USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 925 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 27 LYS NZ :NH3+ 174:sc= 0.615 (180deg=-0.0479) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0.548 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0.724 (180deg=-0.0558) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -119:sc= 0.905 USER MOD Single : A 7 MET CE :methyl -137:sc= -0.194 (180deg=-1.41!) USER MOD Single : A 10 SER OG : rot 79:sc= 0.761 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.85! C(o=-1.9!,f=-7.7!) USER MOD Single : A 48 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3!) USER MOD Single : A 50 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.537 K(o=-0.54,f=-4.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -142:sc= -0.123 (180deg=-0.93) USER MOD Single : A 72 THR OG1 : rot -140:sc= -0.0423 USER MOD Single : A 103 THR OG1 : rot -109:sc= 0.113 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0.169 X(o=0.17,f=-0.021) USER MOD Single : A 117 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.701 0.815 -1.134 1.00 0.00 N ATOM 2 CA MET A 1 3.104 0.828 -1.598 1.00 0.00 C ATOM 3 C MET A 1 3.371 -0.242 -2.663 1.00 0.00 C ATOM 4 O MET A 1 4.283 -0.076 -3.480 1.00 0.00 O ATOM 5 CB MET A 1 4.065 0.662 -0.392 1.00 0.00 C ATOM 6 CG MET A 1 5.561 0.684 -0.749 1.00 0.00 C ATOM 7 SD MET A 1 6.012 2.165 -1.683 1.00 0.00 S ATOM 8 CE MET A 1 7.717 1.831 -2.124 1.00 0.00 C ATOM 0 H1 MET A 1 1.389 1.789 -0.945 1.00 0.00 H new ATOM 0 H2 MET A 1 1.096 0.394 -1.868 1.00 0.00 H new ATOM 0 H3 MET A 1 1.629 0.253 -0.262 1.00 0.00 H new ATOM 0 HA MET A 1 3.289 1.794 -2.069 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.866 1.458 0.325 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.839 -0.280 0.107 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.153 0.638 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.807 -0.202 -1.333 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.114 2.666 -2.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.309 1.703 -1.218 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.767 0.920 -2.721 1.00 0.00 H new ATOM 18 N ARG A 2 2.546 -1.308 -2.671 1.00 0.00 N ATOM 19 CA ARG A 2 2.721 -2.474 -3.553 1.00 0.00 C ATOM 20 C ARG A 2 4.055 -3.170 -3.239 1.00 0.00 C ATOM 21 O ARG A 2 5.050 -3.042 -3.965 1.00 0.00 O ATOM 22 CB ARG A 2 2.581 -2.097 -5.055 1.00 0.00 C ATOM 23 CG ARG A 2 1.224 -1.454 -5.423 1.00 0.00 C ATOM 24 CD ARG A 2 1.203 -0.903 -6.855 1.00 0.00 C ATOM 25 NE ARG A 2 2.120 0.245 -7.040 1.00 0.00 N ATOM 26 CZ ARG A 2 3.148 0.304 -7.902 1.00 0.00 C ATOM 27 NH1 ARG A 2 3.528 -0.760 -8.585 1.00 0.00 N ATOM 28 NH2 ARG A 2 3.806 1.437 -8.051 1.00 0.00 N ATOM 0 H ARG A 2 1.733 -1.382 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 2 1.917 -3.183 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.381 -1.407 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.721 -2.994 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.432 -2.195 -5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.007 -0.647 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.477 -1.697 -7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.188 -0.596 -7.107 1.00 0.00 H new ATOM 0 HE ARG A 2 1.956 1.067 -6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 2 3.038 -1.646 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.311 -0.696 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.533 2.260 -7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.588 1.491 -8.704 1.00 0.00 H new ATOM 42 N LEU A 3 4.057 -3.866 -2.103 1.00 0.00 N ATOM 43 CA LEU A 3 5.255 -4.447 -1.493 1.00 0.00 C ATOM 44 C LEU A 3 5.087 -5.966 -1.299 1.00 0.00 C ATOM 45 O LEU A 3 3.987 -6.506 -1.504 1.00 0.00 O ATOM 46 CB LEU A 3 5.567 -3.688 -0.155 1.00 0.00 C ATOM 47 CG LEU A 3 4.351 -3.165 0.703 1.00 0.00 C ATOM 48 CD1 LEU A 3 3.384 -4.289 1.121 1.00 0.00 C ATOM 49 CD2 LEU A 3 4.840 -2.367 1.939 1.00 0.00 C ATOM 0 H LEU A 3 3.207 -4.046 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 3 6.112 -4.323 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.159 -4.352 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.198 -2.832 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 3 3.787 -2.492 0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.568 -3.868 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.979 -4.770 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.920 -5.026 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.980 -2.019 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.457 -3.010 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.427 -1.510 1.610 1.00 0.00 H new ATOM 61 N LYS A 4 6.186 -6.647 -0.911 1.00 0.00 N ATOM 62 CA LYS A 4 6.169 -8.103 -0.672 1.00 0.00 C ATOM 63 C LYS A 4 5.541 -8.411 0.705 1.00 0.00 C ATOM 64 O LYS A 4 5.286 -7.496 1.504 1.00 0.00 O ATOM 65 CB LYS A 4 7.602 -8.722 -0.793 1.00 0.00 C ATOM 66 CG LYS A 4 8.556 -8.454 0.394 1.00 0.00 C ATOM 67 CD LYS A 4 9.934 -9.151 0.254 1.00 0.00 C ATOM 68 CE LYS A 4 10.740 -8.680 -0.970 1.00 0.00 C ATOM 69 NZ LYS A 4 12.035 -9.392 -1.089 1.00 0.00 N ATOM 0 H LYS A 4 7.095 -6.211 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 4 5.554 -8.566 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.502 -9.800 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.067 -8.339 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.710 -7.379 0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.080 -8.791 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.518 -8.968 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.782 -10.228 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.153 -8.841 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.921 -7.608 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.546 -9.045 -1.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.606 -9.218 -0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.862 -10.413 -1.187 1.00 0.00 H new ATOM 83 N SER A 5 5.331 -9.707 0.971 1.00 0.00 N ATOM 84 CA SER A 5 4.672 -10.215 2.190 1.00 0.00 C ATOM 85 C SER A 5 5.420 -9.780 3.467 1.00 0.00 C ATOM 86 O SER A 5 4.816 -9.268 4.418 1.00 0.00 O ATOM 87 CB SER A 5 4.617 -11.748 2.086 1.00 0.00 C ATOM 88 OG SER A 5 4.107 -12.136 0.823 1.00 0.00 O ATOM 0 H SER A 5 5.619 -10.450 0.334 1.00 0.00 H new ATOM 0 HA SER A 5 3.667 -9.799 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.614 -12.165 2.227 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.988 -12.151 2.880 1.00 0.00 H new ATOM 0 HG SER A 5 3.287 -12.658 0.948 1.00 0.00 H new ATOM 94 N GLU A 6 6.747 -9.967 3.446 1.00 0.00 N ATOM 95 CA GLU A 6 7.646 -9.564 4.537 1.00 0.00 C ATOM 96 C GLU A 6 7.652 -8.035 4.731 1.00 0.00 C ATOM 97 O GLU A 6 7.686 -7.534 5.859 1.00 0.00 O ATOM 98 CB GLU A 6 9.080 -10.038 4.226 1.00 0.00 C ATOM 99 CG GLU A 6 10.116 -9.654 5.299 1.00 0.00 C ATOM 100 CD GLU A 6 11.546 -10.016 4.906 1.00 0.00 C ATOM 101 OE1 GLU A 6 12.134 -9.280 4.084 1.00 0.00 O ATOM 102 OE2 GLU A 6 12.085 -11.020 5.416 1.00 0.00 O ATOM 0 H GLU A 6 7.231 -10.407 2.663 1.00 0.00 H new ATOM 0 HA GLU A 6 7.284 -10.025 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.076 -11.122 4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.391 -9.618 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.057 -8.582 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.865 -10.154 6.234 1.00 0.00 H new ATOM 109 N MET A 7 7.631 -7.305 3.610 1.00 0.00 N ATOM 110 CA MET A 7 7.701 -5.834 3.614 1.00 0.00 C ATOM 111 C MET A 7 6.400 -5.238 4.186 1.00 0.00 C ATOM 112 O MET A 7 6.403 -4.120 4.722 1.00 0.00 O ATOM 113 CB MET A 7 7.985 -5.305 2.182 1.00 0.00 C ATOM 114 CG MET A 7 8.385 -3.818 2.067 1.00 0.00 C ATOM 115 SD MET A 7 10.008 -3.440 2.772 1.00 0.00 S ATOM 116 CE MET A 7 9.624 -3.001 4.465 1.00 0.00 C ATOM 0 H MET A 7 7.565 -7.712 2.677 1.00 0.00 H new ATOM 0 HA MET A 7 8.523 -5.519 4.256 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.782 -5.908 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.094 -5.467 1.575 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.380 -3.531 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.632 -3.209 2.567 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.202 -2.123 4.753 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.560 -2.779 4.551 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.875 -3.833 5.123 1.00 0.00 H new ATOM 126 N PHE A 8 5.294 -6.019 4.105 1.00 0.00 N ATOM 127 CA PHE A 8 4.004 -5.616 4.662 1.00 0.00 C ATOM 128 C PHE A 8 4.024 -5.794 6.183 1.00 0.00 C ATOM 129 O PHE A 8 3.654 -4.874 6.900 1.00 0.00 O ATOM 130 CB PHE A 8 2.819 -6.412 4.041 1.00 0.00 C ATOM 131 CG PHE A 8 1.450 -5.937 4.558 1.00 0.00 C ATOM 132 CD1 PHE A 8 0.793 -4.866 3.950 1.00 0.00 C ATOM 133 CD2 PHE A 8 0.843 -6.529 5.677 1.00 0.00 C ATOM 134 CE1 PHE A 8 -0.417 -4.404 4.436 1.00 0.00 C ATOM 135 CE2 PHE A 8 -0.367 -6.065 6.157 1.00 0.00 C ATOM 136 CZ PHE A 8 -0.996 -5.002 5.536 1.00 0.00 C ATOM 0 H PHE A 8 5.283 -6.934 3.654 1.00 0.00 H new ATOM 0 HA PHE A 8 3.848 -4.566 4.414 1.00 0.00 H new ATOM 0 HB2 PHE A 8 2.848 -6.312 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.940 -7.472 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.236 -4.391 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.328 -7.359 6.170 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.910 -3.573 3.953 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.821 -6.533 7.018 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.941 -4.640 5.912 1.00 0.00 H new ATOM 146 N VAL A 9 4.467 -6.984 6.663 1.00 0.00 N ATOM 147 CA VAL A 9 4.427 -7.324 8.106 1.00 0.00 C ATOM 148 C VAL A 9 5.306 -6.372 8.935 1.00 0.00 C ATOM 149 O VAL A 9 4.901 -5.937 10.014 1.00 0.00 O ATOM 150 CB VAL A 9 4.823 -8.821 8.408 1.00 0.00 C ATOM 151 CG1 VAL A 9 3.915 -9.791 7.639 1.00 0.00 C ATOM 152 CG2 VAL A 9 6.314 -9.124 8.126 1.00 0.00 C ATOM 0 H VAL A 9 4.854 -7.721 6.073 1.00 0.00 H new ATOM 0 HA VAL A 9 3.386 -7.201 8.403 1.00 0.00 H new ATOM 0 HB VAL A 9 4.675 -8.969 9.478 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.207 -10.817 7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.879 -9.635 7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.014 -9.611 6.569 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.522 -10.169 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.532 -8.931 7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.939 -8.485 8.750 1.00 0.00 H new ATOM 162 N SER A 10 6.483 -6.025 8.379 1.00 0.00 N ATOM 163 CA SER A 10 7.425 -5.078 8.992 1.00 0.00 C ATOM 164 C SER A 10 6.754 -3.697 9.171 1.00 0.00 C ATOM 165 O SER A 10 6.776 -3.123 10.265 1.00 0.00 O ATOM 166 CB SER A 10 8.687 -4.963 8.112 1.00 0.00 C ATOM 167 OG SER A 10 9.277 -6.236 7.897 1.00 0.00 O ATOM 0 H SER A 10 6.806 -6.398 7.486 1.00 0.00 H new ATOM 0 HA SER A 10 7.715 -5.444 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.427 -4.513 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.408 -4.300 8.590 1.00 0.00 H new ATOM 0 HG SER A 10 8.780 -6.713 7.200 1.00 0.00 H new ATOM 173 N ALA A 11 6.090 -3.229 8.094 1.00 0.00 N ATOM 174 CA ALA A 11 5.379 -1.932 8.071 1.00 0.00 C ATOM 175 C ALA A 11 4.128 -1.945 8.975 1.00 0.00 C ATOM 176 O ALA A 11 3.781 -0.934 9.582 1.00 0.00 O ATOM 177 CB ALA A 11 4.992 -1.580 6.622 1.00 0.00 C ATOM 0 H ALA A 11 6.031 -3.740 7.213 1.00 0.00 H new ATOM 0 HA ALA A 11 6.053 -1.171 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.468 -0.624 6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.892 -1.510 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.341 -2.357 6.220 1.00 0.00 H new ATOM 183 N LEU A 12 3.489 -3.116 9.064 1.00 0.00 N ATOM 184 CA LEU A 12 2.245 -3.346 9.831 1.00 0.00 C ATOM 185 C LEU A 12 2.477 -3.138 11.332 1.00 0.00 C ATOM 186 O LEU A 12 1.659 -2.533 12.033 1.00 0.00 O ATOM 187 CB LEU A 12 1.750 -4.787 9.549 1.00 0.00 C ATOM 188 CG LEU A 12 0.536 -5.301 10.382 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.721 -4.447 10.151 1.00 0.00 C ATOM 190 CD2 LEU A 12 0.268 -6.785 10.082 1.00 0.00 C ATOM 0 H LEU A 12 3.826 -3.957 8.595 1.00 0.00 H new ATOM 0 HA LEU A 12 1.488 -2.627 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.487 -4.853 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.585 -5.469 9.713 1.00 0.00 H new ATOM 0 HG LEU A 12 0.792 -5.205 11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.543 -4.840 10.750 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.519 -3.416 10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.994 -4.479 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.582 -7.128 10.672 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.047 -6.908 9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.149 -7.373 10.340 1.00 0.00 H new ATOM 202 N ILE A 13 3.620 -3.639 11.792 1.00 0.00 N ATOM 203 CA ILE A 13 4.075 -3.501 13.178 1.00 0.00 C ATOM 204 C ILE A 13 4.351 -2.019 13.506 1.00 0.00 C ATOM 205 O ILE A 13 4.058 -1.547 14.601 1.00 0.00 O ATOM 206 CB ILE A 13 5.349 -4.404 13.383 1.00 0.00 C ATOM 207 CG1 ILE A 13 4.959 -5.911 13.164 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.015 -4.186 14.766 1.00 0.00 C ATOM 209 CD1 ILE A 13 6.111 -6.856 12.979 1.00 0.00 C ATOM 0 H ILE A 13 4.269 -4.162 11.204 1.00 0.00 H new ATOM 0 HA ILE A 13 3.300 -3.836 13.868 1.00 0.00 H new ATOM 0 HB ILE A 13 6.095 -4.113 12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.372 -6.244 14.020 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.313 -5.978 12.289 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.888 -4.832 14.855 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.323 -3.145 14.861 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.303 -4.427 15.555 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.732 -7.868 12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.689 -6.558 12.104 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.749 -6.829 13.862 1.00 0.00 H new ATOM 221 N ARG A 14 4.875 -1.279 12.524 1.00 0.00 N ATOM 222 CA ARG A 14 5.152 0.165 12.683 1.00 0.00 C ATOM 223 C ARG A 14 3.855 0.987 12.646 1.00 0.00 C ATOM 224 O ARG A 14 3.810 2.079 13.218 1.00 0.00 O ATOM 225 CB ARG A 14 6.201 0.661 11.645 1.00 0.00 C ATOM 226 CG ARG A 14 7.675 0.400 12.059 1.00 0.00 C ATOM 227 CD ARG A 14 7.963 -1.082 12.342 1.00 0.00 C ATOM 228 NE ARG A 14 9.278 -1.316 12.948 1.00 0.00 N ATOM 229 CZ ARG A 14 9.810 -2.530 13.167 1.00 0.00 C ATOM 230 NH1 ARG A 14 9.209 -3.629 12.711 1.00 0.00 N ATOM 231 NH2 ARG A 14 10.959 -2.627 13.813 1.00 0.00 N ATOM 0 H ARG A 14 5.119 -1.651 11.606 1.00 0.00 H new ATOM 0 HA ARG A 14 5.594 0.316 13.668 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.011 0.171 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 14 6.063 1.731 11.488 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.337 0.749 11.266 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.907 0.986 12.948 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.191 -1.474 13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.897 -1.642 11.409 1.00 0.00 H new ATOM 0 HE ARG A 14 9.826 -0.501 13.222 1.00 0.00 H new ATOM 0 HH11 ARG A 14 8.336 -3.554 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.623 -4.545 12.884 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.433 -1.785 14.140 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.372 -3.544 13.985 1.00 0.00 H new ATOM 245 N ARG A 15 2.806 0.454 11.981 1.00 0.00 N ATOM 246 CA ARG A 15 1.467 1.067 11.989 1.00 0.00 C ATOM 247 C ARG A 15 0.867 1.011 13.407 1.00 0.00 C ATOM 248 O ARG A 15 0.363 2.022 13.920 1.00 0.00 O ATOM 249 CB ARG A 15 0.502 0.356 11.001 1.00 0.00 C ATOM 250 CG ARG A 15 0.845 0.485 9.500 1.00 0.00 C ATOM 251 CD ARG A 15 -0.245 -0.151 8.603 1.00 0.00 C ATOM 252 NE ARG A 15 0.034 0.006 7.167 1.00 0.00 N ATOM 253 CZ ARG A 15 -0.880 -0.066 6.181 1.00 0.00 C ATOM 254 NH1 ARG A 15 -2.181 -0.222 6.456 1.00 0.00 N ATOM 255 NH2 ARG A 15 -0.483 0.050 4.920 1.00 0.00 N ATOM 0 H ARG A 15 2.866 -0.403 11.431 1.00 0.00 H new ATOM 0 HA ARG A 15 1.582 2.103 11.672 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.471 -0.703 11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.502 0.751 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.958 1.538 9.243 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.803 0.004 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.329 -1.212 8.838 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.209 0.303 8.833 1.00 0.00 H new ATOM 0 HE ARG A 15 1.001 0.184 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.493 -0.288 7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.860 -0.275 5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.504 0.192 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.165 -0.003 4.164 1.00 0.00 H new ATOM 269 N VAL A 16 0.933 -0.183 14.036 1.00 0.00 N ATOM 270 CA VAL A 16 0.298 -0.408 15.344 1.00 0.00 C ATOM 271 C VAL A 16 1.001 0.400 16.455 1.00 0.00 C ATOM 272 O VAL A 16 0.330 1.007 17.274 1.00 0.00 O ATOM 273 CB VAL A 16 0.192 -1.935 15.743 1.00 0.00 C ATOM 274 CG1 VAL A 16 -0.439 -2.784 14.614 1.00 0.00 C ATOM 275 CG2 VAL A 16 1.543 -2.519 16.170 1.00 0.00 C ATOM 0 H VAL A 16 1.417 -0.998 13.659 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.725 -0.048 15.240 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.472 -1.979 16.606 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.493 -3.826 14.929 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.443 -2.417 14.400 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.174 -2.708 13.716 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.418 -3.569 16.434 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.253 -2.434 15.347 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.920 -1.970 17.033 1.00 0.00 H new ATOM 285 N PHE A 17 2.355 0.432 16.440 1.00 0.00 N ATOM 286 CA PHE A 17 3.164 1.151 17.451 1.00 0.00 C ATOM 287 C PHE A 17 3.063 2.676 17.259 1.00 0.00 C ATOM 288 O PHE A 17 3.207 3.435 18.230 1.00 0.00 O ATOM 289 CB PHE A 17 4.647 0.669 17.436 1.00 0.00 C ATOM 290 CG PHE A 17 4.891 -0.645 18.193 1.00 0.00 C ATOM 291 CD1 PHE A 17 4.977 -0.653 19.586 1.00 0.00 C ATOM 292 CD2 PHE A 17 5.031 -1.861 17.527 1.00 0.00 C ATOM 293 CE1 PHE A 17 5.197 -1.827 20.280 1.00 0.00 C ATOM 294 CE2 PHE A 17 5.251 -3.035 18.224 1.00 0.00 C ATOM 295 CZ PHE A 17 5.333 -3.017 19.600 1.00 0.00 C ATOM 0 H PHE A 17 2.915 -0.038 15.729 1.00 0.00 H new ATOM 0 HA PHE A 17 2.756 0.916 18.434 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.966 0.543 16.401 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.274 1.447 17.871 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.870 0.274 20.130 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.967 -1.887 16.449 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.262 -1.812 21.358 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.359 -3.967 17.690 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.504 -3.934 20.144 1.00 0.00 H new ATOM 305 N ALA A 18 2.833 3.116 16.001 1.00 0.00 N ATOM 306 CA ALA A 18 2.534 4.532 15.693 1.00 0.00 C ATOM 307 C ALA A 18 1.222 4.960 16.377 1.00 0.00 C ATOM 308 O ALA A 18 1.126 6.061 16.927 1.00 0.00 O ATOM 309 CB ALA A 18 2.447 4.760 14.176 1.00 0.00 C ATOM 0 H ALA A 18 2.849 2.509 15.182 1.00 0.00 H new ATOM 0 HA ALA A 18 3.349 5.144 16.080 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.226 5.809 13.978 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.398 4.495 13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.655 4.138 13.759 1.00 0.00 H new ATOM 315 N ALA A 19 0.228 4.055 16.346 1.00 0.00 N ATOM 316 CA ALA A 19 -1.073 4.261 17.008 1.00 0.00 C ATOM 317 C ALA A 19 -0.935 4.138 18.543 1.00 0.00 C ATOM 318 O ALA A 19 -1.585 4.877 19.294 1.00 0.00 O ATOM 319 CB ALA A 19 -2.106 3.259 16.460 1.00 0.00 C ATOM 0 H ALA A 19 0.304 3.161 15.862 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.422 5.270 16.790 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.064 3.418 16.954 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.222 3.407 15.386 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.763 2.242 16.651 1.00 0.00 H new ATOM 325 N GLY A 20 -0.065 3.211 18.994 1.00 0.00 N ATOM 326 CA GLY A 20 0.154 2.938 20.426 1.00 0.00 C ATOM 327 C GLY A 20 0.148 1.442 20.760 1.00 0.00 C ATOM 328 O GLY A 20 0.666 1.042 21.807 1.00 0.00 O ATOM 0 H GLY A 20 0.504 2.633 18.376 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.108 3.368 20.730 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.621 3.437 21.008 1.00 0.00 H new ATOM 332 N GLY A 21 -0.437 0.626 19.863 1.00 0.00 N ATOM 333 CA GLY A 21 -0.587 -0.822 20.069 1.00 0.00 C ATOM 334 C GLY A 21 0.709 -1.622 19.886 1.00 0.00 C ATOM 335 O GLY A 21 1.759 -1.069 19.558 1.00 0.00 O ATOM 0 H GLY A 21 -0.818 0.955 18.976 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.969 -0.997 21.075 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.336 -1.201 19.373 1.00 0.00 H new ATOM 339 N PHE A 22 0.597 -2.944 20.068 1.00 0.00 N ATOM 340 CA PHE A 22 1.713 -3.908 20.024 1.00 0.00 C ATOM 341 C PHE A 22 1.579 -4.799 18.777 1.00 0.00 C ATOM 342 O PHE A 22 0.488 -4.925 18.219 1.00 0.00 O ATOM 343 CB PHE A 22 1.699 -4.764 21.329 1.00 0.00 C ATOM 344 CG PHE A 22 2.671 -5.949 21.339 1.00 0.00 C ATOM 345 CD1 PHE A 22 4.027 -5.758 21.594 1.00 0.00 C ATOM 346 CD2 PHE A 22 2.227 -7.251 21.075 1.00 0.00 C ATOM 347 CE1 PHE A 22 4.907 -6.823 21.584 1.00 0.00 C ATOM 348 CE2 PHE A 22 3.108 -8.314 21.067 1.00 0.00 C ATOM 349 CZ PHE A 22 4.447 -8.099 21.323 1.00 0.00 C ATOM 0 H PHE A 22 -0.301 -3.390 20.256 1.00 0.00 H new ATOM 0 HA PHE A 22 2.664 -3.379 19.962 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.933 -4.115 22.173 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.689 -5.141 21.487 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.395 -4.764 21.802 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.180 -7.426 20.875 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.956 -6.658 21.781 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.750 -9.312 20.861 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.137 -8.930 21.319 1.00 0.00 H new ATOM 359 N ALA A 23 2.712 -5.373 18.330 1.00 0.00 N ATOM 360 CA ALA A 23 2.759 -6.403 17.272 1.00 0.00 C ATOM 361 C ALA A 23 4.059 -7.205 17.363 1.00 0.00 C ATOM 362 O ALA A 23 5.024 -6.743 17.985 1.00 0.00 O ATOM 363 CB ALA A 23 2.622 -5.786 15.885 1.00 0.00 C ATOM 0 H ALA A 23 3.633 -5.132 18.697 1.00 0.00 H new ATOM 0 HA ALA A 23 1.914 -7.074 17.428 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.661 -6.573 15.131 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.669 -5.261 15.813 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.438 -5.083 15.718 1.00 0.00 H new ATOM 369 N ALA A 24 4.068 -8.403 16.733 1.00 0.00 N ATOM 370 CA ALA A 24 5.246 -9.288 16.683 1.00 0.00 C ATOM 371 C ALA A 24 5.028 -10.425 15.668 1.00 0.00 C ATOM 372 O ALA A 24 4.014 -11.130 15.734 1.00 0.00 O ATOM 373 CB ALA A 24 5.545 -9.868 18.081 1.00 0.00 C ATOM 0 H ALA A 24 3.255 -8.780 16.246 1.00 0.00 H new ATOM 0 HA ALA A 24 6.104 -8.698 16.361 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.418 -10.519 18.026 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.743 -9.054 18.778 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.686 -10.442 18.428 1.00 0.00 H new ATOM 379 N VAL A 25 5.974 -10.584 14.719 1.00 0.00 N ATOM 380 CA VAL A 25 5.982 -11.718 13.778 1.00 0.00 C ATOM 381 C VAL A 25 6.417 -12.999 14.524 1.00 0.00 C ATOM 382 O VAL A 25 7.583 -13.132 14.918 1.00 0.00 O ATOM 383 CB VAL A 25 6.933 -11.475 12.536 1.00 0.00 C ATOM 384 CG1 VAL A 25 7.011 -12.723 11.613 1.00 0.00 C ATOM 385 CG2 VAL A 25 6.485 -10.236 11.732 1.00 0.00 C ATOM 0 H VAL A 25 6.748 -9.933 14.586 1.00 0.00 H new ATOM 0 HA VAL A 25 4.970 -11.826 13.389 1.00 0.00 H new ATOM 0 HB VAL A 25 7.933 -11.292 12.929 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.674 -12.514 10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.399 -13.570 12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.015 -12.962 11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.155 -10.091 10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.468 -10.386 11.370 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.516 -9.355 12.374 1.00 0.00 H new ATOM 395 N GLU A 26 5.458 -13.896 14.759 1.00 0.00 N ATOM 396 CA GLU A 26 5.700 -15.212 15.366 1.00 0.00 C ATOM 397 C GLU A 26 6.113 -16.225 14.298 1.00 0.00 C ATOM 398 O GLU A 26 7.164 -16.864 14.399 1.00 0.00 O ATOM 399 CB GLU A 26 4.427 -15.694 16.105 1.00 0.00 C ATOM 400 CG GLU A 26 3.941 -14.727 17.190 1.00 0.00 C ATOM 401 CD GLU A 26 5.024 -14.409 18.240 1.00 0.00 C ATOM 402 OE1 GLU A 26 5.320 -15.278 19.089 1.00 0.00 O ATOM 403 OE2 GLU A 26 5.597 -13.297 18.219 1.00 0.00 O ATOM 0 H GLU A 26 4.478 -13.730 14.531 1.00 0.00 H new ATOM 0 HA GLU A 26 6.513 -15.123 16.086 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.629 -15.840 15.377 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.627 -16.665 16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.613 -13.799 16.722 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.073 -15.156 17.690 1.00 0.00 H new ATOM 410 N LYS A 27 5.260 -16.379 13.276 1.00 0.00 N ATOM 411 CA LYS A 27 5.496 -17.317 12.169 1.00 0.00 C ATOM 412 C LYS A 27 5.997 -16.553 10.943 1.00 0.00 C ATOM 413 O LYS A 27 5.515 -15.456 10.649 1.00 0.00 O ATOM 414 CB LYS A 27 4.200 -18.105 11.843 1.00 0.00 C ATOM 415 CG LYS A 27 4.334 -19.103 10.673 1.00 0.00 C ATOM 416 CD LYS A 27 3.090 -20.000 10.481 1.00 0.00 C ATOM 417 CE LYS A 27 3.211 -20.926 9.256 1.00 0.00 C ATOM 418 NZ LYS A 27 4.387 -21.825 9.343 1.00 0.00 N ATOM 0 H LYS A 27 4.387 -15.857 13.193 1.00 0.00 H new ATOM 0 HA LYS A 27 6.259 -18.037 12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.887 -18.649 12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.407 -17.395 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.518 -18.549 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.205 -19.736 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.941 -20.605 11.376 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.207 -19.371 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.305 -21.525 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.285 -20.321 8.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.370 -22.497 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.259 -21.260 9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.357 -22.349 10.241 1.00 0.00 H new ATOM 432 N LYS A 28 6.958 -17.157 10.238 1.00 0.00 N ATOM 433 CA LYS A 28 7.592 -16.586 9.048 1.00 0.00 C ATOM 434 C LYS A 28 7.592 -17.632 7.928 1.00 0.00 C ATOM 435 O LYS A 28 8.069 -18.758 8.125 1.00 0.00 O ATOM 436 CB LYS A 28 9.042 -16.127 9.385 1.00 0.00 C ATOM 437 CG LYS A 28 9.876 -15.705 8.151 1.00 0.00 C ATOM 438 CD LYS A 28 11.230 -15.055 8.512 1.00 0.00 C ATOM 439 CE LYS A 28 12.016 -14.588 7.270 1.00 0.00 C ATOM 440 NZ LYS A 28 13.276 -13.907 7.643 1.00 0.00 N ATOM 0 H LYS A 28 7.324 -18.076 10.485 1.00 0.00 H new ATOM 0 HA LYS A 28 7.033 -15.712 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.994 -15.289 10.081 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.558 -16.938 9.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.058 -16.581 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.294 -15.004 7.552 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.056 -14.202 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.834 -15.770 9.071 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.240 -15.447 6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.397 -13.911 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.777 -13.607 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.061 -13.073 8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.877 -14.561 8.183 1.00 0.00 H new ATOM 454 N GLY A 29 7.046 -17.255 6.765 1.00 0.00 N ATOM 455 CA GLY A 29 7.043 -18.105 5.576 1.00 0.00 C ATOM 456 C GLY A 29 7.720 -17.420 4.403 1.00 0.00 C ATOM 457 O GLY A 29 8.804 -16.849 4.571 1.00 0.00 O ATOM 0 H GLY A 29 6.595 -16.351 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.554 -19.042 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.016 -18.356 5.309 1.00 0.00 H new ATOM 461 N ALA A 30 7.076 -17.460 3.220 1.00 0.00 N ATOM 462 CA ALA A 30 7.630 -16.897 1.978 1.00 0.00 C ATOM 463 C ALA A 30 7.635 -15.354 2.034 1.00 0.00 C ATOM 464 O ALA A 30 6.589 -14.731 2.220 1.00 0.00 O ATOM 465 CB ALA A 30 6.830 -17.413 0.770 1.00 0.00 C ATOM 0 H ALA A 30 6.156 -17.885 3.101 1.00 0.00 H new ATOM 0 HA ALA A 30 8.664 -17.223 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.244 -16.993 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.891 -18.501 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.787 -17.111 0.868 1.00 0.00 H new ATOM 471 N GLU A 31 8.826 -14.761 1.886 1.00 0.00 N ATOM 472 CA GLU A 31 9.036 -13.306 2.007 1.00 0.00 C ATOM 473 C GLU A 31 8.325 -12.542 0.878 1.00 0.00 C ATOM 474 O GLU A 31 7.688 -11.523 1.119 1.00 0.00 O ATOM 475 CB GLU A 31 10.555 -13.005 1.988 1.00 0.00 C ATOM 476 CG GLU A 31 11.344 -13.709 3.113 1.00 0.00 C ATOM 477 CD GLU A 31 12.866 -13.668 2.896 1.00 0.00 C ATOM 478 OE1 GLU A 31 13.395 -14.564 2.203 1.00 0.00 O ATOM 479 OE2 GLU A 31 13.542 -12.744 3.389 1.00 0.00 O ATOM 0 H GLU A 31 9.680 -15.278 1.677 1.00 0.00 H new ATOM 0 HA GLU A 31 8.608 -12.970 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.964 -13.309 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.704 -11.928 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.106 -13.237 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.020 -14.748 3.181 1.00 0.00 H new ATOM 486 N ALA A 32 8.453 -13.058 -0.348 1.00 0.00 N ATOM 487 CA ALA A 32 7.901 -12.430 -1.558 1.00 0.00 C ATOM 488 C ALA A 32 6.381 -12.680 -1.701 1.00 0.00 C ATOM 489 O ALA A 32 5.594 -11.727 -1.778 1.00 0.00 O ATOM 490 CB ALA A 32 8.660 -12.933 -2.802 1.00 0.00 C ATOM 0 H ALA A 32 8.947 -13.931 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 32 8.036 -11.352 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.246 -12.464 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.715 -12.676 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.556 -14.015 -2.879 1.00 0.00 H new ATOM 496 N ALA A 33 5.988 -13.969 -1.726 1.00 0.00 N ATOM 497 CA ALA A 33 4.625 -14.407 -2.121 1.00 0.00 C ATOM 498 C ALA A 33 3.882 -15.165 -0.997 1.00 0.00 C ATOM 499 O ALA A 33 2.974 -15.964 -1.282 1.00 0.00 O ATOM 500 CB ALA A 33 4.743 -15.281 -3.389 1.00 0.00 C ATOM 0 H ALA A 33 6.605 -14.741 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 33 4.026 -13.519 -2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.751 -15.613 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.195 -14.698 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.367 -16.149 -3.176 1.00 0.00 H new ATOM 506 N GLY A 34 4.235 -14.886 0.270 1.00 0.00 N ATOM 507 CA GLY A 34 3.621 -15.563 1.425 1.00 0.00 C ATOM 508 C GLY A 34 2.275 -14.974 1.835 1.00 0.00 C ATOM 509 O GLY A 34 1.984 -13.802 1.564 1.00 0.00 O ATOM 0 H GLY A 34 4.943 -14.196 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.489 -16.619 1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.305 -15.509 2.272 1.00 0.00 H new ATOM 513 N ALA A 35 1.436 -15.804 2.473 1.00 0.00 N ATOM 514 CA ALA A 35 0.163 -15.360 3.062 1.00 0.00 C ATOM 515 C ALA A 35 0.453 -14.657 4.400 1.00 0.00 C ATOM 516 O ALA A 35 1.484 -14.903 5.011 1.00 0.00 O ATOM 517 CB ALA A 35 -0.787 -16.560 3.238 1.00 0.00 C ATOM 0 H ALA A 35 1.620 -16.800 2.595 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.334 -14.651 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.726 -16.220 3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.982 -17.015 2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.326 -17.296 3.897 1.00 0.00 H new ATOM 523 N ILE A 36 -0.424 -13.740 4.824 1.00 0.00 N ATOM 524 CA ILE A 36 -0.252 -12.975 6.076 1.00 0.00 C ATOM 525 C ILE A 36 -1.539 -13.092 6.917 1.00 0.00 C ATOM 526 O ILE A 36 -2.587 -12.576 6.519 1.00 0.00 O ATOM 527 CB ILE A 36 0.044 -11.444 5.814 1.00 0.00 C ATOM 528 CG1 ILE A 36 1.164 -11.218 4.745 1.00 0.00 C ATOM 529 CG2 ILE A 36 0.392 -10.718 7.141 1.00 0.00 C ATOM 530 CD1 ILE A 36 2.516 -11.805 5.094 1.00 0.00 C ATOM 0 H ILE A 36 -1.274 -13.503 4.313 1.00 0.00 H new ATOM 0 HA ILE A 36 0.606 -13.395 6.601 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.869 -11.012 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.833 -11.646 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.281 -10.146 4.586 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.592 -9.666 6.938 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.447 -10.801 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.275 -11.176 7.586 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.222 -11.595 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.878 -11.360 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.422 -12.883 5.222 1.00 0.00 H new ATOM 542 N PHE A 37 -1.453 -13.801 8.050 1.00 0.00 N ATOM 543 CA PHE A 37 -2.554 -13.942 9.010 1.00 0.00 C ATOM 544 C PHE A 37 -2.208 -13.179 10.292 1.00 0.00 C ATOM 545 O PHE A 37 -1.272 -13.526 11.012 1.00 0.00 O ATOM 546 CB PHE A 37 -2.836 -15.440 9.292 1.00 0.00 C ATOM 547 CG PHE A 37 -3.481 -16.143 8.103 1.00 0.00 C ATOM 548 CD1 PHE A 37 -2.712 -16.573 7.023 1.00 0.00 C ATOM 549 CD2 PHE A 37 -4.857 -16.337 8.049 1.00 0.00 C ATOM 550 CE1 PHE A 37 -3.298 -17.173 5.930 1.00 0.00 C ATOM 551 CE2 PHE A 37 -5.438 -16.940 6.958 1.00 0.00 C ATOM 552 CZ PHE A 37 -4.660 -17.357 5.898 1.00 0.00 C ATOM 0 H PHE A 37 -0.607 -14.298 8.328 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.465 -13.515 8.591 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.902 -15.942 9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -3.489 -15.527 10.160 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.641 -16.434 7.043 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.476 -16.011 8.872 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.689 -17.498 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.508 -17.088 6.931 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.121 -17.828 5.043 1.00 0.00 H new ATOM 562 N VAL A 38 -2.981 -12.121 10.548 1.00 0.00 N ATOM 563 CA VAL A 38 -2.756 -11.190 11.660 1.00 0.00 C ATOM 564 C VAL A 38 -3.860 -11.396 12.699 1.00 0.00 C ATOM 565 O VAL A 38 -5.031 -11.408 12.345 1.00 0.00 O ATOM 566 CB VAL A 38 -2.774 -9.706 11.139 1.00 0.00 C ATOM 567 CG1 VAL A 38 -2.390 -8.709 12.252 1.00 0.00 C ATOM 568 CG2 VAL A 38 -1.850 -9.541 9.916 1.00 0.00 C ATOM 0 H VAL A 38 -3.794 -11.882 9.980 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.782 -11.382 12.110 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.795 -9.480 10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.413 -7.694 11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.099 -8.793 13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.386 -8.935 12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.880 -8.506 9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.829 -9.802 10.194 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.187 -10.198 9.114 1.00 0.00 H new ATOM 578 N ARG A 39 -3.496 -11.578 13.973 1.00 0.00 N ATOM 579 CA ARG A 39 -4.479 -11.830 15.047 1.00 0.00 C ATOM 580 C ARG A 39 -4.504 -10.652 16.033 1.00 0.00 C ATOM 581 O ARG A 39 -3.493 -10.302 16.636 1.00 0.00 O ATOM 582 CB ARG A 39 -4.199 -13.202 15.731 1.00 0.00 C ATOM 583 CG ARG A 39 -2.761 -13.425 16.284 1.00 0.00 C ATOM 584 CD ARG A 39 -2.677 -13.387 17.822 1.00 0.00 C ATOM 585 NE ARG A 39 -3.401 -14.490 18.459 1.00 0.00 N ATOM 586 CZ ARG A 39 -2.927 -15.280 19.431 1.00 0.00 C ATOM 587 NH1 ARG A 39 -1.654 -15.200 19.829 1.00 0.00 N ATOM 588 NH2 ARG A 39 -3.738 -16.145 20.006 1.00 0.00 N ATOM 0 H ARG A 39 -2.527 -11.556 14.292 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.479 -11.899 14.620 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.903 -13.322 16.554 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.413 -13.992 15.011 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.391 -14.388 15.932 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.101 -12.661 15.874 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.631 -13.423 18.125 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.080 -12.440 18.180 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.350 -14.672 18.133 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.024 -14.528 19.391 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.312 -15.811 20.571 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.712 -16.206 19.709 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.392 -16.754 20.748 1.00 0.00 H new ATOM 602 N GLN A 40 -5.686 -10.031 16.131 1.00 0.00 N ATOM 603 CA GLN A 40 -5.974 -8.861 16.977 1.00 0.00 C ATOM 604 C GLN A 40 -6.262 -9.284 18.419 1.00 0.00 C ATOM 605 O GLN A 40 -6.806 -10.355 18.644 1.00 0.00 O ATOM 606 CB GLN A 40 -7.201 -8.131 16.364 1.00 0.00 C ATOM 607 CG GLN A 40 -7.928 -7.071 17.218 1.00 0.00 C ATOM 608 CD GLN A 40 -7.121 -5.811 17.535 1.00 0.00 C ATOM 609 OE1 GLN A 40 -5.903 -5.848 17.701 1.00 0.00 O ATOM 610 NE2 GLN A 40 -7.805 -4.677 17.600 1.00 0.00 N ATOM 0 H GLN A 40 -6.502 -10.340 15.603 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.110 -8.197 17.007 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.874 -7.648 15.443 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -7.932 -8.889 16.083 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.840 -6.776 16.699 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -8.231 -7.533 18.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.815 -4.682 17.457 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.321 -3.800 17.793 1.00 0.00 H new ATOM 619 N ARG A 41 -5.877 -8.434 19.385 1.00 0.00 N ATOM 620 CA ARG A 41 -6.211 -8.611 20.806 1.00 0.00 C ATOM 621 C ARG A 41 -6.778 -7.294 21.364 1.00 0.00 C ATOM 622 O ARG A 41 -6.119 -6.255 21.285 1.00 0.00 O ATOM 623 CB ARG A 41 -4.953 -9.047 21.581 1.00 0.00 C ATOM 624 CG ARG A 41 -5.213 -9.470 23.043 1.00 0.00 C ATOM 625 CD ARG A 41 -3.939 -10.007 23.718 1.00 0.00 C ATOM 626 NE ARG A 41 -3.310 -11.087 22.917 1.00 0.00 N ATOM 627 CZ ARG A 41 -3.720 -12.373 22.862 1.00 0.00 C ATOM 628 NH1 ARG A 41 -4.722 -12.809 23.613 1.00 0.00 N ATOM 629 NH2 ARG A 41 -3.120 -13.219 22.036 1.00 0.00 N ATOM 0 H ARG A 41 -5.321 -7.599 19.199 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.967 -9.388 20.919 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.487 -9.879 21.053 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.236 -8.226 21.576 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.591 -8.617 23.606 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.988 -10.236 23.067 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.228 -9.192 23.854 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.184 -10.385 24.711 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.495 -10.835 22.358 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.199 -12.169 24.248 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.015 -13.784 23.556 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.353 -12.898 21.446 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.426 -14.191 21.991 1.00 0.00 H new ATOM 643 N LEU A 42 -8.000 -7.356 21.917 1.00 0.00 N ATOM 644 CA LEU A 42 -8.735 -6.180 22.439 1.00 0.00 C ATOM 645 C LEU A 42 -8.485 -5.986 23.950 1.00 0.00 C ATOM 646 O LEU A 42 -7.963 -6.883 24.632 1.00 0.00 O ATOM 647 CB LEU A 42 -10.275 -6.341 22.192 1.00 0.00 C ATOM 648 CG LEU A 42 -10.785 -6.369 20.712 1.00 0.00 C ATOM 649 CD1 LEU A 42 -10.283 -5.153 19.915 1.00 0.00 C ATOM 650 CD2 LEU A 42 -10.448 -7.696 20.002 1.00 0.00 C ATOM 0 H LEU A 42 -8.515 -8.230 22.018 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.366 -5.304 21.906 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.595 -7.266 22.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.782 -5.523 22.704 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.872 -6.304 20.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.658 -5.208 18.893 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.642 -4.237 20.384 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.193 -5.151 19.902 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.822 -7.666 18.979 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.367 -7.838 19.989 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.916 -8.523 20.536 1.00 0.00 H new ATOM 662 N ARG A 43 -8.902 -4.806 24.460 1.00 0.00 N ATOM 663 CA ARG A 43 -8.944 -4.511 25.913 1.00 0.00 C ATOM 664 C ARG A 43 -9.988 -5.409 26.605 1.00 0.00 C ATOM 665 O ARG A 43 -9.866 -5.731 27.789 1.00 0.00 O ATOM 666 CB ARG A 43 -9.292 -3.015 26.168 1.00 0.00 C ATOM 667 CG ARG A 43 -10.685 -2.578 25.641 1.00 0.00 C ATOM 668 CD ARG A 43 -11.047 -1.125 26.002 1.00 0.00 C ATOM 669 NE ARG A 43 -11.254 -0.908 27.447 1.00 0.00 N ATOM 670 CZ ARG A 43 -11.317 0.298 28.038 1.00 0.00 C ATOM 671 NH1 ARG A 43 -11.074 1.414 27.354 1.00 0.00 N ATOM 672 NH2 ARG A 43 -11.598 0.383 29.325 1.00 0.00 N ATOM 0 H ARG A 43 -9.219 -4.031 23.878 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.957 -4.714 26.328 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.247 -2.822 27.240 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.529 -2.393 25.700 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.707 -2.692 24.557 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.445 -3.246 26.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.253 -0.465 25.654 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.954 -0.842 25.467 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.357 -1.732 28.040 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.835 1.363 26.364 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.127 2.320 27.820 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.766 -0.464 29.867 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.647 1.296 29.777 1.00 0.00 H new ATOM 686 N ASP A 44 -11.007 -5.804 25.824 1.00 0.00 N ATOM 687 CA ASP A 44 -12.108 -6.690 26.249 1.00 0.00 C ATOM 688 C ASP A 44 -11.594 -8.070 26.700 1.00 0.00 C ATOM 689 O ASP A 44 -12.267 -8.770 27.466 1.00 0.00 O ATOM 690 CB ASP A 44 -13.090 -6.893 25.062 1.00 0.00 C ATOM 691 CG ASP A 44 -13.667 -5.588 24.487 1.00 0.00 C ATOM 692 OD1 ASP A 44 -12.908 -4.806 23.867 1.00 0.00 O ATOM 693 OD2 ASP A 44 -14.880 -5.342 24.633 1.00 0.00 O ATOM 0 H ASP A 44 -11.092 -5.508 24.851 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.607 -6.215 27.094 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.574 -7.430 24.266 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.914 -7.527 25.391 1.00 0.00 H new ATOM 698 N GLY A 45 -10.401 -8.441 26.203 1.00 0.00 N ATOM 699 CA GLY A 45 -9.854 -9.779 26.379 1.00 0.00 C ATOM 700 C GLY A 45 -10.355 -10.727 25.303 1.00 0.00 C ATOM 701 O GLY A 45 -10.349 -11.940 25.493 1.00 0.00 O ATOM 0 H GLY A 45 -9.797 -7.815 25.670 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.765 -9.736 26.350 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.132 -10.161 27.361 1.00 0.00 H new ATOM 705 N ARG A 46 -10.825 -10.152 24.178 1.00 0.00 N ATOM 706 CA ARG A 46 -11.288 -10.906 22.995 1.00 0.00 C ATOM 707 C ARG A 46 -10.229 -10.803 21.900 1.00 0.00 C ATOM 708 O ARG A 46 -9.215 -10.108 22.071 1.00 0.00 O ATOM 709 CB ARG A 46 -12.649 -10.343 22.485 1.00 0.00 C ATOM 710 CG ARG A 46 -13.720 -10.164 23.582 1.00 0.00 C ATOM 711 CD ARG A 46 -13.977 -11.443 24.391 1.00 0.00 C ATOM 712 NE ARG A 46 -14.854 -11.199 25.547 1.00 0.00 N ATOM 713 CZ ARG A 46 -15.011 -12.021 26.594 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.406 -13.206 26.633 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.790 -11.652 27.600 1.00 0.00 N ATOM 0 H ARG A 46 -10.895 -9.141 24.064 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.437 -11.951 23.266 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.473 -9.380 22.007 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.040 -11.012 21.719 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.407 -9.370 24.260 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.653 -9.840 23.121 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.430 -12.195 23.745 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.027 -11.850 24.737 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.388 -10.330 25.552 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.812 -13.501 25.858 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.537 -13.819 27.438 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.264 -10.749 27.573 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.916 -12.271 28.401 1.00 0.00 H new ATOM 729 N GLU A 47 -10.481 -11.476 20.771 1.00 0.00 N ATOM 730 CA GLU A 47 -9.562 -11.510 19.630 1.00 0.00 C ATOM 731 C GLU A 47 -10.317 -11.461 18.297 1.00 0.00 C ATOM 732 O GLU A 47 -11.531 -11.651 18.237 1.00 0.00 O ATOM 733 CB GLU A 47 -8.638 -12.766 19.680 1.00 0.00 C ATOM 734 CG GLU A 47 -7.544 -12.726 20.781 1.00 0.00 C ATOM 735 CD GLU A 47 -6.349 -13.633 20.468 1.00 0.00 C ATOM 736 OE1 GLU A 47 -5.839 -13.548 19.339 1.00 0.00 O ATOM 737 OE2 GLU A 47 -5.903 -14.408 21.342 1.00 0.00 O ATOM 0 H GLU A 47 -11.334 -12.015 20.624 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.936 -10.620 19.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.257 -13.649 19.835 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.154 -12.882 18.710 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.194 -11.701 20.901 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.982 -13.027 21.733 1.00 0.00 H new ATOM 744 N ASN A 48 -9.557 -11.150 17.243 1.00 0.00 N ATOM 745 CA ASN A 48 -9.983 -11.266 15.835 1.00 0.00 C ATOM 746 C ASN A 48 -8.838 -11.938 15.066 1.00 0.00 C ATOM 747 O ASN A 48 -7.712 -12.027 15.571 1.00 0.00 O ATOM 748 CB ASN A 48 -10.294 -9.875 15.192 1.00 0.00 C ATOM 749 CG ASN A 48 -11.430 -9.089 15.855 1.00 0.00 C ATOM 750 OD1 ASN A 48 -12.554 -9.051 15.378 1.00 0.00 O ATOM 751 ND2 ASN A 48 -11.138 -8.461 16.971 1.00 0.00 N ATOM 0 H ASN A 48 -8.604 -10.801 17.342 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.903 -11.849 15.789 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.389 -9.269 15.221 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.543 -10.026 14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.857 -7.927 17.459 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.192 -8.507 17.350 1.00 0.00 H new ATOM 758 N LEU A 49 -9.124 -12.423 13.862 1.00 0.00 N ATOM 759 CA LEU A 49 -8.119 -13.008 12.963 1.00 0.00 C ATOM 760 C LEU A 49 -8.341 -12.430 11.588 1.00 0.00 C ATOM 761 O LEU A 49 -9.480 -12.152 11.218 1.00 0.00 O ATOM 762 CB LEU A 49 -8.206 -14.550 12.938 1.00 0.00 C ATOM 763 CG LEU A 49 -7.041 -15.323 12.226 1.00 0.00 C ATOM 764 CD1 LEU A 49 -5.644 -14.776 12.607 1.00 0.00 C ATOM 765 CD2 LEU A 49 -7.130 -16.831 12.535 1.00 0.00 C ATOM 0 H LEU A 49 -10.067 -12.424 13.474 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.119 -12.763 13.320 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.265 -14.902 13.968 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.142 -14.828 12.453 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.163 -15.166 11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.875 -15.347 12.086 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.573 -13.727 12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.498 -14.869 13.683 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.315 -17.354 12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.054 -16.987 13.611 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.084 -17.220 12.179 1.00 0.00 H new ATOM 777 N TYR A 50 -7.252 -12.190 10.870 1.00 0.00 N ATOM 778 CA TYR A 50 -7.261 -11.568 9.547 1.00 0.00 C ATOM 779 C TYR A 50 -6.443 -12.430 8.589 1.00 0.00 C ATOM 780 O TYR A 50 -5.630 -13.249 9.027 1.00 0.00 O ATOM 781 CB TYR A 50 -6.690 -10.122 9.640 1.00 0.00 C ATOM 782 CG TYR A 50 -7.353 -9.288 10.755 1.00 0.00 C ATOM 783 CD1 TYR A 50 -8.719 -9.010 10.725 1.00 0.00 C ATOM 784 CD2 TYR A 50 -6.624 -8.824 11.849 1.00 0.00 C ATOM 785 CE1 TYR A 50 -9.326 -8.298 11.734 1.00 0.00 C ATOM 786 CE2 TYR A 50 -7.228 -8.109 12.850 1.00 0.00 C ATOM 787 CZ TYR A 50 -8.579 -7.849 12.791 1.00 0.00 C ATOM 788 OH TYR A 50 -9.186 -7.129 13.798 1.00 0.00 O ATOM 0 H TYR A 50 -6.315 -12.427 11.196 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.281 -11.499 9.169 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.616 -10.171 9.819 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.831 -9.619 8.684 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -9.312 -9.360 9.893 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.566 -9.031 11.909 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -10.386 -8.094 11.693 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.645 -7.750 13.685 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.120 -7.414 13.887 1.00 0.00 H new ATOM 798 N GLY A 51 -6.689 -12.252 7.296 1.00 0.00 N ATOM 799 CA GLY A 51 -5.976 -12.967 6.243 1.00 0.00 C ATOM 800 C GLY A 51 -5.948 -12.149 4.968 1.00 0.00 C ATOM 801 O GLY A 51 -6.597 -11.101 4.910 1.00 0.00 O ATOM 0 H GLY A 51 -7.394 -11.603 6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.957 -13.181 6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.459 -13.926 6.056 1.00 0.00 H new ATOM 805 N PRO A 52 -5.200 -12.575 3.914 1.00 0.00 N ATOM 806 CA PRO A 52 -5.186 -11.867 2.620 1.00 0.00 C ATOM 807 C PRO A 52 -6.508 -12.105 1.865 1.00 0.00 C ATOM 808 O PRO A 52 -6.844 -13.255 1.560 1.00 0.00 O ATOM 809 CB PRO A 52 -3.965 -12.488 1.866 1.00 0.00 C ATOM 810 CG PRO A 52 -3.270 -13.359 2.877 1.00 0.00 C ATOM 811 CD PRO A 52 -4.321 -13.764 3.884 1.00 0.00 C ATOM 0 HA PRO A 52 -5.095 -10.785 2.720 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.291 -13.070 1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.298 -11.711 1.492 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.832 -14.235 2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.456 -12.819 3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.859 -14.660 3.573 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.888 -13.975 4.862 1.00 0.00 H new ATOM 819 N ALA A 53 -7.273 -11.028 1.599 1.00 0.00 N ATOM 820 CA ALA A 53 -8.510 -11.127 0.804 1.00 0.00 C ATOM 821 C ALA A 53 -8.153 -11.496 -0.654 1.00 0.00 C ATOM 822 O ALA A 53 -7.101 -11.053 -1.155 1.00 0.00 O ATOM 823 CB ALA A 53 -9.316 -9.816 0.863 1.00 0.00 C ATOM 0 H ALA A 53 -7.057 -10.085 1.922 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.140 -11.910 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.223 -9.919 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.584 -9.600 1.897 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.712 -9.000 0.466 1.00 0.00 H new ATOM 829 N PRO A 54 -8.998 -12.332 -1.349 1.00 0.00 N ATOM 830 CA PRO A 54 -8.743 -12.737 -2.748 1.00 0.00 C ATOM 831 C PRO A 54 -8.759 -11.505 -3.680 1.00 0.00 C ATOM 832 O PRO A 54 -9.823 -10.936 -3.962 1.00 0.00 O ATOM 833 CB PRO A 54 -9.880 -13.760 -3.060 1.00 0.00 C ATOM 834 CG PRO A 54 -10.961 -13.450 -2.068 1.00 0.00 C ATOM 835 CD PRO A 54 -10.256 -12.942 -0.824 1.00 0.00 C ATOM 0 HA PRO A 54 -7.761 -13.185 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.240 -13.651 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.528 -14.786 -2.953 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.647 -12.700 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.553 -14.338 -1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.863 -12.210 -0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.046 -13.751 -0.125 1.00 0.00 H new ATOM 843 N GLN A 55 -7.539 -11.082 -4.086 1.00 0.00 N ATOM 844 CA GLN A 55 -7.297 -9.855 -4.865 1.00 0.00 C ATOM 845 C GLN A 55 -8.149 -9.838 -6.146 1.00 0.00 C ATOM 846 O GLN A 55 -8.080 -10.769 -6.953 1.00 0.00 O ATOM 847 CB GLN A 55 -5.778 -9.737 -5.211 1.00 0.00 C ATOM 848 CG GLN A 55 -5.353 -8.493 -6.042 1.00 0.00 C ATOM 849 CD GLN A 55 -5.439 -7.145 -5.297 1.00 0.00 C ATOM 850 OE1 GLN A 55 -6.264 -6.945 -4.405 1.00 0.00 O ATOM 851 NE2 GLN A 55 -4.570 -6.207 -5.651 1.00 0.00 N ATOM 0 H GLN A 55 -6.684 -11.596 -3.875 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.590 -8.996 -4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.214 -9.734 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.482 -10.631 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.328 -8.637 -6.383 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.980 -8.439 -6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.894 -6.392 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.578 -5.301 -5.182 1.00 0.00 H new ATOM 860 N SER A 56 -8.981 -8.797 -6.292 1.00 0.00 N ATOM 861 CA SER A 56 -9.776 -8.574 -7.499 1.00 0.00 C ATOM 862 C SER A 56 -8.852 -8.020 -8.596 1.00 0.00 C ATOM 863 O SER A 56 -8.643 -6.808 -8.694 1.00 0.00 O ATOM 864 CB SER A 56 -10.955 -7.613 -7.190 1.00 0.00 C ATOM 865 OG SER A 56 -11.807 -7.450 -8.310 1.00 0.00 O ATOM 0 H SER A 56 -9.119 -8.087 -5.573 1.00 0.00 H new ATOM 0 HA SER A 56 -10.211 -9.509 -7.851 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.530 -8.001 -6.349 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.563 -6.642 -6.887 1.00 0.00 H new ATOM 0 HG SER A 56 -12.538 -6.840 -8.079 1.00 0.00 H new ATOM 871 N PHE A 57 -8.232 -8.934 -9.361 1.00 0.00 N ATOM 872 CA PHE A 57 -7.306 -8.579 -10.455 1.00 0.00 C ATOM 873 C PHE A 57 -7.822 -9.118 -11.793 1.00 0.00 C ATOM 874 O PHE A 57 -8.639 -10.044 -11.833 1.00 0.00 O ATOM 875 CB PHE A 57 -5.862 -9.096 -10.162 1.00 0.00 C ATOM 876 CG PHE A 57 -5.679 -10.620 -10.074 1.00 0.00 C ATOM 877 CD1 PHE A 57 -5.410 -11.388 -11.211 1.00 0.00 C ATOM 878 CD2 PHE A 57 -5.747 -11.276 -8.847 1.00 0.00 C ATOM 879 CE1 PHE A 57 -5.225 -12.752 -11.118 1.00 0.00 C ATOM 880 CE2 PHE A 57 -5.563 -12.643 -8.755 1.00 0.00 C ATOM 881 CZ PHE A 57 -5.304 -13.381 -9.891 1.00 0.00 C ATOM 0 H PHE A 57 -8.357 -9.939 -9.240 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.260 -7.492 -10.520 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.201 -8.718 -10.942 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.528 -8.658 -9.221 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.346 -10.907 -12.176 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.947 -10.706 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.018 -13.329 -12.007 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.622 -13.133 -7.794 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.163 -14.449 -9.821 1.00 0.00 H new ATOM 891 N ALA A 58 -7.319 -8.530 -12.879 1.00 0.00 N ATOM 892 CA ALA A 58 -7.635 -8.923 -14.252 1.00 0.00 C ATOM 893 C ALA A 58 -6.360 -8.839 -15.101 1.00 0.00 C ATOM 894 O ALA A 58 -5.560 -7.903 -14.929 1.00 0.00 O ATOM 895 CB ALA A 58 -8.739 -8.023 -14.821 1.00 0.00 C ATOM 0 H ALA A 58 -6.665 -7.749 -12.827 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.004 -9.949 -14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.965 -8.326 -15.843 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.636 -8.116 -14.209 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.402 -6.986 -14.816 1.00 0.00 H new ATOM 901 N ASP A 59 -6.162 -9.859 -15.967 1.00 0.00 N ATOM 902 CA ASP A 59 -5.012 -9.970 -16.898 1.00 0.00 C ATOM 903 C ASP A 59 -3.665 -10.099 -16.118 1.00 0.00 C ATOM 904 O ASP A 59 -2.580 -9.935 -16.690 1.00 0.00 O ATOM 905 CB ASP A 59 -5.016 -8.758 -17.893 1.00 0.00 C ATOM 906 CG ASP A 59 -4.136 -8.954 -19.142 1.00 0.00 C ATOM 907 OD1 ASP A 59 -4.488 -9.792 -19.994 1.00 0.00 O ATOM 908 OD2 ASP A 59 -3.106 -8.266 -19.298 1.00 0.00 O ATOM 0 H ASP A 59 -6.809 -10.644 -16.041 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.113 -10.883 -17.485 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.041 -8.570 -18.212 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.679 -7.868 -17.362 1.00 0.00 H new ATOM 913 N ASP A 60 -3.774 -10.426 -14.798 1.00 0.00 N ATOM 914 CA ASP A 60 -2.636 -10.545 -13.848 1.00 0.00 C ATOM 915 C ASP A 60 -1.814 -9.240 -13.723 1.00 0.00 C ATOM 916 O ASP A 60 -0.682 -9.257 -13.221 1.00 0.00 O ATOM 917 CB ASP A 60 -1.720 -11.746 -14.223 1.00 0.00 C ATOM 918 CG ASP A 60 -2.376 -13.111 -13.970 1.00 0.00 C ATOM 919 OD1 ASP A 60 -3.206 -13.554 -14.793 1.00 0.00 O ATOM 920 OD2 ASP A 60 -2.079 -13.743 -12.937 1.00 0.00 O ATOM 0 H ASP A 60 -4.675 -10.617 -14.359 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.072 -10.731 -12.866 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.447 -11.671 -15.276 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.796 -11.683 -13.649 1.00 0.00 H new ATOM 925 N GLU A 61 -2.413 -8.113 -14.131 1.00 0.00 N ATOM 926 CA GLU A 61 -1.761 -6.793 -14.113 1.00 0.00 C ATOM 927 C GLU A 61 -1.841 -6.167 -12.724 1.00 0.00 C ATOM 928 O GLU A 61 -0.838 -5.690 -12.187 1.00 0.00 O ATOM 929 CB GLU A 61 -2.437 -5.875 -15.155 1.00 0.00 C ATOM 930 CG GLU A 61 -2.307 -6.374 -16.604 1.00 0.00 C ATOM 931 CD GLU A 61 -0.851 -6.421 -17.096 1.00 0.00 C ATOM 932 OE1 GLU A 61 -0.147 -7.442 -16.875 1.00 0.00 O ATOM 933 OE2 GLU A 61 -0.383 -5.421 -17.678 1.00 0.00 O ATOM 0 H GLU A 61 -3.369 -8.090 -14.485 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.708 -6.915 -14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.494 -5.779 -14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.001 -4.879 -15.084 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.742 -7.370 -16.680 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.885 -5.723 -17.260 1.00 0.00 H new ATOM 940 N ASP A 62 -3.051 -6.227 -12.135 1.00 0.00 N ATOM 941 CA ASP A 62 -3.369 -5.594 -10.829 1.00 0.00 C ATOM 942 C ASP A 62 -2.628 -6.270 -9.653 1.00 0.00 C ATOM 943 O ASP A 62 -2.758 -5.833 -8.512 1.00 0.00 O ATOM 944 CB ASP A 62 -4.895 -5.581 -10.578 1.00 0.00 C ATOM 945 CG ASP A 62 -5.686 -5.006 -11.758 1.00 0.00 C ATOM 946 OD1 ASP A 62 -5.776 -3.766 -11.892 1.00 0.00 O ATOM 947 OD2 ASP A 62 -6.202 -5.795 -12.575 1.00 0.00 O ATOM 0 H ASP A 62 -3.843 -6.717 -12.550 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.016 -4.564 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.235 -6.598 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.107 -4.994 -9.684 1.00 0.00 H new ATOM 952 N ILE A 63 -1.927 -7.385 -9.942 1.00 0.00 N ATOM 953 CA ILE A 63 -0.943 -8.001 -9.025 1.00 0.00 C ATOM 954 C ILE A 63 0.177 -6.982 -8.707 1.00 0.00 C ATOM 955 O ILE A 63 0.519 -6.729 -7.547 1.00 0.00 O ATOM 956 CB ILE A 63 -0.288 -9.292 -9.677 1.00 0.00 C ATOM 957 CG1 ILE A 63 -1.380 -10.331 -10.083 1.00 0.00 C ATOM 958 CG2 ILE A 63 0.786 -9.938 -8.749 1.00 0.00 C ATOM 959 CD1 ILE A 63 -2.258 -10.787 -8.946 1.00 0.00 C ATOM 0 H ILE A 63 -2.028 -7.888 -10.824 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.464 -8.291 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 63 0.226 -8.968 -10.582 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.009 -9.895 -10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.891 -11.202 -10.520 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.206 -10.818 -9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.580 -9.217 -8.554 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.323 -10.232 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.988 -11.507 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.644 -11.256 -8.177 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.778 -9.929 -8.521 1.00 0.00 H new ATOM 971 N MET A 64 0.726 -6.406 -9.784 1.00 0.00 N ATOM 972 CA MET A 64 1.864 -5.471 -9.741 1.00 0.00 C ATOM 973 C MET A 64 1.375 -4.025 -9.610 1.00 0.00 C ATOM 974 O MET A 64 2.082 -3.174 -9.066 1.00 0.00 O ATOM 975 CB MET A 64 2.690 -5.638 -11.044 1.00 0.00 C ATOM 976 CG MET A 64 3.305 -7.041 -11.218 1.00 0.00 C ATOM 977 SD MET A 64 3.711 -7.421 -12.935 1.00 0.00 S ATOM 978 CE MET A 64 2.077 -7.514 -13.676 1.00 0.00 C ATOM 0 H MET A 64 0.387 -6.579 -10.730 1.00 0.00 H new ATOM 0 HA MET A 64 2.484 -5.695 -8.873 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.049 -5.425 -11.899 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.490 -4.898 -11.053 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.208 -7.114 -10.612 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.606 -7.788 -10.841 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.057 -8.317 -14.413 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.337 -7.714 -12.901 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.844 -6.567 -14.164 1.00 0.00 H new ATOM 988 N ARG A 65 0.165 -3.756 -10.128 1.00 0.00 N ATOM 989 CA ARG A 65 -0.395 -2.388 -10.211 1.00 0.00 C ATOM 990 C ARG A 65 -1.263 -2.037 -8.985 1.00 0.00 C ATOM 991 O ARG A 65 -1.693 -0.886 -8.838 1.00 0.00 O ATOM 992 CB ARG A 65 -1.196 -2.229 -11.531 1.00 0.00 C ATOM 993 CG ARG A 65 -0.397 -2.561 -12.818 1.00 0.00 C ATOM 994 CD ARG A 65 0.936 -1.798 -12.920 1.00 0.00 C ATOM 995 NE ARG A 65 1.654 -2.118 -14.164 1.00 0.00 N ATOM 996 CZ ARG A 65 2.688 -1.430 -14.673 1.00 0.00 C ATOM 997 NH1 ARG A 65 3.136 -0.332 -14.081 1.00 0.00 N ATOM 998 NH2 ARG A 65 3.262 -1.849 -15.789 1.00 0.00 N ATOM 0 H ARG A 65 -0.454 -4.475 -10.501 1.00 0.00 H new ATOM 0 HA ARG A 65 0.436 -1.683 -10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.073 -2.874 -11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -1.558 -1.203 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.198 -3.632 -12.848 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.010 -2.326 -13.689 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.746 -0.726 -12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.563 -2.046 -12.064 1.00 0.00 H new ATOM 0 HE ARG A 65 1.338 -2.935 -14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.694 0.002 -13.225 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.923 0.179 -14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.918 -2.688 -16.255 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.048 -1.332 -16.183 1.00 0.00 H new ATOM 1012 N ALA A 66 -1.489 -3.022 -8.100 1.00 0.00 N ATOM 1013 CA ALA A 66 -2.198 -2.828 -6.820 1.00 0.00 C ATOM 1014 C ALA A 66 -1.776 -3.919 -5.829 1.00 0.00 C ATOM 1015 O ALA A 66 -1.573 -5.073 -6.222 1.00 0.00 O ATOM 1016 CB ALA A 66 -3.724 -2.847 -7.029 1.00 0.00 C ATOM 0 H ALA A 66 -1.183 -3.983 -8.252 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.930 -1.853 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.224 -2.702 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.008 -2.046 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.021 -3.806 -7.452 1.00 0.00 H new ATOM 1022 N GLU A 67 -1.614 -3.557 -4.548 1.00 0.00 N ATOM 1023 CA GLU A 67 -1.381 -4.551 -3.489 1.00 0.00 C ATOM 1024 C GLU A 67 -2.727 -5.134 -3.039 1.00 0.00 C ATOM 1025 O GLU A 67 -3.786 -4.534 -3.282 1.00 0.00 O ATOM 1026 CB GLU A 67 -0.613 -3.938 -2.295 1.00 0.00 C ATOM 1027 CG GLU A 67 -1.360 -2.813 -1.525 1.00 0.00 C ATOM 1028 CD GLU A 67 -0.462 -1.608 -1.231 1.00 0.00 C ATOM 1029 OE1 GLU A 67 0.298 -1.631 -0.239 1.00 0.00 O ATOM 1030 OE2 GLU A 67 -0.442 -0.668 -2.057 1.00 0.00 O ATOM 0 H GLU A 67 -1.640 -2.591 -4.221 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.758 -5.351 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.371 -4.736 -1.593 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.333 -3.538 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.220 -2.487 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.745 -3.213 -0.587 1.00 0.00 H new ATOM 1037 N ARG A 68 -2.695 -6.309 -2.406 1.00 0.00 N ATOM 1038 CA ARG A 68 -3.919 -6.970 -1.929 1.00 0.00 C ATOM 1039 C ARG A 68 -4.366 -6.385 -0.578 1.00 0.00 C ATOM 1040 O ARG A 68 -3.547 -6.163 0.326 1.00 0.00 O ATOM 1041 CB ARG A 68 -3.720 -8.504 -1.831 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.535 -8.961 -0.949 1.00 0.00 C ATOM 1043 CD ARG A 68 -2.432 -10.496 -0.865 1.00 0.00 C ATOM 1044 NE ARG A 68 -2.315 -11.130 -2.198 1.00 0.00 N ATOM 1045 CZ ARG A 68 -3.263 -11.886 -2.795 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -4.476 -12.019 -2.259 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -3.003 -12.464 -3.956 1.00 0.00 N ATOM 0 H ARG A 68 -1.837 -6.825 -2.210 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.709 -6.781 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.635 -8.948 -1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.577 -8.900 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.606 -8.558 -1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.651 -8.551 0.054 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.566 -10.766 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.312 -10.889 -0.355 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.445 -10.984 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.702 -11.546 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.179 -12.594 -2.724 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.091 -12.338 -4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.714 -13.036 -4.412 1.00 0.00 H new ATOM 1061 N ARG A 69 -5.673 -6.116 -0.471 1.00 0.00 N ATOM 1062 CA ARG A 69 -6.312 -5.710 0.779 1.00 0.00 C ATOM 1063 C ARG A 69 -6.593 -6.985 1.598 1.00 0.00 C ATOM 1064 O ARG A 69 -6.584 -8.098 1.050 1.00 0.00 O ATOM 1065 CB ARG A 69 -7.609 -4.920 0.446 1.00 0.00 C ATOM 1066 CG ARG A 69 -8.242 -4.144 1.627 1.00 0.00 C ATOM 1067 CD ARG A 69 -9.371 -3.194 1.175 1.00 0.00 C ATOM 1068 NE ARG A 69 -10.050 -2.552 2.316 1.00 0.00 N ATOM 1069 CZ ARG A 69 -10.880 -1.498 2.243 1.00 0.00 C ATOM 1070 NH1 ARG A 69 -11.115 -0.888 1.089 1.00 0.00 N ATOM 1071 NH2 ARG A 69 -11.458 -1.060 3.347 1.00 0.00 N ATOM 0 H ARG A 69 -6.319 -6.176 -1.258 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.675 -5.053 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.387 -4.212 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.349 -5.619 0.056 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.638 -4.854 2.353 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.469 -3.568 2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.957 -2.426 0.522 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.100 -3.753 0.588 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.874 -2.942 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.662 -1.218 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.748 -0.089 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.272 -1.521 4.238 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.091 -0.261 3.309 1.00 0.00 H new ATOM 1085 N PHE A 70 -6.814 -6.830 2.901 1.00 0.00 N ATOM 1086 CA PHE A 70 -7.013 -7.965 3.822 1.00 0.00 C ATOM 1087 C PHE A 70 -8.498 -8.170 4.106 1.00 0.00 C ATOM 1088 O PHE A 70 -9.332 -7.420 3.622 1.00 0.00 O ATOM 1089 CB PHE A 70 -6.205 -7.739 5.131 1.00 0.00 C ATOM 1090 CG PHE A 70 -4.724 -8.082 5.012 1.00 0.00 C ATOM 1091 CD1 PHE A 70 -3.951 -7.581 3.962 1.00 0.00 C ATOM 1092 CD2 PHE A 70 -4.115 -8.925 5.936 1.00 0.00 C ATOM 1093 CE1 PHE A 70 -2.623 -7.918 3.840 1.00 0.00 C ATOM 1094 CE2 PHE A 70 -2.789 -9.253 5.815 1.00 0.00 C ATOM 1095 CZ PHE A 70 -2.043 -8.754 4.764 1.00 0.00 C ATOM 0 H PHE A 70 -6.862 -5.918 3.356 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.641 -8.875 3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.303 -6.696 5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.644 -8.342 5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.402 -6.920 3.236 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.692 -9.325 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.038 -7.527 3.021 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.326 -9.903 6.543 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.001 -9.022 4.668 1.00 0.00 H new ATOM 1105 N GLU A 71 -8.798 -9.235 4.847 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.152 -9.626 5.257 1.00 0.00 C ATOM 1107 C GLU A 71 -10.128 -10.040 6.728 1.00 0.00 C ATOM 1108 O GLU A 71 -9.051 -10.225 7.306 1.00 0.00 O ATOM 1109 CB GLU A 71 -10.665 -10.810 4.398 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.820 -12.105 4.501 1.00 0.00 C ATOM 1111 CD GLU A 71 -10.516 -13.322 3.878 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -10.383 -13.543 2.656 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -11.218 -14.055 4.612 1.00 0.00 O ATOM 0 H GLU A 71 -8.082 -9.874 5.192 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.822 -8.778 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.689 -11.037 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.697 -10.496 3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.862 -11.948 4.006 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.607 -12.312 5.550 1.00 0.00 H new ATOM 1120 N THR A 72 -11.313 -10.201 7.327 1.00 0.00 N ATOM 1121 CA THR A 72 -11.447 -10.677 8.705 1.00 0.00 C ATOM 1122 C THR A 72 -11.839 -12.176 8.687 1.00 0.00 C ATOM 1123 O THR A 72 -12.933 -12.521 8.232 1.00 0.00 O ATOM 1124 CB THR A 72 -12.509 -9.823 9.474 1.00 0.00 C ATOM 1125 OG1 THR A 72 -12.225 -8.423 9.286 1.00 0.00 O ATOM 1126 CG2 THR A 72 -12.526 -10.130 10.979 1.00 0.00 C ATOM 0 H THR A 72 -12.204 -10.005 6.870 1.00 0.00 H new ATOM 0 HA THR A 72 -10.496 -10.568 9.227 1.00 0.00 H new ATOM 0 HB THR A 72 -13.488 -10.079 9.069 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.375 -7.943 10.127 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.279 -9.512 11.468 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.764 -11.182 11.133 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.547 -9.914 11.406 1.00 0.00 H new ATOM 1134 N ARG A 73 -10.920 -13.062 9.137 1.00 0.00 N ATOM 1135 CA ARG A 73 -11.173 -14.512 9.239 1.00 0.00 C ATOM 1136 C ARG A 73 -12.120 -14.819 10.415 1.00 0.00 C ATOM 1137 O ARG A 73 -13.055 -15.606 10.274 1.00 0.00 O ATOM 1138 CB ARG A 73 -9.833 -15.287 9.424 1.00 0.00 C ATOM 1139 CG ARG A 73 -8.968 -15.457 8.154 1.00 0.00 C ATOM 1140 CD ARG A 73 -9.636 -16.360 7.085 1.00 0.00 C ATOM 1141 NE ARG A 73 -8.634 -17.065 6.259 1.00 0.00 N ATOM 1142 CZ ARG A 73 -8.503 -16.990 4.929 1.00 0.00 C ATOM 1143 NH1 ARG A 73 -9.309 -16.240 4.195 1.00 0.00 N ATOM 1144 NH2 ARG A 73 -7.554 -17.688 4.337 1.00 0.00 N ATOM 0 H ARG A 73 -9.985 -12.789 9.438 1.00 0.00 H new ATOM 0 HA ARG A 73 -11.647 -14.838 8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.239 -14.771 10.178 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.060 -16.277 9.820 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.770 -14.476 7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.004 -15.883 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.280 -17.089 7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.274 -15.752 6.443 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.976 -17.669 6.752 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.052 -15.702 4.641 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.188 -16.200 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.931 -18.275 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.442 -17.641 3.324 1.00 0.00 H new ATOM 1158 N LEU A 74 -11.841 -14.211 11.583 1.00 0.00 N ATOM 1159 CA LEU A 74 -12.585 -14.454 12.846 1.00 0.00 C ATOM 1160 C LEU A 74 -12.784 -13.118 13.579 1.00 0.00 C ATOM 1161 O LEU A 74 -12.018 -12.182 13.351 1.00 0.00 O ATOM 1162 CB LEU A 74 -11.790 -15.447 13.742 1.00 0.00 C ATOM 1163 CG LEU A 74 -11.584 -16.886 13.161 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -10.577 -17.694 13.997 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -12.931 -17.639 13.032 1.00 0.00 C ATOM 0 H LEU A 74 -11.088 -13.531 11.684 1.00 0.00 H new ATOM 0 HA LEU A 74 -13.559 -14.890 12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.810 -15.016 13.946 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.305 -15.534 14.699 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.167 -16.775 12.160 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.459 -18.687 13.564 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.614 -17.183 14.000 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.943 -17.785 15.020 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.754 -18.635 12.626 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.395 -17.725 14.014 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.594 -17.088 12.365 1.00 0.00 H new ATOM 1177 N ALA A 75 -13.787 -13.038 14.480 1.00 0.00 N ATOM 1178 CA ALA A 75 -14.110 -11.779 15.189 1.00 0.00 C ATOM 1179 C ALA A 75 -14.790 -12.028 16.546 1.00 0.00 C ATOM 1180 O ALA A 75 -15.692 -12.864 16.642 1.00 0.00 O ATOM 1181 CB ALA A 75 -14.995 -10.882 14.308 1.00 0.00 C ATOM 0 H ALA A 75 -14.384 -13.825 14.733 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.166 -11.273 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.224 -9.960 14.842 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -14.467 -10.644 13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -15.922 -11.405 14.072 1.00 0.00 H new ATOM 1187 N GLY A 76 -14.342 -11.276 17.583 1.00 0.00 N ATOM 1188 CA GLY A 76 -14.897 -11.359 18.950 1.00 0.00 C ATOM 1189 C GLY A 76 -14.698 -12.726 19.603 1.00 0.00 C ATOM 1190 O GLY A 76 -15.447 -13.108 20.504 1.00 0.00 O ATOM 0 H GLY A 76 -13.586 -10.597 17.491 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.428 -10.596 19.571 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.963 -11.132 18.916 1.00 0.00 H new ATOM 1194 N VAL A 77 -13.655 -13.429 19.155 1.00 0.00 N ATOM 1195 CA VAL A 77 -13.365 -14.827 19.518 1.00 0.00 C ATOM 1196 C VAL A 77 -12.227 -14.883 20.556 1.00 0.00 C ATOM 1197 O VAL A 77 -11.887 -13.861 21.155 1.00 0.00 O ATOM 1198 CB VAL A 77 -12.988 -15.657 18.229 1.00 0.00 C ATOM 1199 CG1 VAL A 77 -14.197 -15.799 17.272 1.00 0.00 C ATOM 1200 CG2 VAL A 77 -11.775 -15.037 17.496 1.00 0.00 C ATOM 0 H VAL A 77 -12.968 -13.035 18.512 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.256 -15.269 19.963 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.706 -16.657 18.559 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.902 -16.376 16.396 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.010 -16.311 17.786 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -14.532 -14.810 16.959 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -11.541 -15.632 16.613 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.015 -14.018 17.194 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.914 -15.024 18.164 1.00 0.00 H new ATOM 1210 N GLU A 78 -11.668 -16.082 20.791 1.00 0.00 N ATOM 1211 CA GLU A 78 -10.532 -16.277 21.720 1.00 0.00 C ATOM 1212 C GLU A 78 -9.327 -16.889 20.988 1.00 0.00 C ATOM 1213 O GLU A 78 -9.451 -17.320 19.836 1.00 0.00 O ATOM 1214 CB GLU A 78 -10.973 -17.166 22.911 1.00 0.00 C ATOM 1215 CG GLU A 78 -11.502 -18.551 22.513 1.00 0.00 C ATOM 1216 CD GLU A 78 -11.885 -19.409 23.723 1.00 0.00 C ATOM 1217 OE1 GLU A 78 -13.038 -19.325 24.188 1.00 0.00 O ATOM 1218 OE2 GLU A 78 -11.023 -20.151 24.234 1.00 0.00 O ATOM 0 H GLU A 78 -11.986 -16.943 20.346 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.222 -15.306 22.108 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.126 -17.295 23.584 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.748 -16.643 23.471 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.372 -18.431 21.868 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.742 -19.071 21.930 1.00 0.00 H new ATOM 1225 N GLY A 79 -8.183 -16.961 21.706 1.00 0.00 N ATOM 1226 CA GLY A 79 -6.912 -17.465 21.163 1.00 0.00 C ATOM 1227 C GLY A 79 -6.955 -18.913 20.706 1.00 0.00 C ATOM 1228 O GLY A 79 -6.176 -19.315 19.836 1.00 0.00 O ATOM 0 H GLY A 79 -8.121 -16.669 22.681 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.617 -16.839 20.320 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.139 -17.360 21.924 1.00 0.00 H new ATOM 1232 N GLU A 80 -7.871 -19.692 21.304 1.00 0.00 N ATOM 1233 CA GLU A 80 -8.111 -21.091 20.917 1.00 0.00 C ATOM 1234 C GLU A 80 -8.701 -21.152 19.497 1.00 0.00 C ATOM 1235 O GLU A 80 -8.255 -21.945 18.665 1.00 0.00 O ATOM 1236 CB GLU A 80 -9.067 -21.775 21.924 1.00 0.00 C ATOM 1237 CG GLU A 80 -9.266 -23.291 21.696 1.00 0.00 C ATOM 1238 CD GLU A 80 -10.238 -23.932 22.696 1.00 0.00 C ATOM 1239 OE1 GLU A 80 -9.902 -24.011 23.893 1.00 0.00 O ATOM 1240 OE2 GLU A 80 -11.334 -24.368 22.295 1.00 0.00 O ATOM 0 H GLU A 80 -8.465 -19.370 22.068 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.160 -21.624 20.927 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.683 -21.620 22.932 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.038 -21.283 21.874 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.637 -23.454 20.684 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.300 -23.792 21.766 1.00 0.00 H new ATOM 1247 N GLU A 81 -9.683 -20.268 19.231 1.00 0.00 N ATOM 1248 CA GLU A 81 -10.348 -20.156 17.917 1.00 0.00 C ATOM 1249 C GLU A 81 -9.365 -19.644 16.851 1.00 0.00 C ATOM 1250 O GLU A 81 -9.382 -20.106 15.698 1.00 0.00 O ATOM 1251 CB GLU A 81 -11.573 -19.209 18.020 1.00 0.00 C ATOM 1252 CG GLU A 81 -12.600 -19.597 19.108 1.00 0.00 C ATOM 1253 CD GLU A 81 -13.237 -20.982 18.898 1.00 0.00 C ATOM 1254 OE1 GLU A 81 -14.250 -21.074 18.176 1.00 0.00 O ATOM 1255 OE2 GLU A 81 -12.721 -21.990 19.441 1.00 0.00 O ATOM 0 H GLU A 81 -10.039 -19.609 19.924 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.691 -21.146 17.617 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.218 -18.198 18.219 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.079 -19.185 17.055 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -12.109 -19.577 20.081 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.389 -18.845 19.134 1.00 0.00 H new ATOM 1262 N ILE A 82 -8.500 -18.704 17.266 1.00 0.00 N ATOM 1263 CA ILE A 82 -7.465 -18.113 16.403 1.00 0.00 C ATOM 1264 C ILE A 82 -6.491 -19.199 15.915 1.00 0.00 C ATOM 1265 O ILE A 82 -6.340 -19.409 14.710 1.00 0.00 O ATOM 1266 CB ILE A 82 -6.670 -16.985 17.162 1.00 0.00 C ATOM 1267 CG1 ILE A 82 -7.623 -15.843 17.631 1.00 0.00 C ATOM 1268 CG2 ILE A 82 -5.514 -16.422 16.305 1.00 0.00 C ATOM 1269 CD1 ILE A 82 -8.370 -15.136 16.526 1.00 0.00 C ATOM 0 H ILE A 82 -8.499 -18.331 18.215 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.963 -17.665 15.543 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.228 -17.442 18.047 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -8.349 -16.261 18.329 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.038 -15.106 18.182 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.991 -15.647 16.864 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.818 -17.225 16.060 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.916 -15.997 15.385 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.005 -14.360 16.954 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.657 -14.682 15.837 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.988 -15.854 15.987 1.00 0.00 H new ATOM 1281 N ALA A 83 -5.885 -19.911 16.879 1.00 0.00 N ATOM 1282 CA ALA A 83 -4.909 -20.984 16.615 1.00 0.00 C ATOM 1283 C ALA A 83 -5.575 -22.191 15.930 1.00 0.00 C ATOM 1284 O ALA A 83 -4.898 -22.984 15.264 1.00 0.00 O ATOM 1285 CB ALA A 83 -4.222 -21.404 17.921 1.00 0.00 C ATOM 0 H ALA A 83 -6.059 -19.758 17.872 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.153 -20.598 15.931 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.503 -22.197 17.715 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.704 -20.547 18.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.970 -21.767 18.626 1.00 0.00 H new ATOM 1291 N ALA A 84 -6.909 -22.314 16.100 1.00 0.00 N ATOM 1292 CA ALA A 84 -7.712 -23.356 15.436 1.00 0.00 C ATOM 1293 C ALA A 84 -7.722 -23.163 13.913 1.00 0.00 C ATOM 1294 O ALA A 84 -7.683 -24.141 13.178 1.00 0.00 O ATOM 1295 CB ALA A 84 -9.151 -23.385 15.973 1.00 0.00 C ATOM 0 H ALA A 84 -7.455 -21.695 16.699 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.243 -24.314 15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.715 -24.165 15.461 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.136 -23.591 17.043 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.625 -22.419 15.796 1.00 0.00 H new ATOM 1301 N LEU A 85 -7.801 -21.899 13.437 1.00 0.00 N ATOM 1302 CA LEU A 85 -7.703 -21.609 11.992 1.00 0.00 C ATOM 1303 C LEU A 85 -6.234 -21.564 11.536 1.00 0.00 C ATOM 1304 O LEU A 85 -5.912 -22.050 10.456 1.00 0.00 O ATOM 1305 CB LEU A 85 -8.385 -20.286 11.582 1.00 0.00 C ATOM 1306 CG LEU A 85 -8.372 -20.028 10.019 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -9.760 -20.155 9.393 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -7.653 -18.717 9.641 1.00 0.00 C ATOM 0 H LEU A 85 -7.931 -21.076 14.025 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.231 -22.425 11.499 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.417 -20.294 11.933 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.885 -19.458 12.083 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.776 -20.828 9.580 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.694 -19.969 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -10.145 -21.160 9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.432 -19.427 9.847 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.673 -18.590 8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.158 -17.875 10.115 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.619 -18.758 9.982 1.00 0.00 H new ATOM 1320 N LEU A 86 -5.356 -20.953 12.360 1.00 0.00 N ATOM 1321 CA LEU A 86 -3.909 -20.820 12.051 1.00 0.00 C ATOM 1322 C LEU A 86 -3.275 -22.190 11.777 1.00 0.00 C ATOM 1323 O LEU A 86 -2.373 -22.289 10.946 1.00 0.00 O ATOM 1324 CB LEU A 86 -3.139 -20.100 13.197 1.00 0.00 C ATOM 1325 CG LEU A 86 -3.465 -18.587 13.411 1.00 0.00 C ATOM 1326 CD1 LEU A 86 -2.648 -17.998 14.587 1.00 0.00 C ATOM 1327 CD2 LEU A 86 -3.247 -17.782 12.109 1.00 0.00 C ATOM 0 H LEU A 86 -5.624 -20.539 13.253 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.831 -20.209 11.152 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.342 -20.628 14.129 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.071 -20.195 13.003 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.519 -18.506 13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.897 -16.944 14.711 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.888 -18.538 15.503 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.583 -18.097 14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.481 -16.732 12.287 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.207 -17.874 11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.898 -18.172 11.327 1.00 0.00 H new ATOM 1339 N GLU A 87 -3.794 -23.247 12.447 1.00 0.00 N ATOM 1340 CA GLU A 87 -3.289 -24.618 12.265 1.00 0.00 C ATOM 1341 C GLU A 87 -3.779 -25.190 10.924 1.00 0.00 C ATOM 1342 O GLU A 87 -3.075 -25.995 10.297 1.00 0.00 O ATOM 1343 CB GLU A 87 -3.673 -25.543 13.467 1.00 0.00 C ATOM 1344 CG GLU A 87 -5.142 -26.065 13.508 1.00 0.00 C ATOM 1345 CD GLU A 87 -5.427 -27.326 12.657 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -4.489 -28.118 12.386 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -6.591 -27.538 12.263 1.00 0.00 O ATOM 0 H GLU A 87 -4.560 -23.171 13.116 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.200 -24.580 12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.006 -26.405 13.460 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.480 -24.998 14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.403 -26.281 14.544 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.802 -25.265 13.173 1.00 0.00 H new ATOM 1354 N ARG A 88 -4.993 -24.766 10.495 1.00 0.00 N ATOM 1355 CA ARG A 88 -5.601 -25.231 9.241 1.00 0.00 C ATOM 1356 C ARG A 88 -4.828 -24.648 8.054 1.00 0.00 C ATOM 1357 O ARG A 88 -4.425 -25.358 7.143 1.00 0.00 O ATOM 1358 CB ARG A 88 -7.078 -24.777 9.117 1.00 0.00 C ATOM 1359 CG ARG A 88 -8.014 -25.256 10.232 1.00 0.00 C ATOM 1360 CD ARG A 88 -9.450 -24.723 10.052 1.00 0.00 C ATOM 1361 NE ARG A 88 -10.068 -25.195 8.791 1.00 0.00 N ATOM 1362 CZ ARG A 88 -10.286 -24.448 7.688 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -9.882 -23.183 7.628 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -10.887 -24.985 6.636 1.00 0.00 N ATOM 0 H ARG A 88 -5.567 -24.098 11.009 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.563 -26.320 9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -7.103 -23.688 9.089 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.469 -25.130 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.031 -26.346 10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.625 -24.930 11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.062 -25.041 10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.435 -23.633 10.062 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.355 -26.173 8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.400 -22.763 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.054 -22.632 6.787 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.184 -25.961 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.053 -24.423 5.801 1.00 0.00 H new ATOM 1378 N GLU A 89 -4.633 -23.326 8.106 1.00 0.00 N ATOM 1379 CA GLU A 89 -4.014 -22.554 7.030 1.00 0.00 C ATOM 1380 C GLU A 89 -2.540 -22.946 6.867 1.00 0.00 C ATOM 1381 O GLU A 89 -2.075 -23.119 5.746 1.00 0.00 O ATOM 1382 CB GLU A 89 -4.161 -21.038 7.311 1.00 0.00 C ATOM 1383 CG GLU A 89 -5.597 -20.568 7.564 1.00 0.00 C ATOM 1384 CD GLU A 89 -6.589 -20.837 6.415 1.00 0.00 C ATOM 1385 OE1 GLU A 89 -6.483 -20.181 5.360 1.00 0.00 O ATOM 1386 OE2 GLU A 89 -7.498 -21.689 6.575 1.00 0.00 O ATOM 0 H GLU A 89 -4.905 -22.757 8.908 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.525 -22.779 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.552 -20.783 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.757 -20.485 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.968 -21.056 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.581 -19.497 7.765 1.00 0.00 H new ATOM 1393 N ARG A 90 -1.826 -23.105 8.008 1.00 0.00 N ATOM 1394 CA ARG A 90 -0.393 -23.524 8.011 1.00 0.00 C ATOM 1395 C ARG A 90 -0.228 -24.966 7.494 1.00 0.00 C ATOM 1396 O ARG A 90 0.826 -25.318 6.952 1.00 0.00 O ATOM 1397 CB ARG A 90 0.274 -23.359 9.409 1.00 0.00 C ATOM 1398 CG ARG A 90 -0.096 -24.440 10.444 1.00 0.00 C ATOM 1399 CD ARG A 90 0.520 -24.198 11.833 1.00 0.00 C ATOM 1400 NE ARG A 90 0.115 -25.246 12.786 1.00 0.00 N ATOM 1401 CZ ARG A 90 0.294 -25.206 14.109 1.00 0.00 C ATOM 1402 NH1 ARG A 90 0.859 -24.153 14.692 1.00 0.00 N ATOM 1403 NH2 ARG A 90 -0.112 -26.227 14.846 1.00 0.00 N ATOM 0 H ARG A 90 -2.214 -22.951 8.939 1.00 0.00 H new ATOM 0 HA ARG A 90 0.126 -22.853 7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.356 -23.358 9.280 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.000 -22.384 9.812 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.181 -24.484 10.539 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.231 -25.412 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.607 -24.176 11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.208 -23.223 12.207 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.341 -26.074 12.402 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.163 -23.360 14.128 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.988 -24.139 15.704 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.555 -27.032 14.403 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.018 -26.210 15.857 1.00 0.00 H new ATOM 1417 N ARG A 91 -1.274 -25.795 7.696 1.00 0.00 N ATOM 1418 CA ARG A 91 -1.314 -27.192 7.217 1.00 0.00 C ATOM 1419 C ARG A 91 -1.241 -27.226 5.676 1.00 0.00 C ATOM 1420 O ARG A 91 -0.465 -27.991 5.092 1.00 0.00 O ATOM 1421 CB ARG A 91 -2.623 -27.871 7.703 1.00 0.00 C ATOM 1422 CG ARG A 91 -2.768 -29.369 7.360 1.00 0.00 C ATOM 1423 CD ARG A 91 -4.198 -29.898 7.587 1.00 0.00 C ATOM 1424 NE ARG A 91 -4.696 -29.665 8.959 1.00 0.00 N ATOM 1425 CZ ARG A 91 -5.805 -30.215 9.471 1.00 0.00 C ATOM 1426 NH1 ARG A 91 -6.519 -31.091 8.779 1.00 0.00 N ATOM 1427 NH2 ARG A 91 -6.195 -29.891 10.685 1.00 0.00 N ATOM 0 H ARG A 91 -2.116 -25.513 8.197 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.458 -27.734 7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.690 -27.757 8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.469 -27.335 7.273 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.488 -29.527 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.071 -29.946 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.872 -29.419 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.220 -30.967 7.376 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.157 -29.041 9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.227 -31.358 7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.360 -31.499 9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.653 -29.223 11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.039 -30.308 11.078 1.00 0.00 H new ATOM 1441 N PHE A 92 -2.055 -26.362 5.038 1.00 0.00 N ATOM 1442 CA PHE A 92 -2.146 -26.260 3.570 1.00 0.00 C ATOM 1443 C PHE A 92 -1.139 -25.236 2.997 1.00 0.00 C ATOM 1444 O PHE A 92 -0.897 -25.223 1.782 1.00 0.00 O ATOM 1445 CB PHE A 92 -3.597 -25.886 3.162 1.00 0.00 C ATOM 1446 CG PHE A 92 -4.631 -26.976 3.467 1.00 0.00 C ATOM 1447 CD1 PHE A 92 -5.292 -27.020 4.690 1.00 0.00 C ATOM 1448 CD2 PHE A 92 -4.937 -27.958 2.526 1.00 0.00 C ATOM 1449 CE1 PHE A 92 -6.221 -28.000 4.968 1.00 0.00 C ATOM 1450 CE2 PHE A 92 -5.869 -28.941 2.805 1.00 0.00 C ATOM 1451 CZ PHE A 92 -6.509 -28.961 4.024 1.00 0.00 C ATOM 0 H PHE A 92 -2.670 -25.713 5.529 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.888 -27.231 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.885 -24.971 3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.618 -25.668 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -5.073 -26.271 5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.440 -27.951 1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.722 -28.014 5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.095 -29.695 2.065 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.236 -29.730 4.240 1.00 0.00 H new ATOM 1461 N ASP A 93 -0.559 -24.391 3.871 1.00 0.00 N ATOM 1462 CA ASP A 93 0.372 -23.320 3.470 1.00 0.00 C ATOM 1463 C ASP A 93 1.186 -22.854 4.687 1.00 0.00 C ATOM 1464 O ASP A 93 0.754 -21.974 5.440 1.00 0.00 O ATOM 1465 CB ASP A 93 -0.407 -22.126 2.848 1.00 0.00 C ATOM 1466 CG ASP A 93 0.505 -21.033 2.267 1.00 0.00 C ATOM 1467 OD1 ASP A 93 0.917 -21.158 1.092 1.00 0.00 O ATOM 1468 OD2 ASP A 93 0.814 -20.046 2.972 1.00 0.00 O ATOM 0 H ASP A 93 -0.724 -24.432 4.877 1.00 0.00 H new ATOM 0 HA ASP A 93 1.056 -23.711 2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.060 -22.500 2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -1.049 -21.685 3.611 1.00 0.00 H new ATOM 1473 N SER A 94 2.352 -23.476 4.898 1.00 0.00 N ATOM 1474 CA SER A 94 3.292 -23.078 5.958 1.00 0.00 C ATOM 1475 C SER A 94 4.077 -21.804 5.546 1.00 0.00 C ATOM 1476 O SER A 94 4.858 -21.265 6.335 1.00 0.00 O ATOM 1477 CB SER A 94 4.249 -24.251 6.286 1.00 0.00 C ATOM 1478 OG SER A 94 5.046 -23.969 7.430 1.00 0.00 O ATOM 0 H SER A 94 2.672 -24.268 4.341 1.00 0.00 H new ATOM 0 HA SER A 94 2.728 -22.837 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.669 -25.157 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.895 -24.445 5.430 1.00 0.00 H new ATOM 0 HG SER A 94 5.638 -24.729 7.612 1.00 0.00 H new ATOM 1484 N ASP A 95 3.837 -21.318 4.306 1.00 0.00 N ATOM 1485 CA ASP A 95 4.442 -20.077 3.779 1.00 0.00 C ATOM 1486 C ASP A 95 3.741 -18.812 4.316 1.00 0.00 C ATOM 1487 O ASP A 95 4.104 -17.694 3.922 1.00 0.00 O ATOM 1488 CB ASP A 95 4.408 -20.085 2.229 1.00 0.00 C ATOM 1489 CG ASP A 95 5.287 -21.191 1.625 1.00 0.00 C ATOM 1490 OD1 ASP A 95 6.487 -20.947 1.371 1.00 0.00 O ATOM 1491 OD2 ASP A 95 4.796 -22.326 1.424 1.00 0.00 O ATOM 0 H ASP A 95 3.215 -21.779 3.642 1.00 0.00 H new ATOM 0 HA ASP A 95 5.476 -20.048 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.380 -20.219 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 95 4.742 -19.116 1.857 1.00 0.00 H new ATOM 1496 N LEU A 96 2.747 -18.982 5.219 1.00 0.00 N ATOM 1497 CA LEU A 96 2.048 -17.843 5.845 1.00 0.00 C ATOM 1498 C LEU A 96 2.877 -17.261 7.011 1.00 0.00 C ATOM 1499 O LEU A 96 3.774 -17.926 7.552 1.00 0.00 O ATOM 1500 CB LEU A 96 0.595 -18.238 6.290 1.00 0.00 C ATOM 1501 CG LEU A 96 0.386 -18.988 7.662 1.00 0.00 C ATOM 1502 CD1 LEU A 96 0.228 -18.016 8.858 1.00 0.00 C ATOM 1503 CD2 LEU A 96 -0.820 -19.931 7.603 1.00 0.00 C ATOM 0 H LEU A 96 2.414 -19.896 5.527 1.00 0.00 H new ATOM 0 HA LEU A 96 1.945 -17.056 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.002 -17.324 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.171 -18.865 5.506 1.00 0.00 H new ATOM 0 HG LEU A 96 1.292 -19.572 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.087 -18.588 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.123 -17.401 8.948 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.638 -17.375 8.694 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.937 -20.433 8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.720 -19.357 7.381 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.662 -20.675 6.822 1.00 0.00 H new ATOM 1515 N TRP A 97 2.552 -16.009 7.369 1.00 0.00 N ATOM 1516 CA TRP A 97 3.191 -15.250 8.453 1.00 0.00 C ATOM 1517 C TRP A 97 2.135 -14.921 9.514 1.00 0.00 C ATOM 1518 O TRP A 97 1.096 -14.363 9.177 1.00 0.00 O ATOM 1519 CB TRP A 97 3.775 -13.913 7.905 1.00 0.00 C ATOM 1520 CG TRP A 97 4.880 -14.061 6.885 1.00 0.00 C ATOM 1521 CD1 TRP A 97 4.823 -14.707 5.684 1.00 0.00 C ATOM 1522 CD2 TRP A 97 6.184 -13.491 6.963 1.00 0.00 C ATOM 1523 NE1 TRP A 97 6.029 -14.635 5.057 1.00 0.00 N ATOM 1524 CE2 TRP A 97 6.879 -13.881 5.811 1.00 0.00 C ATOM 1525 CE3 TRP A 97 6.839 -12.710 7.916 1.00 0.00 C ATOM 1526 CZ2 TRP A 97 8.195 -13.520 5.577 1.00 0.00 C ATOM 1527 CZ3 TRP A 97 8.143 -12.334 7.681 1.00 0.00 C ATOM 1528 CH2 TRP A 97 8.812 -12.743 6.519 1.00 0.00 C ATOM 0 H TRP A 97 1.816 -15.483 6.898 1.00 0.00 H new ATOM 0 HA TRP A 97 3.996 -15.848 8.880 1.00 0.00 H new ATOM 0 HB2 TRP A 97 2.964 -13.338 7.457 1.00 0.00 H new ATOM 0 HB3 TRP A 97 4.154 -13.330 8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 97 3.949 -15.203 5.289 1.00 0.00 H new ATOM 0 HE1 TRP A 97 6.260 -15.075 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 97 6.333 -12.406 8.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 8.714 -13.839 4.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 8.657 -11.716 8.402 1.00 0.00 H new ATOM 0 HH2 TRP A 97 9.836 -12.438 6.364 1.00 0.00 H new ATOM 1539 N VAL A 98 2.396 -15.250 10.784 1.00 0.00 N ATOM 1540 CA VAL A 98 1.508 -14.857 11.889 1.00 0.00 C ATOM 1541 C VAL A 98 2.102 -13.626 12.572 1.00 0.00 C ATOM 1542 O VAL A 98 3.207 -13.690 13.095 1.00 0.00 O ATOM 1543 CB VAL A 98 1.288 -16.007 12.942 1.00 0.00 C ATOM 1544 CG1 VAL A 98 0.419 -15.515 14.129 1.00 0.00 C ATOM 1545 CG2 VAL A 98 0.648 -17.254 12.285 1.00 0.00 C ATOM 0 H VAL A 98 3.213 -15.787 11.074 1.00 0.00 H new ATOM 0 HA VAL A 98 0.527 -14.636 11.469 1.00 0.00 H new ATOM 0 HB VAL A 98 2.267 -16.291 13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.282 -16.328 14.842 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.916 -14.680 14.622 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -0.553 -15.190 13.758 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.509 -18.030 13.037 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.318 -16.985 11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.302 -17.626 11.496 1.00 0.00 H new ATOM 1555 N VAL A 99 1.376 -12.501 12.516 1.00 0.00 N ATOM 1556 CA VAL A 99 1.722 -11.287 13.270 1.00 0.00 C ATOM 1557 C VAL A 99 0.668 -11.109 14.363 1.00 0.00 C ATOM 1558 O VAL A 99 -0.506 -10.872 14.057 1.00 0.00 O ATOM 1559 CB VAL A 99 1.767 -9.999 12.355 1.00 0.00 C ATOM 1560 CG1 VAL A 99 2.285 -8.759 13.140 1.00 0.00 C ATOM 1561 CG2 VAL A 99 2.608 -10.255 11.082 1.00 0.00 C ATOM 0 H VAL A 99 0.534 -12.406 11.948 1.00 0.00 H new ATOM 0 HA VAL A 99 2.721 -11.405 13.690 1.00 0.00 H new ATOM 0 HB VAL A 99 0.747 -9.778 12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.303 -7.892 12.480 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.624 -8.560 13.983 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.292 -8.956 13.508 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.624 -9.354 10.469 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.627 -10.518 11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.167 -11.073 10.513 1.00 0.00 H new ATOM 1571 N GLU A 100 1.067 -11.255 15.635 1.00 0.00 N ATOM 1572 CA GLU A 100 0.148 -11.056 16.754 1.00 0.00 C ATOM 1573 C GLU A 100 0.150 -9.583 17.161 1.00 0.00 C ATOM 1574 O GLU A 100 1.137 -9.070 17.693 1.00 0.00 O ATOM 1575 CB GLU A 100 0.463 -12.001 17.943 1.00 0.00 C ATOM 1576 CG GLU A 100 1.874 -11.949 18.538 1.00 0.00 C ATOM 1577 CD GLU A 100 1.984 -12.833 19.793 1.00 0.00 C ATOM 1578 OE1 GLU A 100 1.827 -14.072 19.678 1.00 0.00 O ATOM 1579 OE2 GLU A 100 2.162 -12.301 20.906 1.00 0.00 O ATOM 0 H GLU A 100 2.016 -11.509 15.909 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.859 -11.320 16.431 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.246 -11.783 18.742 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.273 -13.024 17.618 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.598 -12.280 17.793 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.126 -10.920 18.792 1.00 0.00 H new ATOM 1586 N ILE A 101 -0.958 -8.895 16.850 1.00 0.00 N ATOM 1587 CA ILE A 101 -1.152 -7.476 17.182 1.00 0.00 C ATOM 1588 C ILE A 101 -2.100 -7.359 18.387 1.00 0.00 C ATOM 1589 O ILE A 101 -2.967 -8.215 18.607 1.00 0.00 O ATOM 1590 CB ILE A 101 -1.703 -6.629 15.962 1.00 0.00 C ATOM 1591 CG1 ILE A 101 -3.116 -7.109 15.505 1.00 0.00 C ATOM 1592 CG2 ILE A 101 -0.707 -6.661 14.772 1.00 0.00 C ATOM 1593 CD1 ILE A 101 -3.796 -6.200 14.502 1.00 0.00 C ATOM 0 H ILE A 101 -1.749 -9.310 16.358 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.176 -7.060 17.431 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.803 -5.600 16.307 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.024 -8.104 15.070 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.755 -7.202 16.383 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.107 -6.072 13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.249 -6.242 15.086 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.562 -7.691 14.446 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.771 -6.611 14.241 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -3.924 -5.209 14.938 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.182 -6.125 13.604 1.00 0.00 H new ATOM 1605 N GLU A 102 -1.918 -6.297 19.165 1.00 0.00 N ATOM 1606 CA GLU A 102 -2.671 -6.049 20.389 1.00 0.00 C ATOM 1607 C GLU A 102 -3.011 -4.565 20.436 1.00 0.00 C ATOM 1608 O GLU A 102 -2.138 -3.737 20.677 1.00 0.00 O ATOM 1609 CB GLU A 102 -1.833 -6.465 21.625 1.00 0.00 C ATOM 1610 CG GLU A 102 -2.523 -6.198 22.971 1.00 0.00 C ATOM 1611 CD GLU A 102 -1.617 -6.489 24.171 1.00 0.00 C ATOM 1612 OE1 GLU A 102 -0.773 -5.630 24.514 1.00 0.00 O ATOM 1613 OE2 GLU A 102 -1.732 -7.573 24.777 1.00 0.00 O ATOM 0 H GLU A 102 -1.231 -5.572 18.959 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.588 -6.638 20.401 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.602 -7.528 21.552 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.884 -5.930 21.603 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.845 -5.157 23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.421 -6.812 23.042 1.00 0.00 H new ATOM 1620 N THR A 103 -4.271 -4.228 20.181 1.00 0.00 N ATOM 1621 CA THR A 103 -4.723 -2.832 20.094 1.00 0.00 C ATOM 1622 C THR A 103 -6.243 -2.765 20.293 1.00 0.00 C ATOM 1623 O THR A 103 -6.946 -3.772 20.152 1.00 0.00 O ATOM 1624 CB THR A 103 -4.282 -2.177 18.724 1.00 0.00 C ATOM 1625 OG1 THR A 103 -4.809 -0.843 18.581 1.00 0.00 O ATOM 1626 CG2 THR A 103 -4.695 -3.031 17.516 1.00 0.00 C ATOM 0 H THR A 103 -5.013 -4.911 20.028 1.00 0.00 H new ATOM 0 HA THR A 103 -4.249 -2.255 20.888 1.00 0.00 H new ATOM 0 HB THR A 103 -3.194 -2.124 18.747 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.504 -0.838 17.891 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.371 -2.542 16.597 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.228 -4.013 17.588 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.779 -3.145 17.504 1.00 0.00 H new ATOM 1634 N ASP A 104 -6.731 -1.576 20.650 1.00 0.00 N ATOM 1635 CA ASP A 104 -8.155 -1.331 20.898 1.00 0.00 C ATOM 1636 C ASP A 104 -8.926 -1.291 19.570 1.00 0.00 C ATOM 1637 O ASP A 104 -9.989 -1.908 19.435 1.00 0.00 O ATOM 1638 CB ASP A 104 -8.322 0.001 21.670 1.00 0.00 C ATOM 1639 CG ASP A 104 -9.786 0.315 22.015 1.00 0.00 C ATOM 1640 OD1 ASP A 104 -10.289 -0.243 23.002 1.00 0.00 O ATOM 1641 OD2 ASP A 104 -10.438 1.119 21.308 1.00 0.00 O ATOM 0 H ASP A 104 -6.146 -0.750 20.776 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.563 -2.142 21.502 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.739 -0.043 22.590 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.913 0.815 21.072 1.00 0.00 H new ATOM 1646 N GLU A 105 -8.363 -0.573 18.586 1.00 0.00 N ATOM 1647 CA GLU A 105 -8.996 -0.369 17.276 1.00 0.00 C ATOM 1648 C GLU A 105 -8.103 -0.938 16.163 1.00 0.00 C ATOM 1649 O GLU A 105 -6.868 -0.857 16.238 1.00 0.00 O ATOM 1650 CB GLU A 105 -9.293 1.138 17.050 1.00 0.00 C ATOM 1651 CG GLU A 105 -8.056 2.059 17.046 1.00 0.00 C ATOM 1652 CD GLU A 105 -8.399 3.545 16.835 1.00 0.00 C ATOM 1653 OE1 GLU A 105 -8.542 3.979 15.672 1.00 0.00 O ATOM 1654 OE2 GLU A 105 -8.552 4.286 17.828 1.00 0.00 O ATOM 0 H GLU A 105 -7.455 -0.117 18.677 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.946 -0.903 17.251 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.813 1.251 16.098 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.976 1.478 17.828 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.526 1.947 17.992 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.375 1.736 16.259 1.00 0.00 H new ATOM 1661 N ILE A 106 -8.741 -1.532 15.140 1.00 0.00 N ATOM 1662 CA ILE A 106 -8.045 -2.127 13.983 1.00 0.00 C ATOM 1663 C ILE A 106 -7.967 -1.115 12.818 1.00 0.00 C ATOM 1664 O ILE A 106 -6.956 -1.052 12.099 1.00 0.00 O ATOM 1665 CB ILE A 106 -8.753 -3.462 13.512 1.00 0.00 C ATOM 1666 CG1 ILE A 106 -7.904 -4.198 12.431 1.00 0.00 C ATOM 1667 CG2 ILE A 106 -10.196 -3.221 13.000 1.00 0.00 C ATOM 1668 CD1 ILE A 106 -6.564 -4.680 12.928 1.00 0.00 C ATOM 0 H ILE A 106 -9.757 -1.614 15.091 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.031 -2.378 14.295 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.827 -4.101 14.392 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.470 -5.051 12.058 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.747 -3.526 11.587 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.635 -4.169 12.690 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.798 -2.787 13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -10.172 -2.538 12.151 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.034 -5.181 12.118 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.977 -3.829 13.274 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.711 -5.378 13.752 1.00 0.00 H new ATOM 1680 N GLY A 107 -9.039 -0.305 12.669 1.00 0.00 N ATOM 1681 CA GLY A 107 -9.180 0.626 11.551 1.00 0.00 C ATOM 1682 C GLY A 107 -8.354 1.884 11.756 1.00 0.00 C ATOM 1683 O GLY A 107 -8.887 2.930 12.140 1.00 0.00 O ATOM 0 H GLY A 107 -9.822 -0.286 13.323 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.871 0.135 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.229 0.896 11.433 1.00 0.00 H new ATOM 1687 N THR A 108 -7.046 1.735 11.513 1.00 0.00 N ATOM 1688 CA THR A 108 -6.027 2.787 11.660 1.00 0.00 C ATOM 1689 C THR A 108 -4.641 2.185 11.370 1.00 0.00 C ATOM 1690 O THR A 108 -3.750 2.868 10.866 1.00 0.00 O ATOM 1691 CB THR A 108 -6.024 3.453 13.093 1.00 0.00 C ATOM 1692 OG1 THR A 108 -5.056 4.515 13.155 1.00 0.00 O ATOM 1693 CG2 THR A 108 -5.737 2.449 14.225 1.00 0.00 C ATOM 0 H THR A 108 -6.652 0.849 11.198 1.00 0.00 H new ATOM 0 HA THR A 108 -6.269 3.575 10.948 1.00 0.00 H new ATOM 0 HB THR A 108 -7.029 3.846 13.244 1.00 0.00 H new ATOM 0 HG1 THR A 108 -5.069 4.917 14.049 1.00 0.00 H new ATOM 0 HG21 THR A 108 -5.749 2.968 15.183 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.501 1.672 14.224 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.758 1.996 14.070 1.00 0.00 H new ATOM 1701 N LEU A 109 -4.487 0.878 11.674 1.00 0.00 N ATOM 1702 CA LEU A 109 -3.196 0.170 11.606 1.00 0.00 C ATOM 1703 C LEU A 109 -3.260 -1.091 10.723 1.00 0.00 C ATOM 1704 O LEU A 109 -2.236 -1.736 10.515 1.00 0.00 O ATOM 1705 CB LEU A 109 -2.711 -0.135 13.058 1.00 0.00 C ATOM 1706 CG LEU A 109 -3.796 -0.660 14.068 1.00 0.00 C ATOM 1707 CD1 LEU A 109 -4.078 -2.167 13.924 1.00 0.00 C ATOM 1708 CD2 LEU A 109 -3.428 -0.293 15.519 1.00 0.00 C ATOM 0 H LEU A 109 -5.260 0.284 11.975 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.464 0.814 11.119 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.912 -0.874 13.002 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.275 0.775 13.470 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.726 -0.153 13.811 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.835 -2.466 14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.438 -2.375 12.916 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.161 -2.728 14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.196 -0.669 16.195 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.468 -0.741 15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.359 0.791 15.614 1.00 0.00 H new ATOM 1720 N LEU A 110 -4.454 -1.431 10.207 1.00 0.00 N ATOM 1721 CA LEU A 110 -4.633 -2.529 9.238 1.00 0.00 C ATOM 1722 C LEU A 110 -5.933 -2.298 8.452 1.00 0.00 C ATOM 1723 O LEU A 110 -6.953 -1.897 9.031 1.00 0.00 O ATOM 1724 CB LEU A 110 -4.652 -3.908 9.953 1.00 0.00 C ATOM 1725 CG LEU A 110 -4.820 -5.170 9.040 1.00 0.00 C ATOM 1726 CD1 LEU A 110 -3.732 -5.248 7.949 1.00 0.00 C ATOM 1727 CD2 LEU A 110 -4.857 -6.465 9.881 1.00 0.00 C ATOM 0 H LEU A 110 -5.322 -0.953 10.449 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.791 -2.537 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.723 -4.014 10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.464 -3.903 10.680 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.778 -5.069 8.530 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.890 -6.139 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.787 -4.362 7.316 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.749 -5.298 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.974 -7.324 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.927 -6.562 10.441 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.696 -6.424 10.576 1.00 0.00 H new ATOM 1739 N THR A 111 -5.878 -2.551 7.133 1.00 0.00 N ATOM 1740 CA THR A 111 -6.993 -2.289 6.207 1.00 0.00 C ATOM 1741 C THR A 111 -7.653 -3.611 5.762 1.00 0.00 C ATOM 1742 O THR A 111 -6.981 -4.503 5.228 1.00 0.00 O ATOM 1743 CB THR A 111 -6.500 -1.496 4.956 1.00 0.00 C ATOM 1744 OG1 THR A 111 -5.771 -0.332 5.374 1.00 0.00 O ATOM 1745 CG2 THR A 111 -7.676 -1.074 4.061 1.00 0.00 C ATOM 0 H THR A 111 -5.055 -2.945 6.677 1.00 0.00 H new ATOM 0 HA THR A 111 -7.732 -1.686 6.735 1.00 0.00 H new ATOM 0 HB THR A 111 -5.849 -2.151 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.462 0.161 4.585 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.298 -0.524 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.210 -1.961 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 111 -8.355 -0.437 4.628 1.00 0.00 H new ATOM 1753 N LEU A 112 -8.982 -3.707 5.967 1.00 0.00 N ATOM 1754 CA LEU A 112 -9.781 -4.933 5.716 1.00 0.00 C ATOM 1755 C LEU A 112 -10.946 -4.630 4.766 1.00 0.00 C ATOM 1756 O LEU A 112 -11.383 -3.490 4.689 1.00 0.00 O ATOM 1757 CB LEU A 112 -10.325 -5.457 7.063 1.00 0.00 C ATOM 1758 CG LEU A 112 -9.244 -5.639 8.179 1.00 0.00 C ATOM 1759 CD1 LEU A 112 -9.869 -5.655 9.570 1.00 0.00 C ATOM 1760 CD2 LEU A 112 -8.370 -6.887 7.928 1.00 0.00 C ATOM 0 H LEU A 112 -9.541 -2.929 6.316 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.148 -5.688 5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.088 -4.767 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.817 -6.415 6.893 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.584 -4.773 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.087 -5.783 10.319 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.389 -4.713 9.746 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.578 -6.480 9.641 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.631 -6.980 8.724 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.001 -7.776 7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.860 -6.788 6.970 1.00 0.00 H new ATOM 1772 N VAL A 113 -11.433 -5.658 4.054 1.00 0.00 N ATOM 1773 CA VAL A 113 -12.594 -5.552 3.139 1.00 0.00 C ATOM 1774 C VAL A 113 -13.904 -5.778 3.918 1.00 0.00 C ATOM 1775 O VAL A 113 -14.961 -5.268 3.540 1.00 0.00 O ATOM 1776 CB VAL A 113 -12.496 -6.577 1.935 1.00 0.00 C ATOM 1777 CG1 VAL A 113 -11.318 -6.234 0.997 1.00 0.00 C ATOM 1778 CG2 VAL A 113 -12.373 -8.043 2.422 1.00 0.00 C ATOM 0 H VAL A 113 -11.033 -6.596 4.093 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.588 -4.547 2.717 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.428 -6.485 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.280 -6.957 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.458 -5.233 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.384 -6.270 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -12.309 -8.708 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -11.475 -8.150 3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -13.248 -8.303 3.017 1.00 0.00 H new ATOM 1788 N ASP A 114 -13.805 -6.561 5.006 1.00 0.00 N ATOM 1789 CA ASP A 114 -14.923 -6.838 5.921 1.00 0.00 C ATOM 1790 C ASP A 114 -15.211 -5.602 6.801 1.00 0.00 C ATOM 1791 O ASP A 114 -16.366 -5.211 6.992 1.00 0.00 O ATOM 1792 CB ASP A 114 -14.578 -8.072 6.798 1.00 0.00 C ATOM 1793 CG ASP A 114 -15.612 -8.342 7.907 1.00 0.00 C ATOM 1794 OD1 ASP A 114 -16.668 -8.943 7.624 1.00 0.00 O ATOM 1795 OD2 ASP A 114 -15.380 -7.930 9.064 1.00 0.00 O ATOM 0 H ASP A 114 -12.937 -7.024 5.277 1.00 0.00 H new ATOM 0 HA ASP A 114 -15.821 -7.057 5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -14.502 -8.952 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -13.599 -7.923 7.253 1.00 0.00 H new ATOM 1800 N GLN A 115 -14.138 -5.022 7.354 1.00 0.00 N ATOM 1801 CA GLN A 115 -14.204 -3.815 8.190 1.00 0.00 C ATOM 1802 C GLN A 115 -13.951 -2.553 7.326 1.00 0.00 C ATOM 1803 O GLN A 115 -13.510 -2.669 6.178 1.00 0.00 O ATOM 1804 CB GLN A 115 -13.153 -3.933 9.330 1.00 0.00 C ATOM 1805 CG GLN A 115 -13.422 -5.072 10.340 1.00 0.00 C ATOM 1806 CD GLN A 115 -14.716 -4.882 11.134 1.00 0.00 C ATOM 1807 OE1 GLN A 115 -14.722 -4.259 12.196 1.00 0.00 O ATOM 1808 NE2 GLN A 115 -15.820 -5.414 10.634 1.00 0.00 N ATOM 0 H GLN A 115 -13.191 -5.380 7.233 1.00 0.00 H new ATOM 0 HA GLN A 115 -15.196 -3.722 8.631 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.170 -4.085 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.116 -2.987 9.871 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.468 -6.020 9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.584 -5.139 11.034 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.786 -5.925 9.752 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.705 -5.313 11.131 1.00 0.00 H new ATOM 1817 N PRO A 116 -14.284 -1.327 7.846 1.00 0.00 N ATOM 1818 CA PRO A 116 -13.877 -0.031 7.220 1.00 0.00 C ATOM 1819 C PRO A 116 -12.342 0.116 6.997 1.00 0.00 C ATOM 1820 O PRO A 116 -11.542 -0.741 7.406 1.00 0.00 O ATOM 1821 CB PRO A 116 -14.386 1.030 8.242 1.00 0.00 C ATOM 1822 CG PRO A 116 -15.529 0.362 8.941 1.00 0.00 C ATOM 1823 CD PRO A 116 -15.148 -1.102 9.038 1.00 0.00 C ATOM 0 HA PRO A 116 -14.293 0.067 6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.602 1.312 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.707 1.942 7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -15.689 0.792 9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -16.457 0.489 8.384 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -14.614 -1.315 9.964 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -16.027 -1.746 9.021 1.00 0.00 H new ATOM 1831 N GLN A 117 -11.961 1.223 6.339 1.00 0.00 N ATOM 1832 CA GLN A 117 -10.550 1.585 6.093 1.00 0.00 C ATOM 1833 C GLN A 117 -9.902 2.051 7.406 1.00 0.00 C ATOM 1834 O GLN A 117 -8.892 1.496 7.856 1.00 0.00 O ATOM 1835 CB GLN A 117 -10.461 2.735 5.049 1.00 0.00 C ATOM 1836 CG GLN A 117 -11.226 2.487 3.736 1.00 0.00 C ATOM 1837 CD GLN A 117 -11.258 3.698 2.790 1.00 0.00 C ATOM 1838 OE1 GLN A 117 -11.298 4.913 3.335 1.00 0.00 O flip ATOM 1839 NE2 GLN A 117 -11.289 3.541 1.574 1.00 0.00 N flip ATOM 0 H GLN A 117 -12.625 1.898 5.959 1.00 0.00 H new ATOM 0 HA GLN A 117 -10.027 0.709 5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.841 3.649 5.505 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -9.411 2.909 4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -10.770 1.645 3.216 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.250 2.198 3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.257 2.601 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.347 4.351 0.957 1.00 0.00 H new ATOM 1848 N ALA A 118 -10.527 3.085 7.995 1.00 0.00 N ATOM 1849 CA ALA A 118 -10.042 3.752 9.202 1.00 0.00 C ATOM 1850 C ALA A 118 -11.210 4.516 9.869 1.00 0.00 C ATOM 1851 O ALA A 118 -11.775 4.019 10.866 1.00 0.00 O ATOM 1852 CB ALA A 118 -8.857 4.688 8.868 1.00 0.00 C ATOM 1853 OXT ALA A 118 -11.599 5.593 9.361 1.00 0.00 O ATOM 0 H ALA A 118 -11.395 3.482 7.636 1.00 0.00 H new ATOM 0 HA ALA A 118 -9.671 3.009 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.510 5.175 9.779 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -8.044 4.105 8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.181 5.444 8.153 1.00 0.00 H new TER 1859 ALA A 118