USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 837 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 GLN : amide:sc= -0.949 K(o=-0.95,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -128:sc= -0.057 (180deg=-0.107) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 7 SER OG : rot 36:sc= 0.269 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.775 F(o=-2!,f=-0.77) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 119:sc= 0.00693 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -32:sc= -0.0664 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 50 SER OG : rot -57:sc= 0.168 USER MOD Single : A 51 ASN : amide:sc= -0.301 K(o=-0.3,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.3) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= -0.0362 (180deg=-0.233) USER MOD Single : A 69 TYR OH : rot -83:sc= 1.22 USER MOD Single : A 76 THR OG1 : rot -61:sc= 0.0567 USER MOD Single : A 81 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0474) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.175 F(o=-0.68,f=-0.17) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 141:sc= -0.0863 (180deg=-0.852) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.548 -6.041 -0.843 1.00 0.00 N ATOM 2 CA MET A 1 2.410 -5.583 -2.249 1.00 0.00 C ATOM 3 C MET A 1 0.945 -5.427 -2.638 1.00 0.00 C ATOM 4 O MET A 1 0.330 -6.352 -3.167 1.00 0.00 O ATOM 5 CB MET A 1 3.091 -6.601 -3.165 1.00 0.00 C ATOM 6 CG MET A 1 4.593 -6.406 -3.280 1.00 0.00 C ATOM 7 SD MET A 1 5.062 -5.486 -4.758 1.00 0.00 S ATOM 8 CE MET A 1 6.424 -4.505 -4.130 1.00 0.00 C ATOM 0 H1 MET A 1 3.556 -6.138 -0.607 1.00 0.00 H new ATOM 0 H2 MET A 1 2.109 -5.345 -0.207 1.00 0.00 H new ATOM 0 H3 MET A 1 2.076 -6.961 -0.730 1.00 0.00 H new ATOM 0 HA MET A 1 2.884 -4.607 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.891 -7.605 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.648 -6.537 -4.159 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.956 -5.878 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.082 -7.380 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.822 -3.881 -4.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.071 -3.871 -3.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.209 -5.166 -3.761 1.00 0.00 H new ATOM 20 N VAL A 2 0.392 -4.248 -2.375 1.00 0.00 N ATOM 21 CA VAL A 2 -1.000 -3.970 -2.700 1.00 0.00 C ATOM 22 C VAL A 2 -1.129 -3.470 -4.133 1.00 0.00 C ATOM 23 O VAL A 2 -0.252 -2.767 -4.636 1.00 0.00 O ATOM 24 CB VAL A 2 -1.602 -2.925 -1.735 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.070 -2.659 -2.054 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.438 -3.378 -0.291 1.00 0.00 C ATOM 0 H VAL A 2 0.887 -3.471 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.552 -4.904 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.059 -1.990 -1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.465 -1.919 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.158 -2.282 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.637 -3.585 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.867 -2.630 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.950 -4.329 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.378 -3.499 -0.066 1.00 0.00 H new ATOM 36 N LYS A 3 -2.221 -3.843 -4.793 1.00 0.00 N ATOM 37 CA LYS A 3 -2.446 -3.434 -6.167 1.00 0.00 C ATOM 38 C LYS A 3 -3.928 -3.208 -6.412 1.00 0.00 C ATOM 39 O LYS A 3 -4.749 -4.102 -6.212 1.00 0.00 O ATOM 40 CB LYS A 3 -1.913 -4.495 -7.136 1.00 0.00 C ATOM 41 CG LYS A 3 -2.267 -5.924 -6.742 1.00 0.00 C ATOM 42 CD LYS A 3 -1.044 -6.829 -6.761 1.00 0.00 C ATOM 43 CE LYS A 3 -0.520 -7.034 -8.174 1.00 0.00 C ATOM 44 NZ LYS A 3 -1.009 -8.307 -8.772 1.00 0.00 N ATOM 0 H LYS A 3 -2.959 -4.425 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.911 -2.500 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.308 -4.295 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.829 -4.404 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.708 -5.929 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.020 -6.315 -7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.260 -6.395 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.298 -7.794 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.829 -6.197 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.570 -7.036 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.202 -8.852 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.504 -8.864 -8.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.663 -8.095 -9.552 1.00 0.00 H new ATOM 58 N GLN A 4 -4.265 -1.998 -6.833 1.00 0.00 N ATOM 59 CA GLN A 4 -5.649 -1.652 -7.095 1.00 0.00 C ATOM 60 C GLN A 4 -6.115 -2.307 -8.393 1.00 0.00 C ATOM 61 O GLN A 4 -5.449 -2.206 -9.423 1.00 0.00 O ATOM 62 CB GLN A 4 -5.811 -0.132 -7.168 1.00 0.00 C ATOM 63 CG GLN A 4 -7.222 0.319 -7.510 1.00 0.00 C ATOM 64 CD GLN A 4 -7.696 1.465 -6.636 1.00 0.00 C ATOM 65 OE1 GLN A 4 -6.962 2.423 -6.397 1.00 0.00 O ATOM 66 NE2 GLN A 4 -8.930 1.370 -6.155 1.00 0.00 N ATOM 0 H GLN A 4 -3.599 -1.243 -6.999 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.268 -2.023 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.523 0.301 -6.210 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.122 0.262 -7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.258 0.625 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.905 -0.523 -7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.504 0.557 -6.379 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.304 2.110 -5.561 1.00 0.00 H new ATOM 75 N ILE A 5 -7.257 -2.977 -8.335 1.00 0.00 N ATOM 76 CA ILE A 5 -7.810 -3.653 -9.504 1.00 0.00 C ATOM 77 C ILE A 5 -8.961 -2.837 -10.095 1.00 0.00 C ATOM 78 O ILE A 5 -10.040 -2.746 -9.509 1.00 0.00 O ATOM 79 CB ILE A 5 -8.262 -5.095 -9.141 1.00 0.00 C ATOM 80 CG1 ILE A 5 -7.115 -6.090 -9.376 1.00 0.00 C ATOM 81 CG2 ILE A 5 -9.491 -5.521 -9.934 1.00 0.00 C ATOM 82 CD1 ILE A 5 -5.752 -5.589 -8.939 1.00 0.00 C ATOM 0 H ILE A 5 -7.821 -3.068 -7.490 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.032 -3.734 -10.263 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.531 -5.096 -8.085 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.337 -7.014 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.075 -6.336 -10.437 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.774 -6.535 -9.650 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.316 -4.841 -9.720 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.264 -5.493 -11.000 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.002 -6.353 -9.141 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.504 -4.682 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.770 -5.371 -7.871 1.00 0.00 H new ATOM 94 N GLU A 6 -8.716 -2.236 -11.258 1.00 0.00 N ATOM 95 CA GLU A 6 -9.722 -1.420 -11.930 1.00 0.00 C ATOM 96 C GLU A 6 -10.410 -2.174 -13.065 1.00 0.00 C ATOM 97 O GLU A 6 -10.997 -1.561 -13.957 1.00 0.00 O ATOM 98 CB GLU A 6 -9.089 -0.135 -12.471 1.00 0.00 C ATOM 99 CG GLU A 6 -9.113 1.021 -11.483 1.00 0.00 C ATOM 100 CD GLU A 6 -8.470 2.276 -12.040 1.00 0.00 C ATOM 101 OE1 GLU A 6 -8.485 2.452 -13.277 1.00 0.00 O ATOM 102 OE2 GLU A 6 -7.952 3.083 -11.239 1.00 0.00 O ATOM 0 H GLU A 6 -7.827 -2.300 -11.754 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.481 -1.171 -11.189 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.056 -0.340 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.613 0.164 -13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.145 1.237 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.595 0.726 -10.571 1.00 0.00 H new ATOM 109 N SER A 7 -10.333 -3.497 -13.038 1.00 0.00 N ATOM 110 CA SER A 7 -10.952 -4.310 -14.081 1.00 0.00 C ATOM 111 C SER A 7 -11.270 -5.711 -13.568 1.00 0.00 C ATOM 112 O SER A 7 -10.701 -6.166 -12.574 1.00 0.00 O ATOM 113 CB SER A 7 -10.033 -4.389 -15.302 1.00 0.00 C ATOM 114 OG SER A 7 -10.357 -3.385 -16.249 1.00 0.00 O ATOM 0 H SER A 7 -9.853 -4.029 -12.312 1.00 0.00 H new ATOM 0 HA SER A 7 -11.889 -3.835 -14.371 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.995 -4.276 -14.988 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.121 -5.372 -15.765 1.00 0.00 H new ATOM 0 HG SER A 7 -10.637 -2.571 -15.780 1.00 0.00 H new ATOM 120 N LYS A 8 -12.179 -6.396 -14.258 1.00 0.00 N ATOM 121 CA LYS A 8 -12.572 -7.747 -13.874 1.00 0.00 C ATOM 122 C LYS A 8 -11.452 -8.744 -14.158 1.00 0.00 C ATOM 123 O LYS A 8 -11.335 -9.768 -13.485 1.00 0.00 O ATOM 124 CB LYS A 8 -13.844 -8.158 -14.623 1.00 0.00 C ATOM 125 CG LYS A 8 -14.269 -9.598 -14.371 1.00 0.00 C ATOM 126 CD LYS A 8 -14.089 -10.458 -15.613 1.00 0.00 C ATOM 127 CE LYS A 8 -13.428 -11.787 -15.281 1.00 0.00 C ATOM 128 NZ LYS A 8 -12.447 -12.197 -16.324 1.00 0.00 N ATOM 0 H LYS A 8 -12.656 -6.037 -15.085 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.770 -7.752 -12.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.657 -7.493 -14.331 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.686 -8.018 -15.692 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.683 -10.013 -13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.313 -9.621 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.059 -10.639 -16.075 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.483 -9.922 -16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.923 -11.710 -14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.193 -12.557 -15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.019 -13.107 -16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.933 -12.295 -17.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.703 -11.475 -16.404 1.00 0.00 H new ATOM 142 N THR A 9 -10.633 -8.442 -15.161 1.00 0.00 N ATOM 143 CA THR A 9 -9.527 -9.318 -15.532 1.00 0.00 C ATOM 144 C THR A 9 -8.342 -9.129 -14.592 1.00 0.00 C ATOM 145 O THR A 9 -7.577 -10.062 -14.347 1.00 0.00 O ATOM 146 CB THR A 9 -9.098 -9.055 -16.976 1.00 0.00 C ATOM 147 OG1 THR A 9 -10.209 -8.666 -17.765 1.00 0.00 O ATOM 148 CG2 THR A 9 -8.464 -10.259 -17.637 1.00 0.00 C ATOM 0 H THR A 9 -10.714 -7.599 -15.730 1.00 0.00 H new ATOM 0 HA THR A 9 -9.872 -10.349 -15.448 1.00 0.00 H new ATOM 0 HB THR A 9 -8.356 -8.258 -16.919 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.915 -8.500 -18.685 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.182 -10.007 -18.659 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.576 -10.555 -17.078 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.176 -11.084 -17.650 1.00 0.00 H new ATOM 156 N ALA A 10 -8.191 -7.916 -14.071 1.00 0.00 N ATOM 157 CA ALA A 10 -7.094 -7.614 -13.160 1.00 0.00 C ATOM 158 C ALA A 10 -7.248 -8.389 -11.856 1.00 0.00 C ATOM 159 O ALA A 10 -6.271 -8.902 -11.312 1.00 0.00 O ATOM 160 CB ALA A 10 -7.021 -6.117 -12.895 1.00 0.00 C ATOM 0 H ALA A 10 -8.812 -7.130 -14.263 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.160 -7.925 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.197 -5.908 -12.213 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.858 -5.589 -13.834 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.956 -5.781 -12.448 1.00 0.00 H new ATOM 166 N PHE A 11 -8.484 -8.498 -11.369 1.00 0.00 N ATOM 167 CA PHE A 11 -8.753 -9.231 -10.133 1.00 0.00 C ATOM 168 C PHE A 11 -8.265 -10.668 -10.260 1.00 0.00 C ATOM 169 O PHE A 11 -7.622 -11.200 -9.355 1.00 0.00 O ATOM 170 CB PHE A 11 -10.252 -9.203 -9.808 1.00 0.00 C ATOM 171 CG PHE A 11 -10.563 -9.483 -8.364 1.00 0.00 C ATOM 172 CD1 PHE A 11 -9.830 -8.878 -7.354 1.00 0.00 C ATOM 173 CD2 PHE A 11 -11.583 -10.354 -8.015 1.00 0.00 C ATOM 174 CE1 PHE A 11 -10.107 -9.137 -6.027 1.00 0.00 C ATOM 175 CE2 PHE A 11 -11.865 -10.615 -6.687 1.00 0.00 C ATOM 176 CZ PHE A 11 -11.126 -10.007 -5.692 1.00 0.00 C ATOM 0 H PHE A 11 -9.310 -8.091 -11.808 1.00 0.00 H new ATOM 0 HA PHE A 11 -8.215 -8.748 -9.317 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.654 -8.225 -10.074 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.763 -9.938 -10.430 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.033 -8.196 -7.609 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.164 -10.834 -8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -9.527 -8.660 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.663 -11.295 -6.428 1.00 0.00 H new ATOM 0 HZ PHE A 11 -11.344 -10.211 -4.654 1.00 0.00 H new ATOM 186 N GLN A 12 -8.547 -11.281 -11.405 1.00 0.00 N ATOM 187 CA GLN A 12 -8.106 -12.645 -11.658 1.00 0.00 C ATOM 188 C GLN A 12 -6.583 -12.686 -11.724 1.00 0.00 C ATOM 189 O GLN A 12 -5.946 -13.572 -11.156 1.00 0.00 O ATOM 190 CB GLN A 12 -8.701 -13.179 -12.964 1.00 0.00 C ATOM 191 CG GLN A 12 -10.224 -13.174 -13.006 1.00 0.00 C ATOM 192 CD GLN A 12 -10.871 -13.801 -11.779 1.00 0.00 C ATOM 193 OE1 GLN A 12 -10.172 -14.728 -11.129 1.00 0.00 O flip ATOM 194 NE2 GLN A 12 -11.994 -13.451 -11.417 1.00 0.00 N flip ATOM 0 H GLN A 12 -9.076 -10.857 -12.167 1.00 0.00 H new ATOM 0 HA GLN A 12 -8.453 -13.279 -10.842 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.324 -12.580 -13.793 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.348 -14.198 -13.121 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -10.573 -12.146 -13.105 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.556 -13.710 -13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.499 -12.737 -11.941 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.419 -13.875 -10.593 1.00 0.00 H new ATOM 203 N GLU A 13 -6.008 -11.710 -12.426 1.00 0.00 N ATOM 204 CA GLU A 13 -4.560 -11.617 -12.581 1.00 0.00 C ATOM 205 C GLU A 13 -3.863 -11.515 -11.228 1.00 0.00 C ATOM 206 O GLU A 13 -2.875 -12.205 -10.976 1.00 0.00 O ATOM 207 CB GLU A 13 -4.198 -10.404 -13.441 1.00 0.00 C ATOM 208 CG GLU A 13 -4.339 -10.652 -14.934 1.00 0.00 C ATOM 209 CD GLU A 13 -3.736 -9.540 -15.769 1.00 0.00 C ATOM 210 OE1 GLU A 13 -4.256 -8.406 -15.714 1.00 0.00 O ATOM 211 OE2 GLU A 13 -2.742 -9.802 -16.479 1.00 0.00 O ATOM 0 H GLU A 13 -6.528 -10.970 -12.898 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.218 -12.527 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.835 -9.566 -13.159 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.171 -10.110 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.856 -11.595 -15.189 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.395 -10.757 -15.183 1.00 0.00 H new ATOM 218 N ALA A 14 -4.382 -10.655 -10.357 1.00 0.00 N ATOM 219 CA ALA A 14 -3.803 -10.476 -9.032 1.00 0.00 C ATOM 220 C ALA A 14 -3.955 -11.745 -8.205 1.00 0.00 C ATOM 221 O ALA A 14 -3.107 -12.065 -7.371 1.00 0.00 O ATOM 222 CB ALA A 14 -4.455 -9.299 -8.322 1.00 0.00 C ATOM 0 H ALA A 14 -5.199 -10.074 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.740 -10.266 -9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.011 -9.179 -7.334 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.297 -8.391 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.524 -9.483 -8.219 1.00 0.00 H new ATOM 228 N LEU A 15 -5.042 -12.468 -8.447 1.00 0.00 N ATOM 229 CA LEU A 15 -5.314 -13.709 -7.733 1.00 0.00 C ATOM 230 C LEU A 15 -4.306 -14.789 -8.124 1.00 0.00 C ATOM 231 O LEU A 15 -3.848 -15.568 -7.282 1.00 0.00 O ATOM 232 CB LEU A 15 -6.740 -14.178 -8.029 1.00 0.00 C ATOM 233 CG LEU A 15 -7.818 -13.569 -7.129 1.00 0.00 C ATOM 234 CD1 LEU A 15 -9.205 -13.892 -7.663 1.00 0.00 C ATOM 235 CD2 LEU A 15 -7.662 -14.073 -5.703 1.00 0.00 C ATOM 0 H LEU A 15 -5.751 -12.215 -9.135 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.216 -13.525 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.977 -13.941 -9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.777 -15.263 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.697 -12.486 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.958 -13.451 -7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.312 -13.484 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.340 -14.973 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -8.435 -13.632 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.758 -15.159 -5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.680 -13.791 -5.323 1.00 0.00 H new ATOM 247 N ASP A 16 -3.951 -14.820 -9.406 1.00 0.00 N ATOM 248 CA ASP A 16 -2.992 -15.796 -9.908 1.00 0.00 C ATOM 249 C ASP A 16 -1.646 -15.623 -9.215 1.00 0.00 C ATOM 250 O ASP A 16 -0.950 -16.599 -8.936 1.00 0.00 O ATOM 251 CB ASP A 16 -2.822 -15.648 -11.422 1.00 0.00 C ATOM 252 CG ASP A 16 -4.131 -15.810 -12.171 1.00 0.00 C ATOM 253 OD1 ASP A 16 -4.907 -16.723 -11.819 1.00 0.00 O ATOM 254 OD2 ASP A 16 -4.381 -15.022 -13.107 1.00 0.00 O ATOM 0 H ASP A 16 -4.313 -14.181 -10.114 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.374 -16.794 -9.693 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.399 -14.668 -11.643 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.108 -16.391 -11.779 1.00 0.00 H new ATOM 259 N ALA A 17 -1.298 -14.375 -8.917 1.00 0.00 N ATOM 260 CA ALA A 17 -0.050 -14.073 -8.229 1.00 0.00 C ATOM 261 C ALA A 17 -0.162 -14.398 -6.741 1.00 0.00 C ATOM 262 O ALA A 17 0.844 -14.616 -6.066 1.00 0.00 O ATOM 263 CB ALA A 17 0.328 -12.613 -8.428 1.00 0.00 C ATOM 0 H ALA A 17 -1.864 -13.557 -9.142 1.00 0.00 H new ATOM 0 HA ALA A 17 0.736 -14.695 -8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.263 -12.405 -7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.453 -12.411 -9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.460 -11.975 -8.028 1.00 0.00 H new ATOM 269 N ALA A 18 -1.396 -14.431 -6.240 1.00 0.00 N ATOM 270 CA ALA A 18 -1.644 -14.730 -4.835 1.00 0.00 C ATOM 271 C ALA A 18 -1.253 -16.163 -4.505 1.00 0.00 C ATOM 272 O ALA A 18 -0.769 -16.438 -3.407 1.00 0.00 O ATOM 273 CB ALA A 18 -3.101 -14.472 -4.486 1.00 0.00 C ATOM 0 H ALA A 18 -2.238 -14.254 -6.788 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.024 -14.068 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.269 -14.700 -3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.340 -13.425 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.740 -15.105 -5.101 1.00 0.00 H new ATOM 279 N GLY A 19 -1.445 -17.081 -5.454 1.00 0.00 N ATOM 280 CA GLY A 19 -1.080 -18.466 -5.220 1.00 0.00 C ATOM 281 C GLY A 19 -1.745 -19.061 -3.996 1.00 0.00 C ATOM 282 O GLY A 19 -2.970 -19.070 -3.889 1.00 0.00 O ATOM 0 H GLY A 19 -1.844 -16.889 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.348 -19.058 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.002 -18.536 -5.107 1.00 0.00 H new ATOM 286 N ASP A 20 -0.933 -19.566 -3.074 1.00 0.00 N ATOM 287 CA ASP A 20 -1.451 -20.174 -1.857 1.00 0.00 C ATOM 288 C ASP A 20 -1.503 -19.169 -0.711 1.00 0.00 C ATOM 289 O ASP A 20 -1.828 -19.526 0.421 1.00 0.00 O ATOM 290 CB ASP A 20 -0.594 -21.376 -1.458 1.00 0.00 C ATOM 291 CG ASP A 20 -1.402 -22.462 -0.777 1.00 0.00 C ATOM 292 OD1 ASP A 20 -1.991 -22.183 0.288 1.00 0.00 O ATOM 293 OD2 ASP A 20 -1.448 -23.590 -1.310 1.00 0.00 O ATOM 0 H ASP A 20 0.084 -19.566 -3.147 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.468 -20.509 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.114 -21.787 -2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.201 -21.046 -0.790 1.00 0.00 H new ATOM 298 N LYS A 21 -1.207 -17.907 -1.010 1.00 0.00 N ATOM 299 CA LYS A 21 -1.244 -16.862 -0.005 1.00 0.00 C ATOM 300 C LYS A 21 -2.682 -16.428 0.230 1.00 0.00 C ATOM 301 O LYS A 21 -3.505 -16.468 -0.683 1.00 0.00 O ATOM 302 CB LYS A 21 -0.408 -15.659 -0.452 1.00 0.00 C ATOM 303 CG LYS A 21 1.078 -15.953 -0.562 1.00 0.00 C ATOM 304 CD LYS A 21 1.769 -14.967 -1.490 1.00 0.00 C ATOM 305 CE LYS A 21 3.190 -15.403 -1.811 1.00 0.00 C ATOM 306 NZ LYS A 21 3.774 -14.613 -2.929 1.00 0.00 N ATOM 0 H LYS A 21 -0.940 -17.589 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.826 -17.253 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.773 -15.314 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.556 -14.843 0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.534 -15.906 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.224 -16.968 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.198 -14.875 -2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.786 -13.981 -1.026 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.813 -15.292 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.195 -16.461 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.743 -14.941 -3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.194 -14.739 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.794 -13.606 -2.669 1.00 0.00 H new ATOM 320 N LEU A 22 -2.978 -15.994 1.442 1.00 0.00 N ATOM 321 CA LEU A 22 -4.319 -15.534 1.766 1.00 0.00 C ATOM 322 C LEU A 22 -4.526 -14.146 1.177 1.00 0.00 C ATOM 323 O LEU A 22 -3.658 -13.282 1.295 1.00 0.00 O ATOM 324 CB LEU A 22 -4.531 -15.516 3.285 1.00 0.00 C ATOM 325 CG LEU A 22 -5.810 -14.820 3.769 1.00 0.00 C ATOM 326 CD1 LEU A 22 -7.003 -15.211 2.907 1.00 0.00 C ATOM 327 CD2 LEU A 22 -6.076 -15.156 5.227 1.00 0.00 C ATOM 0 H LEU A 22 -2.314 -15.950 2.215 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.050 -16.219 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.541 -16.545 3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.675 -15.025 3.747 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.666 -13.743 3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.897 -14.704 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.816 -14.919 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.151 -16.290 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.986 -14.655 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.196 -16.234 5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.237 -14.821 5.837 1.00 0.00 H new ATOM 339 N VAL A 23 -5.657 -13.939 0.517 1.00 0.00 N ATOM 340 CA VAL A 23 -5.933 -12.655 -0.107 1.00 0.00 C ATOM 341 C VAL A 23 -7.063 -11.915 0.588 1.00 0.00 C ATOM 342 O VAL A 23 -8.227 -12.308 0.520 1.00 0.00 O ATOM 343 CB VAL A 23 -6.273 -12.811 -1.601 1.00 0.00 C ATOM 344 CG1 VAL A 23 -6.214 -11.462 -2.305 1.00 0.00 C ATOM 345 CG2 VAL A 23 -5.334 -13.807 -2.269 1.00 0.00 C ATOM 0 H VAL A 23 -6.391 -14.637 0.401 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.019 -12.069 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.289 -13.198 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.457 -11.591 -3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.932 -10.781 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.211 -11.047 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.593 -13.901 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.306 -13.456 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.429 -14.779 -1.784 1.00 0.00 H new ATOM 355 N VAL A 24 -6.703 -10.820 1.242 1.00 0.00 N ATOM 356 CA VAL A 24 -7.670 -9.988 1.930 1.00 0.00 C ATOM 357 C VAL A 24 -7.882 -8.723 1.119 1.00 0.00 C ATOM 358 O VAL A 24 -6.965 -7.921 0.948 1.00 0.00 O ATOM 359 CB VAL A 24 -7.206 -9.629 3.356 1.00 0.00 C ATOM 360 CG1 VAL A 24 -5.855 -8.929 3.323 1.00 0.00 C ATOM 361 CG2 VAL A 24 -8.247 -8.770 4.063 1.00 0.00 C ATOM 0 H VAL A 24 -5.741 -10.488 1.309 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.603 -10.543 2.025 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.093 -10.555 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.547 -8.685 4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -5.115 -9.587 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -5.934 -8.013 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.899 -8.529 5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.401 -7.849 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.188 -9.317 4.127 1.00 0.00 H new ATOM 371 N VAL A 25 -9.084 -8.563 0.589 1.00 0.00 N ATOM 372 CA VAL A 25 -9.391 -7.412 -0.244 1.00 0.00 C ATOM 373 C VAL A 25 -10.594 -6.631 0.280 1.00 0.00 C ATOM 374 O VAL A 25 -11.327 -7.098 1.153 1.00 0.00 O ATOM 375 CB VAL A 25 -9.631 -7.849 -1.702 1.00 0.00 C ATOM 376 CG1 VAL A 25 -8.314 -8.175 -2.379 1.00 0.00 C ATOM 377 CG2 VAL A 25 -10.541 -9.057 -1.762 1.00 0.00 C ATOM 0 H VAL A 25 -9.860 -9.212 0.720 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.528 -6.747 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.111 -7.021 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.500 -8.482 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.674 -7.293 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.820 -8.985 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.695 -9.345 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.084 -9.884 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.501 -8.812 -1.308 1.00 0.00 H new ATOM 387 N ASP A 26 -10.780 -5.429 -0.255 1.00 0.00 N ATOM 388 CA ASP A 26 -11.879 -4.567 0.165 1.00 0.00 C ATOM 389 C ASP A 26 -12.607 -3.948 -1.024 1.00 0.00 C ATOM 390 O ASP A 26 -11.981 -3.417 -1.940 1.00 0.00 O ATOM 391 CB ASP A 26 -11.358 -3.459 1.079 1.00 0.00 C ATOM 392 CG ASP A 26 -12.477 -2.702 1.768 1.00 0.00 C ATOM 393 OD1 ASP A 26 -13.584 -2.627 1.196 1.00 0.00 O ATOM 394 OD2 ASP A 26 -12.244 -2.183 2.880 1.00 0.00 O ATOM 0 H ASP A 26 -10.184 -5.030 -0.980 1.00 0.00 H new ATOM 0 HA ASP A 26 -12.591 -5.190 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.700 -3.893 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.758 -2.762 0.494 1.00 0.00 H new ATOM 399 N PHE A 27 -13.935 -3.986 -0.974 1.00 0.00 N ATOM 400 CA PHE A 27 -14.770 -3.401 -2.022 1.00 0.00 C ATOM 401 C PHE A 27 -15.211 -2.000 -1.595 1.00 0.00 C ATOM 402 O PHE A 27 -16.017 -1.855 -0.673 1.00 0.00 O ATOM 403 CB PHE A 27 -15.989 -4.287 -2.283 1.00 0.00 C ATOM 404 CG PHE A 27 -15.757 -5.268 -3.392 1.00 0.00 C ATOM 405 CD1 PHE A 27 -14.978 -6.395 -3.181 1.00 0.00 C ATOM 406 CD2 PHE A 27 -16.288 -5.049 -4.653 1.00 0.00 C ATOM 407 CE1 PHE A 27 -14.732 -7.287 -4.209 1.00 0.00 C ATOM 408 CE2 PHE A 27 -16.051 -5.941 -5.684 1.00 0.00 C ATOM 409 CZ PHE A 27 -15.270 -7.061 -5.461 1.00 0.00 C ATOM 0 H PHE A 27 -14.460 -4.418 -0.214 1.00 0.00 H new ATOM 0 HA PHE A 27 -14.195 -3.330 -2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -16.244 -4.827 -1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.845 -3.659 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.558 -6.579 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -16.893 -4.173 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -14.120 -8.159 -4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.475 -5.763 -6.661 1.00 0.00 H new ATOM 0 HZ PHE A 27 -15.081 -7.757 -6.265 1.00 0.00 H new ATOM 419 N SER A 28 -14.663 -0.972 -2.240 1.00 0.00 N ATOM 420 CA SER A 28 -14.989 0.408 -1.886 1.00 0.00 C ATOM 421 C SER A 28 -15.701 1.146 -3.019 1.00 0.00 C ATOM 422 O SER A 28 -16.109 0.550 -4.014 1.00 0.00 O ATOM 423 CB SER A 28 -13.713 1.162 -1.500 1.00 0.00 C ATOM 424 OG SER A 28 -12.948 1.492 -2.646 1.00 0.00 O ATOM 0 H SER A 28 -13.996 -1.067 -3.005 1.00 0.00 H new ATOM 0 HA SER A 28 -15.673 0.372 -1.038 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.974 2.072 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.116 0.550 -0.824 1.00 0.00 H new ATOM 0 HG SER A 28 -12.140 1.974 -2.372 1.00 0.00 H new ATOM 430 N ALA A 29 -15.828 2.460 -2.846 1.00 0.00 N ATOM 431 CA ALA A 29 -16.471 3.322 -3.831 1.00 0.00 C ATOM 432 C ALA A 29 -15.903 4.736 -3.752 1.00 0.00 C ATOM 433 O ALA A 29 -15.439 5.163 -2.695 1.00 0.00 O ATOM 434 CB ALA A 29 -17.980 3.336 -3.620 1.00 0.00 C ATOM 0 H ALA A 29 -15.489 2.954 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.267 2.926 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -18.445 3.984 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -18.371 2.324 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -18.204 3.710 -2.621 1.00 0.00 H new ATOM 440 N THR A 30 -15.978 5.478 -4.852 1.00 0.00 N ATOM 441 CA THR A 30 -15.502 6.858 -4.867 1.00 0.00 C ATOM 442 C THR A 30 -16.453 7.734 -4.059 1.00 0.00 C ATOM 443 O THR A 30 -16.041 8.666 -3.369 1.00 0.00 O ATOM 444 CB THR A 30 -15.394 7.377 -6.302 1.00 0.00 C ATOM 445 OG1 THR A 30 -14.849 6.384 -7.155 1.00 0.00 O ATOM 446 CG2 THR A 30 -14.532 8.615 -6.429 1.00 0.00 C ATOM 0 H THR A 30 -16.361 5.151 -5.739 1.00 0.00 H new ATOM 0 HA THR A 30 -14.509 6.894 -4.418 1.00 0.00 H new ATOM 0 HB THR A 30 -16.413 7.633 -6.593 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.500 6.159 -7.852 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.498 8.929 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.954 9.416 -5.822 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.522 8.392 -6.085 1.00 0.00 H new ATOM 454 N TRP A 31 -17.737 7.409 -4.171 1.00 0.00 N ATOM 455 CA TRP A 31 -18.804 8.137 -3.483 1.00 0.00 C ATOM 456 C TRP A 31 -19.054 7.577 -2.077 1.00 0.00 C ATOM 457 O TRP A 31 -20.057 7.909 -1.444 1.00 0.00 O ATOM 458 CB TRP A 31 -20.091 8.020 -4.306 1.00 0.00 C ATOM 459 CG TRP A 31 -20.591 6.608 -4.377 1.00 0.00 C ATOM 460 CD1 TRP A 31 -20.162 5.621 -5.222 1.00 0.00 C ATOM 461 CD2 TRP A 31 -21.603 6.019 -3.554 1.00 0.00 C ATOM 462 NE1 TRP A 31 -20.841 4.454 -4.962 1.00 0.00 N ATOM 463 CE2 TRP A 31 -21.729 4.675 -3.946 1.00 0.00 C ATOM 464 CE3 TRP A 31 -22.409 6.496 -2.518 1.00 0.00 C ATOM 465 CZ2 TRP A 31 -22.628 3.804 -3.342 1.00 0.00 C ATOM 466 CZ3 TRP A 31 -23.303 5.630 -1.917 1.00 0.00 C ATOM 467 CH2 TRP A 31 -23.405 4.297 -2.333 1.00 0.00 C ATOM 0 H TRP A 31 -18.070 6.632 -4.742 1.00 0.00 H new ATOM 0 HA TRP A 31 -18.500 9.179 -3.382 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -20.860 8.655 -3.866 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -19.910 8.391 -5.315 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -19.403 5.741 -5.981 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -20.704 3.568 -5.448 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -22.335 7.523 -2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -22.709 2.775 -3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -23.932 5.987 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -24.114 3.644 -1.845 1.00 0.00 H new ATOM 478 N CYS A 32 -18.159 6.713 -1.601 1.00 0.00 N ATOM 479 CA CYS A 32 -18.316 6.111 -0.282 1.00 0.00 C ATOM 480 C CYS A 32 -17.622 6.922 0.806 1.00 0.00 C ATOM 481 O CYS A 32 -16.678 7.667 0.540 1.00 0.00 O ATOM 482 CB CYS A 32 -17.784 4.677 -0.282 1.00 0.00 C ATOM 483 SG CYS A 32 -18.295 3.699 1.170 1.00 0.00 S ATOM 0 H CYS A 32 -17.324 6.417 -2.106 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.383 6.102 -0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.126 4.173 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.695 4.704 -0.325 1.00 0.00 H new ATOM 488 N GLY A 33 -18.099 6.757 2.036 1.00 0.00 N ATOM 489 CA GLY A 33 -17.525 7.465 3.165 1.00 0.00 C ATOM 490 C GLY A 33 -16.671 6.569 4.045 1.00 0.00 C ATOM 491 O GLY A 33 -15.442 6.646 3.999 1.00 0.00 O ATOM 0 H GLY A 33 -18.878 6.142 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.918 8.293 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.327 7.898 3.763 1.00 0.00 H new ATOM 495 N PRO A 34 -17.293 5.703 4.868 1.00 0.00 N ATOM 496 CA PRO A 34 -16.564 4.795 5.761 1.00 0.00 C ATOM 497 C PRO A 34 -15.568 3.912 5.013 1.00 0.00 C ATOM 498 O PRO A 34 -14.628 3.384 5.608 1.00 0.00 O ATOM 499 CB PRO A 34 -17.667 3.936 6.400 1.00 0.00 C ATOM 500 CG PRO A 34 -18.877 4.153 5.556 1.00 0.00 C ATOM 501 CD PRO A 34 -18.748 5.541 4.997 1.00 0.00 C ATOM 0 HA PRO A 34 -15.966 5.346 6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -17.384 2.883 6.418 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -17.849 4.235 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.933 3.414 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -19.788 4.053 6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.253 5.639 4.036 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.181 6.288 5.663 1.00 0.00 H new ATOM 509 N CYS A 35 -15.778 3.753 3.709 1.00 0.00 N ATOM 510 CA CYS A 35 -14.893 2.932 2.890 1.00 0.00 C ATOM 511 C CYS A 35 -13.461 3.455 2.950 1.00 0.00 C ATOM 512 O CYS A 35 -12.510 2.685 3.083 1.00 0.00 O ATOM 513 CB CYS A 35 -15.372 2.916 1.437 1.00 0.00 C ATOM 514 SG CYS A 35 -16.999 2.134 1.192 1.00 0.00 S ATOM 0 H CYS A 35 -16.551 4.181 3.199 1.00 0.00 H new ATOM 0 HA CYS A 35 -14.914 1.917 3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.416 3.941 1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.635 2.391 0.829 1.00 0.00 H new ATOM 519 N LYS A 36 -13.319 4.772 2.851 1.00 0.00 N ATOM 520 CA LYS A 36 -12.009 5.410 2.894 1.00 0.00 C ATOM 521 C LYS A 36 -11.376 5.297 4.280 1.00 0.00 C ATOM 522 O LYS A 36 -10.161 5.433 4.429 1.00 0.00 O ATOM 523 CB LYS A 36 -12.130 6.882 2.496 1.00 0.00 C ATOM 524 CG LYS A 36 -12.215 7.098 0.994 1.00 0.00 C ATOM 525 CD LYS A 36 -13.160 8.237 0.646 1.00 0.00 C ATOM 526 CE LYS A 36 -12.530 9.589 0.932 1.00 0.00 C ATOM 527 NZ LYS A 36 -13.155 10.674 0.127 1.00 0.00 N ATOM 0 H LYS A 36 -14.098 5.421 2.740 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.362 4.893 2.185 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.017 7.306 2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.271 7.428 2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.222 7.315 0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.556 6.181 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.432 8.177 -0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.081 8.135 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.631 9.820 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.463 9.545 0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.697 11.580 0.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.037 10.467 -0.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.169 10.733 0.352 1.00 0.00 H new ATOM 541 N MET A 37 -12.202 5.049 5.292 1.00 0.00 N ATOM 542 CA MET A 37 -11.715 4.924 6.662 1.00 0.00 C ATOM 543 C MET A 37 -10.933 3.628 6.859 1.00 0.00 C ATOM 544 O MET A 37 -10.098 3.533 7.758 1.00 0.00 O ATOM 545 CB MET A 37 -12.879 4.988 7.653 1.00 0.00 C ATOM 546 CG MET A 37 -13.644 6.301 7.612 1.00 0.00 C ATOM 547 SD MET A 37 -14.645 6.569 9.088 1.00 0.00 S ATOM 548 CE MET A 37 -14.710 8.358 9.134 1.00 0.00 C ATOM 0 H MET A 37 -13.210 4.931 5.190 1.00 0.00 H new ATOM 0 HA MET A 37 -11.041 5.760 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 37 -13.568 4.170 7.444 1.00 0.00 H new ATOM 0 HB3 MET A 37 -12.495 4.832 8.661 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.939 7.125 7.502 1.00 0.00 H new ATOM 0 HG3 MET A 37 -14.289 6.314 6.733 1.00 0.00 H new ATOM 0 HE1 MET A 37 -15.297 8.679 9.995 1.00 0.00 H new ATOM 0 HE2 MET A 37 -13.699 8.757 9.215 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.174 8.729 8.220 1.00 0.00 H new ATOM 558 N ILE A 38 -11.199 2.630 6.018 1.00 0.00 N ATOM 559 CA ILE A 38 -10.510 1.344 6.117 1.00 0.00 C ATOM 560 C ILE A 38 -9.194 1.354 5.346 1.00 0.00 C ATOM 561 O ILE A 38 -8.289 0.571 5.636 1.00 0.00 O ATOM 562 CB ILE A 38 -11.373 0.192 5.566 1.00 0.00 C ATOM 563 CG1 ILE A 38 -12.820 0.306 6.057 1.00 0.00 C ATOM 564 CG2 ILE A 38 -10.770 -1.147 5.961 1.00 0.00 C ATOM 565 CD1 ILE A 38 -12.992 0.004 7.530 1.00 0.00 C ATOM 0 H ILE A 38 -11.883 2.686 5.264 1.00 0.00 H new ATOM 0 HA ILE A 38 -10.318 1.186 7.178 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.387 0.260 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.183 1.314 5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -13.444 -0.377 5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.387 -1.954 5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.763 -1.227 5.552 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.727 -1.220 7.048 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.043 0.106 7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.661 -1.014 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.396 0.703 8.117 1.00 0.00 H new ATOM 577 N LYS A 39 -9.100 2.232 4.354 1.00 0.00 N ATOM 578 CA LYS A 39 -7.902 2.333 3.524 1.00 0.00 C ATOM 579 C LYS A 39 -6.629 2.448 4.366 1.00 0.00 C ATOM 580 O LYS A 39 -5.681 1.688 4.173 1.00 0.00 O ATOM 581 CB LYS A 39 -8.016 3.530 2.577 1.00 0.00 C ATOM 582 CG LYS A 39 -7.816 3.164 1.115 1.00 0.00 C ATOM 583 CD LYS A 39 -7.738 4.399 0.235 1.00 0.00 C ATOM 584 CE LYS A 39 -7.766 4.035 -1.240 1.00 0.00 C ATOM 585 NZ LYS A 39 -7.832 5.241 -2.111 1.00 0.00 N ATOM 0 H LYS A 39 -9.841 2.887 4.103 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.829 1.414 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.998 3.988 2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.277 4.280 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.901 2.581 1.007 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.638 2.531 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.572 5.063 0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.823 4.949 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.876 3.457 -1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.626 3.396 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.849 4.948 -3.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.695 5.780 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.998 5.839 -1.940 1.00 0.00 H new ATOM 599 N PRO A 40 -6.586 3.408 5.304 1.00 0.00 N ATOM 600 CA PRO A 40 -5.414 3.621 6.161 1.00 0.00 C ATOM 601 C PRO A 40 -4.951 2.350 6.870 1.00 0.00 C ATOM 602 O PRO A 40 -3.759 2.043 6.889 1.00 0.00 O ATOM 603 CB PRO A 40 -5.898 4.655 7.180 1.00 0.00 C ATOM 604 CG PRO A 40 -7.004 5.377 6.495 1.00 0.00 C ATOM 605 CD PRO A 40 -7.667 4.368 5.596 1.00 0.00 C ATOM 0 HA PRO A 40 -4.550 3.942 5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.246 4.175 8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.096 5.337 7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.713 5.780 7.218 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.622 6.220 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.511 3.885 6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.050 4.831 4.686 1.00 0.00 H new ATOM 613 N PHE A 41 -5.889 1.630 7.479 1.00 0.00 N ATOM 614 CA PHE A 41 -5.554 0.417 8.226 1.00 0.00 C ATOM 615 C PHE A 41 -5.361 -0.790 7.314 1.00 0.00 C ATOM 616 O PHE A 41 -4.623 -1.715 7.656 1.00 0.00 O ATOM 617 CB PHE A 41 -6.659 0.104 9.235 1.00 0.00 C ATOM 618 CG PHE A 41 -7.089 1.292 10.045 1.00 0.00 C ATOM 619 CD1 PHE A 41 -6.201 1.922 10.901 1.00 0.00 C ATOM 620 CD2 PHE A 41 -8.381 1.781 9.947 1.00 0.00 C ATOM 621 CE1 PHE A 41 -6.593 3.018 11.643 1.00 0.00 C ATOM 622 CE2 PHE A 41 -8.779 2.876 10.688 1.00 0.00 C ATOM 623 CZ PHE A 41 -7.883 3.496 11.537 1.00 0.00 C ATOM 0 H PHE A 41 -6.882 1.862 7.472 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.611 0.608 8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.523 -0.294 8.703 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.312 -0.679 9.910 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.190 1.552 10.989 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.085 1.301 9.284 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.890 3.501 12.306 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -9.790 3.247 10.604 1.00 0.00 H new ATOM 0 HZ PHE A 41 -8.192 4.353 12.117 1.00 0.00 H new ATOM 633 N PHE A 42 -6.008 -0.785 6.158 1.00 0.00 N ATOM 634 CA PHE A 42 -5.875 -1.894 5.222 1.00 0.00 C ATOM 635 C PHE A 42 -4.449 -1.969 4.694 1.00 0.00 C ATOM 636 O PHE A 42 -3.855 -3.045 4.620 1.00 0.00 O ATOM 637 CB PHE A 42 -6.854 -1.733 4.059 1.00 0.00 C ATOM 638 CG PHE A 42 -7.295 -3.034 3.452 1.00 0.00 C ATOM 639 CD1 PHE A 42 -8.143 -3.886 4.142 1.00 0.00 C ATOM 640 CD2 PHE A 42 -6.866 -3.405 2.185 1.00 0.00 C ATOM 641 CE1 PHE A 42 -8.555 -5.081 3.584 1.00 0.00 C ATOM 642 CE2 PHE A 42 -7.274 -4.600 1.623 1.00 0.00 C ATOM 643 CZ PHE A 42 -8.120 -5.439 2.323 1.00 0.00 C ATOM 0 H PHE A 42 -6.624 -0.034 5.847 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.107 -2.819 5.749 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.732 -1.190 4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.388 -1.122 3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.486 -3.612 5.129 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -6.206 -2.753 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.217 -5.734 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.932 -4.878 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.440 -6.373 1.885 1.00 0.00 H new ATOM 653 N HIS A 43 -3.912 -0.815 4.317 1.00 0.00 N ATOM 654 CA HIS A 43 -2.561 -0.738 3.779 1.00 0.00 C ATOM 655 C HIS A 43 -1.505 -1.064 4.835 1.00 0.00 C ATOM 656 O HIS A 43 -0.529 -1.755 4.547 1.00 0.00 O ATOM 657 CB HIS A 43 -2.304 0.648 3.185 1.00 0.00 C ATOM 658 CG HIS A 43 -1.772 0.596 1.788 1.00 0.00 C ATOM 659 ND1 HIS A 43 -2.502 0.944 0.673 1.00 0.00 N ATOM 660 CD2 HIS A 43 -0.552 0.213 1.331 1.00 0.00 C ATOM 661 CE1 HIS A 43 -1.723 0.762 -0.402 1.00 0.00 C ATOM 662 NE2 HIS A 43 -0.529 0.319 -0.056 1.00 0.00 N ATOM 0 H HIS A 43 -4.394 0.082 4.375 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.480 -1.488 2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.233 1.219 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.596 1.183 3.818 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.270 -0.121 1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.032 0.953 -1.419 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.250 0.100 -0.677 1.00 0.00 H new ATOM 670 N SER A 44 -1.691 -0.562 6.054 1.00 0.00 N ATOM 671 CA SER A 44 -0.733 -0.807 7.129 1.00 0.00 C ATOM 672 C SER A 44 -0.592 -2.300 7.408 1.00 0.00 C ATOM 673 O SER A 44 0.519 -2.815 7.556 1.00 0.00 O ATOM 674 CB SER A 44 -1.170 -0.081 8.403 1.00 0.00 C ATOM 675 OG SER A 44 -0.124 -0.053 9.359 1.00 0.00 O ATOM 0 H SER A 44 -2.490 0.013 6.321 1.00 0.00 H new ATOM 0 HA SER A 44 0.236 -0.423 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.471 0.938 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.042 -0.578 8.828 1.00 0.00 H new ATOM 0 HG SER A 44 -0.428 0.418 10.163 1.00 0.00 H new ATOM 681 N LEU A 45 -1.722 -2.994 7.477 1.00 0.00 N ATOM 682 CA LEU A 45 -1.714 -4.428 7.737 1.00 0.00 C ATOM 683 C LEU A 45 -0.910 -5.152 6.663 1.00 0.00 C ATOM 684 O LEU A 45 -0.142 -6.067 6.956 1.00 0.00 O ATOM 685 CB LEU A 45 -3.146 -4.968 7.770 1.00 0.00 C ATOM 686 CG LEU A 45 -3.957 -4.587 9.010 1.00 0.00 C ATOM 687 CD1 LEU A 45 -5.444 -4.569 8.686 1.00 0.00 C ATOM 688 CD2 LEU A 45 -3.670 -5.551 10.150 1.00 0.00 C ATOM 0 H LEU A 45 -2.651 -2.589 7.357 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.248 -4.604 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.673 -4.609 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.109 -6.055 7.699 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.661 -3.586 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.008 -4.296 9.578 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.636 -3.840 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.755 -5.558 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.255 -5.265 11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.940 -6.563 9.848 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.609 -5.517 10.397 1.00 0.00 H new ATOM 700 N SER A 46 -1.088 -4.720 5.421 1.00 0.00 N ATOM 701 CA SER A 46 -0.376 -5.305 4.291 1.00 0.00 C ATOM 702 C SER A 46 1.134 -5.259 4.504 1.00 0.00 C ATOM 703 O SER A 46 1.872 -6.074 3.951 1.00 0.00 O ATOM 704 CB SER A 46 -0.729 -4.561 3.003 1.00 0.00 C ATOM 705 OG SER A 46 -2.076 -4.123 3.018 1.00 0.00 O ATOM 0 H SER A 46 -1.723 -3.962 5.170 1.00 0.00 H new ATOM 0 HA SER A 46 -0.683 -6.348 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.066 -3.704 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.566 -5.214 2.146 1.00 0.00 H new ATOM 0 HG SER A 46 -2.622 -4.761 3.524 1.00 0.00 H new ATOM 711 N GLU A 47 1.593 -4.294 5.301 1.00 0.00 N ATOM 712 CA GLU A 47 3.019 -4.137 5.570 1.00 0.00 C ATOM 713 C GLU A 47 3.466 -4.993 6.752 1.00 0.00 C ATOM 714 O GLU A 47 4.650 -5.304 6.888 1.00 0.00 O ATOM 715 CB GLU A 47 3.345 -2.667 5.834 1.00 0.00 C ATOM 716 CG GLU A 47 4.833 -2.364 5.848 1.00 0.00 C ATOM 717 CD GLU A 47 5.145 -0.956 5.378 1.00 0.00 C ATOM 718 OE1 GLU A 47 4.417 -0.449 4.498 1.00 0.00 O ATOM 719 OE2 GLU A 47 6.114 -0.359 5.892 1.00 0.00 O ATOM 0 H GLU A 47 0.998 -3.611 5.770 1.00 0.00 H new ATOM 0 HA GLU A 47 3.563 -4.476 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.866 -2.055 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.915 -2.375 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.218 -2.500 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.352 -3.080 5.210 1.00 0.00 H new ATOM 726 N LYS A 48 2.520 -5.384 7.598 1.00 0.00 N ATOM 727 CA LYS A 48 2.837 -6.215 8.756 1.00 0.00 C ATOM 728 C LYS A 48 2.605 -7.687 8.424 1.00 0.00 C ATOM 729 O LYS A 48 3.133 -8.578 9.089 1.00 0.00 O ATOM 730 CB LYS A 48 1.985 -5.804 9.960 1.00 0.00 C ATOM 731 CG LYS A 48 2.290 -6.593 11.225 1.00 0.00 C ATOM 732 CD LYS A 48 1.255 -6.332 12.309 1.00 0.00 C ATOM 733 CE LYS A 48 0.925 -7.598 13.084 1.00 0.00 C ATOM 734 NZ LYS A 48 1.776 -7.746 14.299 1.00 0.00 N ATOM 0 H LYS A 48 1.533 -5.142 7.506 1.00 0.00 H new ATOM 0 HA LYS A 48 3.887 -6.071 9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.140 -4.743 10.158 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.932 -5.931 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.315 -7.658 10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.280 -6.323 11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.629 -5.572 12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.346 -5.934 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.125 -7.581 13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.062 -8.465 12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.519 -8.621 14.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.777 -7.788 14.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.627 -6.932 14.929 1.00 0.00 H new ATOM 748 N TYR A 49 1.815 -7.928 7.380 1.00 0.00 N ATOM 749 CA TYR A 49 1.505 -9.282 6.937 1.00 0.00 C ATOM 750 C TYR A 49 2.380 -9.675 5.751 1.00 0.00 C ATOM 751 O TYR A 49 2.028 -9.420 4.600 1.00 0.00 O ATOM 752 CB TYR A 49 0.033 -9.376 6.536 1.00 0.00 C ATOM 753 CG TYR A 49 -0.886 -9.695 7.689 1.00 0.00 C ATOM 754 CD1 TYR A 49 -1.362 -8.690 8.521 1.00 0.00 C ATOM 755 CD2 TYR A 49 -1.274 -11.004 7.953 1.00 0.00 C ATOM 756 CE1 TYR A 49 -2.197 -8.978 9.582 1.00 0.00 C ATOM 757 CE2 TYR A 49 -2.109 -11.299 9.014 1.00 0.00 C ATOM 758 CZ TYR A 49 -2.568 -10.283 9.825 1.00 0.00 C ATOM 759 OH TYR A 49 -3.400 -10.573 10.882 1.00 0.00 O ATOM 0 H TYR A 49 1.376 -7.196 6.822 1.00 0.00 H new ATOM 0 HA TYR A 49 1.703 -9.966 7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.274 -8.431 6.088 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.078 -10.143 5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.074 -7.666 8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.917 -11.802 7.319 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.558 -8.184 10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.401 -12.321 9.207 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.565 -11.539 10.913 1.00 0.00 H new ATOM 769 N SER A 50 3.518 -10.299 6.033 1.00 0.00 N ATOM 770 CA SER A 50 4.435 -10.725 4.982 1.00 0.00 C ATOM 771 C SER A 50 4.082 -12.128 4.492 1.00 0.00 C ATOM 772 O SER A 50 4.950 -12.994 4.376 1.00 0.00 O ATOM 773 CB SER A 50 5.878 -10.692 5.489 1.00 0.00 C ATOM 774 OG SER A 50 6.798 -10.836 4.421 1.00 0.00 O ATOM 0 H SER A 50 3.828 -10.521 6.979 1.00 0.00 H new ATOM 0 HA SER A 50 4.340 -10.033 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.063 -9.751 6.008 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.030 -11.491 6.214 1.00 0.00 H new ATOM 0 HG SER A 50 6.616 -11.672 3.943 1.00 0.00 H new ATOM 780 N ASN A 51 2.804 -12.341 4.189 1.00 0.00 N ATOM 781 CA ASN A 51 2.335 -13.631 3.694 1.00 0.00 C ATOM 782 C ASN A 51 1.077 -13.464 2.844 1.00 0.00 C ATOM 783 O ASN A 51 0.920 -14.114 1.810 1.00 0.00 O ATOM 784 CB ASN A 51 2.056 -14.589 4.854 1.00 0.00 C ATOM 785 CG ASN A 51 2.438 -16.019 4.523 1.00 0.00 C ATOM 786 OD1 ASN A 51 3.309 -16.263 3.688 1.00 0.00 O ATOM 787 ND2 ASN A 51 1.785 -16.973 5.176 1.00 0.00 N ATOM 0 H ASN A 51 2.074 -11.635 4.278 1.00 0.00 H new ATOM 0 HA ASN A 51 3.123 -14.054 3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.610 -14.262 5.734 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.997 -14.548 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.998 -17.954 4.994 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.070 -16.725 5.860 1.00 0.00 H new ATOM 794 N VAL A 52 0.176 -12.594 3.299 1.00 0.00 N ATOM 795 CA VAL A 52 -1.079 -12.346 2.598 1.00 0.00 C ATOM 796 C VAL A 52 -0.969 -11.169 1.640 1.00 0.00 C ATOM 797 O VAL A 52 -0.142 -10.277 1.824 1.00 0.00 O ATOM 798 CB VAL A 52 -2.222 -12.055 3.592 1.00 0.00 C ATOM 799 CG1 VAL A 52 -2.301 -13.141 4.645 1.00 0.00 C ATOM 800 CG2 VAL A 52 -2.035 -10.693 4.246 1.00 0.00 C ATOM 0 H VAL A 52 0.294 -12.049 4.153 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.298 -13.251 2.032 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.160 -12.042 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.113 -12.918 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.487 -14.101 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.360 -13.186 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.852 -10.509 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.088 -10.675 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.031 -9.919 3.479 1.00 0.00 H new ATOM 810 N ILE A 53 -1.817 -11.175 0.619 1.00 0.00 N ATOM 811 CA ILE A 53 -1.825 -10.111 -0.370 1.00 0.00 C ATOM 812 C ILE A 53 -3.025 -9.191 -0.170 1.00 0.00 C ATOM 813 O ILE A 53 -4.176 -9.597 -0.334 1.00 0.00 O ATOM 814 CB ILE A 53 -1.814 -10.686 -1.812 1.00 0.00 C ATOM 815 CG1 ILE A 53 -1.131 -9.714 -2.771 1.00 0.00 C ATOM 816 CG2 ILE A 53 -3.216 -11.011 -2.307 1.00 0.00 C ATOM 817 CD1 ILE A 53 0.361 -9.606 -2.558 1.00 0.00 C ATOM 0 H ILE A 53 -2.508 -11.907 0.456 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.916 -9.525 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.249 -11.618 -1.783 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.322 -10.033 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.579 -8.727 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.161 -11.410 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.672 -11.751 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.821 -10.104 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.780 -8.899 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.560 -9.258 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.821 -10.584 -2.702 1.00 0.00 H new ATOM 829 N PHE A 54 -2.742 -7.945 0.190 1.00 0.00 N ATOM 830 CA PHE A 54 -3.782 -6.953 0.415 1.00 0.00 C ATOM 831 C PHE A 54 -3.964 -6.117 -0.845 1.00 0.00 C ATOM 832 O PHE A 54 -3.055 -5.387 -1.233 1.00 0.00 O ATOM 833 CB PHE A 54 -3.366 -6.002 1.543 1.00 0.00 C ATOM 834 CG PHE A 54 -3.735 -6.418 2.945 1.00 0.00 C ATOM 835 CD1 PHE A 54 -3.185 -7.547 3.544 1.00 0.00 C ATOM 836 CD2 PHE A 54 -4.620 -5.642 3.679 1.00 0.00 C ATOM 837 CE1 PHE A 54 -3.518 -7.883 4.846 1.00 0.00 C ATOM 838 CE2 PHE A 54 -4.956 -5.981 4.975 1.00 0.00 C ATOM 839 CZ PHE A 54 -4.405 -7.101 5.559 1.00 0.00 C ATOM 0 H PHE A 54 -1.794 -7.598 0.333 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.704 -7.472 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.285 -5.873 1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.811 -5.026 1.348 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.494 -8.165 2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.053 -4.760 3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.083 -8.759 5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.650 -5.368 5.531 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.666 -7.367 6.573 1.00 0.00 H new ATOM 849 N LEU A 55 -5.132 -6.190 -1.475 1.00 0.00 N ATOM 850 CA LEU A 55 -5.363 -5.393 -2.669 1.00 0.00 C ATOM 851 C LEU A 55 -6.653 -4.605 -2.565 1.00 0.00 C ATOM 852 O LEU A 55 -7.456 -4.815 -1.655 1.00 0.00 O ATOM 853 CB LEU A 55 -5.307 -6.243 -3.940 1.00 0.00 C ATOM 854 CG LEU A 55 -6.635 -6.626 -4.599 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.884 -5.746 -5.812 1.00 0.00 C ATOM 856 CD2 LEU A 55 -6.611 -8.091 -5.008 1.00 0.00 C ATOM 0 H LEU A 55 -5.914 -6.778 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.551 -4.670 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.710 -5.706 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.772 -7.163 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.443 -6.476 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.830 -6.024 -6.275 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.925 -4.702 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.075 -5.879 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.560 -8.354 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.799 -8.258 -5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.457 -8.713 -4.126 1.00 0.00 H new ATOM 868 N GLU A 56 -6.820 -3.658 -3.473 1.00 0.00 N ATOM 869 CA GLU A 56 -7.979 -2.788 -3.448 1.00 0.00 C ATOM 870 C GLU A 56 -8.823 -2.881 -4.705 1.00 0.00 C ATOM 871 O GLU A 56 -8.346 -2.629 -5.810 1.00 0.00 O ATOM 872 CB GLU A 56 -7.495 -1.362 -3.295 1.00 0.00 C ATOM 873 CG GLU A 56 -8.390 -0.489 -2.433 1.00 0.00 C ATOM 874 CD GLU A 56 -8.328 -0.863 -0.964 1.00 0.00 C ATOM 875 OE1 GLU A 56 -8.964 -1.867 -0.579 1.00 0.00 O ATOM 876 OE2 GLU A 56 -7.646 -0.150 -0.199 1.00 0.00 O ATOM 0 H GLU A 56 -6.167 -3.474 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.608 -3.102 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.494 -1.374 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.410 -0.911 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.097 0.554 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.419 -0.573 -2.783 1.00 0.00 H new ATOM 883 N VAL A 57 -10.088 -3.223 -4.528 1.00 0.00 N ATOM 884 CA VAL A 57 -11.002 -3.325 -5.651 1.00 0.00 C ATOM 885 C VAL A 57 -12.126 -2.313 -5.535 1.00 0.00 C ATOM 886 O VAL A 57 -12.880 -2.304 -4.565 1.00 0.00 O ATOM 887 CB VAL A 57 -11.610 -4.731 -5.775 1.00 0.00 C ATOM 888 CG1 VAL A 57 -12.111 -4.946 -7.188 1.00 0.00 C ATOM 889 CG2 VAL A 57 -10.602 -5.803 -5.389 1.00 0.00 C ATOM 0 H VAL A 57 -10.504 -3.434 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.413 -3.119 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.449 -4.810 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.542 -5.944 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.872 -4.201 -7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.281 -4.848 -7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.061 -6.787 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.735 -5.741 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.287 -5.651 -4.357 1.00 0.00 H new ATOM 899 N ASP A 58 -12.214 -1.448 -6.529 1.00 0.00 N ATOM 900 CA ASP A 58 -13.231 -0.420 -6.555 1.00 0.00 C ATOM 901 C ASP A 58 -14.369 -0.845 -7.471 1.00 0.00 C ATOM 902 O ASP A 58 -14.160 -1.099 -8.657 1.00 0.00 O ATOM 903 CB ASP A 58 -12.619 0.895 -7.026 1.00 0.00 C ATOM 904 CG ASP A 58 -12.015 0.794 -8.412 1.00 0.00 C ATOM 905 OD1 ASP A 58 -11.359 -0.230 -8.702 1.00 0.00 O ATOM 906 OD2 ASP A 58 -12.199 1.738 -9.210 1.00 0.00 O ATOM 0 H ASP A 58 -11.587 -1.440 -7.333 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.632 -0.276 -5.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.386 1.670 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.849 1.206 -6.320 1.00 0.00 H new ATOM 911 N VAL A 59 -15.565 -0.962 -6.907 1.00 0.00 N ATOM 912 CA VAL A 59 -16.723 -1.396 -7.673 1.00 0.00 C ATOM 913 C VAL A 59 -17.037 -0.443 -8.824 1.00 0.00 C ATOM 914 O VAL A 59 -17.741 -0.811 -9.764 1.00 0.00 O ATOM 915 CB VAL A 59 -17.967 -1.549 -6.778 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.374 -0.209 -6.183 1.00 0.00 C ATOM 917 CG2 VAL A 59 -19.118 -2.167 -7.559 1.00 0.00 C ATOM 0 H VAL A 59 -15.756 -0.763 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.466 -2.369 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 59 -17.715 -2.220 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.255 -0.342 -5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -17.555 0.186 -5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -18.604 0.491 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -19.987 -2.266 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -19.369 -1.527 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -18.823 -3.151 -7.924 1.00 0.00 H new ATOM 927 N ASP A 60 -16.506 0.773 -8.760 1.00 0.00 N ATOM 928 CA ASP A 60 -16.732 1.746 -9.821 1.00 0.00 C ATOM 929 C ASP A 60 -16.100 1.250 -11.115 1.00 0.00 C ATOM 930 O ASP A 60 -16.665 1.399 -12.198 1.00 0.00 O ATOM 931 CB ASP A 60 -16.145 3.107 -9.439 1.00 0.00 C ATOM 932 CG ASP A 60 -16.790 4.250 -10.198 1.00 0.00 C ATOM 933 OD1 ASP A 60 -17.335 4.004 -11.294 1.00 0.00 O ATOM 934 OD2 ASP A 60 -16.751 5.393 -9.695 1.00 0.00 O ATOM 0 H ASP A 60 -15.922 1.106 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.806 1.863 -9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.274 3.267 -8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.073 3.105 -9.634 1.00 0.00 H new ATOM 939 N ASP A 61 -14.922 0.649 -10.980 1.00 0.00 N ATOM 940 CA ASP A 61 -14.192 0.107 -12.121 1.00 0.00 C ATOM 941 C ASP A 61 -14.381 -1.404 -12.208 1.00 0.00 C ATOM 942 O ASP A 61 -14.418 -1.978 -13.296 1.00 0.00 O ATOM 943 CB ASP A 61 -12.704 0.439 -12.000 1.00 0.00 C ATOM 944 CG ASP A 61 -12.408 1.892 -12.313 1.00 0.00 C ATOM 945 OD1 ASP A 61 -13.045 2.773 -11.701 1.00 0.00 O ATOM 946 OD2 ASP A 61 -11.537 2.148 -13.172 1.00 0.00 O ATOM 0 H ASP A 61 -14.450 0.524 -10.085 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.586 0.561 -13.030 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.365 0.212 -10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.136 -0.199 -12.678 1.00 0.00 H new ATOM 951 N ALA A 62 -14.492 -2.037 -11.045 1.00 0.00 N ATOM 952 CA ALA A 62 -14.674 -3.479 -10.966 1.00 0.00 C ATOM 953 C ALA A 62 -16.152 -3.828 -10.829 1.00 0.00 C ATOM 954 O ALA A 62 -16.534 -4.676 -10.019 1.00 0.00 O ATOM 955 CB ALA A 62 -13.879 -4.040 -9.796 1.00 0.00 C ATOM 0 H ALA A 62 -14.459 -1.569 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.305 -3.929 -11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.021 -5.119 -9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.821 -3.819 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.225 -3.584 -8.869 1.00 0.00 H new ATOM 961 N GLN A 63 -16.980 -3.156 -11.620 1.00 0.00 N ATOM 962 CA GLN A 63 -18.417 -3.379 -11.586 1.00 0.00 C ATOM 963 C GLN A 63 -18.790 -4.740 -12.169 1.00 0.00 C ATOM 964 O GLN A 63 -19.939 -5.167 -12.066 1.00 0.00 O ATOM 965 CB GLN A 63 -19.143 -2.272 -12.349 1.00 0.00 C ATOM 966 CG GLN A 63 -20.616 -2.161 -11.999 1.00 0.00 C ATOM 967 CD GLN A 63 -20.842 -1.734 -10.562 1.00 0.00 C ATOM 968 OE1 GLN A 63 -21.128 -2.560 -9.694 1.00 0.00 O ATOM 969 NE2 GLN A 63 -20.716 -0.439 -10.302 1.00 0.00 N ATOM 0 H GLN A 63 -16.679 -2.451 -12.293 1.00 0.00 H new ATOM 0 HA GLN A 63 -18.727 -3.363 -10.541 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -18.656 -1.319 -12.142 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -19.045 -2.454 -13.419 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -21.091 -1.443 -12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -21.100 -3.123 -12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -20.478 0.211 -11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -20.857 -0.093 -9.353 1.00 0.00 H new ATOM 978 N ASP A 64 -17.826 -5.420 -12.786 1.00 0.00 N ATOM 979 CA ASP A 64 -18.086 -6.726 -13.379 1.00 0.00 C ATOM 980 C ASP A 64 -17.724 -7.853 -12.417 1.00 0.00 C ATOM 981 O ASP A 64 -18.248 -8.961 -12.527 1.00 0.00 O ATOM 982 CB ASP A 64 -17.307 -6.887 -14.685 1.00 0.00 C ATOM 983 CG ASP A 64 -18.081 -6.372 -15.882 1.00 0.00 C ATOM 984 OD1 ASP A 64 -18.945 -7.116 -16.394 1.00 0.00 O ATOM 985 OD2 ASP A 64 -17.826 -5.226 -16.306 1.00 0.00 O ATOM 0 H ASP A 64 -16.866 -5.090 -12.887 1.00 0.00 H new ATOM 0 HA ASP A 64 -19.154 -6.786 -13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -16.360 -6.352 -14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -17.067 -7.940 -14.835 1.00 0.00 H new ATOM 990 N VAL A 65 -16.837 -7.572 -11.466 1.00 0.00 N ATOM 991 CA VAL A 65 -16.438 -8.585 -10.498 1.00 0.00 C ATOM 992 C VAL A 65 -17.513 -8.757 -9.429 1.00 0.00 C ATOM 993 O VAL A 65 -17.893 -9.882 -9.103 1.00 0.00 O ATOM 994 CB VAL A 65 -15.074 -8.280 -9.834 1.00 0.00 C ATOM 995 CG1 VAL A 65 -13.937 -8.709 -10.750 1.00 0.00 C ATOM 996 CG2 VAL A 65 -14.940 -6.809 -9.479 1.00 0.00 C ATOM 0 H VAL A 65 -16.387 -6.664 -11.347 1.00 0.00 H new ATOM 0 HA VAL A 65 -16.322 -9.516 -11.053 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.020 -8.849 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.982 -8.489 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -14.009 -9.779 -10.942 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.004 -8.166 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.969 -6.634 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -15.023 -6.207 -10.384 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -15.731 -6.529 -8.783 1.00 0.00 H new ATOM 1006 N ALA A 66 -18.000 -7.645 -8.874 1.00 0.00 N ATOM 1007 CA ALA A 66 -19.023 -7.693 -7.831 1.00 0.00 C ATOM 1008 C ALA A 66 -20.203 -8.579 -8.229 1.00 0.00 C ATOM 1009 O ALA A 66 -20.531 -9.536 -7.527 1.00 0.00 O ATOM 1010 CB ALA A 66 -19.514 -6.284 -7.533 1.00 0.00 C ATOM 0 H ALA A 66 -17.702 -6.703 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 66 -18.571 -8.127 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.277 -6.321 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.679 -5.672 -7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.939 -5.848 -8.437 1.00 0.00 H new ATOM 1016 N PRO A 67 -20.862 -8.273 -9.358 1.00 0.00 N ATOM 1017 CA PRO A 67 -22.008 -9.052 -9.837 1.00 0.00 C ATOM 1018 C PRO A 67 -21.694 -10.541 -9.906 1.00 0.00 C ATOM 1019 O PRO A 67 -22.576 -11.383 -9.748 1.00 0.00 O ATOM 1020 CB PRO A 67 -22.258 -8.487 -11.236 1.00 0.00 C ATOM 1021 CG PRO A 67 -21.737 -7.094 -11.167 1.00 0.00 C ATOM 1022 CD PRO A 67 -20.546 -7.148 -10.258 1.00 0.00 C ATOM 0 HA PRO A 67 -22.870 -8.972 -9.175 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -21.740 -9.068 -11.999 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -23.318 -8.503 -11.488 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -21.458 -6.732 -12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -22.494 -6.412 -10.780 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -19.624 -7.322 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -20.416 -6.216 -9.708 1.00 0.00 H new ATOM 1030 N LYS A 68 -20.421 -10.853 -10.121 1.00 0.00 N ATOM 1031 CA LYS A 68 -19.975 -12.237 -10.188 1.00 0.00 C ATOM 1032 C LYS A 68 -19.899 -12.850 -8.790 1.00 0.00 C ATOM 1033 O LYS A 68 -19.900 -14.072 -8.641 1.00 0.00 O ATOM 1034 CB LYS A 68 -18.610 -12.322 -10.878 1.00 0.00 C ATOM 1035 CG LYS A 68 -18.692 -12.768 -12.329 1.00 0.00 C ATOM 1036 CD LYS A 68 -17.615 -12.111 -13.179 1.00 0.00 C ATOM 1037 CE LYS A 68 -17.254 -12.969 -14.382 1.00 0.00 C ATOM 1038 NZ LYS A 68 -16.171 -13.940 -14.067 1.00 0.00 N ATOM 0 H LYS A 68 -19.680 -10.164 -10.252 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.701 -12.803 -10.772 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.127 -11.346 -10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.976 -13.017 -10.328 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.588 -13.852 -12.383 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.675 -12.521 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.962 -11.135 -13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.725 -11.940 -12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.138 -13.509 -14.721 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.938 -12.327 -15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.826 -14.373 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.388 -13.445 -13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.541 -14.682 -13.439 1.00 0.00 H new ATOM 1052 N TYR A 69 -19.827 -11.993 -7.767 1.00 0.00 N ATOM 1053 CA TYR A 69 -19.738 -12.443 -6.372 1.00 0.00 C ATOM 1054 C TYR A 69 -21.008 -12.113 -5.585 1.00 0.00 C ATOM 1055 O TYR A 69 -21.155 -12.509 -4.430 1.00 0.00 O ATOM 1056 CB TYR A 69 -18.550 -11.769 -5.693 1.00 0.00 C ATOM 1057 CG TYR A 69 -17.210 -12.268 -6.180 1.00 0.00 C ATOM 1058 CD1 TYR A 69 -16.853 -13.603 -6.045 1.00 0.00 C ATOM 1059 CD2 TYR A 69 -16.309 -11.405 -6.788 1.00 0.00 C ATOM 1060 CE1 TYR A 69 -15.634 -14.063 -6.505 1.00 0.00 C ATOM 1061 CE2 TYR A 69 -15.087 -11.855 -7.249 1.00 0.00 C ATOM 1062 CZ TYR A 69 -14.755 -13.187 -7.106 1.00 0.00 C ATOM 1063 OH TYR A 69 -13.541 -13.643 -7.567 1.00 0.00 O ATOM 0 H TYR A 69 -19.829 -10.979 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 69 -19.612 -13.526 -6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -18.610 -10.693 -5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.619 -11.929 -4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.538 -14.292 -5.574 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -16.568 -10.363 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -15.371 -15.105 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.397 -11.170 -7.718 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.900 -13.672 -6.826 1.00 0.00 H new ATOM 1073 N GLY A 70 -21.925 -11.404 -6.226 1.00 0.00 N ATOM 1074 CA GLY A 70 -23.178 -11.045 -5.584 1.00 0.00 C ATOM 1075 C GLY A 70 -23.009 -10.090 -4.413 1.00 0.00 C ATOM 1076 O GLY A 70 -23.740 -10.182 -3.427 1.00 0.00 O ATOM 0 H GLY A 70 -21.825 -11.068 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.837 -10.589 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.671 -11.952 -5.234 1.00 0.00 H new ATOM 1080 N ILE A 71 -22.058 -9.164 -4.516 1.00 0.00 N ATOM 1081 CA ILE A 71 -21.824 -8.192 -3.448 1.00 0.00 C ATOM 1082 C ILE A 71 -22.904 -7.109 -3.458 1.00 0.00 C ATOM 1083 O ILE A 71 -23.277 -6.602 -4.517 1.00 0.00 O ATOM 1084 CB ILE A 71 -20.435 -7.525 -3.578 1.00 0.00 C ATOM 1085 CG1 ILE A 71 -19.325 -8.573 -3.472 1.00 0.00 C ATOM 1086 CG2 ILE A 71 -20.251 -6.453 -2.511 1.00 0.00 C ATOM 1087 CD1 ILE A 71 -17.956 -8.037 -3.830 1.00 0.00 C ATOM 0 H ILE A 71 -21.440 -9.065 -5.322 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.861 -8.738 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 71 -20.375 -7.051 -4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.300 -8.963 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -19.562 -9.410 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -19.267 -5.996 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -21.020 -5.690 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -20.333 -6.905 -1.523 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -17.217 -8.832 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -17.965 -7.673 -4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -17.698 -7.219 -3.158 1.00 0.00 H new ATOM 1099 N ARG A 72 -23.409 -6.765 -2.276 1.00 0.00 N ATOM 1100 CA ARG A 72 -24.452 -5.751 -2.159 1.00 0.00 C ATOM 1101 C ARG A 72 -24.313 -4.960 -0.860 1.00 0.00 C ATOM 1102 O ARG A 72 -25.197 -4.986 -0.003 1.00 0.00 O ATOM 1103 CB ARG A 72 -25.833 -6.408 -2.227 1.00 0.00 C ATOM 1104 CG ARG A 72 -26.960 -5.437 -2.538 1.00 0.00 C ATOM 1105 CD ARG A 72 -28.286 -6.162 -2.696 1.00 0.00 C ATOM 1106 NE ARG A 72 -29.416 -5.237 -2.762 1.00 0.00 N ATOM 1107 CZ ARG A 72 -29.802 -4.612 -3.872 1.00 0.00 C ATOM 1108 NH1 ARG A 72 -29.141 -4.795 -5.009 1.00 0.00 N ATOM 1109 NH2 ARG A 72 -30.849 -3.800 -3.846 1.00 0.00 N ATOM 0 H ARG A 72 -23.114 -7.172 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 72 -24.341 -5.056 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -25.817 -7.187 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -26.040 -6.897 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -27.039 -4.700 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -26.730 -4.891 -3.453 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.261 -6.768 -3.602 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -28.427 -6.846 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 72 -29.941 -5.060 -1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -28.333 -5.417 -5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -29.441 -4.314 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.359 -3.654 -2.975 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.144 -3.321 -4.697 1.00 0.00 H new ATOM 1123 N GLY A 73 -23.192 -4.256 -0.724 1.00 0.00 N ATOM 1124 CA GLY A 73 -22.953 -3.464 0.468 1.00 0.00 C ATOM 1125 C GLY A 73 -21.589 -2.803 0.464 1.00 0.00 C ATOM 1126 O GLY A 73 -20.694 -3.216 -0.271 1.00 0.00 O ATOM 0 H GLY A 73 -22.446 -4.221 -1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.724 -2.698 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -23.041 -4.102 1.347 1.00 0.00 H new ATOM 1130 N ILE A 74 -21.431 -1.772 1.288 1.00 0.00 N ATOM 1131 CA ILE A 74 -20.166 -1.051 1.382 1.00 0.00 C ATOM 1132 C ILE A 74 -19.929 -0.556 2.809 1.00 0.00 C ATOM 1133 O ILE A 74 -20.853 -0.061 3.454 1.00 0.00 O ATOM 1134 CB ILE A 74 -20.137 0.153 0.420 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -21.331 1.073 0.681 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -20.136 -0.324 -1.025 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -21.293 2.355 -0.121 1.00 0.00 C ATOM 0 H ILE A 74 -22.164 -1.416 1.901 1.00 0.00 H new ATOM 0 HA ILE A 74 -19.375 -1.748 1.103 1.00 0.00 H new ATOM 0 HB ILE A 74 -19.222 0.718 0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -22.251 0.536 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -21.365 1.319 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -20.115 0.537 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.256 -0.942 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -21.036 -0.909 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -22.170 2.958 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -20.391 2.914 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -21.291 2.119 -1.185 1.00 0.00 H new ATOM 1149 N PRO A 75 -18.691 -0.681 3.334 1.00 0.00 N ATOM 1150 CA PRO A 75 -17.544 -1.257 2.635 1.00 0.00 C ATOM 1151 C PRO A 75 -17.435 -2.764 2.855 1.00 0.00 C ATOM 1152 O PRO A 75 -17.343 -3.222 3.994 1.00 0.00 O ATOM 1153 CB PRO A 75 -16.345 -0.547 3.288 1.00 0.00 C ATOM 1154 CG PRO A 75 -16.886 0.198 4.477 1.00 0.00 C ATOM 1155 CD PRO A 75 -18.307 -0.254 4.676 1.00 0.00 C ATOM 0 HA PRO A 75 -17.612 -1.121 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.587 -1.268 3.594 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -15.869 0.137 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.289 -0.009 5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -16.845 1.274 4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.377 -1.068 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -18.942 0.552 5.043 1.00 0.00 H new ATOM 1163 N THR A 76 -17.449 -3.534 1.772 1.00 0.00 N ATOM 1164 CA THR A 76 -17.350 -4.985 1.873 1.00 0.00 C ATOM 1165 C THR A 76 -15.902 -5.462 1.915 1.00 0.00 C ATOM 1166 O THR A 76 -15.060 -5.009 1.139 1.00 0.00 O ATOM 1167 CB THR A 76 -18.066 -5.661 0.699 1.00 0.00 C ATOM 1168 OG1 THR A 76 -18.866 -4.731 -0.005 1.00 0.00 O ATOM 1169 CG2 THR A 76 -18.956 -6.807 1.122 1.00 0.00 C ATOM 0 H THR A 76 -17.528 -3.180 0.819 1.00 0.00 H new ATOM 0 HA THR A 76 -17.831 -5.265 2.810 1.00 0.00 H new ATOM 0 HB THR A 76 -17.271 -6.055 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 76 -19.554 -4.372 0.594 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.433 -7.241 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 76 -18.357 -7.567 1.623 1.00 0.00 H new ATOM 0 HG23 THR A 76 -19.721 -6.440 1.806 1.00 0.00 H new ATOM 1177 N LEU A 77 -15.634 -6.412 2.797 1.00 0.00 N ATOM 1178 CA LEU A 77 -14.311 -6.998 2.913 1.00 0.00 C ATOM 1179 C LEU A 77 -14.373 -8.420 2.375 1.00 0.00 C ATOM 1180 O LEU A 77 -15.182 -9.230 2.827 1.00 0.00 O ATOM 1181 CB LEU A 77 -13.826 -6.980 4.369 1.00 0.00 C ATOM 1182 CG LEU A 77 -12.496 -6.258 4.606 1.00 0.00 C ATOM 1183 CD1 LEU A 77 -12.614 -4.782 4.257 1.00 0.00 C ATOM 1184 CD2 LEU A 77 -12.049 -6.428 6.051 1.00 0.00 C ATOM 0 H LEU A 77 -16.321 -6.795 3.446 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.596 -6.414 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.592 -6.508 4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.729 -8.009 4.715 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.744 -6.704 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.658 -4.289 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.889 -4.677 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.380 -4.321 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.103 -5.909 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.803 -6.009 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.921 -7.488 6.270 1.00 0.00 H new ATOM 1196 N LEU A 78 -13.542 -8.708 1.382 1.00 0.00 N ATOM 1197 CA LEU A 78 -13.539 -10.025 0.761 1.00 0.00 C ATOM 1198 C LEU A 78 -12.225 -10.757 1.000 1.00 0.00 C ATOM 1199 O LEU A 78 -11.143 -10.181 0.884 1.00 0.00 O ATOM 1200 CB LEU A 78 -13.779 -9.894 -0.752 1.00 0.00 C ATOM 1201 CG LEU A 78 -15.245 -9.807 -1.211 1.00 0.00 C ATOM 1202 CD1 LEU A 78 -15.347 -10.114 -2.697 1.00 0.00 C ATOM 1203 CD2 LEU A 78 -16.133 -10.753 -0.414 1.00 0.00 C ATOM 0 H LEU A 78 -12.866 -8.052 0.992 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.341 -10.605 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.258 -9.003 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -13.317 -10.749 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.595 -8.790 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.389 -10.050 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.753 -9.393 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.972 -11.120 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.162 -10.667 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.788 -11.778 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.086 -10.492 0.643 1.00 0.00 H new ATOM 1215 N LEU A 79 -12.333 -12.039 1.329 1.00 0.00 N ATOM 1216 CA LEU A 79 -11.166 -12.870 1.577 1.00 0.00 C ATOM 1217 C LEU A 79 -11.105 -14.000 0.560 1.00 0.00 C ATOM 1218 O LEU A 79 -12.051 -14.776 0.430 1.00 0.00 O ATOM 1219 CB LEU A 79 -11.220 -13.447 2.994 1.00 0.00 C ATOM 1220 CG LEU A 79 -10.452 -12.655 4.054 1.00 0.00 C ATOM 1221 CD1 LEU A 79 -8.953 -12.796 3.842 1.00 0.00 C ATOM 1222 CD2 LEU A 79 -10.862 -11.192 4.028 1.00 0.00 C ATOM 0 H LEU A 79 -13.224 -12.526 1.430 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.271 -12.255 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.264 -13.515 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -10.828 -14.464 2.969 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.699 -13.062 5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.422 -12.226 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.673 -13.847 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.688 -12.416 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.305 -10.645 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -10.645 -10.771 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.930 -11.110 4.230 1.00 0.00 H new ATOM 1234 N PHE A 80 -9.994 -14.084 -0.163 1.00 0.00 N ATOM 1235 CA PHE A 80 -9.826 -15.114 -1.181 1.00 0.00 C ATOM 1236 C PHE A 80 -8.699 -16.076 -0.822 1.00 0.00 C ATOM 1237 O PHE A 80 -7.712 -15.694 -0.195 1.00 0.00 O ATOM 1238 CB PHE A 80 -9.546 -14.457 -2.533 1.00 0.00 C ATOM 1239 CG PHE A 80 -10.774 -13.907 -3.193 1.00 0.00 C ATOM 1240 CD1 PHE A 80 -11.227 -12.637 -2.875 1.00 0.00 C ATOM 1241 CD2 PHE A 80 -11.478 -14.654 -4.126 1.00 0.00 C ATOM 1242 CE1 PHE A 80 -12.358 -12.119 -3.473 1.00 0.00 C ATOM 1243 CE2 PHE A 80 -12.611 -14.141 -4.730 1.00 0.00 C ATOM 1244 CZ PHE A 80 -13.052 -12.871 -4.403 1.00 0.00 C ATOM 0 H PHE A 80 -9.199 -13.453 -0.064 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.749 -15.692 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.825 -13.651 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.083 -15.189 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.688 -12.045 -2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.138 -15.646 -4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -12.700 -11.128 -3.215 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -13.151 -14.731 -5.456 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.937 -12.468 -4.873 1.00 0.00 H new ATOM 1254 N LYS A 81 -8.864 -17.331 -1.229 1.00 0.00 N ATOM 1255 CA LYS A 81 -7.875 -18.370 -0.963 1.00 0.00 C ATOM 1256 C LYS A 81 -7.838 -19.365 -2.116 1.00 0.00 C ATOM 1257 O LYS A 81 -8.796 -20.106 -2.336 1.00 0.00 O ATOM 1258 CB LYS A 81 -8.212 -19.097 0.340 1.00 0.00 C ATOM 1259 CG LYS A 81 -6.992 -19.490 1.157 1.00 0.00 C ATOM 1260 CD LYS A 81 -7.230 -19.269 2.643 1.00 0.00 C ATOM 1261 CE LYS A 81 -5.963 -19.495 3.455 1.00 0.00 C ATOM 1262 NZ LYS A 81 -5.481 -20.901 3.351 1.00 0.00 N ATOM 0 H LYS A 81 -9.680 -17.655 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.895 -17.903 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.853 -18.457 0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.786 -19.994 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.752 -20.538 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.131 -18.906 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.591 -18.254 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.011 -19.945 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.183 -18.817 3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.154 -19.253 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.667 -21.037 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.245 -21.551 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.195 -21.098 2.371 1.00 0.00 H new ATOM 1276 N ASN A 82 -6.736 -19.376 -2.858 1.00 0.00 N ATOM 1277 CA ASN A 82 -6.599 -20.280 -3.994 1.00 0.00 C ATOM 1278 C ASN A 82 -7.687 -20.000 -5.029 1.00 0.00 C ATOM 1279 O ASN A 82 -8.309 -20.922 -5.559 1.00 0.00 O ATOM 1280 CB ASN A 82 -6.675 -21.738 -3.534 1.00 0.00 C ATOM 1281 CG ASN A 82 -5.885 -22.002 -2.264 1.00 0.00 C ATOM 1282 OD1 ASN A 82 -4.587 -21.719 -2.300 1.00 0.00 O flip ATOM 1283 ND2 ASN A 82 -6.437 -22.451 -1.261 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.929 -18.773 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 82 -5.624 -20.110 -4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -7.718 -22.007 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.301 -22.384 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.436 -22.654 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.895 -22.620 -0.413 1.00 0.00 H new ATOM 1290 N GLY A 83 -7.881 -18.720 -5.340 1.00 0.00 N ATOM 1291 CA GLY A 83 -8.866 -18.334 -6.335 1.00 0.00 C ATOM 1292 C GLY A 83 -10.306 -18.469 -5.865 1.00 0.00 C ATOM 1293 O GLY A 83 -11.233 -18.196 -6.629 1.00 0.00 O ATOM 0 H GLY A 83 -7.372 -17.943 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.686 -17.300 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.727 -18.946 -7.226 1.00 0.00 H new ATOM 1297 N GLU A 84 -10.512 -18.902 -4.623 1.00 0.00 N ATOM 1298 CA GLU A 84 -11.865 -19.072 -4.102 1.00 0.00 C ATOM 1299 C GLU A 84 -12.083 -18.259 -2.831 1.00 0.00 C ATOM 1300 O GLU A 84 -11.221 -18.208 -1.954 1.00 0.00 O ATOM 1301 CB GLU A 84 -12.144 -20.553 -3.826 1.00 0.00 C ATOM 1302 CG GLU A 84 -13.597 -20.951 -4.038 1.00 0.00 C ATOM 1303 CD GLU A 84 -13.824 -22.440 -3.864 1.00 0.00 C ATOM 1304 OE1 GLU A 84 -13.180 -23.041 -2.980 1.00 0.00 O ATOM 1305 OE2 GLU A 84 -14.649 -23.005 -4.612 1.00 0.00 O ATOM 0 H GLU A 84 -9.769 -19.139 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.559 -18.707 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.512 -21.160 -4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.860 -20.782 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.226 -20.406 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.909 -20.654 -5.039 1.00 0.00 H new ATOM 1312 N VAL A 85 -13.258 -17.643 -2.732 1.00 0.00 N ATOM 1313 CA VAL A 85 -13.606 -16.841 -1.564 1.00 0.00 C ATOM 1314 C VAL A 85 -13.761 -17.732 -0.331 1.00 0.00 C ATOM 1315 O VAL A 85 -14.622 -18.611 -0.303 1.00 0.00 O ATOM 1316 CB VAL A 85 -14.915 -16.059 -1.782 1.00 0.00 C ATOM 1317 CG1 VAL A 85 -15.190 -15.139 -0.601 1.00 0.00 C ATOM 1318 CG2 VAL A 85 -14.852 -15.265 -3.079 1.00 0.00 C ATOM 0 H VAL A 85 -13.985 -17.684 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.795 -16.130 -1.409 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.735 -16.773 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -16.119 -14.595 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -15.280 -15.732 0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.369 -14.431 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -15.785 -14.719 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.022 -14.560 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.704 -15.947 -3.916 1.00 0.00 H new ATOM 1328 N ALA A 86 -12.927 -17.514 0.683 1.00 0.00 N ATOM 1329 CA ALA A 86 -12.995 -18.318 1.899 1.00 0.00 C ATOM 1330 C ALA A 86 -13.489 -17.511 3.094 1.00 0.00 C ATOM 1331 O ALA A 86 -13.464 -17.986 4.229 1.00 0.00 O ATOM 1332 CB ALA A 86 -11.641 -18.945 2.199 1.00 0.00 C ATOM 0 H ALA A 86 -12.204 -16.795 0.687 1.00 0.00 H new ATOM 0 HA ALA A 86 -13.722 -19.111 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.710 -19.541 3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -11.344 -19.585 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.898 -18.159 2.335 1.00 0.00 H new ATOM 1338 N ALA A 87 -13.945 -16.297 2.830 1.00 0.00 N ATOM 1339 CA ALA A 87 -14.451 -15.425 3.885 1.00 0.00 C ATOM 1340 C ALA A 87 -15.091 -14.162 3.314 1.00 0.00 C ATOM 1341 O ALA A 87 -14.596 -13.588 2.344 1.00 0.00 O ATOM 1342 CB ALA A 87 -13.333 -15.066 4.850 1.00 0.00 C ATOM 0 H ALA A 87 -13.976 -15.890 1.895 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.226 -15.969 4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.723 -14.415 5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.934 -15.975 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.539 -14.550 4.311 1.00 0.00 H new ATOM 1348 N THR A 88 -16.184 -13.722 3.933 1.00 0.00 N ATOM 1349 CA THR A 88 -16.878 -12.516 3.491 1.00 0.00 C ATOM 1350 C THR A 88 -17.302 -11.659 4.678 1.00 0.00 C ATOM 1351 O THR A 88 -17.956 -12.143 5.601 1.00 0.00 O ATOM 1352 CB THR A 88 -18.108 -12.877 2.657 1.00 0.00 C ATOM 1353 OG1 THR A 88 -18.945 -11.747 2.487 1.00 0.00 O ATOM 1354 CG2 THR A 88 -18.946 -13.979 3.271 1.00 0.00 C ATOM 0 H THR A 88 -16.607 -14.181 4.740 1.00 0.00 H new ATOM 0 HA THR A 88 -16.183 -11.944 2.877 1.00 0.00 H new ATOM 0 HB THR A 88 -17.717 -13.229 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 88 -19.726 -11.996 1.950 1.00 0.00 H new ATOM 0 HG21 THR A 88 -19.802 -14.186 2.629 1.00 0.00 H new ATOM 0 HG22 THR A 88 -18.343 -14.881 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 88 -19.297 -13.664 4.254 1.00 0.00 H new ATOM 1362 N LYS A 89 -16.941 -10.378 4.642 1.00 0.00 N ATOM 1363 CA LYS A 89 -17.302 -9.449 5.708 1.00 0.00 C ATOM 1364 C LYS A 89 -17.925 -8.190 5.112 1.00 0.00 C ATOM 1365 O LYS A 89 -17.460 -7.678 4.095 1.00 0.00 O ATOM 1366 CB LYS A 89 -16.073 -9.089 6.546 1.00 0.00 C ATOM 1367 CG LYS A 89 -16.344 -9.069 8.042 1.00 0.00 C ATOM 1368 CD LYS A 89 -16.958 -7.748 8.480 1.00 0.00 C ATOM 1369 CE LYS A 89 -17.345 -7.773 9.949 1.00 0.00 C ATOM 1370 NZ LYS A 89 -16.287 -7.182 10.814 1.00 0.00 N ATOM 0 H LYS A 89 -16.399 -9.961 3.886 1.00 0.00 H new ATOM 0 HA LYS A 89 -18.031 -9.930 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.279 -9.806 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.707 -8.110 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.015 -9.887 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.413 -9.236 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.248 -6.940 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.839 -7.537 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.276 -7.224 10.088 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.533 -8.802 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.730 -6.624 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.716 -7.943 11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.676 -6.565 10.242 1.00 0.00 H new ATOM 1384 N VAL A 90 -18.988 -7.703 5.739 1.00 0.00 N ATOM 1385 CA VAL A 90 -19.687 -6.516 5.259 1.00 0.00 C ATOM 1386 C VAL A 90 -19.664 -5.395 6.293 1.00 0.00 C ATOM 1387 O VAL A 90 -19.706 -5.652 7.496 1.00 0.00 O ATOM 1388 CB VAL A 90 -21.148 -6.839 4.898 1.00 0.00 C ATOM 1389 CG1 VAL A 90 -21.806 -5.652 4.215 1.00 0.00 C ATOM 1390 CG2 VAL A 90 -21.215 -8.079 4.018 1.00 0.00 C ATOM 0 H VAL A 90 -19.387 -8.113 6.584 1.00 0.00 H new ATOM 0 HA VAL A 90 -19.160 -6.182 4.365 1.00 0.00 H new ATOM 0 HB VAL A 90 -21.696 -7.044 5.818 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -22.838 -5.901 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -21.790 -4.792 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -21.262 -5.410 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -22.255 -8.294 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -20.653 -7.905 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -20.785 -8.927 4.551 1.00 0.00 H new ATOM 1400 N GLY A 91 -19.607 -4.149 5.823 1.00 0.00 N ATOM 1401 CA GLY A 91 -19.585 -3.019 6.729 1.00 0.00 C ATOM 1402 C GLY A 91 -18.218 -2.756 7.324 1.00 0.00 C ATOM 1403 O GLY A 91 -17.320 -3.594 7.245 1.00 0.00 O ATOM 0 H GLY A 91 -19.576 -3.906 4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.919 -2.129 6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -20.297 -3.195 7.535 1.00 0.00 H new ATOM 1407 N ALA A 92 -18.066 -1.573 7.909 1.00 0.00 N ATOM 1408 CA ALA A 92 -16.805 -1.166 8.513 1.00 0.00 C ATOM 1409 C ALA A 92 -16.478 -2.004 9.742 1.00 0.00 C ATOM 1410 O ALA A 92 -17.298 -2.796 10.206 1.00 0.00 O ATOM 1411 CB ALA A 92 -16.853 0.309 8.881 1.00 0.00 C ATOM 0 H ALA A 92 -18.807 -0.875 7.977 1.00 0.00 H new ATOM 0 HA ALA A 92 -16.015 -1.328 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -15.905 0.603 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.027 0.902 7.983 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.661 0.481 9.592 1.00 0.00 H new ATOM 1417 N LEU A 93 -15.269 -1.821 10.260 1.00 0.00 N ATOM 1418 CA LEU A 93 -14.816 -2.557 11.432 1.00 0.00 C ATOM 1419 C LEU A 93 -13.612 -1.863 12.067 1.00 0.00 C ATOM 1420 O LEU A 93 -13.260 -0.746 11.686 1.00 0.00 O ATOM 1421 CB LEU A 93 -14.462 -3.994 11.041 1.00 0.00 C ATOM 1422 CG LEU A 93 -13.664 -4.137 9.743 1.00 0.00 C ATOM 1423 CD1 LEU A 93 -12.920 -5.464 9.718 1.00 0.00 C ATOM 1424 CD2 LEU A 93 -14.583 -4.020 8.535 1.00 0.00 C ATOM 0 H LEU A 93 -14.583 -1.166 9.884 1.00 0.00 H new ATOM 0 HA LEU A 93 -15.622 -2.581 12.166 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -13.890 -4.444 11.852 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -15.385 -4.566 10.946 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.933 -3.330 9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.358 -5.549 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.233 -5.512 10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.635 -6.284 9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -13.998 -4.124 7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.337 -4.806 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -15.073 -3.046 8.543 1.00 0.00 H new ATOM 1436 N SER A 94 -12.978 -2.527 13.028 1.00 0.00 N ATOM 1437 CA SER A 94 -11.812 -1.963 13.701 1.00 0.00 C ATOM 1438 C SER A 94 -10.543 -2.710 13.302 1.00 0.00 C ATOM 1439 O SER A 94 -10.607 -3.793 12.721 1.00 0.00 O ATOM 1440 CB SER A 94 -11.991 -2.015 15.220 1.00 0.00 C ATOM 1441 OG SER A 94 -13.360 -1.928 15.577 1.00 0.00 O ATOM 0 H SER A 94 -13.250 -3.453 13.358 1.00 0.00 H new ATOM 0 HA SER A 94 -11.716 -0.922 13.392 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.570 -2.943 15.607 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.439 -1.197 15.682 1.00 0.00 H new ATOM 0 HG SER A 94 -13.447 -1.965 16.552 1.00 0.00 H new ATOM 1447 N LYS A 95 -9.390 -2.125 13.618 1.00 0.00 N ATOM 1448 CA LYS A 95 -8.108 -2.740 13.289 1.00 0.00 C ATOM 1449 C LYS A 95 -7.993 -4.127 13.911 1.00 0.00 C ATOM 1450 O LYS A 95 -7.352 -5.018 13.351 1.00 0.00 O ATOM 1451 CB LYS A 95 -6.949 -1.860 13.764 1.00 0.00 C ATOM 1452 CG LYS A 95 -5.578 -2.429 13.428 1.00 0.00 C ATOM 1453 CD LYS A 95 -4.674 -1.384 12.791 1.00 0.00 C ATOM 1454 CE LYS A 95 -3.602 -2.028 11.925 1.00 0.00 C ATOM 1455 NZ LYS A 95 -2.364 -2.319 12.699 1.00 0.00 N ATOM 0 H LYS A 95 -9.318 -1.229 14.100 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.055 -2.839 12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.044 -0.872 13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -7.024 -1.726 14.843 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.110 -2.810 14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.691 -3.274 12.749 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.273 -0.704 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.203 -0.785 13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.988 -2.953 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.362 -1.367 11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.658 -2.757 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.981 -1.433 13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.587 -2.970 13.479 1.00 0.00 H new ATOM 1469 N GLY A 96 -8.601 -4.300 15.080 1.00 0.00 N ATOM 1470 CA GLY A 96 -8.544 -5.579 15.753 1.00 0.00 C ATOM 1471 C GLY A 96 -9.487 -6.602 15.151 1.00 0.00 C ATOM 1472 O GLY A 96 -9.199 -7.798 15.169 1.00 0.00 O ATOM 0 H GLY A 96 -9.130 -3.578 15.570 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.524 -5.962 15.710 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.789 -5.441 16.806 1.00 0.00 H new ATOM 1476 N GLN A 97 -10.607 -6.140 14.607 1.00 0.00 N ATOM 1477 CA GLN A 97 -11.574 -7.044 13.995 1.00 0.00 C ATOM 1478 C GLN A 97 -11.100 -7.488 12.617 1.00 0.00 C ATOM 1479 O GLN A 97 -11.383 -8.603 12.179 1.00 0.00 O ATOM 1480 CB GLN A 97 -12.946 -6.383 13.891 1.00 0.00 C ATOM 1481 CG GLN A 97 -13.389 -5.697 15.174 1.00 0.00 C ATOM 1482 CD GLN A 97 -14.598 -4.805 14.972 1.00 0.00 C ATOM 1483 OE1 GLN A 97 -15.042 -4.586 13.846 1.00 0.00 O ATOM 1484 NE2 GLN A 97 -15.135 -4.279 16.068 1.00 0.00 N ATOM 0 H GLN A 97 -10.867 -5.154 14.577 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.661 -7.923 14.634 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -12.927 -5.650 13.085 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.684 -7.137 13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.621 -6.453 15.924 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -12.565 -5.102 15.566 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -14.734 -4.487 16.983 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.948 -3.667 15.995 1.00 0.00 H new ATOM 1493 N LEU A 98 -10.363 -6.616 11.938 1.00 0.00 N ATOM 1494 CA LEU A 98 -9.836 -6.943 10.622 1.00 0.00 C ATOM 1495 C LEU A 98 -8.717 -7.968 10.767 1.00 0.00 C ATOM 1496 O LEU A 98 -8.714 -9.007 10.107 1.00 0.00 O ATOM 1497 CB LEU A 98 -9.322 -5.686 9.913 1.00 0.00 C ATOM 1498 CG LEU A 98 -9.776 -5.533 8.457 1.00 0.00 C ATOM 1499 CD1 LEU A 98 -9.502 -4.124 7.953 1.00 0.00 C ATOM 1500 CD2 LEU A 98 -9.086 -6.560 7.573 1.00 0.00 C ATOM 0 H LEU A 98 -10.119 -5.685 12.275 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.637 -7.365 10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.650 -4.811 10.474 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.232 -5.692 9.939 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.851 -5.708 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.832 -4.037 6.918 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.044 -3.406 8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.433 -3.918 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.420 -6.437 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.007 -6.417 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.336 -7.563 7.918 1.00 0.00 H new ATOM 1512 N LYS A 99 -7.766 -7.657 11.644 1.00 0.00 N ATOM 1513 CA LYS A 99 -6.629 -8.532 11.901 1.00 0.00 C ATOM 1514 C LYS A 99 -7.081 -9.865 12.494 1.00 0.00 C ATOM 1515 O LYS A 99 -6.617 -10.926 12.077 1.00 0.00 O ATOM 1516 CB LYS A 99 -5.642 -7.849 12.850 1.00 0.00 C ATOM 1517 CG LYS A 99 -4.186 -8.164 12.546 1.00 0.00 C ATOM 1518 CD LYS A 99 -3.253 -7.521 13.558 1.00 0.00 C ATOM 1519 CE LYS A 99 -3.301 -8.239 14.897 1.00 0.00 C ATOM 1520 NZ LYS A 99 -2.321 -9.358 14.964 1.00 0.00 N ATOM 0 H LYS A 99 -7.763 -6.797 12.192 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.136 -8.731 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.790 -6.770 12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.865 -8.153 13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.038 -9.244 12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.938 -7.811 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.233 -7.534 13.174 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.528 -6.475 13.695 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.095 -7.528 15.697 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.306 -8.626 15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.386 -9.821 15.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.532 -10.050 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.359 -8.986 14.829 1.00 0.00 H new ATOM 1534 N GLU A 100 -7.996 -9.806 13.459 1.00 0.00 N ATOM 1535 CA GLU A 100 -8.508 -11.021 14.086 1.00 0.00 C ATOM 1536 C GLU A 100 -9.184 -11.903 13.044 1.00 0.00 C ATOM 1537 O GLU A 100 -8.982 -13.117 13.015 1.00 0.00 O ATOM 1538 CB GLU A 100 -9.478 -10.688 15.230 1.00 0.00 C ATOM 1539 CG GLU A 100 -10.845 -10.211 14.773 1.00 0.00 C ATOM 1540 CD GLU A 100 -11.774 -11.353 14.409 1.00 0.00 C ATOM 1541 OE1 GLU A 100 -11.776 -12.371 15.133 1.00 0.00 O ATOM 1542 OE2 GLU A 100 -12.499 -11.229 13.399 1.00 0.00 O ATOM 0 H GLU A 100 -8.394 -8.939 13.820 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.667 -11.567 14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.605 -11.574 15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.029 -9.919 15.858 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.301 -9.616 15.565 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.726 -9.556 13.910 1.00 0.00 H new ATOM 1549 N PHE A 101 -9.957 -11.277 12.161 1.00 0.00 N ATOM 1550 CA PHE A 101 -10.637 -11.992 11.088 1.00 0.00 C ATOM 1551 C PHE A 101 -9.613 -12.642 10.163 1.00 0.00 C ATOM 1552 O PHE A 101 -9.781 -13.781 9.717 1.00 0.00 O ATOM 1553 CB PHE A 101 -11.526 -11.023 10.301 1.00 0.00 C ATOM 1554 CG PHE A 101 -12.351 -11.681 9.232 1.00 0.00 C ATOM 1555 CD1 PHE A 101 -13.099 -12.814 9.511 1.00 0.00 C ATOM 1556 CD2 PHE A 101 -12.380 -11.163 7.947 1.00 0.00 C ATOM 1557 CE1 PHE A 101 -13.859 -13.418 8.527 1.00 0.00 C ATOM 1558 CE2 PHE A 101 -13.138 -11.763 6.959 1.00 0.00 C ATOM 1559 CZ PHE A 101 -13.879 -12.892 7.250 1.00 0.00 C ATOM 0 H PHE A 101 -10.128 -10.271 12.169 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.263 -12.774 11.519 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -12.192 -10.511 10.996 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.897 -10.260 9.842 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -13.088 -13.229 10.508 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -11.803 -10.280 7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -14.437 -14.301 8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.151 -11.350 5.961 1.00 0.00 H new ATOM 0 HZ PHE A 101 -14.473 -13.363 6.480 1.00 0.00 H new ATOM 1569 N LEU A 102 -8.541 -11.904 9.891 1.00 0.00 N ATOM 1570 CA LEU A 102 -7.473 -12.386 9.027 1.00 0.00 C ATOM 1571 C LEU A 102 -6.799 -13.593 9.663 1.00 0.00 C ATOM 1572 O LEU A 102 -6.827 -14.691 9.114 1.00 0.00 O ATOM 1573 CB LEU A 102 -6.445 -11.276 8.793 1.00 0.00 C ATOM 1574 CG LEU A 102 -6.455 -10.662 7.393 1.00 0.00 C ATOM 1575 CD1 LEU A 102 -5.343 -9.635 7.255 1.00 0.00 C ATOM 1576 CD2 LEU A 102 -6.315 -11.746 6.336 1.00 0.00 C ATOM 0 H LEU A 102 -8.390 -10.965 10.260 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.899 -12.680 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.618 -10.483 9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.451 -11.677 8.989 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.410 -10.157 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.365 -9.208 6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.486 -8.843 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.380 -10.117 7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.324 -11.292 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.375 -12.278 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.146 -12.447 6.421 1.00 0.00 H new ATOM 1588 N ASP A 103 -6.204 -13.383 10.831 1.00 0.00 N ATOM 1589 CA ASP A 103 -5.528 -14.458 11.550 1.00 0.00 C ATOM 1590 C ASP A 103 -6.414 -15.701 11.625 1.00 0.00 C ATOM 1591 O ASP A 103 -5.923 -16.829 11.630 1.00 0.00 O ATOM 1592 CB ASP A 103 -5.156 -13.995 12.961 1.00 0.00 C ATOM 1593 CG ASP A 103 -3.842 -14.583 13.436 1.00 0.00 C ATOM 1594 OD1 ASP A 103 -2.780 -14.116 12.972 1.00 0.00 O ATOM 1595 OD2 ASP A 103 -3.875 -15.511 14.271 1.00 0.00 O ATOM 0 H ASP A 103 -6.175 -12.478 11.301 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.619 -14.715 11.007 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.091 -12.907 12.978 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.949 -14.278 13.654 1.00 0.00 H new ATOM 1600 N ALA A 104 -7.725 -15.479 11.683 1.00 0.00 N ATOM 1601 CA ALA A 104 -8.690 -16.572 11.755 1.00 0.00 C ATOM 1602 C ALA A 104 -8.791 -17.332 10.433 1.00 0.00 C ATOM 1603 O ALA A 104 -9.179 -18.501 10.412 1.00 0.00 O ATOM 1604 CB ALA A 104 -10.055 -16.042 12.165 1.00 0.00 C ATOM 0 H ALA A 104 -8.144 -14.549 11.681 1.00 0.00 H new ATOM 0 HA ALA A 104 -8.336 -17.274 12.510 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.766 -16.867 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.982 -15.566 13.143 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -10.397 -15.312 11.431 1.00 0.00 H new ATOM 1610 N ASN A 105 -8.453 -16.667 9.331 1.00 0.00 N ATOM 1611 CA ASN A 105 -8.523 -17.296 8.011 1.00 0.00 C ATOM 1612 C ASN A 105 -7.128 -17.581 7.458 1.00 0.00 C ATOM 1613 O ASN A 105 -6.935 -18.523 6.688 1.00 0.00 O ATOM 1614 CB ASN A 105 -9.291 -16.397 7.038 1.00 0.00 C ATOM 1615 CG ASN A 105 -10.172 -17.187 6.090 1.00 0.00 C ATOM 1616 OD1 ASN A 105 -10.598 -18.299 6.402 1.00 0.00 O ATOM 1617 ND2 ASN A 105 -10.449 -16.617 4.921 1.00 0.00 N ATOM 0 H ASN A 105 -8.130 -15.700 9.323 1.00 0.00 H new ATOM 0 HA ASN A 105 -9.048 -18.245 8.120 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -9.907 -15.698 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -8.582 -15.803 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -11.035 -17.103 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -10.075 -15.693 4.703 1.00 0.00 H new ATOM 1624 N LEU A 106 -6.160 -16.766 7.858 1.00 0.00 N ATOM 1625 CA LEU A 106 -4.782 -16.925 7.410 1.00 0.00 C ATOM 1626 C LEU A 106 -4.153 -18.172 8.025 1.00 0.00 C ATOM 1627 O LEU A 106 -3.930 -18.235 9.234 1.00 0.00 O ATOM 1628 CB LEU A 106 -3.972 -15.685 7.789 1.00 0.00 C ATOM 1629 CG LEU A 106 -2.692 -15.459 6.984 1.00 0.00 C ATOM 1630 CD1 LEU A 106 -1.984 -14.204 7.466 1.00 0.00 C ATOM 1631 CD2 LEU A 106 -1.768 -16.663 7.086 1.00 0.00 C ATOM 0 H LEU A 106 -6.305 -15.983 8.496 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.778 -17.042 6.326 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.610 -14.808 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.708 -15.754 8.844 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.964 -15.329 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.074 -14.054 6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.641 -13.344 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.728 -14.313 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.864 -16.478 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.501 -16.829 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.276 -17.545 6.696 1.00 0.00 H new ATOM 1643 N VAL A 107 -3.872 -19.163 7.186 1.00 0.00 N ATOM 1644 CA VAL A 107 -3.270 -20.407 7.647 1.00 0.00 C ATOM 1645 C VAL A 107 -2.569 -21.136 6.507 1.00 0.00 C ATOM 1646 O VAL A 107 -2.216 -22.320 6.690 1.00 0.00 O ATOM 1647 CB VAL A 107 -4.324 -21.344 8.268 1.00 0.00 C ATOM 1648 CG1 VAL A 107 -4.726 -20.856 9.651 1.00 0.00 C ATOM 1649 CG2 VAL A 107 -5.539 -21.456 7.360 1.00 0.00 C ATOM 0 H VAL A 107 -4.052 -19.128 6.183 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.537 -20.139 8.408 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.884 -22.336 8.373 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.471 -21.531 10.073 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.849 -20.834 10.298 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.147 -19.853 9.575 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.273 -22.122 7.815 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.981 -20.470 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.235 -21.857 6.393 1.00 0.00 H new TER 1659 VAL A 107