USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 562 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 5 GLN : amide:sc= -4.49! K(o=-4.5!,f=-1.5) USER MOD Set 1.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -108:sc= -1.76 (180deg=-4.24!) USER MOD Single : A 1 MET N :NH3+ -119:sc= -0.0633 (180deg=-0.456) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0446 USER MOD Single : A 12 SER OG : rot -24:sc= 0.352 USER MOD Single : A 26 ASN : amide:sc= -0.0687 K(o=-0.069,f=-1.9!) USER MOD Single : A 29 HIS : no HD1:sc= -5.15! C(o=-5.2!,f=-4.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.99! K(o=-3!,f=-0.13) USER MOD Single : A 38 GLN : amide:sc= -6.23! K(o=-6.2!,f=-2.5) USER MOD Single : A 50 GLN : amide:sc= -3.6 K(o=-3.6,f=-0.28) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.56 K(o=-0.56,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.893 6.764 -2.094 1.00 0.00 N ATOM 2 CA MET A 1 15.416 7.422 -3.310 1.00 0.00 C ATOM 3 C MET A 1 13.900 7.264 -3.401 1.00 0.00 C ATOM 4 O MET A 1 13.212 7.329 -2.381 1.00 0.00 O ATOM 5 CB MET A 1 16.095 6.857 -4.569 1.00 0.00 C ATOM 6 CG MET A 1 17.607 7.049 -4.625 1.00 0.00 C ATOM 7 SD MET A 1 18.115 8.775 -4.809 1.00 0.00 S ATOM 8 CE MET A 1 18.003 9.372 -3.123 1.00 0.00 C ATOM 0 H1 MET A 1 16.349 7.465 -1.476 1.00 0.00 H new ATOM 0 H2 MET A 1 15.089 6.333 -1.594 1.00 0.00 H new ATOM 0 H3 MET A 1 16.580 6.025 -2.346 1.00 0.00 H new ATOM 0 HA MET A 1 15.675 8.479 -3.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.876 5.791 -4.635 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.651 7.328 -5.446 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.050 6.644 -3.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.007 6.471 -5.458 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.145 10.038 -3.029 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.882 8.527 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.913 9.915 -2.868 1.00 0.00 H new ATOM 18 N SER A 2 13.381 7.028 -4.596 1.00 0.00 N ATOM 19 CA SER A 2 11.946 6.850 -4.780 1.00 0.00 C ATOM 20 C SER A 2 11.516 5.419 -4.429 1.00 0.00 C ATOM 21 O SER A 2 10.579 4.868 -5.009 1.00 0.00 O ATOM 22 CB SER A 2 11.564 7.206 -6.218 1.00 0.00 C ATOM 23 OG SER A 2 12.560 6.772 -7.132 1.00 0.00 O ATOM 0 H SER A 2 13.930 6.955 -5.453 1.00 0.00 H new ATOM 0 HA SER A 2 11.419 7.520 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.609 6.744 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.430 8.284 -6.306 1.00 0.00 H new ATOM 0 HG SER A 2 12.292 7.009 -8.044 1.00 0.00 H new ATOM 29 N ALA A 3 12.204 4.838 -3.452 1.00 0.00 N ATOM 30 CA ALA A 3 11.935 3.489 -2.993 1.00 0.00 C ATOM 31 C ALA A 3 11.995 3.441 -1.475 1.00 0.00 C ATOM 32 O ALA A 3 13.022 3.117 -0.886 1.00 0.00 O ATOM 33 CB ALA A 3 12.920 2.519 -3.590 1.00 0.00 C ATOM 0 H ALA A 3 12.968 5.297 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 3 10.936 3.200 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.701 1.513 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.842 2.544 -4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.931 2.798 -3.292 1.00 0.00 H new ATOM 39 N VAL A 4 10.889 3.783 -0.849 1.00 0.00 N ATOM 40 CA VAL A 4 10.836 3.928 0.586 1.00 0.00 C ATOM 41 C VAL A 4 9.845 2.953 1.201 1.00 0.00 C ATOM 42 O VAL A 4 8.636 3.049 0.989 1.00 0.00 O ATOM 43 CB VAL A 4 10.473 5.371 0.968 1.00 0.00 C ATOM 44 CG1 VAL A 4 11.726 6.152 1.322 1.00 0.00 C ATOM 45 CG2 VAL A 4 9.744 6.050 -0.177 1.00 0.00 C ATOM 0 H VAL A 4 10.004 3.968 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 4 11.825 3.699 0.982 1.00 0.00 H new ATOM 0 HB VAL A 4 9.816 5.346 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.455 7.173 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.226 5.675 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.398 6.169 0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.493 7.072 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.385 6.066 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.830 5.501 -0.403 1.00 0.00 H new ATOM 55 N GLN A 5 10.389 1.996 1.933 1.00 0.00 N ATOM 56 CA GLN A 5 9.608 0.972 2.600 1.00 0.00 C ATOM 57 C GLN A 5 8.623 1.604 3.579 1.00 0.00 C ATOM 58 O GLN A 5 9.027 2.182 4.588 1.00 0.00 O ATOM 59 CB GLN A 5 10.567 0.040 3.355 1.00 0.00 C ATOM 60 CG GLN A 5 10.077 -1.389 3.536 1.00 0.00 C ATOM 61 CD GLN A 5 8.788 -1.496 4.320 1.00 0.00 C ATOM 62 OE1 GLN A 5 8.790 -1.562 5.545 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.679 -1.539 3.612 1.00 0.00 N ATOM 0 H GLN A 5 11.394 1.908 2.082 1.00 0.00 H new ATOM 0 HA GLN A 5 9.040 0.408 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.518 0.016 2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.763 0.467 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.933 -1.841 2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.849 -1.967 4.043 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.721 -1.481 2.595 1.00 0.00 H new ATOM 0 HE22 GLN A 5 6.778 -1.630 4.081 1.00 0.00 H new ATOM 72 N VAL A 6 7.341 1.519 3.271 1.00 0.00 N ATOM 73 CA VAL A 6 6.324 1.926 4.223 1.00 0.00 C ATOM 74 C VAL A 6 5.141 0.995 4.172 1.00 0.00 C ATOM 75 O VAL A 6 4.413 0.841 5.146 1.00 0.00 O ATOM 76 CB VAL A 6 5.837 3.379 4.007 1.00 0.00 C ATOM 77 CG1 VAL A 6 4.837 3.467 2.864 1.00 0.00 C ATOM 78 CG2 VAL A 6 5.229 3.924 5.292 1.00 0.00 C ATOM 0 H VAL A 6 6.983 1.176 2.380 1.00 0.00 H new ATOM 0 HA VAL A 6 6.796 1.878 5.204 1.00 0.00 H new ATOM 0 HB VAL A 6 6.700 3.987 3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.516 4.501 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.306 3.120 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.972 2.843 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.890 4.947 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.382 3.303 5.586 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.979 3.912 6.083 1.00 0.00 H new ATOM 88 N LEU A 7 4.981 0.324 3.061 1.00 0.00 N ATOM 89 CA LEU A 7 3.811 -0.466 2.849 1.00 0.00 C ATOM 90 C LEU A 7 4.252 -1.903 2.768 1.00 0.00 C ATOM 91 O LEU A 7 5.395 -2.163 2.450 1.00 0.00 O ATOM 92 CB LEU A 7 3.129 0.005 1.558 1.00 0.00 C ATOM 93 CG LEU A 7 1.600 -0.142 1.532 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.004 0.469 0.283 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.166 -1.587 1.631 1.00 0.00 C ATOM 0 H LEU A 7 5.651 0.313 2.292 1.00 0.00 H new ATOM 0 HA LEU A 7 3.088 -0.364 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.380 1.053 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.546 -0.555 0.721 1.00 0.00 H new ATOM 0 HG LEU A 7 1.230 0.394 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.079 0.346 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.248 1.531 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.413 -0.029 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.078 -1.642 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.575 -2.148 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.532 -2.014 2.565 1.00 0.00 H new ATOM 107 N LYS A 8 3.410 -2.826 3.153 1.00 0.00 N ATOM 108 CA LYS A 8 3.703 -4.210 2.938 1.00 0.00 C ATOM 109 C LYS A 8 2.430 -4.986 2.746 1.00 0.00 C ATOM 110 O LYS A 8 1.377 -4.626 3.269 1.00 0.00 O ATOM 111 CB LYS A 8 4.535 -4.790 4.082 1.00 0.00 C ATOM 112 CG LYS A 8 3.962 -4.588 5.469 1.00 0.00 C ATOM 113 CD LYS A 8 4.932 -3.812 6.352 1.00 0.00 C ATOM 114 CE LYS A 8 4.939 -2.327 6.031 1.00 0.00 C ATOM 115 NZ LYS A 8 5.522 -1.528 7.138 1.00 0.00 N ATOM 0 H LYS A 8 2.520 -2.641 3.615 1.00 0.00 H new ATOM 0 HA LYS A 8 4.301 -4.294 2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.661 -5.859 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.529 -4.343 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.016 -4.050 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.747 -5.556 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.661 -3.954 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.937 -4.214 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.510 -2.155 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.920 -1.992 5.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.510 -0.520 6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.963 -1.673 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.503 -1.831 7.305 1.00 0.00 H new ATOM 129 N PHE A 9 2.543 -6.035 1.969 1.00 0.00 N ATOM 130 CA PHE A 9 1.445 -6.947 1.742 1.00 0.00 C ATOM 131 C PHE A 9 1.847 -8.291 2.300 1.00 0.00 C ATOM 132 O PHE A 9 2.457 -9.103 1.609 1.00 0.00 O ATOM 133 CB PHE A 9 1.073 -7.054 0.249 1.00 0.00 C ATOM 134 CG PHE A 9 2.027 -6.364 -0.668 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.337 -6.743 -0.679 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.612 -5.355 -1.519 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.245 -6.140 -1.508 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.514 -4.740 -2.361 1.00 0.00 C ATOM 139 CZ PHE A 9 3.835 -5.135 -2.355 1.00 0.00 C ATOM 0 H PHE A 9 3.400 -6.282 1.474 1.00 0.00 H new ATOM 0 HA PHE A 9 0.553 -6.573 2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.019 -8.107 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.078 -6.635 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.665 -7.534 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.577 -5.048 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.279 -6.452 -1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.187 -3.952 -3.023 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.546 -4.657 -3.013 1.00 0.00 H new ATOM 149 N PRO A 10 1.573 -8.474 3.601 1.00 0.00 N ATOM 150 CA PRO A 10 1.835 -9.686 4.365 1.00 0.00 C ATOM 151 C PRO A 10 1.879 -10.962 3.532 1.00 0.00 C ATOM 152 O PRO A 10 0.850 -11.598 3.322 1.00 0.00 O ATOM 153 CB PRO A 10 0.601 -9.715 5.251 1.00 0.00 C ATOM 154 CG PRO A 10 0.234 -8.280 5.491 1.00 0.00 C ATOM 155 CD PRO A 10 0.963 -7.461 4.467 1.00 0.00 C ATOM 0 HA PRO A 10 2.807 -9.662 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.215 -10.251 4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.806 -10.228 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -0.843 -8.138 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.514 -7.974 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.285 -6.813 3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.714 -6.818 4.926 1.00 0.00 H new ATOM 163 N LEU A 11 3.086 -11.384 3.152 1.00 0.00 N ATOM 164 CA LEU A 11 3.257 -12.526 2.252 1.00 0.00 C ATOM 165 C LEU A 11 2.884 -13.819 2.952 1.00 0.00 C ATOM 166 O LEU A 11 2.788 -14.886 2.345 1.00 0.00 O ATOM 167 CB LEU A 11 4.700 -12.581 1.726 1.00 0.00 C ATOM 168 CG LEU A 11 5.830 -12.526 2.763 1.00 0.00 C ATOM 169 CD1 LEU A 11 5.858 -13.784 3.581 1.00 0.00 C ATOM 170 CD2 LEU A 11 7.164 -12.344 2.079 1.00 0.00 C ATOM 0 H LEU A 11 3.960 -10.952 3.453 1.00 0.00 H new ATOM 0 HA LEU A 11 2.588 -12.401 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.815 -13.500 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.838 -11.752 1.032 1.00 0.00 H new ATOM 0 HG LEU A 11 5.643 -11.677 3.421 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.666 -13.726 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.907 -13.901 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.021 -14.640 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.955 -12.307 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.343 -13.180 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.158 -11.413 1.511 1.00 0.00 H new ATOM 182 N SER A 12 2.685 -13.688 4.236 1.00 0.00 N ATOM 183 CA SER A 12 2.393 -14.801 5.097 1.00 0.00 C ATOM 184 C SER A 12 0.890 -14.929 5.356 1.00 0.00 C ATOM 185 O SER A 12 0.448 -15.867 6.020 1.00 0.00 O ATOM 186 CB SER A 12 3.146 -14.575 6.408 1.00 0.00 C ATOM 187 OG SER A 12 2.985 -15.656 7.308 1.00 0.00 O ATOM 0 H SER A 12 2.722 -12.791 4.720 1.00 0.00 H new ATOM 0 HA SER A 12 2.710 -15.730 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.206 -14.434 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.790 -13.658 6.877 1.00 0.00 H new ATOM 0 HG SER A 12 2.156 -16.135 7.099 1.00 0.00 H new ATOM 193 N VAL A 13 0.091 -14.010 4.817 1.00 0.00 N ATOM 194 CA VAL A 13 -1.328 -13.996 5.132 1.00 0.00 C ATOM 195 C VAL A 13 -2.153 -13.833 3.874 1.00 0.00 C ATOM 196 O VAL A 13 -1.634 -13.834 2.756 1.00 0.00 O ATOM 197 CB VAL A 13 -1.703 -12.868 6.142 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.622 -12.674 7.182 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.001 -11.551 5.437 1.00 0.00 C ATOM 0 H VAL A 13 0.398 -13.281 4.173 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.551 -14.955 5.600 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.613 -13.191 6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.916 -11.881 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.481 -13.601 7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.311 -12.400 6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.258 -10.792 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.122 -11.230 4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.837 -11.687 4.751 1.00 0.00 H new ATOM 209 N ASP A 14 -3.442 -13.699 4.090 1.00 0.00 N ATOM 210 CA ASP A 14 -4.411 -13.447 3.040 1.00 0.00 C ATOM 211 C ASP A 14 -4.300 -11.995 2.572 1.00 0.00 C ATOM 212 O ASP A 14 -5.257 -11.217 2.621 1.00 0.00 O ATOM 213 CB ASP A 14 -5.805 -13.746 3.580 1.00 0.00 C ATOM 214 CG ASP A 14 -6.876 -13.778 2.508 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.882 -14.724 1.694 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.728 -12.864 2.479 1.00 0.00 O ATOM 0 H ASP A 14 -3.858 -13.763 5.019 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.218 -14.091 2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.788 -14.707 4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.068 -12.992 4.322 1.00 0.00 H new ATOM 221 N LEU A 15 -3.103 -11.640 2.128 1.00 0.00 N ATOM 222 CA LEU A 15 -2.790 -10.303 1.662 1.00 0.00 C ATOM 223 C LEU A 15 -3.631 -9.892 0.472 1.00 0.00 C ATOM 224 O LEU A 15 -3.594 -8.745 0.087 1.00 0.00 O ATOM 225 CB LEU A 15 -1.312 -10.242 1.303 1.00 0.00 C ATOM 226 CG LEU A 15 -0.766 -11.512 0.645 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.409 -11.784 -0.701 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.712 -11.412 0.473 1.00 0.00 C ATOM 0 H LEU A 15 -2.313 -12.284 2.082 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.019 -9.603 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.149 -9.400 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.739 -10.042 2.208 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.009 -12.342 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.989 -12.695 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.484 -11.906 -0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.217 -10.947 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.086 -12.322 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.948 -10.555 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.184 -11.286 1.447 1.00 0.00 H new ATOM 240 N ALA A 16 -4.393 -10.814 -0.101 1.00 0.00 N ATOM 241 CA ALA A 16 -5.229 -10.501 -1.254 1.00 0.00 C ATOM 242 C ALA A 16 -6.146 -9.324 -0.961 1.00 0.00 C ATOM 243 O ALA A 16 -6.589 -8.627 -1.872 1.00 0.00 O ATOM 244 CB ALA A 16 -6.039 -11.717 -1.667 1.00 0.00 C ATOM 0 H ALA A 16 -4.450 -11.783 0.212 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.575 -10.221 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.658 -11.467 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.364 -12.532 -1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.678 -12.027 -0.840 1.00 0.00 H new ATOM 250 N GLY A 17 -6.397 -9.092 0.320 1.00 0.00 N ATOM 251 CA GLY A 17 -7.164 -7.940 0.719 1.00 0.00 C ATOM 252 C GLY A 17 -6.390 -6.643 0.545 1.00 0.00 C ATOM 253 O GLY A 17 -6.938 -5.660 0.060 1.00 0.00 O ATOM 0 H GLY A 17 -6.081 -9.685 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.081 -7.895 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.460 -8.047 1.763 1.00 0.00 H new ATOM 257 N PHE A 18 -5.109 -6.635 0.920 1.00 0.00 N ATOM 258 CA PHE A 18 -4.315 -5.412 0.830 1.00 0.00 C ATOM 259 C PHE A 18 -3.527 -5.354 -0.469 1.00 0.00 C ATOM 260 O PHE A 18 -3.569 -4.351 -1.176 1.00 0.00 O ATOM 261 CB PHE A 18 -3.340 -5.267 1.988 1.00 0.00 C ATOM 262 CG PHE A 18 -2.928 -3.831 2.213 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.288 -2.830 1.306 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.187 -3.476 3.327 1.00 0.00 C ATOM 265 CE1 PHE A 18 -2.917 -1.518 1.519 1.00 0.00 C ATOM 266 CE2 PHE A 18 -1.815 -2.163 3.538 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.178 -1.184 2.633 1.00 0.00 C ATOM 0 H PHE A 18 -4.608 -7.446 1.282 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.033 -4.592 0.866 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.798 -5.658 2.897 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.454 -5.871 1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.863 -3.086 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.897 -4.234 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.206 -0.753 0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.239 -1.901 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.883 -0.158 2.799 1.00 0.00 H new ATOM 277 N VAL A 19 -2.800 -6.423 -0.782 1.00 0.00 N ATOM 278 CA VAL A 19 -2.010 -6.457 -1.995 1.00 0.00 C ATOM 279 C VAL A 19 -2.947 -6.233 -3.155 1.00 0.00 C ATOM 280 O VAL A 19 -2.625 -5.545 -4.109 1.00 0.00 O ATOM 281 CB VAL A 19 -1.264 -7.806 -2.195 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.179 -8.907 -2.723 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.081 -7.634 -3.133 1.00 0.00 C ATOM 0 H VAL A 19 -2.746 -7.268 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.246 -5.683 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.909 -8.112 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.608 -9.827 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.992 -9.075 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.592 -8.606 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.426 -8.591 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.433 -7.280 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.614 -6.907 -2.713 1.00 0.00 H new ATOM 293 N GLY A 20 -4.142 -6.780 -2.995 1.00 0.00 N ATOM 294 CA GLY A 20 -5.187 -6.606 -3.963 1.00 0.00 C ATOM 295 C GLY A 20 -5.691 -5.201 -3.933 1.00 0.00 C ATOM 296 O GLY A 20 -5.874 -4.600 -4.971 1.00 0.00 O ATOM 0 H GLY A 20 -4.403 -7.352 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.813 -6.844 -4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.004 -7.297 -3.755 1.00 0.00 H new ATOM 300 N LEU A 21 -5.815 -4.647 -2.735 1.00 0.00 N ATOM 301 CA LEU A 21 -6.383 -3.318 -2.551 1.00 0.00 C ATOM 302 C LEU A 21 -5.651 -2.299 -3.406 1.00 0.00 C ATOM 303 O LEU A 21 -6.262 -1.476 -4.082 1.00 0.00 O ATOM 304 CB LEU A 21 -6.324 -2.905 -1.078 1.00 0.00 C ATOM 305 CG LEU A 21 -7.056 -1.604 -0.741 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.650 -1.670 0.655 1.00 0.00 C ATOM 307 CD2 LEU A 21 -6.110 -0.421 -0.848 1.00 0.00 C ATOM 0 H LEU A 21 -5.527 -5.102 -1.869 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.427 -3.351 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.746 -3.708 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.279 -2.802 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.866 -1.473 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.166 -0.736 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.358 -2.497 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.853 -1.825 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.646 0.497 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.282 -0.553 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.722 -0.356 -1.864 1.00 0.00 H new ATOM 319 N LEU A 22 -4.340 -2.384 -3.396 1.00 0.00 N ATOM 320 CA LEU A 22 -3.518 -1.406 -4.069 1.00 0.00 C ATOM 321 C LEU A 22 -3.196 -1.855 -5.482 1.00 0.00 C ATOM 322 O LEU A 22 -2.926 -1.044 -6.380 1.00 0.00 O ATOM 323 CB LEU A 22 -2.258 -1.184 -3.268 1.00 0.00 C ATOM 324 CG LEU A 22 -1.648 -2.445 -2.653 1.00 0.00 C ATOM 325 CD1 LEU A 22 -0.688 -3.092 -3.624 1.00 0.00 C ATOM 326 CD2 LEU A 22 -0.967 -2.128 -1.336 1.00 0.00 C ATOM 0 H LEU A 22 -3.819 -3.124 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.062 -0.465 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.514 -0.717 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.475 -0.477 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.451 -3.153 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.262 -3.988 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.220 -3.363 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.112 -2.392 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.541 -3.040 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.173 -1.400 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.697 -1.716 -0.639 1.00 0.00 H new ATOM 338 N ARG A 23 -3.218 -3.160 -5.663 1.00 0.00 N ATOM 339 CA ARG A 23 -3.119 -3.766 -6.981 1.00 0.00 C ATOM 340 C ARG A 23 -4.285 -3.305 -7.819 1.00 0.00 C ATOM 341 O ARG A 23 -4.210 -3.170 -9.038 1.00 0.00 O ATOM 342 CB ARG A 23 -3.165 -5.269 -6.817 1.00 0.00 C ATOM 343 CG ARG A 23 -2.709 -6.067 -8.023 1.00 0.00 C ATOM 344 CD ARG A 23 -3.889 -6.700 -8.733 1.00 0.00 C ATOM 345 NE ARG A 23 -4.487 -5.823 -9.744 1.00 0.00 N ATOM 346 CZ ARG A 23 -4.865 -6.237 -10.956 1.00 0.00 C ATOM 347 NH1 ARG A 23 -4.674 -7.501 -11.322 1.00 0.00 N ATOM 348 NH2 ARG A 23 -5.424 -5.381 -11.806 1.00 0.00 N ATOM 0 H ARG A 23 -3.305 -3.833 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.189 -3.477 -7.471 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.544 -5.544 -5.964 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.187 -5.560 -6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.172 -5.416 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.011 -6.843 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.566 -7.626 -9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.648 -6.968 -7.997 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.622 -4.840 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.237 -8.159 -10.676 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.964 -7.813 -12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.564 -4.408 -11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.713 -5.697 -12.732 1.00 0.00 H new ATOM 362 N ARG A 24 -5.357 -3.055 -7.111 1.00 0.00 N ATOM 363 CA ARG A 24 -6.603 -2.598 -7.671 1.00 0.00 C ATOM 364 C ARG A 24 -6.525 -1.123 -7.972 1.00 0.00 C ATOM 365 O ARG A 24 -7.198 -0.610 -8.863 1.00 0.00 O ATOM 366 CB ARG A 24 -7.678 -2.833 -6.639 1.00 0.00 C ATOM 367 CG ARG A 24 -8.127 -4.282 -6.538 1.00 0.00 C ATOM 368 CD ARG A 24 -9.002 -4.469 -5.325 1.00 0.00 C ATOM 369 NE ARG A 24 -9.572 -5.812 -5.237 1.00 0.00 N ATOM 370 CZ ARG A 24 -10.276 -6.247 -4.191 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.527 -5.431 -3.174 1.00 0.00 N ATOM 372 NH2 ARG A 24 -10.736 -7.490 -4.172 1.00 0.00 N ATOM 0 H ARG A 24 -5.387 -3.167 -6.098 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.819 -3.133 -8.596 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.311 -2.508 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.541 -2.211 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.674 -4.565 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.258 -4.937 -6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.418 -4.268 -4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.810 -3.738 -5.350 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.423 -6.451 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.181 -4.471 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.065 -5.764 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.552 -8.114 -4.957 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.274 -7.822 -3.372 1.00 0.00 H new ATOM 386 N LEU A 25 -5.656 -0.460 -7.235 1.00 0.00 N ATOM 387 CA LEU A 25 -5.650 0.980 -7.172 1.00 0.00 C ATOM 388 C LEU A 25 -4.910 1.580 -8.359 1.00 0.00 C ATOM 389 O LEU A 25 -5.369 2.567 -8.935 1.00 0.00 O ATOM 390 CB LEU A 25 -5.041 1.414 -5.836 1.00 0.00 C ATOM 391 CG LEU A 25 -5.024 2.907 -5.561 1.00 0.00 C ATOM 392 CD1 LEU A 25 -5.403 3.165 -4.111 1.00 0.00 C ATOM 393 CD2 LEU A 25 -3.649 3.465 -5.863 1.00 0.00 C ATOM 0 H LEU A 25 -4.937 -0.907 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.672 1.353 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.592 0.924 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.016 1.046 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.750 3.406 -6.203 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.390 4.237 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.403 2.774 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.689 2.669 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.640 4.537 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.910 2.973 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.406 3.288 -6.911 1.00 0.00 H new ATOM 405 N ASN A 26 -3.791 0.963 -8.754 1.00 0.00 N ATOM 406 CA ASN A 26 -2.990 1.486 -9.853 1.00 0.00 C ATOM 407 C ASN A 26 -1.697 0.699 -10.051 1.00 0.00 C ATOM 408 O ASN A 26 -1.069 0.818 -11.101 1.00 0.00 O ATOM 409 CB ASN A 26 -2.643 2.964 -9.611 1.00 0.00 C ATOM 410 CG ASN A 26 -2.195 3.679 -10.869 1.00 0.00 C ATOM 411 OD1 ASN A 26 -1.006 3.728 -11.188 1.00 0.00 O ATOM 412 ND2 ASN A 26 -3.147 4.251 -11.586 1.00 0.00 N ATOM 0 H ASN A 26 -3.427 0.110 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.593 1.386 -10.755 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.515 3.474 -9.200 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.854 3.029 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.909 4.757 -12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.120 4.186 -11.286 1.00 0.00 H new ATOM 419 N VAL A 27 -1.336 -0.137 -9.070 1.00 0.00 N ATOM 420 CA VAL A 27 -0.005 -0.781 -9.010 1.00 0.00 C ATOM 421 C VAL A 27 1.113 0.081 -9.605 1.00 0.00 C ATOM 422 O VAL A 27 1.728 -0.265 -10.614 1.00 0.00 O ATOM 423 CB VAL A 27 0.036 -2.196 -9.649 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.569 -3.218 -8.716 1.00 0.00 C ATOM 425 CG2 VAL A 27 -0.671 -2.239 -10.998 1.00 0.00 C ATOM 0 H VAL A 27 -1.950 -0.389 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 27 0.177 -0.891 -7.941 1.00 0.00 H new ATOM 0 HB VAL A 27 1.085 -2.439 -9.818 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.531 -4.203 -9.181 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.007 -3.236 -7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.606 -2.954 -8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.616 -3.248 -11.406 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.716 -1.956 -10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.188 -1.544 -11.684 1.00 0.00 H new ATOM 435 N PRO A 28 1.372 1.229 -8.970 1.00 0.00 N ATOM 436 CA PRO A 28 2.448 2.143 -9.342 1.00 0.00 C ATOM 437 C PRO A 28 3.674 2.008 -8.439 1.00 0.00 C ATOM 438 O PRO A 28 4.490 2.920 -8.349 1.00 0.00 O ATOM 439 CB PRO A 28 1.774 3.477 -9.072 1.00 0.00 C ATOM 440 CG PRO A 28 1.011 3.224 -7.810 1.00 0.00 C ATOM 441 CD PRO A 28 0.572 1.785 -7.864 1.00 0.00 C ATOM 0 HA PRO A 28 2.822 1.981 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.502 4.279 -8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.115 3.768 -9.890 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.634 3.408 -6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.152 3.890 -7.735 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.770 1.268 -6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.497 1.697 -8.057 1.00 0.00 H new ATOM 449 N HIS A 29 3.801 0.866 -7.784 1.00 0.00 N ATOM 450 CA HIS A 29 4.694 0.743 -6.635 1.00 0.00 C ATOM 451 C HIS A 29 5.819 -0.249 -6.863 1.00 0.00 C ATOM 452 O HIS A 29 5.916 -0.878 -7.912 1.00 0.00 O ATOM 453 CB HIS A 29 3.894 0.302 -5.413 1.00 0.00 C ATOM 454 CG HIS A 29 3.084 -0.945 -5.639 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.727 -0.930 -5.854 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.456 -2.249 -5.694 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.301 -2.168 -6.029 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.327 -2.986 -5.938 1.00 0.00 N ATOM 0 H HIS A 29 3.300 0.011 -8.024 1.00 0.00 H new ATOM 0 HA HIS A 29 5.144 1.723 -6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.579 0.134 -4.582 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.225 1.110 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.457 -2.635 -5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.278 -2.461 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.289 -4.001 -6.033 1.00 0.00 H new ATOM 467 N ARG A 30 6.661 -0.374 -5.847 1.00 0.00 N ATOM 468 CA ARG A 30 7.715 -1.369 -5.827 1.00 0.00 C ATOM 469 C ARG A 30 7.408 -2.462 -4.806 1.00 0.00 C ATOM 470 O ARG A 30 7.026 -2.169 -3.676 1.00 0.00 O ATOM 471 CB ARG A 30 9.036 -0.688 -5.493 1.00 0.00 C ATOM 472 CG ARG A 30 10.164 -1.660 -5.210 1.00 0.00 C ATOM 473 CD ARG A 30 11.403 -0.945 -4.714 1.00 0.00 C ATOM 474 NE ARG A 30 11.785 0.156 -5.599 1.00 0.00 N ATOM 475 CZ ARG A 30 12.878 0.174 -6.355 1.00 0.00 C ATOM 476 NH1 ARG A 30 13.678 -0.882 -6.413 1.00 0.00 N ATOM 477 NH2 ARG A 30 13.151 1.251 -7.078 1.00 0.00 N ATOM 0 H ARG A 30 6.630 0.214 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 30 7.783 -1.838 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.323 -0.043 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.895 -0.045 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.840 -2.388 -4.466 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.402 -2.216 -6.117 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.223 -0.559 -3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.227 -1.655 -4.640 1.00 0.00 H new ATOM 0 HE ARG A 30 11.168 0.968 -5.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.457 -1.719 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.514 -0.857 -6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.525 2.056 -7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.987 1.275 -7.662 1.00 0.00 H new ATOM 491 N VAL A 31 7.548 -3.712 -5.229 1.00 0.00 N ATOM 492 CA VAL A 31 7.390 -4.863 -4.349 1.00 0.00 C ATOM 493 C VAL A 31 8.747 -5.474 -4.021 1.00 0.00 C ATOM 494 O VAL A 31 9.576 -5.691 -4.901 1.00 0.00 O ATOM 495 CB VAL A 31 6.493 -5.948 -4.984 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.402 -7.183 -4.086 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.112 -5.388 -5.277 1.00 0.00 C ATOM 0 H VAL A 31 7.775 -3.957 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 31 6.913 -4.505 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 31 6.947 -6.257 -5.926 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.764 -7.930 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.399 -7.599 -3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.978 -6.901 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.492 -6.165 -5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.653 -5.047 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.198 -4.550 -5.968 1.00 0.00 H new ATOM 507 N SER A 32 8.960 -5.720 -2.749 1.00 0.00 N ATOM 508 CA SER A 32 10.159 -6.379 -2.254 1.00 0.00 C ATOM 509 C SER A 32 9.773 -7.254 -1.065 1.00 0.00 C ATOM 510 O SER A 32 8.595 -7.534 -0.876 1.00 0.00 O ATOM 511 CB SER A 32 11.198 -5.336 -1.840 1.00 0.00 C ATOM 512 OG SER A 32 11.476 -4.441 -2.905 1.00 0.00 O ATOM 0 H SER A 32 8.299 -5.467 -2.014 1.00 0.00 H new ATOM 0 HA SER A 32 10.597 -6.998 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.834 -4.778 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.116 -5.836 -1.532 1.00 0.00 H new ATOM 0 HG SER A 32 12.142 -3.783 -2.614 1.00 0.00 H new ATOM 518 N GLU A 33 10.744 -7.708 -0.289 1.00 0.00 N ATOM 519 CA GLU A 33 10.453 -8.469 0.922 1.00 0.00 C ATOM 520 C GLU A 33 11.238 -7.916 2.103 1.00 0.00 C ATOM 521 O GLU A 33 12.467 -7.948 2.106 1.00 0.00 O ATOM 522 CB GLU A 33 10.784 -9.947 0.729 1.00 0.00 C ATOM 523 CG GLU A 33 9.898 -10.647 -0.284 1.00 0.00 C ATOM 524 CD GLU A 33 10.351 -12.061 -0.567 1.00 0.00 C ATOM 525 OE1 GLU A 33 10.343 -12.894 0.363 1.00 0.00 O ATOM 526 OE2 GLU A 33 10.714 -12.348 -1.726 1.00 0.00 O ATOM 0 H GLU A 33 11.737 -7.565 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 33 9.387 -8.374 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.823 -10.038 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.696 -10.457 1.688 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.872 -10.664 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.893 -10.077 -1.213 1.00 0.00 H new ATOM 533 N GLU A 34 10.524 -7.404 3.098 1.00 0.00 N ATOM 534 CA GLU A 34 11.161 -6.855 4.290 1.00 0.00 C ATOM 535 C GLU A 34 10.734 -7.594 5.551 1.00 0.00 C ATOM 536 O GLU A 34 9.564 -7.555 5.941 1.00 0.00 O ATOM 537 CB GLU A 34 10.867 -5.359 4.446 1.00 0.00 C ATOM 538 CG GLU A 34 11.776 -4.467 3.615 1.00 0.00 C ATOM 539 CD GLU A 34 13.231 -4.580 4.023 1.00 0.00 C ATOM 540 OE1 GLU A 34 13.648 -3.859 4.955 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.964 -5.391 3.426 1.00 0.00 O ATOM 0 H GLU A 34 9.505 -7.357 3.104 1.00 0.00 H new ATOM 0 HA GLU A 34 12.234 -6.990 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.831 -5.170 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.966 -5.086 5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.676 -4.732 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.453 -3.431 3.715 1.00 0.00 H new ATOM 548 N SER A 35 11.697 -8.285 6.157 1.00 0.00 N ATOM 549 CA SER A 35 11.537 -8.901 7.475 1.00 0.00 C ATOM 550 C SER A 35 10.519 -10.042 7.485 1.00 0.00 C ATOM 551 O SER A 35 10.134 -10.522 8.552 1.00 0.00 O ATOM 552 CB SER A 35 11.139 -7.839 8.500 1.00 0.00 C ATOM 553 OG SER A 35 12.036 -6.738 8.465 1.00 0.00 O ATOM 0 H SER A 35 12.618 -8.435 5.745 1.00 0.00 H new ATOM 0 HA SER A 35 12.501 -9.337 7.739 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.125 -7.494 8.297 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.133 -8.276 9.498 1.00 0.00 H new ATOM 0 HG SER A 35 11.761 -6.071 9.128 1.00 0.00 H new ATOM 559 N GLY A 36 10.073 -10.467 6.314 1.00 0.00 N ATOM 560 CA GLY A 36 9.173 -11.588 6.246 1.00 0.00 C ATOM 561 C GLY A 36 7.816 -11.186 5.736 1.00 0.00 C ATOM 562 O GLY A 36 6.857 -11.950 5.814 1.00 0.00 O ATOM 0 H GLY A 36 10.319 -10.055 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.594 -12.353 5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.072 -12.033 7.236 1.00 0.00 H new ATOM 566 N GLN A 37 7.722 -9.965 5.240 1.00 0.00 N ATOM 567 CA GLN A 37 6.526 -9.510 4.580 1.00 0.00 C ATOM 568 C GLN A 37 6.919 -9.041 3.203 1.00 0.00 C ATOM 569 O GLN A 37 8.004 -8.496 3.036 1.00 0.00 O ATOM 570 CB GLN A 37 5.883 -8.351 5.356 1.00 0.00 C ATOM 571 CG GLN A 37 5.731 -8.615 6.850 1.00 0.00 C ATOM 572 CD GLN A 37 4.499 -7.966 7.461 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.544 -7.468 8.587 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.372 -8.049 6.771 1.00 0.00 N ATOM 0 H GLN A 37 8.469 -9.272 5.286 1.00 0.00 H new ATOM 0 HA GLN A 37 5.799 -10.320 4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.486 -7.454 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.900 -8.144 4.932 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.685 -9.691 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.618 -8.249 7.367 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.373 -8.468 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.503 -7.694 7.169 1.00 0.00 H new ATOM 583 N GLN A 38 6.082 -9.273 2.208 1.00 0.00 N ATOM 584 CA GLN A 38 6.285 -8.620 0.952 1.00 0.00 C ATOM 585 C GLN A 38 6.001 -7.178 1.214 1.00 0.00 C ATOM 586 O GLN A 38 5.038 -6.873 1.890 1.00 0.00 O ATOM 587 CB GLN A 38 5.326 -9.121 -0.113 1.00 0.00 C ATOM 588 CG GLN A 38 5.433 -10.587 -0.465 1.00 0.00 C ATOM 589 CD GLN A 38 4.189 -11.044 -1.192 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.241 -11.892 -2.081 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.047 -10.507 -0.773 1.00 0.00 N ATOM 0 H GLN A 38 5.276 -9.896 2.253 1.00 0.00 H new ATOM 0 HA GLN A 38 7.293 -8.808 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.308 -8.921 0.220 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.485 -8.538 -1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.310 -10.755 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.570 -11.177 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.055 -9.806 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.163 -10.796 -1.193 1.00 0.00 H new ATOM 600 N VAL A 39 6.830 -6.297 0.747 1.00 0.00 N ATOM 601 CA VAL A 39 6.687 -4.924 1.123 1.00 0.00 C ATOM 602 C VAL A 39 6.746 -4.022 -0.081 1.00 0.00 C ATOM 603 O VAL A 39 7.413 -4.300 -1.065 1.00 0.00 O ATOM 604 CB VAL A 39 7.714 -4.536 2.187 1.00 0.00 C ATOM 605 CG1 VAL A 39 7.566 -5.479 3.330 1.00 0.00 C ATOM 606 CG2 VAL A 39 9.089 -4.561 1.639 1.00 0.00 C ATOM 0 H VAL A 39 7.603 -6.499 0.113 1.00 0.00 H new ATOM 0 HA VAL A 39 5.701 -4.794 1.569 1.00 0.00 H new ATOM 0 HB VAL A 39 7.536 -3.515 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.288 -5.226 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.557 -5.405 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.745 -6.498 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.797 -4.281 2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.320 -5.565 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.164 -3.856 0.811 1.00 0.00 H new ATOM 616 N LEU A 40 6.023 -2.957 0.029 1.00 0.00 N ATOM 617 CA LEU A 40 5.743 -2.070 -1.051 1.00 0.00 C ATOM 618 C LEU A 40 6.340 -0.705 -0.746 1.00 0.00 C ATOM 619 O LEU A 40 6.207 -0.179 0.362 1.00 0.00 O ATOM 620 CB LEU A 40 4.231 -2.052 -1.187 1.00 0.00 C ATOM 621 CG LEU A 40 3.622 -1.144 -2.264 1.00 0.00 C ATOM 622 CD1 LEU A 40 2.142 -1.423 -2.403 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.833 0.323 -1.946 1.00 0.00 C ATOM 0 H LEU A 40 5.594 -2.670 0.909 1.00 0.00 H new ATOM 0 HA LEU A 40 6.186 -2.383 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.900 -3.072 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.811 -1.759 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 40 4.129 -1.364 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.720 -0.773 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.993 -2.465 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.645 -1.232 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.388 0.933 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.362 0.560 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.901 0.532 -1.885 1.00 0.00 H new ATOM 635 N TRP A 41 7.019 -0.153 -1.733 1.00 0.00 N ATOM 636 CA TRP A 41 7.733 1.091 -1.562 1.00 0.00 C ATOM 637 C TRP A 41 7.280 2.049 -2.641 1.00 0.00 C ATOM 638 O TRP A 41 7.728 1.943 -3.785 1.00 0.00 O ATOM 639 CB TRP A 41 9.274 0.899 -1.677 1.00 0.00 C ATOM 640 CG TRP A 41 9.790 -0.385 -1.087 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.198 -1.590 -1.200 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.995 -0.613 -0.341 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.890 -2.539 -0.542 1.00 0.00 N ATOM 644 CE2 TRP A 41 11.007 -1.980 -0.008 1.00 0.00 C ATOM 645 CE3 TRP A 41 12.052 0.186 0.095 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.014 -2.565 0.735 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.066 -0.398 0.833 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.038 -1.763 1.150 1.00 0.00 C ATOM 0 H TRP A 41 7.089 -0.553 -2.669 1.00 0.00 H new ATOM 0 HA TRP A 41 7.518 1.477 -0.566 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.554 0.939 -2.730 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.769 1.735 -1.184 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.285 -1.771 -1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.619 -3.519 -0.458 1.00 0.00 H new ATOM 0 HE3 TRP A 41 12.078 1.240 -0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 11.992 -3.617 0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.893 0.208 1.171 1.00 0.00 H new ATOM 0 HH2 TRP A 41 13.841 -2.188 1.733 1.00 0.00 H new ATOM 659 N VAL A 42 6.336 2.919 -2.328 1.00 0.00 N ATOM 660 CA VAL A 42 5.988 3.958 -3.284 1.00 0.00 C ATOM 661 C VAL A 42 5.622 5.353 -2.685 1.00 0.00 C ATOM 662 O VAL A 42 5.069 6.187 -3.400 1.00 0.00 O ATOM 663 CB VAL A 42 4.873 3.451 -4.226 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.501 3.513 -3.582 1.00 0.00 C ATOM 665 CG2 VAL A 42 4.890 4.194 -5.545 1.00 0.00 C ATOM 0 H VAL A 42 5.812 2.931 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 42 6.907 4.150 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 42 5.083 2.400 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.753 3.146 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.492 2.894 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.272 4.544 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.094 3.815 -6.186 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.736 5.258 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.852 4.045 -6.034 1.00 0.00 H new ATOM 675 N PRO A 43 5.910 5.678 -1.398 1.00 0.00 N ATOM 676 CA PRO A 43 5.716 7.042 -0.902 1.00 0.00 C ATOM 677 C PRO A 43 6.970 7.915 -1.020 1.00 0.00 C ATOM 678 O PRO A 43 7.642 7.927 -2.049 1.00 0.00 O ATOM 679 CB PRO A 43 5.425 6.760 0.549 1.00 0.00 C ATOM 680 CG PRO A 43 6.413 5.723 0.881 1.00 0.00 C ATOM 681 CD PRO A 43 6.347 4.796 -0.288 1.00 0.00 C ATOM 0 HA PRO A 43 4.954 7.594 -1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.548 7.649 1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.404 6.408 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.411 6.144 1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.164 5.214 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.315 4.339 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.641 3.983 -0.118 1.00 0.00 H new ATOM 689 N ASP A 44 7.273 8.637 0.056 1.00 0.00 N ATOM 690 CA ASP A 44 8.477 9.456 0.137 1.00 0.00 C ATOM 691 C ASP A 44 9.008 9.413 1.570 1.00 0.00 C ATOM 692 O ASP A 44 9.993 8.742 1.861 1.00 0.00 O ATOM 693 CB ASP A 44 8.179 10.902 -0.282 1.00 0.00 C ATOM 694 CG ASP A 44 9.418 11.649 -0.721 1.00 0.00 C ATOM 695 OD1 ASP A 44 10.204 12.076 0.151 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.608 11.819 -1.945 1.00 0.00 O ATOM 0 H ASP A 44 6.692 8.670 0.894 1.00 0.00 H new ATOM 0 HA ASP A 44 9.230 9.061 -0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.454 10.898 -1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.718 11.430 0.553 1.00 0.00 H new ATOM 701 N GLU A 45 8.319 10.111 2.464 1.00 0.00 N ATOM 702 CA GLU A 45 8.593 10.050 3.893 1.00 0.00 C ATOM 703 C GLU A 45 7.400 10.605 4.657 1.00 0.00 C ATOM 704 O GLU A 45 6.904 9.984 5.596 1.00 0.00 O ATOM 705 CB GLU A 45 9.873 10.808 4.257 1.00 0.00 C ATOM 706 CG GLU A 45 10.080 10.935 5.757 1.00 0.00 C ATOM 707 CD GLU A 45 11.531 11.112 6.141 1.00 0.00 C ATOM 708 OE1 GLU A 45 12.153 12.110 5.713 1.00 0.00 O ATOM 709 OE2 GLU A 45 12.059 10.250 6.875 1.00 0.00 O ATOM 0 H GLU A 45 7.552 10.737 2.217 1.00 0.00 H new ATOM 0 HA GLU A 45 8.751 9.008 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.730 10.295 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.838 11.804 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.506 11.785 6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.686 10.046 6.249 1.00 0.00 H new ATOM 716 N ARG A 46 6.911 11.761 4.220 1.00 0.00 N ATOM 717 CA ARG A 46 5.684 12.320 4.777 1.00 0.00 C ATOM 718 C ARG A 46 4.527 11.677 4.041 1.00 0.00 C ATOM 719 O ARG A 46 3.441 11.462 4.573 1.00 0.00 O ATOM 720 CB ARG A 46 5.651 13.853 4.618 1.00 0.00 C ATOM 721 CG ARG A 46 5.211 14.341 3.237 1.00 0.00 C ATOM 722 CD ARG A 46 3.705 14.564 3.176 1.00 0.00 C ATOM 723 NE ARG A 46 3.216 14.717 1.806 1.00 0.00 N ATOM 724 CZ ARG A 46 1.940 14.948 1.492 1.00 0.00 C ATOM 725 NH1 ARG A 46 1.018 15.021 2.444 1.00 0.00 N ATOM 726 NH2 ARG A 46 1.580 15.081 0.223 1.00 0.00 N ATOM 0 H ARG A 46 7.341 12.325 3.488 1.00 0.00 H new ATOM 0 HA ARG A 46 5.623 12.114 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.977 14.268 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.645 14.248 4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.727 15.271 2.997 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.502 13.611 2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.197 13.723 3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.449 15.454 3.751 1.00 0.00 H new ATOM 0 HE ARG A 46 3.891 14.643 1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.283 14.900 3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.044 15.198 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.279 15.007 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.604 15.258 -0.014 1.00 0.00 H new ATOM 740 N LEU A 47 4.823 11.341 2.795 1.00 0.00 N ATOM 741 CA LEU A 47 3.861 10.769 1.882 1.00 0.00 C ATOM 742 C LEU A 47 3.588 9.320 2.273 1.00 0.00 C ATOM 743 O LEU A 47 2.526 8.789 2.005 1.00 0.00 O ATOM 744 CB LEU A 47 4.420 10.875 0.454 1.00 0.00 C ATOM 745 CG LEU A 47 3.398 10.776 -0.680 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.015 11.254 -1.984 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.913 9.346 -0.832 1.00 0.00 C ATOM 0 H LEU A 47 5.751 11.462 2.390 1.00 0.00 H new ATOM 0 HA LEU A 47 2.915 11.308 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.944 11.826 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.161 10.088 0.317 1.00 0.00 H new ATOM 0 HG LEU A 47 2.547 11.411 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.278 11.179 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.331 12.292 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.878 10.635 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.186 9.292 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.759 8.697 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.445 9.020 0.097 1.00 0.00 H new ATOM 759 N ALA A 48 4.562 8.713 2.940 1.00 0.00 N ATOM 760 CA ALA A 48 4.482 7.327 3.415 1.00 0.00 C ATOM 761 C ALA A 48 3.133 7.004 4.043 1.00 0.00 C ATOM 762 O ALA A 48 2.519 5.970 3.749 1.00 0.00 O ATOM 763 CB ALA A 48 5.587 7.097 4.427 1.00 0.00 C ATOM 0 H ALA A 48 5.443 9.171 3.172 1.00 0.00 H new ATOM 0 HA ALA A 48 4.599 6.667 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.540 6.070 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.554 7.272 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.462 7.783 5.264 1.00 0.00 H new ATOM 769 N GLU A 49 2.659 7.921 4.858 1.00 0.00 N ATOM 770 CA GLU A 49 1.438 7.714 5.613 1.00 0.00 C ATOM 771 C GLU A 49 0.247 7.902 4.697 1.00 0.00 C ATOM 772 O GLU A 49 -0.724 7.163 4.751 1.00 0.00 O ATOM 773 CB GLU A 49 1.387 8.686 6.790 1.00 0.00 C ATOM 774 CG GLU A 49 2.682 8.711 7.579 1.00 0.00 C ATOM 775 CD GLU A 49 2.603 9.568 8.822 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.215 9.045 9.885 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.949 10.764 8.749 1.00 0.00 O ATOM 0 H GLU A 49 3.104 8.825 5.017 1.00 0.00 H new ATOM 0 HA GLU A 49 1.413 6.700 6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.171 9.688 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.567 8.407 7.452 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.947 7.693 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.483 9.082 6.940 1.00 0.00 H new ATOM 784 N GLN A 50 0.364 8.869 3.815 1.00 0.00 N ATOM 785 CA GLN A 50 -0.653 9.137 2.827 1.00 0.00 C ATOM 786 C GLN A 50 -0.791 7.942 1.887 1.00 0.00 C ATOM 787 O GLN A 50 -1.890 7.596 1.457 1.00 0.00 O ATOM 788 CB GLN A 50 -0.275 10.425 2.070 1.00 0.00 C ATOM 789 CG GLN A 50 -0.385 10.353 0.551 1.00 0.00 C ATOM 790 CD GLN A 50 -1.799 10.555 0.030 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.996 11.087 -1.062 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.789 10.130 0.792 1.00 0.00 N ATOM 0 H GLN A 50 1.170 9.492 3.764 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.622 9.287 3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.914 11.234 2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.750 10.690 2.330 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.266 11.109 0.112 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.018 9.383 0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.589 9.693 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.754 10.238 0.481 1.00 0.00 H new ATOM 801 N VAL A 51 0.312 7.254 1.652 1.00 0.00 N ATOM 802 CA VAL A 51 0.360 6.285 0.583 1.00 0.00 C ATOM 803 C VAL A 51 -0.333 5.002 1.004 1.00 0.00 C ATOM 804 O VAL A 51 -1.284 4.592 0.374 1.00 0.00 O ATOM 805 CB VAL A 51 1.814 6.035 0.066 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.466 4.788 0.645 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.829 5.978 -1.452 1.00 0.00 C ATOM 0 H VAL A 51 1.177 7.350 2.184 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.184 6.698 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 51 2.409 6.879 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.472 4.682 0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.520 4.876 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.874 3.912 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.847 5.803 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.185 5.167 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.465 6.923 -1.855 1.00 0.00 H new ATOM 817 N ARG A 52 0.083 4.390 2.089 1.00 0.00 N ATOM 818 CA ARG A 52 -0.538 3.136 2.475 1.00 0.00 C ATOM 819 C ARG A 52 -1.823 3.391 3.234 1.00 0.00 C ATOM 820 O ARG A 52 -2.836 2.752 2.966 1.00 0.00 O ATOM 821 CB ARG A 52 0.419 2.269 3.283 1.00 0.00 C ATOM 822 CG ARG A 52 0.596 2.703 4.728 1.00 0.00 C ATOM 823 CD ARG A 52 1.638 1.859 5.420 1.00 0.00 C ATOM 824 NE ARG A 52 1.899 2.304 6.789 1.00 0.00 N ATOM 825 CZ ARG A 52 2.352 1.512 7.760 1.00 0.00 C ATOM 826 NH1 ARG A 52 2.508 0.210 7.547 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.626 2.025 8.954 1.00 0.00 N ATOM 0 H ARG A 52 0.824 4.723 2.705 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.784 2.586 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.058 1.241 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.393 2.273 2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.890 3.752 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.354 2.620 5.256 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.308 0.820 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.565 1.890 4.848 1.00 0.00 H new ATOM 0 HE ARG A 52 1.723 3.283 7.015 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.281 -0.189 6.636 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.855 -0.391 8.294 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.489 3.021 9.125 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.973 1.423 9.700 1.00 0.00 H new ATOM 841 N GLU A 53 -1.799 4.376 4.119 1.00 0.00 N ATOM 842 CA GLU A 53 -2.883 4.577 5.056 1.00 0.00 C ATOM 843 C GLU A 53 -4.065 5.218 4.401 1.00 0.00 C ATOM 844 O GLU A 53 -5.169 5.074 4.886 1.00 0.00 O ATOM 845 CB GLU A 53 -2.445 5.455 6.217 1.00 0.00 C ATOM 846 CG GLU A 53 -1.253 4.922 6.973 1.00 0.00 C ATOM 847 CD GLU A 53 -1.624 3.783 7.892 1.00 0.00 C ATOM 848 OE1 GLU A 53 -2.572 3.955 8.690 1.00 0.00 O ATOM 849 OE2 GLU A 53 -0.973 2.725 7.829 1.00 0.00 O ATOM 0 H GLU A 53 -1.036 5.048 4.204 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.164 3.590 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.207 6.449 5.838 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.280 5.569 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.497 4.584 6.264 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.805 5.727 7.557 1.00 0.00 H new ATOM 856 N LEU A 54 -3.859 5.948 3.330 1.00 0.00 N ATOM 857 CA LEU A 54 -4.988 6.542 2.666 1.00 0.00 C ATOM 858 C LEU A 54 -5.345 5.773 1.429 1.00 0.00 C ATOM 859 O LEU A 54 -6.501 5.697 1.085 1.00 0.00 O ATOM 860 CB LEU A 54 -4.786 8.022 2.365 1.00 0.00 C ATOM 861 CG LEU A 54 -4.837 8.910 3.604 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.538 8.798 4.378 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.124 10.352 3.227 1.00 0.00 C ATOM 0 H LEU A 54 -2.948 6.139 2.912 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.828 6.486 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.823 8.156 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.552 8.349 1.662 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.651 8.569 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.584 9.436 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.386 7.763 4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.709 9.114 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.155 10.964 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.338 10.719 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.085 10.410 2.715 1.00 0.00 H new ATOM 875 N TYR A 55 -4.385 5.143 0.784 1.00 0.00 N ATOM 876 CA TYR A 55 -4.721 4.362 -0.402 1.00 0.00 C ATOM 877 C TYR A 55 -5.704 3.281 -0.015 1.00 0.00 C ATOM 878 O TYR A 55 -6.557 2.901 -0.800 1.00 0.00 O ATOM 879 CB TYR A 55 -3.506 3.729 -1.080 1.00 0.00 C ATOM 880 CG TYR A 55 -2.755 4.662 -2.013 1.00 0.00 C ATOM 881 CD1 TYR A 55 -2.996 6.029 -2.008 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.793 4.171 -2.888 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.308 6.881 -2.850 1.00 0.00 C ATOM 884 CE2 TYR A 55 -1.101 5.017 -3.735 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.360 6.369 -3.709 1.00 0.00 C ATOM 886 OH TYR A 55 -0.674 7.210 -4.551 1.00 0.00 O ATOM 0 H TYR A 55 -3.398 5.150 1.043 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.155 5.051 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.820 3.373 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.833 2.856 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.735 6.434 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.583 3.112 -2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.512 7.941 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.361 4.619 -4.414 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.042 6.690 -5.090 1.00 0.00 H new ATOM 896 N ARG A 56 -5.607 2.829 1.227 1.00 0.00 N ATOM 897 CA ARG A 56 -6.492 1.789 1.719 1.00 0.00 C ATOM 898 C ARG A 56 -7.898 2.294 2.083 1.00 0.00 C ATOM 899 O ARG A 56 -8.751 1.485 2.431 1.00 0.00 O ATOM 900 CB ARG A 56 -5.862 1.123 2.933 1.00 0.00 C ATOM 901 CG ARG A 56 -5.391 2.105 3.958 1.00 0.00 C ATOM 902 CD ARG A 56 -4.706 1.412 5.129 1.00 0.00 C ATOM 903 NE ARG A 56 -4.921 2.117 6.390 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.967 1.508 7.576 1.00 0.00 C ATOM 905 NH1 ARG A 56 -4.725 0.209 7.669 1.00 0.00 N ATOM 906 NH2 ARG A 56 -5.235 2.204 8.672 1.00 0.00 N ATOM 0 H ARG A 56 -4.927 3.166 1.908 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.620 1.077 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.588 0.450 3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.020 0.512 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.699 2.809 3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.239 2.685 4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.082 0.393 5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.636 1.342 4.932 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.042 3.129 6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.502 -0.330 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.761 -0.253 8.578 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.407 3.208 8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.270 1.736 9.578 1.00 0.00 H new ATOM 920 N ARG A 57 -8.159 3.609 2.020 1.00 0.00 N ATOM 921 CA ARG A 57 -9.439 4.119 2.546 1.00 0.00 C ATOM 922 C ARG A 57 -9.928 5.423 1.903 1.00 0.00 C ATOM 923 O ARG A 57 -11.102 5.762 2.023 1.00 0.00 O ATOM 924 CB ARG A 57 -9.326 4.297 4.055 1.00 0.00 C ATOM 925 CG ARG A 57 -7.907 4.572 4.504 1.00 0.00 C ATOM 926 CD ARG A 57 -7.798 4.782 5.996 1.00 0.00 C ATOM 927 NE ARG A 57 -8.761 5.763 6.490 1.00 0.00 N ATOM 928 CZ ARG A 57 -8.574 6.517 7.569 1.00 0.00 C ATOM 929 NH1 ARG A 57 -7.444 6.434 8.261 1.00 0.00 N ATOM 930 NH2 ARG A 57 -9.522 7.354 7.957 1.00 0.00 N ATOM 0 H ARG A 57 -7.533 4.313 1.629 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.189 3.371 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.968 5.120 4.369 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.693 3.399 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.269 3.738 4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.532 5.456 3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.956 3.832 6.507 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.788 5.112 6.241 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.633 5.877 5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.712 5.788 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.308 7.016 9.088 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.392 7.419 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.383 7.934 8.784 1.00 0.00 H new ATOM 944 N TYR A 58 -9.047 6.174 1.261 1.00 0.00 N ATOM 945 CA TYR A 58 -9.458 7.396 0.566 1.00 0.00 C ATOM 946 C TYR A 58 -9.294 7.265 -0.962 1.00 0.00 C ATOM 947 O TYR A 58 -10.287 7.248 -1.669 1.00 0.00 O ATOM 948 CB TYR A 58 -8.729 8.632 1.115 1.00 0.00 C ATOM 949 CG TYR A 58 -9.160 9.047 2.496 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.107 8.151 3.543 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.601 10.337 2.753 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.488 8.514 4.814 1.00 0.00 C ATOM 953 CE2 TYR A 58 -9.985 10.714 4.024 1.00 0.00 C ATOM 954 CZ TYR A 58 -9.926 9.798 5.051 1.00 0.00 C ATOM 955 OH TYR A 58 -10.310 10.168 6.319 1.00 0.00 O ATOM 0 H TYR A 58 -8.050 5.966 1.203 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.521 7.538 0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.658 8.431 1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.889 9.466 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.760 7.145 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.644 11.056 1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.444 7.797 5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.329 11.720 4.212 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.591 11.107 6.315 1.00 0.00 H new ATOM 965 N PRO A 59 -8.058 7.223 -1.511 1.00 0.00 N ATOM 966 CA PRO A 59 -7.826 6.851 -2.919 1.00 0.00 C ATOM 967 C PRO A 59 -8.565 5.587 -3.381 1.00 0.00 C ATOM 968 O PRO A 59 -9.066 5.546 -4.503 1.00 0.00 O ATOM 969 CB PRO A 59 -6.321 6.631 -2.941 1.00 0.00 C ATOM 970 CG PRO A 59 -5.815 7.655 -2.001 1.00 0.00 C ATOM 971 CD PRO A 59 -6.798 7.664 -0.877 1.00 0.00 C ATOM 0 HA PRO A 59 -8.200 7.614 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.057 5.624 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.909 6.764 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.814 7.407 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.752 8.633 -2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.496 6.990 -0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.896 8.657 -0.439 1.00 0.00 H new ATOM 979 N GLU A 60 -8.631 4.556 -2.541 1.00 0.00 N ATOM 980 CA GLU A 60 -9.389 3.357 -2.893 1.00 0.00 C ATOM 981 C GLU A 60 -10.664 3.355 -2.081 1.00 0.00 C ATOM 982 O GLU A 60 -11.572 2.557 -2.291 1.00 0.00 O ATOM 983 CB GLU A 60 -8.574 2.079 -2.683 1.00 0.00 C ATOM 984 CG GLU A 60 -9.278 0.815 -3.143 1.00 0.00 C ATOM 985 CD GLU A 60 -9.665 0.843 -4.616 1.00 0.00 C ATOM 986 OE1 GLU A 60 -10.596 1.589 -4.985 1.00 0.00 O ATOM 987 OE2 GLU A 60 -9.053 0.097 -5.408 1.00 0.00 O ATOM 0 H GLU A 60 -8.178 4.525 -1.628 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.630 3.376 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.629 2.171 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.333 1.984 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.628 -0.041 -2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.175 0.668 -2.542 1.00 0.00 H new ATOM 994 N GLY A 61 -10.717 4.305 -1.166 1.00 0.00 N ATOM 995 CA GLY A 61 -11.956 4.678 -0.541 1.00 0.00 C ATOM 996 C GLY A 61 -12.675 5.675 -1.407 1.00 0.00 C ATOM 997 O GLY A 61 -13.470 6.495 -0.952 1.00 0.00 O ATOM 0 H GLY A 61 -9.905 4.831 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.579 3.796 -0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.765 5.106 0.443 1.00 0.00 H new ATOM 1001 N ASP A 62 -12.339 5.613 -2.671 1.00 0.00 N ATOM 1002 CA ASP A 62 -12.931 6.454 -3.682 1.00 0.00 C ATOM 1003 C ASP A 62 -14.330 5.930 -3.953 1.00 0.00 C ATOM 1004 O ASP A 62 -14.641 4.801 -3.559 1.00 0.00 O ATOM 1005 CB ASP A 62 -12.050 6.390 -4.944 1.00 0.00 C ATOM 1006 CG ASP A 62 -12.437 7.374 -6.030 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -12.000 8.543 -5.961 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -13.167 6.978 -6.962 1.00 0.00 O ATOM 0 H ASP A 62 -11.636 4.968 -3.032 1.00 0.00 H new ATOM 0 HA ASP A 62 -12.996 7.494 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.014 6.572 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.095 5.381 -5.353 1.00 0.00 H new ATOM 1013 N PRO A 63 -15.217 6.732 -4.562 1.00 0.00 N ATOM 1014 CA PRO A 63 -16.497 6.253 -5.088 1.00 0.00 C ATOM 1015 C PRO A 63 -16.376 4.900 -5.810 1.00 0.00 C ATOM 1016 O PRO A 63 -17.375 4.221 -6.037 1.00 0.00 O ATOM 1017 CB PRO A 63 -16.920 7.356 -6.075 1.00 0.00 C ATOM 1018 CG PRO A 63 -15.891 8.445 -5.970 1.00 0.00 C ATOM 1019 CD PRO A 63 -15.094 8.180 -4.722 1.00 0.00 C ATOM 0 HA PRO A 63 -17.218 6.079 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -16.970 6.967 -7.092 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -17.912 7.736 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.244 8.449 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.369 9.423 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.054 8.488 -4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.496 8.718 -3.863 1.00 0.00 H new ATOM 1027 N GLN A 64 -15.148 4.525 -6.174 1.00 0.00 N ATOM 1028 CA GLN A 64 -14.872 3.226 -6.765 1.00 0.00 C ATOM 1029 C GLN A 64 -15.314 2.087 -5.858 1.00 0.00 C ATOM 1030 O GLN A 64 -16.228 1.335 -6.203 1.00 0.00 O ATOM 1031 CB GLN A 64 -13.378 3.050 -7.052 1.00 0.00 C ATOM 1032 CG GLN A 64 -12.790 4.127 -7.938 1.00 0.00 C ATOM 1033 CD GLN A 64 -11.316 3.912 -8.234 1.00 0.00 C ATOM 1034 OE1 GLN A 64 -10.827 4.302 -9.295 1.00 0.00 O ATOM 1035 NE2 GLN A 64 -10.595 3.286 -7.311 1.00 0.00 N ATOM 0 H GLN A 64 -14.323 5.115 -6.065 1.00 0.00 H new ATOM 0 HA GLN A 64 -15.438 3.192 -7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.836 3.036 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.221 2.080 -7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -13.343 4.159 -8.877 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.921 5.097 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.034 2.977 -6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.602 3.114 -7.469 1.00 0.00 H new ATOM 1044 N ALA A 65 -14.677 1.954 -4.692 1.00 0.00 N ATOM 1045 CA ALA A 65 -14.801 0.709 -3.955 1.00 0.00 C ATOM 1046 C ALA A 65 -14.820 0.853 -2.432 1.00 0.00 C ATOM 1047 O ALA A 65 -15.875 1.013 -1.815 1.00 0.00 O ATOM 1048 CB ALA A 65 -13.661 -0.205 -4.370 1.00 0.00 C ATOM 0 H ALA A 65 -14.093 2.667 -4.256 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.777 0.295 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.735 -1.148 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.720 -0.397 -5.441 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.709 0.273 -4.139 1.00 0.00 H new ATOM 1054 N THR A 66 -13.636 0.785 -1.859 1.00 0.00 N ATOM 1055 CA THR A 66 -13.433 0.587 -0.433 1.00 0.00 C ATOM 1056 C THR A 66 -13.699 1.869 0.371 1.00 0.00 C ATOM 1057 O THR A 66 -13.948 2.912 -0.209 1.00 0.00 O ATOM 1058 CB THR A 66 -11.983 0.045 -0.252 1.00 0.00 C ATOM 1059 OG1 THR A 66 -11.993 -1.384 -0.331 1.00 0.00 O ATOM 1060 CG2 THR A 66 -11.300 0.486 1.035 1.00 0.00 C ATOM 0 H THR A 66 -12.765 0.868 -2.383 1.00 0.00 H new ATOM 0 HA THR A 66 -14.148 -0.134 -0.038 1.00 0.00 H new ATOM 0 HB THR A 66 -11.396 0.479 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.081 -1.724 -0.219 1.00 0.00 H new ATOM 0 HG21 THR A 66 -10.296 0.063 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.237 1.574 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.877 0.137 1.891 1.00 0.00 H new ATOM 1068 N LEU A 67 -13.794 1.727 1.698 1.00 0.00 N ATOM 1069 CA LEU A 67 -13.683 2.837 2.646 1.00 0.00 C ATOM 1070 C LEU A 67 -13.117 2.316 3.945 1.00 0.00 C ATOM 1071 O LEU A 67 -11.929 2.428 4.234 1.00 0.00 O ATOM 1072 CB LEU A 67 -15.032 3.482 2.971 1.00 0.00 C ATOM 1073 CG LEU A 67 -15.683 4.218 1.834 1.00 0.00 C ATOM 1074 CD1 LEU A 67 -17.023 4.794 2.261 1.00 0.00 C ATOM 1075 CD2 LEU A 67 -14.742 5.307 1.377 1.00 0.00 C ATOM 0 H LEU A 67 -13.952 0.825 2.148 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.043 3.586 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -15.714 2.705 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.894 4.176 3.800 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.879 3.533 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.476 5.322 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -17.682 3.986 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.874 5.488 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -15.194 5.856 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -14.548 5.991 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.804 4.862 1.046 1.00 0.00 H new ATOM 1087 N GLU A 68 -14.003 1.693 4.693 1.00 0.00 N ATOM 1088 CA GLU A 68 -13.687 1.145 5.999 1.00 0.00 C ATOM 1089 C GLU A 68 -13.385 -0.340 5.875 1.00 0.00 C ATOM 1090 O GLU A 68 -13.403 -1.085 6.857 1.00 0.00 O ATOM 1091 CB GLU A 68 -14.864 1.376 6.944 1.00 0.00 C ATOM 1092 CG GLU A 68 -15.112 2.837 7.278 1.00 0.00 C ATOM 1093 CD GLU A 68 -14.014 3.440 8.130 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -13.877 3.024 9.301 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -13.308 4.351 7.649 1.00 0.00 O ATOM 0 H GLU A 68 -14.973 1.550 4.411 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.806 1.644 6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.765 0.959 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.687 0.828 7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.201 3.406 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -16.064 2.929 7.802 1.00 0.00 H new ATOM 1102 N ALA A 69 -13.106 -0.759 4.654 1.00 0.00 N ATOM 1103 CA ALA A 69 -12.820 -2.154 4.365 1.00 0.00 C ATOM 1104 C ALA A 69 -11.327 -2.411 4.341 1.00 0.00 C ATOM 1105 O ALA A 69 -10.899 -3.528 4.064 1.00 0.00 O ATOM 1106 CB ALA A 69 -13.411 -2.563 3.035 1.00 0.00 C ATOM 0 H ALA A 69 -13.071 -0.147 3.839 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.273 -2.747 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.183 -3.611 2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -14.492 -2.426 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.985 -1.947 2.243 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.548 -1.355 4.587 1.00 0.00 N ATOM 1113 CA ALA A 70 -9.091 -1.453 4.646 1.00 0.00 C ATOM 1114 C ALA A 70 -8.676 -2.647 5.498 1.00 0.00 C ATOM 1115 O ALA A 70 -8.804 -2.621 6.724 1.00 0.00 O ATOM 1116 CB ALA A 70 -8.500 -0.172 5.211 1.00 0.00 C ATOM 0 H ALA A 70 -10.908 -0.415 4.750 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.710 -1.597 3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.414 -0.258 5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.775 0.668 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.887 -0.005 6.216 1.00 0.00 H new TER 1122 ALA A 70