072 -6.895 1.00 0.00 H new ATOM 852 N VAL A 53 -17.811 -0.625 -3.665 1.00 0.00 N ATOM 853 CA VAL A 53 -17.859 -1.602 -2.544 1.00 0.00 C ATOM 854 C VAL A 53 -17.907 -3.004 -3.141 1.00 0.00 C ATOM 855 O VAL A 53 -17.367 -3.947 -2.596 1.00 0.00 O ATOM 856 CB VAL A 53 -19.112 -1.361 -1.700 1.00 0.00 C ATOM 857 CG1 VAL A 53 -19.051 -2.222 -0.437 1.00 0.00 C ATOM 858 CG2 VAL A 53 -19.189 0.116 -1.308 1.00 0.00 C ATOM 0 H VAL A 53 -18.448 0.168 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 53 -16.981 -1.489 -1.908 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.996 -1.629 -2.279 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.944 -2.050 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.999 -3.274 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.167 -1.956 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -20.082 0.287 -0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.305 0.386 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -19.235 0.729 -2.208 1.00 0.00 H new ATOM 868 N GLU A 54 -18.534 -3.141 -4.276 1.00 0.00 N ATOM 869 CA GLU A 54 -18.598 -4.471 -4.932 1.00 0.00 C ATOM 870 C GLU A 54 -17.207 -4.795 -5.464 1.00 0.00 C ATOM 871 O GLU A 54 -16.695 -5.881 -5.286 1.00 0.00 O ATOM 872 CB GLU A 54 -19.603 -4.428 -6.090 1.00 0.00 C ATOM 873 CG GLU A 54 -19.355 -5.606 -7.036 1.00 0.00 C ATOM 874 CD GLU A 54 -20.693 -6.160 -7.530 1.00 0.00 C ATOM 875 OE1 GLU A 54 -21.650 -5.403 -7.561 1.00 0.00 O ATOM 876 OE2 GLU A 54 -20.738 -7.331 -7.870 1.00 0.00 O ATOM 0 H GLU A 54 -19.005 -2.387 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.920 -5.233 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -20.621 -4.469 -5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -19.507 -3.488 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.749 -5.284 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -18.795 -6.387 -6.521 1.00 0.00 H new ATOM 883 N GLU A 55 -16.585 -3.849 -6.113 1.00 0.00 N ATOM 884 CA GLU A 55 -15.219 -4.097 -6.651 1.00 0.00 C ATOM 885 C GLU A 55 -14.313 -4.618 -5.529 1.00 0.00 C ATOM 886 O GLU A 55 -13.712 -5.668 -5.646 1.00 0.00 O ATOM 887 CB GLU A 55 -14.648 -2.793 -7.210 1.00 0.00 C ATOM 888 CG GLU A 55 -15.576 -2.258 -8.302 1.00 0.00 C ATOM 889 CD GLU A 55 -15.913 -3.383 -9.282 1.00 0.00 C ATOM 890 OE1 GLU A 55 -15.009 -3.840 -9.961 1.00 0.00 O ATOM 891 OE2 GLU A 55 -17.069 -3.771 -9.335 1.00 0.00 O ATOM 0 H GLU A 55 -16.962 -2.919 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.270 -4.840 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.545 -2.057 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.651 -2.964 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.489 -1.864 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.097 -1.433 -8.829 1.00 0.00 H new ATOM 898 N ASN A 56 -14.210 -3.899 -4.442 1.00 0.00 N ATOM 899 CA ASN A 56 -13.345 -4.364 -3.322 1.00 0.00 C ATOM 900 C ASN A 56 -13.777 -5.768 -2.901 1.00 0.00 C ATOM 901 O ASN A 56 -12.966 -6.589 -2.523 1.00 0.00 O ATOM 902 CB ASN A 56 -13.486 -3.409 -2.134 1.00 0.00 C ATOM 903 CG ASN A 56 -12.142 -2.733 -1.857 1.00 0.00 C ATOM 904 OD1 ASN A 56 -12.080 -1.535 -1.664 1.00 0.00 O ATOM 905 ND2 ASN A 56 -11.054 -3.455 -1.827 1.00 0.00 N ATOM 0 H ASN A 56 -14.687 -3.012 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.305 -4.383 -3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.246 -2.657 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.818 -3.956 -1.252 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.154 -3.013 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.105 -4.461 -1.989 1.00 0.00 H new ATOM 912 N LEU A 57 -15.049 -6.054 -2.962 1.00 0.00 N ATOM 913 CA LEU A 57 -15.525 -7.409 -2.565 1.00 0.00 C ATOM 914 C LEU A 57 -14.796 -8.464 -3.397 1.00 0.00 C ATOM 915 O LEU A 57 -14.183 -9.370 -2.869 1.00 0.00 O ATOM 916 CB LEU A 57 -17.031 -7.517 -2.808 1.00 0.00 C ATOM 917 CG LEU A 57 -17.495 -8.943 -2.506 1.00 0.00 C ATOM 918 CD1 LEU A 57 -17.816 -9.070 -1.017 1.00 0.00 C ATOM 919 CD2 LEU A 57 -18.750 -9.252 -3.325 1.00 0.00 C ATOM 0 H LEU A 57 -15.778 -5.409 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 57 -15.319 -7.571 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -17.564 -6.808 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.263 -7.259 -3.841 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.705 -9.646 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -18.147 -10.086 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.924 -8.847 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.607 -8.368 -0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -19.083 -10.268 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -19.539 -8.548 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -18.523 -9.160 -4.387 1.00 0.00 H new ATOM 931 N GLY A 58 -14.852 -8.351 -4.697 1.00 0.00 N ATOM 932 CA GLY A 58 -14.155 -9.346 -5.560 1.00 0.00 C ATOM 933 C GLY A 58 -12.644 -9.144 -5.444 1.00 0.00 C ATOM 934 O GLY A 58 -11.862 -9.945 -5.917 1.00 0.00 O ATOM 0 H GLY A 58 -15.349 -7.614 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.423 -10.358 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.471 -9.230 -6.597 1.00 0.00 H new ATOM 938 N ARG A 59 -12.228 -8.078 -4.815 1.00 0.00 N ATOM 939 CA ARG A 59 -10.769 -7.821 -4.664 1.00 0.00 C ATOM 940 C ARG A 59 -10.382 -7.939 -3.187 1.00 0.00 C ATOM 941 O ARG A 59 -9.260 -7.669 -2.806 1.00 0.00 O ATOM 942 CB ARG A 59 -10.446 -6.411 -5.164 1.00 0.00 C ATOM 943 CG ARG A 59 -9.002 -6.364 -5.669 1.00 0.00 C ATOM 944 CD ARG A 59 -8.832 -5.177 -6.619 1.00 0.00 C ATOM 945 NE ARG A 59 -8.081 -5.612 -7.840 1.00 0.00 N ATOM 946 CZ ARG A 59 -6.960 -6.281 -7.747 1.00 0.00 C ATOM 947 NH1 ARG A 59 -6.362 -6.424 -6.593 1.00 0.00 N ATOM 948 NH2 ARG A 59 -6.405 -6.761 -8.826 1.00 0.00 N ATOM 0 H ARG A 59 -12.837 -7.374 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.208 -8.551 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.131 -6.132 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -10.584 -5.688 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.314 -6.272 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.755 -7.293 -6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.808 -4.782 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.295 -4.371 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.451 -5.382 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.769 -6.012 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.489 -6.948 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.845 -6.614 -9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.531 -7.283 -8.761 1.00 0.00 H new ATOM 962 N ALA A 60 -11.303 -8.338 -2.351 1.00 0.00 N ATOM 963 CA ALA A 60 -10.989 -8.470 -0.901 1.00 0.00 C ATOM 964 C ALA A 60 -10.237 -9.779 -0.662 1.00 0.00 C ATOM 965 O ALA A 60 -9.577 -9.952 0.343 1.00 0.00 O ATOM 966 CB ALA A 60 -12.289 -8.472 -0.095 1.00 0.00 C ATOM 0 H ALA A 60 -12.260 -8.578 -2.611 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.369 -7.631 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -12.059 -8.569 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.825 -7.539 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.911 -9.310 -0.409 1.00 0.00 H new ATOM 972 N TRP A 61 -10.325 -10.703 -1.581 1.00 0.00 N ATOM 973 CA TRP A 61 -9.609 -11.996 -1.403 1.00 0.00 C ATOM 974 C TRP A 61 -8.207 -11.884 -2.004 1.00 0.00 C ATOM 975 O TRP A 61 -7.591 -12.868 -2.363 1.00 0.00 O ATOM 976 CB TRP A 61 -10.381 -13.114 -2.106 1.00 0.00 C ATOM 977 CG TRP A 61 -10.305 -14.358 -1.281 1.00 0.00 C ATOM 978 CD1 TRP A 61 -9.315 -14.648 -0.406 1.00 0.00 C ATOM 979 CD2 TRP A 61 -11.234 -15.480 -1.235 1.00 0.00 C ATOM 980 NE1 TRP A 61 -9.576 -15.876 0.174 1.00 0.00 N ATOM 981 CE2 TRP A 61 -10.747 -16.429 -0.305 1.00 0.00 C ATOM 982 CE3 TRP A 61 -12.439 -15.765 -1.904 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -11.431 -17.618 -0.047 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -13.129 -16.961 -1.646 1.00 0.00 C ATOM 985 CH2 TRP A 61 -12.625 -17.885 -0.719 1.00 0.00 C ATOM 0 H TRP A 61 -10.861 -10.617 -2.445 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.534 -12.227 -0.340 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -11.421 -12.820 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -9.963 -13.294 -3.096 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -8.460 -14.023 -0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -8.977 -16.319 0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -12.835 -15.060 -2.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.039 -18.327 0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -14.053 -17.170 -2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -13.160 -18.803 -0.525 1.00 0.00 H new ATOM 996 N ASP A 62 -7.698 -10.688 -2.109 1.00 0.00 N ATOM 997 CA ASP A 62 -6.335 -10.498 -2.678 1.00 0.00 C ATOM 998 C ASP A 62 -5.388 -10.049 -1.564 1.00 0.00 C ATOM 999 O ASP A 62 -4.539 -9.202 -1.758 1.00 0.00 O ATOM 1000 CB ASP A 62 -6.384 -9.427 -3.770 1.00 0.00 C ATOM 1001 CG ASP A 62 -6.706 -10.082 -5.114 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -7.405 -11.082 -5.111 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -6.248 -9.572 -6.124 1.00 0.00 O ATOM 0 H ASP A 62 -8.170 -9.830 -1.824 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.980 -11.435 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.140 -8.680 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.428 -8.907 -3.827 1.00 0.00 H new ATOM 1008 N VAL A 63 -5.534 -10.609 -0.393 1.00 0.00 N ATOM 1009 CA VAL A 63 -4.651 -10.215 0.741 1.00 0.00 C ATOM 1010 C VAL A 63 -3.430 -11.137 0.789 1.00 0.00 C ATOM 1011 O VAL A 63 -2.538 -10.958 1.593 1.00 0.00 O ATOM 1012 CB VAL A 63 -5.430 -10.335 2.053 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -4.795 -9.434 3.113 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -6.881 -9.906 1.824 1.00 0.00 C ATOM 0 H VAL A 63 -6.228 -11.323 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.320 -9.186 0.602 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.404 -11.370 2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.352 -9.522 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.761 -9.738 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.819 -8.399 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.437 -9.991 2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.905 -8.872 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.336 -10.549 1.071 1.00 0.00 H new ATOM 1024 N GLN A 64 -3.381 -12.125 -0.063 1.00 0.00 N ATOM 1025 CA GLN A 64 -2.213 -13.052 -0.056 1.00 0.00 C ATOM 1026 C GLN A 64 -0.918 -12.240 -0.084 1.00 0.00 C ATOM 1027 O GLN A 64 0.120 -12.692 0.358 1.00 0.00 O ATOM 1028 CB GLN A 64 -2.271 -13.958 -1.288 1.00 0.00 C ATOM 1029 CG GLN A 64 -3.248 -15.107 -1.031 1.00 0.00 C ATOM 1030 CD GLN A 64 -4.663 -14.546 -0.879 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -5.290 -14.691 0.257 1.00 0.00 O flip ATOM 1032 NE2 GLN A 64 -5.204 -13.970 -1.802 1.00 0.00 N flip ATOM 0 H GLN A 64 -4.096 -12.330 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.241 -13.663 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.588 -13.385 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.279 -14.352 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.214 -15.819 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.961 -15.649 -0.130 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.714 -13.857 -2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.148 -13.600 -1.689 1.00 0.00 H new ATOM 1041 N GLU A 65 -0.967 -11.043 -0.600 1.00 0.00 N ATOM 1042 CA GLU A 65 0.264 -10.207 -0.655 1.00 0.00 C ATOM 1043 C GLU A 65 0.699 -9.847 0.768 1.00 0.00 C ATOM 1044 O GLU A 65 1.862 -9.922 1.109 1.00 0.00 O ATOM 1045 CB GLU A 65 -0.023 -8.926 -1.441 1.00 0.00 C ATOM 1046 CG GLU A 65 -0.259 -9.271 -2.913 1.00 0.00 C ATOM 1047 CD GLU A 65 0.992 -9.937 -3.489 1.00 0.00 C ATOM 1048 OE1 GLU A 65 2.077 -9.442 -3.229 1.00 0.00 O ATOM 1049 OE2 GLU A 65 0.845 -10.930 -4.182 1.00 0.00 O ATOM 0 H GLU A 65 -1.805 -10.608 -0.985 1.00 0.00 H new ATOM 0 HA GLU A 65 1.060 -10.764 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.898 -8.423 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.815 -8.235 -1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.116 -9.938 -3.008 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.495 -8.368 -3.476 1.00 0.00 H new ATOM 1056 N MET A 66 -0.227 -9.458 1.600 1.00 0.00 N ATOM 1057 CA MET A 66 0.132 -9.095 3.001 1.00 0.00 C ATOM 1058 C MET A 66 0.784 -10.297 3.690 1.00 0.00 C ATOM 1059 O MET A 66 1.414 -10.167 4.721 1.00 0.00 O ATOM 1060 CB MET A 66 -1.135 -8.697 3.762 1.00 0.00 C ATOM 1061 CG MET A 66 -1.122 -7.191 4.030 1.00 0.00 C ATOM 1062 SD MET A 66 -2.589 -6.735 4.988 1.00 0.00 S ATOM 1063 CE MET A 66 -1.947 -7.191 6.617 1.00 0.00 C ATOM 0 H MET A 66 -1.217 -9.376 1.371 1.00 0.00 H new ATOM 0 HA MET A 66 0.831 -8.259 2.993 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.018 -8.966 3.183 1.00 0.00 H new ATOM 0 HB3 MET A 66 -1.193 -9.243 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 66 -0.219 -6.916 4.575 1.00 0.00 H new ATOM 0 HG3 MET A 66 -1.105 -6.643 3.088 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.475 -6.628 7.387 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.096 -8.258 6.781 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.882 -6.962 6.666 1.00 0.00 H new ATOM 1073 N LEU A 67 0.636 -11.467 3.130 1.00 0.00 N ATOM 1074 CA LEU A 67 1.244 -12.677 3.753 1.00 0.00 C ATOM 1075 C LEU A 67 2.743 -12.720 3.442 1.00 0.00 C ATOM 1076 O LEU A 67 3.568 -12.855 4.324 1.00 0.00 O ATOM 1077 CB LEU A 67 0.569 -13.930 3.186 1.00 0.00 C ATOM 1078 CG LEU A 67 1.388 -15.168 3.553 1.00 0.00 C ATOM 1079 CD1 LEU A 67 1.689 -15.154 5.052 1.00 0.00 C ATOM 1080 CD2 LEU A 67 0.591 -16.426 3.203 1.00 0.00 C ATOM 0 H LEU A 67 0.120 -11.637 2.267 1.00 0.00 H new ATOM 0 HA LEU A 67 1.102 -12.640 4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.442 -14.021 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.481 -13.849 2.103 1.00 0.00 H new ATOM 0 HG LEU A 67 2.325 -15.164 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.273 -16.036 5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.256 -14.257 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.753 -15.159 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.173 -17.310 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.345 -16.431 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.377 -16.435 2.134 1.00 0.00 H new ATOM 1092 N VAL A 68 3.100 -12.611 2.192 1.00 0.00 N ATOM 1093 CA VAL A 68 4.543 -12.653 1.820 1.00 0.00 C ATOM 1094 C VAL A 68 5.259 -11.419 2.378 1.00 0.00 C ATOM 1095 O VAL A 68 6.240 -11.526 3.086 1.00 0.00 O ATOM 1096 CB VAL A 68 4.673 -12.673 0.296 1.00 0.00 C ATOM 1097 CG1 VAL A 68 6.010 -13.302 -0.097 1.00 0.00 C ATOM 1098 CG2 VAL A 68 3.531 -13.499 -0.302 1.00 0.00 C ATOM 0 H VAL A 68 2.454 -12.495 1.411 1.00 0.00 H new ATOM 0 HA VAL A 68 4.998 -13.551 2.239 1.00 0.00 H new ATOM 0 HB VAL A 68 4.626 -11.652 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.101 -13.315 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.826 -12.718 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.058 -14.322 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.623 -13.514 -1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.580 -14.519 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.576 -13.053 -0.025 1.00 0.00 H new ATOM 1108 N ASP A 69 4.780 -10.248 2.059 1.00 0.00 N ATOM 1109 CA ASP A 69 5.434 -9.005 2.563 1.00 0.00 C ATOM 1110 C ASP A 69 4.668 -8.489 3.785 1.00 0.00 C ATOM 1111 O ASP A 69 3.794 -7.661 3.670 1.00 0.00 O ATOM 1112 CB ASP A 69 5.424 -7.930 1.466 1.00 0.00 C ATOM 1113 CG ASP A 69 5.146 -8.563 0.097 1.00 0.00 C ATOM 1114 OD1 ASP A 69 5.625 -9.660 -0.136 1.00 0.00 O ATOM 1115 OD2 ASP A 69 4.458 -7.938 -0.693 1.00 0.00 O ATOM 0 H ASP A 69 3.962 -10.097 1.469 1.00 0.00 H new ATOM 0 HA ASP A 69 6.464 -9.227 2.840 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.663 -7.182 1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.383 -7.413 1.446 1.00 0.00 H new ATOM 1120 N VAL A 70 4.976 -8.992 4.951 1.00 0.00 N ATOM 1121 CA VAL A 70 4.256 -8.542 6.187 1.00 0.00 C ATOM 1122 C VAL A 70 5.094 -7.569 7.036 1.00 0.00 C ATOM 1123 O VAL A 70 6.261 -7.789 7.238 1.00 0.00 O ATOM 1124 CB VAL A 70 3.998 -9.754 7.060 1.00 0.00 C ATOM 1125 CG1 VAL A 70 5.343 -10.431 7.333 1.00 0.00 C ATOM 1126 CG2 VAL A 70 3.385 -9.286 8.382 1.00 0.00 C ATOM 0 H VAL A 70 5.697 -9.697 5.105 1.00 0.00 H new ATOM 0 HA VAL A 70 3.343 -8.042 5.863 1.00 0.00 H new ATOM 0 HB VAL A 70 3.317 -10.450 6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.188 -11.309 7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.795 -10.735 6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.005 -9.732 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.194 -10.149 9.020 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.076 -8.609 8.884 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.447 -8.766 8.185 1.00 0.00 H new ATOM 1136 N ILE A 71 4.457 -6.567 7.615 1.00 0.00 N ATOM 1137 CA ILE A 71 5.145 -5.610 8.563 1.00 0.00 C ATOM 1138 C ILE A 71 4.123 -4.547 9.019 1.00 0.00 C ATOM 1139 O ILE A 71 3.517 -4.674 10.064 1.00 0.00 O ATOM 1140 CB ILE A 71 6.364 -4.886 7.943 1.00 0.00 C ATOM 1141 CG1 ILE A 71 7.615 -5.775 7.914 1.00 0.00 C ATOM 1142 CG2 ILE A 71 6.712 -3.669 8.802 1.00 0.00 C ATOM 1143 CD1 ILE A 71 7.696 -6.617 9.193 1.00 0.00 C ATOM 0 H ILE A 71 3.468 -6.367 7.468 1.00 0.00 H new ATOM 0 HA ILE A 71 5.519 -6.206 9.395 1.00 0.00 H new ATOM 0 HB ILE A 71 6.089 -4.614 6.924 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.586 -6.428 7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.508 -5.156 7.820 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.570 -3.153 8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.860 -2.990 8.834 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.954 -3.995 9.813 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.588 -7.243 9.160 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.747 -5.958 10.060 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.811 -7.249 9.269 1.00 0.00 H new ATOM 1155 N THR A 72 3.946 -3.487 8.259 1.00 0.00 N ATOM 1156 CA THR A 72 2.985 -2.417 8.683 1.00 0.00 C ATOM 1157 C THR A 72 2.068 -1.992 7.530 1.00 0.00 C ATOM 1158 O THR A 72 2.198 -2.442 6.409 1.00 0.00 O ATOM 1159 CB THR A 72 3.772 -1.195 9.174 1.00 0.00 C ATOM 1160 OG1 THR A 72 4.920 -1.627 9.890 1.00 0.00 O ATOM 1161 CG2 THR A 72 2.891 -0.348 10.093 1.00 0.00 C ATOM 0 H THR A 72 4.421 -3.319 7.372 1.00 0.00 H new ATOM 0 HA THR A 72 2.363 -2.820 9.483 1.00 0.00 H new ATOM 0 HB THR A 72 4.079 -0.597 8.316 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.424 -0.846 10.202 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.454 0.519 10.439 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.010 -0.013 9.545 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.580 -0.945 10.950 1.00 0.00 H new ATOM 1169 N ILE A 73 1.139 -1.112 7.817 1.00 0.00 N ATOM 1170 CA ILE A 73 0.194 -0.616 6.773 1.00 0.00 C ATOM 1171 C ILE A 73 -0.422 0.702 7.265 1.00 0.00 C ATOM 1172 O ILE A 73 -0.366 1.020 8.437 1.00 0.00 O ATOM 1173 CB ILE A 73 -0.922 -1.643 6.529 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -0.467 -3.033 6.987 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -1.251 -1.688 5.035 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -1.669 -3.978 7.020 1.00 0.00 C ATOM 0 H ILE A 73 0.995 -0.712 8.744 1.00 0.00 H new ATOM 0 HA ILE A 73 0.732 -0.461 5.838 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.806 -1.350 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.294 -3.420 6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.012 -2.971 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.043 -2.416 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.583 -0.703 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.361 -1.977 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.346 -4.967 7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.415 -3.593 7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.104 -4.049 6.023 1.00 0.00 H new ATOM 1188 N GLY A 74 -0.996 1.479 6.385 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.598 2.777 6.811 1.00 0.00 C ATOM 1190 C GLY A 74 -2.207 3.481 5.595 1.00 0.00 C ATOM 1191 O GLY A 74 -2.185 4.691 5.486 1.00 0.00 O ATOM 0 H GLY A 74 -1.074 1.271 5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.365 2.604 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.838 3.410 7.268 1.00 0.00 H new ATOM 1195 N GLY A 75 -2.750 2.726 4.682 1.00 0.00 N ATOM 1196 CA GLY A 75 -3.369 3.328 3.467 1.00 0.00 C ATOM 1197 C GLY A 75 -4.284 2.293 2.811 1.00 0.00 C ATOM 1198 O GLY A 75 -3.885 1.576 1.915 1.00 0.00 O ATOM 0 H GLY A 75 -2.792 1.708 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.938 4.218 3.736 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.595 3.644 2.767 1.00 0.00 H new ATOM 1202 N ASN A 76 -5.506 2.201 3.258 1.00 0.00 N ATOM 1203 CA ASN A 76 -6.444 1.203 2.671 1.00 0.00 C ATOM 1204 C ASN A 76 -7.754 1.895 2.285 1.00 0.00 C ATOM 1205 O ASN A 76 -7.752 2.959 1.697 1.00 0.00 O ATOM 1206 CB ASN A 76 -6.713 0.108 3.705 1.00 0.00 C ATOM 1207 CG ASN A 76 -5.386 -0.478 4.189 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -4.458 -0.629 3.419 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -5.255 -0.816 5.442 1.00 0.00 N ATOM 0 H ASN A 76 -5.896 2.775 4.006 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.005 0.759 1.778 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.270 0.518 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -7.330 -0.676 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.374 -1.207 5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.034 -0.689 6.088 1.00 0.00 H new ATOM 1216 N VAL A 77 -8.871 1.302 2.600 1.00 0.00 N ATOM 1217 CA VAL A 77 -10.172 1.930 2.239 1.00 0.00 C ATOM 1218 C VAL A 77 -10.965 2.238 3.507 1.00 0.00 C ATOM 1219 O VAL A 77 -11.181 1.384 4.344 1.00 0.00 O ATOM 1220 CB VAL A 77 -10.976 0.971 1.357 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -11.148 -0.365 2.081 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -12.355 1.570 1.072 1.00 0.00 C ATOM 0 H VAL A 77 -8.940 0.411 3.091 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.985 2.856 1.695 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.445 0.814 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.720 -1.048 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.168 -0.796 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.678 -0.204 3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.926 0.886 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.884 1.728 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.238 2.524 0.557 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.391 3.462 3.656 1.00 0.00 N ATOM 1233 CA ASP A 78 -12.160 3.842 4.872 1.00 0.00 C ATOM 1234 C ASP A 78 -13.641 4.014 4.521 1.00 0.00 C ATOM 1235 O ASP A 78 -13.989 4.424 3.432 1.00 0.00 O ATOM 1236 CB ASP A 78 -11.618 5.164 5.425 1.00 0.00 C ATOM 1237 CG ASP A 78 -10.156 5.349 5.007 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -9.931 5.839 3.912 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -9.288 4.998 5.789 1.00 0.00 O ATOM 0 H ASP A 78 -11.239 4.216 2.986 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.055 3.056 5.620 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.218 5.995 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.697 5.172 6.512 1.00 0.00 H new ATOM 1244 N GLU A 79 -14.515 3.714 5.445 1.00 0.00 N ATOM 1245 CA GLU A 79 -15.972 3.871 5.176 1.00 0.00 C ATOM 1246 C GLU A 79 -16.473 5.138 5.874 1.00 0.00 C ATOM 1247 O GLU A 79 -16.168 5.383 7.025 1.00 0.00 O ATOM 1248 CB GLU A 79 -16.728 2.656 5.718 1.00 0.00 C ATOM 1249 CG GLU A 79 -16.240 2.340 7.134 1.00 0.00 C ATOM 1250 CD GLU A 79 -15.387 1.071 7.107 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -14.259 1.149 6.649 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -15.876 0.043 7.546 1.00 0.00 O ATOM 0 H GLU A 79 -14.281 3.367 6.375 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.142 3.949 4.102 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -17.799 2.856 5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.570 1.796 5.067 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.657 3.175 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -17.091 2.205 7.802 1.00 0.00 H new ATOM 1259 N ASP A 80 -17.230 5.951 5.189 1.00 0.00 N ATOM 1260 CA ASP A 80 -17.734 7.204 5.821 1.00 0.00 C ATOM 1261 C ASP A 80 -19.226 7.067 6.146 1.00 0.00 C ATOM 1262 O ASP A 80 -19.598 6.578 7.194 1.00 0.00 O ATOM 1263 CB ASP A 80 -17.523 8.375 4.859 1.00 0.00 C ATOM 1264 CG ASP A 80 -16.140 8.984 5.093 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -15.686 8.959 6.225 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -15.558 9.468 4.136 1.00 0.00 O ATOM 0 H ASP A 80 -17.521 5.803 4.223 1.00 0.00 H new ATOM 0 HA ASP A 80 -17.187 7.385 6.746 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -17.612 8.033 3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.295 9.129 5.012 1.00 0.00 H new ATOM 1271 N ASP A 81 -20.083 7.505 5.263 1.00 0.00 N ATOM 1272 CA ASP A 81 -21.547 7.409 5.532 1.00 0.00 C ATOM 1273 C ASP A 81 -22.158 6.285 4.693 1.00 0.00 C ATOM 1274 O ASP A 81 -22.458 5.218 5.191 1.00 0.00 O ATOM 1275 CB ASP A 81 -22.217 8.735 5.166 1.00 0.00 C ATOM 1276 CG ASP A 81 -23.737 8.562 5.175 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -24.260 8.142 6.195 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -24.353 8.852 4.163 1.00 0.00 O ATOM 0 H ASP A 81 -19.833 7.925 4.368 1.00 0.00 H new ATOM 0 HA ASP A 81 -21.705 7.195 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -21.925 9.509 5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -21.884 9.063 4.181 1.00 0.00 H new ATOM 1283 N ASP A 82 -22.342 6.514 3.422 1.00 0.00 N ATOM 1284 CA ASP A 82 -22.932 5.459 2.551 1.00 0.00 C ATOM 1285 C ASP A 82 -21.949 5.143 1.429 1.00 0.00 C ATOM 1286 O ASP A 82 -21.871 4.030 0.947 1.00 0.00 O ATOM 1287 CB ASP A 82 -24.245 5.965 1.953 1.00 0.00 C ATOM 1288 CG ASP A 82 -25.383 5.728 2.947 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -25.239 6.131 4.089 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -26.379 5.145 2.549 1.00 0.00 O ATOM 0 H ASP A 82 -22.109 7.387 2.949 1.00 0.00 H new ATOM 0 HA ASP A 82 -23.128 4.561 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -24.166 7.027 1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -24.453 5.449 1.016 1.00 0.00 H new ATOM 1295 N ARG A 83 -21.194 6.119 1.016 1.00 0.00 N ATOM 1296 CA ARG A 83 -20.206 5.894 -0.067 1.00 0.00 C ATOM 1297 C ARG A 83 -18.953 5.252 0.529 1.00 0.00 C ATOM 1298 O ARG A 83 -18.932 4.872 1.683 1.00 0.00 O ATOM 1299 CB ARG A 83 -19.848 7.240 -0.695 1.00 0.00 C ATOM 1300 CG ARG A 83 -20.559 7.384 -2.042 1.00 0.00 C ATOM 1301 CD ARG A 83 -22.051 7.617 -1.803 1.00 0.00 C ATOM 1302 NE ARG A 83 -22.849 6.694 -2.670 1.00 0.00 N ATOM 1303 CZ ARG A 83 -22.606 6.588 -3.951 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -21.791 7.418 -4.547 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -23.229 5.680 -4.652 1.00 0.00 N ATOM 0 H ARG A 83 -21.220 7.069 1.386 1.00 0.00 H new ATOM 0 HA ARG A 83 -20.623 5.235 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -20.140 8.052 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.769 7.313 -0.832 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -20.134 8.216 -2.603 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -20.411 6.486 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -22.292 7.446 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -22.308 8.653 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 83 -23.596 6.137 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -21.336 8.158 -4.013 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -21.609 7.325 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -23.900 5.059 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -23.044 5.592 -5.651 1.00 0.00 H new ATOM 1319 N PHE A 84 -17.907 5.128 -0.240 1.00 0.00 N ATOM 1320 CA PHE A 84 -16.665 4.510 0.300 1.00 0.00 C ATOM 1321 C PHE A 84 -15.461 5.350 -0.119 1.00 0.00 C ATOM 1322 O PHE A 84 -15.519 6.103 -1.070 1.00 0.00 O ATOM 1323 CB PHE A 84 -16.517 3.091 -0.255 1.00 0.00 C ATOM 1324 CG PHE A 84 -16.322 2.118 0.884 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -15.117 2.106 1.596 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -17.347 1.232 1.231 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -14.937 1.208 2.654 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -17.168 0.333 2.289 1.00 0.00 C ATOM 1329 CZ PHE A 84 -15.963 0.321 3.001 1.00 0.00 C ATOM 0 H PHE A 84 -17.859 5.426 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 84 -16.720 4.468 1.388 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -17.403 2.820 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.668 3.043 -0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.325 2.790 1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -18.277 1.241 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -14.007 1.199 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -17.960 -0.351 2.556 1.00 0.00 H new ATOM 0 HZ PHE A 84 -15.825 -0.372 3.818 1.00 0.00 H new ATOM 1339 N VAL A 85 -14.368 5.226 0.579 1.00 0.00 N ATOM 1340 CA VAL A 85 -13.161 6.013 0.212 1.00 0.00 C ATOM 1341 C VAL A 85 -11.911 5.170 0.456 1.00 0.00 C ATOM 1342 O VAL A 85 -11.964 4.121 1.063 1.00 0.00 O ATOM 1343 CB VAL A 85 -13.088 7.289 1.063 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -12.476 6.975 2.434 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -12.210 8.317 0.347 1.00 0.00 C ATOM 0 H VAL A 85 -14.259 4.614 1.387 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.220 6.287 -0.841 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.094 7.684 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.429 7.887 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.093 6.238 2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.470 6.577 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.153 9.226 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.209 7.909 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.642 8.549 -0.626 1.00 0.00 H new ATOM 1355 N LEU A 86 -10.790 5.632 -0.008 1.00 0.00 N ATOM 1356 CA LEU A 86 -9.534 4.898 0.190 1.00 0.00 C ATOM 1357 C LEU A 86 -8.401 5.737 -0.399 1.00 0.00 C ATOM 1358 O LEU A 86 -8.576 6.900 -0.717 1.00 0.00 O ATOM 1359 CB LEU A 86 -9.617 3.562 -0.528 1.00 0.00 C ATOM 1360 CG LEU A 86 -10.029 3.788 -1.972 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -8.806 3.621 -2.871 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -11.088 2.764 -2.372 1.00 0.00 C ATOM 0 H LEU A 86 -10.698 6.506 -0.526 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.354 4.717 1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.653 3.055 -0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.338 2.914 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.438 4.792 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.094 3.782 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.045 4.348 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.406 2.614 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.381 2.930 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.680 1.759 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.960 2.872 -1.727 1.00 0.00 H new ATOM 1374 N GLU A 87 -7.244 5.170 -0.556 1.00 0.00 N ATOM 1375 CA GLU A 87 -6.120 5.959 -1.130 1.00 0.00 C ATOM 1376 C GLU A 87 -5.619 5.321 -2.416 1.00 0.00 C ATOM 1377 O GLU A 87 -6.034 4.249 -2.807 1.00 0.00 O ATOM 1378 CB GLU A 87 -4.969 6.046 -0.142 1.00 0.00 C ATOM 1379 CG GLU A 87 -4.198 7.340 -0.395 1.00 0.00 C ATOM 1380 CD GLU A 87 -4.217 8.204 0.867 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -5.208 8.156 1.578 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -3.243 8.899 1.101 1.00 0.00 O ATOM 0 H GLU A 87 -7.025 4.203 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.493 6.961 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.347 6.026 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.309 5.186 -0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.170 7.113 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.644 7.884 -1.227 1.00 0.00 H new ATOM 1389 N TRP A 88 -4.734 5.992 -3.083 1.00 0.00 N ATOM 1390 CA TRP A 88 -4.210 5.452 -4.362 1.00 0.00 C ATOM 1391 C TRP A 88 -3.314 4.242 -4.082 1.00 0.00 C ATOM 1392 O TRP A 88 -2.407 4.304 -3.276 1.00 0.00 O ATOM 1393 CB TRP A 88 -3.411 6.530 -5.091 1.00 0.00 C ATOM 1394 CG TRP A 88 -3.552 6.347 -6.572 1.00 0.00 C ATOM 1395 CD1 TRP A 88 -4.297 5.388 -7.178 1.00 0.00 C ATOM 1396 CD2 TRP A 88 -2.947 7.129 -7.643 1.00 0.00 C ATOM 1397 NE1 TRP A 88 -4.183 5.534 -8.549 1.00 0.00 N ATOM 1398 CE2 TRP A 88 -3.362 6.592 -8.884 1.00 0.00 C ATOM 1399 CE3 TRP A 88 -2.085 8.241 -7.657 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 -2.939 7.139 -10.097 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 -1.657 8.794 -8.876 1.00 0.00 C ATOM 1402 CH2 TRP A 88 -2.083 8.243 -10.093 1.00 0.00 C ATOM 0 H TRP A 88 -4.349 6.893 -2.799 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.046 5.142 -4.990 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.767 7.519 -4.801 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -2.360 6.473 -4.806 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.883 4.634 -6.673 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -4.649 4.933 -9.229 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.750 8.672 -6.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.271 6.712 -11.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.996 9.648 -8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.750 8.672 -11.027 1.00 0.00 H new ATOM 1413 N LYS A 89 -3.559 3.142 -4.740 1.00 0.00 N ATOM 1414 CA LYS A 89 -2.721 1.932 -4.506 1.00 0.00 C ATOM 1415 C LYS A 89 -1.804 1.700 -5.709 1.00 0.00 C ATOM 1416 O LYS A 89 -2.055 2.183 -6.796 1.00 0.00 O ATOM 1417 CB LYS A 89 -3.626 0.714 -4.315 1.00 0.00 C ATOM 1418 CG LYS A 89 -3.773 0.415 -2.822 1.00 0.00 C ATOM 1419 CD LYS A 89 -5.144 -0.210 -2.559 1.00 0.00 C ATOM 1420 CE LYS A 89 -5.333 -0.414 -1.056 1.00 0.00 C ATOM 1421 NZ LYS A 89 -4.243 -1.283 -0.531 1.00 0.00 N ATOM 0 H LYS A 89 -4.303 3.029 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.115 2.081 -3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.605 0.902 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.205 -0.149 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.984 -0.263 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -3.663 1.333 -2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.930 0.435 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -5.226 -1.164 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.324 0.548 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.303 -0.871 -0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.522 -1.670 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -4.071 -2.064 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.374 -0.722 -0.423 1.00 0.00 H new ATOM 1435 N ASN A 90 -0.742 0.963 -5.524 1.00 0.00 N ATOM 1436 CA ASN A 90 0.191 0.700 -6.656 1.00 0.00 C ATOM 1437 C ASN A 90 -0.381 -0.412 -7.538 1.00 0.00 C ATOM 1438 O ASN A 90 0.208 -0.683 -8.572 1.00 0.00 O ATOM 1439 CB ASN A 90 1.552 0.266 -6.107 1.00 0.00 C ATOM 1440 CG ASN A 90 2.518 0.024 -7.269 1.00 0.00 C ATOM 1441 OD1 ASN A 90 3.077 0.955 -7.812 1.00 0.00 O ATOM 1442 ND2 ASN A 90 2.739 -1.196 -7.675 1.00 0.00 N ATOM 1443 OXT ASN A 90 -1.398 -0.974 -7.165 1.00 0.00 O ATOM 0 H ASN A 90 -0.481 0.532 -4.637 1.00 0.00 H new ATOM 0 HA ASN A 90 0.311 1.608 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.950 1.034 -5.443 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.444 -0.643 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.381 -1.368 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.269 -1.978 -7.219 1.00 0.00 H new TER 1450 ASN A 90