USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 40 THR OG1 : rot 160:sc= -2.59! USER MOD Set 1.2: A 77 ASN : amide:sc= -6.9 K(o=-9.5,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.17! F(o=-1.1,f=-0.17!) USER MOD Single : A 22 MET CE :methyl -150:sc= -3.67! (180deg=-5.04!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 130:sc= 0.12 USER MOD Single : A 29 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.0302 (180deg=-0.857) USER MOD Single : A 36 HIS : no HE2:sc= -4.07! X(o=-4.1!,f=-3.7) USER MOD Single : A 44 GLN :FLIP amide:sc= -2.39! C(o=-4.5!,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0387 (180deg=-0.259) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -104:sc= 0.81 USER MOD Single : A 55 ASN :FLIP amide:sc= -11.3! C(o=-12!,f=-11!) USER MOD Single : A 63 SER OG : rot -64:sc= 0.783 USER MOD Single : A 64 LYS NZ :NH3+ -137:sc= -0.757 (180deg=-2.87!) USER MOD Single : A 66 THR OG1 : rot 75:sc= -0.375 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0323 K(o=-0.032,f=-0.66) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.159 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.822 -6.152 25.164 1.00 0.00 N ATOM 2 CA GLY A 1 -20.246 -7.249 24.314 1.00 0.00 C ATOM 3 C GLY A 1 -20.389 -6.836 22.863 1.00 0.00 C ATOM 4 O GLY A 1 -21.373 -6.199 22.485 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.739 -6.485 26.146 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.900 -5.798 24.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.523 -5.385 25.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.524 -8.062 24.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.199 -7.636 24.674 1.00 0.00 H new ATOM 8 N SER A 2 -19.404 -7.197 22.047 1.00 0.00 N ATOM 9 CA SER A 2 -19.421 -6.855 20.629 1.00 0.00 C ATOM 10 C SER A 2 -18.945 -8.030 19.781 1.00 0.00 C ATOM 11 O SER A 2 -18.293 -8.947 20.281 1.00 0.00 O ATOM 12 CB SER A 2 -18.540 -5.632 20.367 1.00 0.00 C ATOM 13 OG SER A 2 -19.227 -4.432 20.680 1.00 0.00 O ATOM 0 H SER A 2 -18.584 -7.726 22.343 1.00 0.00 H new ATOM 0 HA SER A 2 -20.448 -6.620 20.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.631 -5.700 20.964 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.234 -5.617 19.321 1.00 0.00 H new ATOM 0 HG SER A 2 -18.642 -3.665 20.506 1.00 0.00 H new ATOM 19 N SER A 3 -19.275 -7.995 18.494 1.00 0.00 N ATOM 20 CA SER A 3 -18.884 -9.058 17.575 1.00 0.00 C ATOM 21 C SER A 3 -18.806 -8.537 16.144 1.00 0.00 C ATOM 22 O SER A 3 -19.433 -7.536 15.800 1.00 0.00 O ATOM 23 CB SER A 3 -19.878 -10.219 17.654 1.00 0.00 C ATOM 24 OG SER A 3 -19.282 -11.430 17.224 1.00 0.00 O ATOM 0 H SER A 3 -19.812 -7.242 18.064 1.00 0.00 H new ATOM 0 HA SER A 3 -17.896 -9.414 17.868 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.233 -10.329 18.679 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.749 -9.999 17.036 1.00 0.00 H new ATOM 0 HG SER A 3 -19.937 -12.157 17.286 1.00 0.00 H new ATOM 30 N GLY A 4 -18.029 -9.225 15.312 1.00 0.00 N ATOM 31 CA GLY A 4 -17.881 -8.818 13.927 1.00 0.00 C ATOM 32 C GLY A 4 -16.758 -9.553 13.223 1.00 0.00 C ATOM 33 O GLY A 4 -15.589 -9.401 13.579 1.00 0.00 O ATOM 0 H GLY A 4 -17.500 -10.057 15.573 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.816 -8.997 13.397 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.691 -7.745 13.885 1.00 0.00 H new ATOM 37 N SER A 5 -17.112 -10.353 12.223 1.00 0.00 N ATOM 38 CA SER A 5 -16.125 -11.119 11.471 1.00 0.00 C ATOM 39 C SER A 5 -16.183 -10.772 9.986 1.00 0.00 C ATOM 40 O SER A 5 -17.153 -10.178 9.514 1.00 0.00 O ATOM 41 CB SER A 5 -16.356 -12.619 11.665 1.00 0.00 C ATOM 42 OG SER A 5 -17.546 -13.039 11.021 1.00 0.00 O ATOM 0 H SER A 5 -18.075 -10.488 11.915 1.00 0.00 H new ATOM 0 HA SER A 5 -15.136 -10.859 11.849 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.507 -13.175 11.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.415 -12.846 12.729 1.00 0.00 H new ATOM 0 HG SER A 5 -17.670 -14.001 11.158 1.00 0.00 H new ATOM 48 N SER A 6 -15.138 -11.147 9.256 1.00 0.00 N ATOM 49 CA SER A 6 -15.068 -10.872 7.825 1.00 0.00 C ATOM 50 C SER A 6 -16.159 -11.627 7.073 1.00 0.00 C ATOM 51 O SER A 6 -15.997 -12.798 6.733 1.00 0.00 O ATOM 52 CB SER A 6 -13.693 -11.259 7.277 1.00 0.00 C ATOM 53 OG SER A 6 -13.658 -11.152 5.865 1.00 0.00 O ATOM 0 H SER A 6 -14.329 -11.642 9.631 1.00 0.00 H new ATOM 0 HA SER A 6 -15.222 -9.803 7.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.930 -10.614 7.713 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.454 -12.280 7.573 1.00 0.00 H new ATOM 0 HG SER A 6 -12.768 -11.403 5.540 1.00 0.00 H new ATOM 59 N GLY A 7 -17.272 -10.946 6.816 1.00 0.00 N ATOM 60 CA GLY A 7 -18.374 -11.567 6.106 1.00 0.00 C ATOM 61 C GLY A 7 -18.509 -11.057 4.685 1.00 0.00 C ATOM 62 O GLY A 7 -19.420 -10.290 4.377 1.00 0.00 O ATOM 0 H GLY A 7 -17.430 -9.975 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.228 -12.647 6.089 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.302 -11.379 6.646 1.00 0.00 H new ATOM 66 N ASN A 8 -17.598 -11.484 3.816 1.00 0.00 N ATOM 67 CA ASN A 8 -17.618 -11.063 2.419 1.00 0.00 C ATOM 68 C ASN A 8 -16.678 -11.922 1.579 1.00 0.00 C ATOM 69 O ASN A 8 -15.457 -11.853 1.728 1.00 0.00 O ATOM 70 CB ASN A 8 -17.223 -9.590 2.303 1.00 0.00 C ATOM 71 CG ASN A 8 -15.964 -9.266 3.085 1.00 0.00 C ATOM 72 OD1 ASN A 8 -16.122 -8.536 4.183 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -14.864 -9.667 2.706 1.00 0.00 N flip ATOM 0 H ASN A 8 -16.837 -12.121 4.054 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.632 -11.190 2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.070 -9.339 1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.042 -8.967 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.790 -10.225 1.856 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.026 -9.441 3.242 1.00 0.00 H new ATOM 80 N LEU A 9 -17.254 -12.729 0.696 1.00 0.00 N ATOM 81 CA LEU A 9 -16.468 -13.602 -0.170 1.00 0.00 C ATOM 82 C LEU A 9 -15.352 -12.823 -0.859 1.00 0.00 C ATOM 83 O LEU A 9 -15.487 -11.628 -1.122 1.00 0.00 O ATOM 84 CB LEU A 9 -17.369 -14.259 -1.217 1.00 0.00 C ATOM 85 CG LEU A 9 -16.655 -15.042 -2.320 1.00 0.00 C ATOM 86 CD1 LEU A 9 -16.406 -16.477 -1.881 1.00 0.00 C ATOM 87 CD2 LEU A 9 -17.465 -15.009 -3.608 1.00 0.00 C ATOM 0 H LEU A 9 -18.263 -12.798 0.560 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.016 -14.377 0.449 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.055 -14.934 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.975 -13.483 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.691 -14.569 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.897 -17.018 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.784 -16.481 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.358 -16.961 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.942 -15.571 -4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -18.444 -15.456 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.591 -13.976 -3.932 1.00 0.00 H new ATOM 99 N ASP A 10 -14.252 -13.509 -1.150 1.00 0.00 N ATOM 100 CA ASP A 10 -13.114 -12.883 -1.812 1.00 0.00 C ATOM 101 C ASP A 10 -12.956 -13.409 -3.235 1.00 0.00 C ATOM 102 O ASP A 10 -12.464 -14.517 -3.447 1.00 0.00 O ATOM 103 CB ASP A 10 -11.832 -13.135 -1.016 1.00 0.00 C ATOM 104 CG ASP A 10 -12.061 -13.084 0.481 1.00 0.00 C ATOM 105 OD1 ASP A 10 -12.817 -12.200 0.936 1.00 0.00 O ATOM 106 OD2 ASP A 10 -11.484 -13.927 1.199 1.00 0.00 O ATOM 0 H ASP A 10 -14.125 -14.499 -0.938 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.298 -11.810 -1.859 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.426 -14.110 -1.286 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.084 -12.391 -1.292 1.00 0.00 H new ATOM 111 N ALA A 11 -13.378 -12.606 -4.207 1.00 0.00 N ATOM 112 CA ALA A 11 -13.282 -12.991 -5.610 1.00 0.00 C ATOM 113 C ALA A 11 -12.394 -12.023 -6.385 1.00 0.00 C ATOM 114 O ALA A 11 -11.725 -12.410 -7.344 1.00 0.00 O ATOM 115 CB ALA A 11 -14.668 -13.054 -6.235 1.00 0.00 C ATOM 0 H ALA A 11 -13.789 -11.686 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.827 -13.980 -5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -14.582 -13.343 -7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -15.273 -13.789 -5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.143 -12.075 -6.166 1.00 0.00 H new ATOM 121 N LEU A 12 -12.392 -10.763 -5.964 1.00 0.00 N ATOM 122 CA LEU A 12 -11.586 -9.739 -6.620 1.00 0.00 C ATOM 123 C LEU A 12 -10.121 -10.157 -6.684 1.00 0.00 C ATOM 124 O LEU A 12 -9.634 -10.884 -5.817 1.00 0.00 O ATOM 125 CB LEU A 12 -11.716 -8.407 -5.878 1.00 0.00 C ATOM 126 CG LEU A 12 -12.825 -7.474 -6.364 1.00 0.00 C ATOM 127 CD1 LEU A 12 -12.500 -6.933 -7.747 1.00 0.00 C ATOM 128 CD2 LEU A 12 -14.165 -8.196 -6.372 1.00 0.00 C ATOM 0 H LEU A 12 -12.939 -10.426 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.955 -9.619 -7.639 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.882 -8.617 -4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.766 -7.878 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.893 -6.632 -5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.301 -6.271 -8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.563 -6.378 -7.710 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.403 -7.762 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.942 -7.516 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.110 -9.057 -7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.403 -8.532 -5.363 1.00 0.00 H new ATOM 140 N ARG A 13 -9.423 -9.693 -7.715 1.00 0.00 N ATOM 141 CA ARG A 13 -8.013 -10.018 -7.892 1.00 0.00 C ATOM 142 C ARG A 13 -7.127 -8.857 -7.448 1.00 0.00 C ATOM 143 O ARG A 13 -5.952 -9.045 -7.136 1.00 0.00 O ATOM 144 CB ARG A 13 -7.726 -10.362 -9.354 1.00 0.00 C ATOM 145 CG ARG A 13 -7.970 -9.207 -10.311 1.00 0.00 C ATOM 146 CD ARG A 13 -7.124 -9.336 -11.568 1.00 0.00 C ATOM 147 NE ARG A 13 -5.832 -8.671 -11.428 1.00 0.00 N ATOM 148 CZ ARG A 13 -5.648 -7.371 -11.631 1.00 0.00 C ATOM 149 NH1 ARG A 13 -6.669 -6.601 -11.980 1.00 0.00 N ATOM 150 NH2 ARG A 13 -4.442 -6.839 -11.484 1.00 0.00 N ATOM 0 H ARG A 13 -9.811 -9.091 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.786 -10.884 -7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.689 -10.686 -9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.350 -11.205 -9.649 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.025 -9.175 -10.583 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.741 -8.265 -9.812 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.966 -10.391 -11.792 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.663 -8.907 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.026 -9.236 -11.160 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.598 -7.006 -12.093 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.525 -5.603 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.654 -7.428 -11.215 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.302 -5.841 -11.640 1.00 0.00 H new ATOM 164 N GLU A 14 -7.700 -7.658 -7.425 1.00 0.00 N ATOM 165 CA GLU A 14 -6.962 -6.467 -7.021 1.00 0.00 C ATOM 166 C GLU A 14 -6.641 -6.505 -5.530 1.00 0.00 C ATOM 167 O GLU A 14 -7.238 -7.272 -4.774 1.00 0.00 O ATOM 168 CB GLU A 14 -7.765 -5.206 -7.349 1.00 0.00 C ATOM 169 CG GLU A 14 -6.923 -3.942 -7.393 1.00 0.00 C ATOM 170 CD GLU A 14 -5.678 -4.101 -8.244 1.00 0.00 C ATOM 171 OE1 GLU A 14 -4.665 -4.612 -7.724 1.00 0.00 O ATOM 172 OE2 GLU A 14 -5.718 -3.713 -9.431 1.00 0.00 O ATOM 0 H GLU A 14 -8.672 -7.486 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.024 -6.447 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.256 -5.339 -8.313 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.552 -5.083 -6.605 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.525 -3.122 -7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.633 -3.667 -6.379 1.00 0.00 H new ATOM 179 N VAL A 15 -5.692 -5.672 -5.113 1.00 0.00 N ATOM 180 CA VAL A 15 -5.291 -5.609 -3.713 1.00 0.00 C ATOM 181 C VAL A 15 -5.935 -4.420 -3.009 1.00 0.00 C ATOM 182 O VAL A 15 -5.330 -3.801 -2.133 1.00 0.00 O ATOM 183 CB VAL A 15 -3.760 -5.508 -3.572 1.00 0.00 C ATOM 184 CG1 VAL A 15 -3.087 -6.734 -4.169 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.248 -4.235 -4.229 1.00 0.00 C ATOM 0 H VAL A 15 -5.187 -5.032 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.632 -6.532 -3.244 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.512 -5.467 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.006 -6.645 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.432 -7.628 -3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.340 -6.809 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.165 -4.180 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.506 -4.243 -5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.705 -3.369 -3.750 1.00 0.00 H new ATOM 195 N LEU A 16 -7.166 -4.106 -3.398 1.00 0.00 N ATOM 196 CA LEU A 16 -7.894 -2.990 -2.804 1.00 0.00 C ATOM 197 C LEU A 16 -7.664 -2.930 -1.297 1.00 0.00 C ATOM 198 O LEU A 16 -7.762 -1.866 -0.687 1.00 0.00 O ATOM 199 CB LEU A 16 -9.390 -3.117 -3.098 1.00 0.00 C ATOM 200 CG LEU A 16 -9.774 -3.264 -4.571 1.00 0.00 C ATOM 201 CD1 LEU A 16 -11.183 -3.821 -4.702 1.00 0.00 C ATOM 202 CD2 LEU A 16 -9.658 -1.926 -5.288 1.00 0.00 C ATOM 0 H LEU A 16 -7.681 -4.608 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.520 -2.067 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.775 -3.980 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.895 -2.238 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.083 -3.966 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.439 -3.919 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.233 -4.799 -4.224 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.888 -3.145 -4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.935 -2.049 -6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.325 -1.203 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.631 -1.567 -5.224 1.00 0.00 H new ATOM 214 N GLU A 17 -7.355 -4.079 -0.704 1.00 0.00 N ATOM 215 CA GLU A 17 -7.109 -4.156 0.731 1.00 0.00 C ATOM 216 C GLU A 17 -5.619 -4.318 1.020 1.00 0.00 C ATOM 217 O GLU A 17 -4.889 -4.939 0.247 1.00 0.00 O ATOM 218 CB GLU A 17 -7.888 -5.322 1.343 1.00 0.00 C ATOM 219 CG GLU A 17 -9.261 -4.930 1.862 1.00 0.00 C ATOM 220 CD GLU A 17 -10.246 -6.083 1.835 1.00 0.00 C ATOM 221 OE1 GLU A 17 -9.809 -7.240 2.009 1.00 0.00 O ATOM 222 OE2 GLU A 17 -11.453 -5.829 1.639 1.00 0.00 O ATOM 0 H GLU A 17 -7.269 -4.969 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.450 -3.224 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.002 -6.105 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.307 -5.747 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.167 -4.561 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.652 -4.109 1.261 1.00 0.00 H new ATOM 229 N CYS A 18 -5.175 -3.755 2.139 1.00 0.00 N ATOM 230 CA CYS A 18 -3.773 -3.835 2.531 1.00 0.00 C ATOM 231 C CYS A 18 -3.391 -5.267 2.894 1.00 0.00 C ATOM 232 O CYS A 18 -4.118 -5.971 3.595 1.00 0.00 O ATOM 233 CB CYS A 18 -3.500 -2.906 3.716 1.00 0.00 C ATOM 234 SG CYS A 18 -1.773 -2.928 4.295 1.00 0.00 S ATOM 0 H CYS A 18 -5.766 -3.238 2.790 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.165 -3.520 1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.764 -1.887 3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.153 -3.187 4.542 1.00 0.00 H new ATOM 239 N PRO A 19 -2.222 -5.709 2.407 1.00 0.00 N ATOM 240 CA PRO A 19 -1.716 -7.060 2.668 1.00 0.00 C ATOM 241 C PRO A 19 -1.295 -7.250 4.121 1.00 0.00 C ATOM 242 O PRO A 19 -0.825 -8.322 4.505 1.00 0.00 O ATOM 243 CB PRO A 19 -0.503 -7.169 1.741 1.00 0.00 C ATOM 244 CG PRO A 19 -0.057 -5.762 1.534 1.00 0.00 C ATOM 245 CD PRO A 19 -1.304 -4.924 1.565 1.00 0.00 C ATOM 0 HA PRO A 19 -2.475 -7.822 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 19 0.286 -7.772 2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.768 -7.643 0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.639 -5.455 2.314 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.463 -5.653 0.582 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.115 -3.938 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.709 -4.769 0.565 1.00 0.00 H new ATOM 253 N ILE A 20 -1.467 -6.206 4.924 1.00 0.00 N ATOM 254 CA ILE A 20 -1.106 -6.260 6.335 1.00 0.00 C ATOM 255 C ILE A 20 -2.338 -6.130 7.224 1.00 0.00 C ATOM 256 O ILE A 20 -2.805 -7.110 7.805 1.00 0.00 O ATOM 257 CB ILE A 20 -0.102 -5.151 6.703 1.00 0.00 C ATOM 258 CG1 ILE A 20 1.158 -5.268 5.843 1.00 0.00 C ATOM 259 CG2 ILE A 20 0.251 -5.225 8.181 1.00 0.00 C ATOM 260 CD1 ILE A 20 2.244 -4.288 6.226 1.00 0.00 C ATOM 0 H ILE A 20 -1.854 -5.312 4.622 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.640 -7.231 6.504 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.564 -4.183 6.508 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.550 -6.282 5.923 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.891 -5.111 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.961 -4.435 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.652 -5.098 8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.697 -6.195 8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.107 -4.428 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.870 -3.270 6.119 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.539 -4.459 7.261 1.00 0.00 H new ATOM 272 N CYS A 21 -2.863 -4.913 7.322 1.00 0.00 N ATOM 273 CA CYS A 21 -4.043 -4.653 8.138 1.00 0.00 C ATOM 274 C CYS A 21 -5.301 -5.196 7.465 1.00 0.00 C ATOM 275 O CYS A 21 -6.289 -5.505 8.131 1.00 0.00 O ATOM 276 CB CYS A 21 -4.195 -3.151 8.389 1.00 0.00 C ATOM 277 SG CYS A 21 -4.188 -2.140 6.874 1.00 0.00 S ATOM 0 H CYS A 21 -2.490 -4.091 6.846 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.913 -5.163 9.092 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.127 -2.976 8.926 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.386 -2.818 9.039 1.00 0.00 H new ATOM 282 N MET A 22 -5.255 -5.310 6.142 1.00 0.00 N ATOM 283 CA MET A 22 -6.389 -5.818 5.379 1.00 0.00 C ATOM 284 C MET A 22 -7.589 -4.884 5.502 1.00 0.00 C ATOM 285 O MET A 22 -8.710 -5.329 5.745 1.00 0.00 O ATOM 286 CB MET A 22 -6.768 -7.220 5.860 1.00 0.00 C ATOM 287 CG MET A 22 -5.680 -8.256 5.628 1.00 0.00 C ATOM 288 SD MET A 22 -5.610 -8.819 3.917 1.00 0.00 S ATOM 289 CE MET A 22 -3.907 -9.362 3.809 1.00 0.00 C ATOM 0 H MET A 22 -4.445 -5.058 5.576 1.00 0.00 H new ATOM 0 HA MET A 22 -6.096 -5.868 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.999 -7.180 6.924 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.676 -7.538 5.348 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.715 -7.832 5.907 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.853 -9.111 6.281 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.548 -9.232 2.788 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.293 -8.770 4.488 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.842 -10.414 4.085 1.00 0.00 H new ATOM 299 N GLU A 23 -7.344 -3.588 5.335 1.00 0.00 N ATOM 300 CA GLU A 23 -8.405 -2.593 5.429 1.00 0.00 C ATOM 301 C GLU A 23 -8.557 -1.833 4.114 1.00 0.00 C ATOM 302 O GLU A 23 -7.605 -1.232 3.618 1.00 0.00 O ATOM 303 CB GLU A 23 -8.115 -1.611 6.566 1.00 0.00 C ATOM 304 CG GLU A 23 -8.501 -2.139 7.938 1.00 0.00 C ATOM 305 CD GLU A 23 -8.521 -1.053 8.996 1.00 0.00 C ATOM 306 OE1 GLU A 23 -9.510 -0.292 9.048 1.00 0.00 O ATOM 307 OE2 GLU A 23 -7.547 -0.964 9.773 1.00 0.00 O ATOM 0 H GLU A 23 -6.421 -3.203 5.134 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.339 -3.115 5.638 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.052 -1.370 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.653 -0.682 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.485 -2.604 7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.798 -2.917 8.235 1.00 0.00 H new ATOM 314 N SER A 24 -9.762 -1.867 3.553 1.00 0.00 N ATOM 315 CA SER A 24 -10.039 -1.186 2.294 1.00 0.00 C ATOM 316 C SER A 24 -9.412 0.205 2.279 1.00 0.00 C ATOM 317 O SER A 24 -9.857 1.107 2.988 1.00 0.00 O ATOM 318 CB SER A 24 -11.548 -1.079 2.068 1.00 0.00 C ATOM 319 OG SER A 24 -12.168 -2.351 2.156 1.00 0.00 O ATOM 0 H SER A 24 -10.562 -2.359 3.951 1.00 0.00 H new ATOM 0 HA SER A 24 -9.599 -1.773 1.488 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.983 -0.407 2.808 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.742 -0.643 1.088 1.00 0.00 H new ATOM 0 HG SER A 24 -13.132 -2.256 2.010 1.00 0.00 H new ATOM 325 N PHE A 25 -8.374 0.370 1.466 1.00 0.00 N ATOM 326 CA PHE A 25 -7.683 1.649 1.358 1.00 0.00 C ATOM 327 C PHE A 25 -8.681 2.800 1.260 1.00 0.00 C ATOM 328 O PHE A 25 -9.480 2.867 0.326 1.00 0.00 O ATOM 329 CB PHE A 25 -6.761 1.654 0.136 1.00 0.00 C ATOM 330 CG PHE A 25 -5.658 0.637 0.213 1.00 0.00 C ATOM 331 CD1 PHE A 25 -4.812 0.596 1.310 1.00 0.00 C ATOM 332 CD2 PHE A 25 -5.468 -0.277 -0.810 1.00 0.00 C ATOM 333 CE1 PHE A 25 -3.796 -0.338 1.383 1.00 0.00 C ATOM 334 CE2 PHE A 25 -4.454 -1.214 -0.742 1.00 0.00 C ATOM 335 CZ PHE A 25 -3.618 -1.245 0.356 1.00 0.00 C ATOM 0 H PHE A 25 -7.993 -0.367 0.872 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.083 1.786 2.258 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.355 1.467 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.323 2.646 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.948 1.301 2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.120 -0.257 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.142 -0.359 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.316 -1.921 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.826 -1.977 0.412 1.00 0.00 H new ATOM 345 N THR A 26 -8.629 3.704 2.234 1.00 0.00 N ATOM 346 CA THR A 26 -9.529 4.850 2.260 1.00 0.00 C ATOM 347 C THR A 26 -8.884 6.070 1.611 1.00 0.00 C ATOM 348 O THR A 26 -7.786 5.984 1.063 1.00 0.00 O ATOM 349 CB THR A 26 -9.942 5.207 3.701 1.00 0.00 C ATOM 350 OG1 THR A 26 -8.993 6.116 4.271 1.00 0.00 O ATOM 351 CG2 THR A 26 -10.036 3.957 4.562 1.00 0.00 C ATOM 0 H THR A 26 -7.973 3.664 3.014 1.00 0.00 H new ATOM 0 HA THR A 26 -10.417 4.568 1.695 1.00 0.00 H new ATOM 0 HB THR A 26 -10.923 5.680 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.466 6.881 4.661 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.329 4.234 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.780 3.280 4.141 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.067 3.459 4.588 1.00 0.00 H new ATOM 359 N GLU A 27 -9.574 7.204 1.678 1.00 0.00 N ATOM 360 CA GLU A 27 -9.067 8.441 1.096 1.00 0.00 C ATOM 361 C GLU A 27 -8.018 9.079 2.003 1.00 0.00 C ATOM 362 O GLU A 27 -7.037 9.650 1.527 1.00 0.00 O ATOM 363 CB GLU A 27 -10.214 9.425 0.855 1.00 0.00 C ATOM 364 CG GLU A 27 -10.971 9.171 -0.437 1.00 0.00 C ATOM 365 CD GLU A 27 -10.174 9.560 -1.667 1.00 0.00 C ATOM 366 OE1 GLU A 27 -9.450 10.575 -1.609 1.00 0.00 O ATOM 367 OE2 GLU A 27 -10.274 8.847 -2.688 1.00 0.00 O ATOM 0 H GLU A 27 -10.485 7.292 2.129 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.599 8.198 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.911 9.370 1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.815 10.439 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.234 8.115 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.906 9.732 -0.422 1.00 0.00 H new ATOM 374 N GLU A 28 -8.233 8.977 3.311 1.00 0.00 N ATOM 375 CA GLU A 28 -7.307 9.545 4.283 1.00 0.00 C ATOM 376 C GLU A 28 -6.954 8.523 5.360 1.00 0.00 C ATOM 377 O GLU A 28 -5.792 8.152 5.520 1.00 0.00 O ATOM 378 CB GLU A 28 -7.912 10.793 4.929 1.00 0.00 C ATOM 379 CG GLU A 28 -7.827 12.033 4.055 1.00 0.00 C ATOM 380 CD GLU A 28 -8.981 12.138 3.077 1.00 0.00 C ATOM 381 OE1 GLU A 28 -10.144 12.132 3.530 1.00 0.00 O ATOM 382 OE2 GLU A 28 -8.721 12.227 1.859 1.00 0.00 O ATOM 0 H GLU A 28 -9.040 8.507 3.721 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.394 9.823 3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.958 10.598 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.401 10.988 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.811 12.919 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.888 12.020 3.502 1.00 0.00 H new ATOM 389 N GLN A 29 -7.966 8.072 6.094 1.00 0.00 N ATOM 390 CA GLN A 29 -7.762 7.094 7.156 1.00 0.00 C ATOM 391 C GLN A 29 -6.612 6.152 6.816 1.00 0.00 C ATOM 392 O GLN A 29 -5.613 6.090 7.533 1.00 0.00 O ATOM 393 CB GLN A 29 -9.043 6.291 7.391 1.00 0.00 C ATOM 394 CG GLN A 29 -9.010 5.450 8.657 1.00 0.00 C ATOM 395 CD GLN A 29 -8.995 6.292 9.917 1.00 0.00 C ATOM 396 OE1 GLN A 29 -9.096 7.518 9.860 1.00 0.00 O ATOM 397 NE2 GLN A 29 -8.871 5.637 11.066 1.00 0.00 N ATOM 0 H GLN A 29 -8.935 8.368 5.973 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.507 7.633 8.068 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.888 6.978 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.215 5.638 6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.879 4.792 8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.127 4.811 8.641 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.790 4.620 11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.857 6.151 11.947 1.00 0.00 H new ATOM 406 N LEU A 30 -6.760 5.420 5.717 1.00 0.00 N ATOM 407 CA LEU A 30 -5.734 4.479 5.281 1.00 0.00 C ATOM 408 C LEU A 30 -5.389 4.694 3.810 1.00 0.00 C ATOM 409 O LEU A 30 -5.871 3.971 2.938 1.00 0.00 O ATOM 410 CB LEU A 30 -6.205 3.041 5.501 1.00 0.00 C ATOM 411 CG LEU A 30 -6.558 2.664 6.940 1.00 0.00 C ATOM 412 CD1 LEU A 30 -7.596 1.553 6.962 1.00 0.00 C ATOM 413 CD2 LEU A 30 -5.309 2.244 7.703 1.00 0.00 C ATOM 0 H LEU A 30 -7.580 5.460 5.112 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.838 4.655 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.081 2.867 4.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.424 2.366 5.151 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.983 3.540 7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.834 1.298 7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.499 1.889 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.199 0.674 6.454 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.579 1.979 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.856 1.383 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.597 3.069 7.718 1.00 0.00 H new ATOM 425 N ARG A 31 -4.550 5.690 3.544 1.00 0.00 N ATOM 426 CA ARG A 31 -4.140 5.998 2.179 1.00 0.00 C ATOM 427 C ARG A 31 -3.177 4.941 1.649 1.00 0.00 C ATOM 428 O ARG A 31 -2.205 4.565 2.306 1.00 0.00 O ATOM 429 CB ARG A 31 -3.482 7.378 2.122 1.00 0.00 C ATOM 430 CG ARG A 31 -4.456 8.506 1.826 1.00 0.00 C ATOM 431 CD ARG A 31 -4.568 8.769 0.332 1.00 0.00 C ATOM 432 NE ARG A 31 -4.926 10.155 0.046 1.00 0.00 N ATOM 433 CZ ARG A 31 -4.644 10.766 -1.100 1.00 0.00 C ATOM 434 NH1 ARG A 31 -4.003 10.115 -2.061 1.00 0.00 N ATOM 435 NH2 ARG A 31 -5.004 12.029 -1.286 1.00 0.00 N ATOM 0 H ARG A 31 -4.141 6.297 4.255 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.030 6.001 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.989 7.576 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.706 7.370 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.438 8.255 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.128 9.414 2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.619 8.533 -0.150 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.318 8.105 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.420 10.684 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.725 9.143 -1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.788 10.586 -2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.498 12.532 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.787 12.497 -2.166 1.00 0.00 H new ATOM 449 N PRO A 32 -3.450 4.447 0.432 1.00 0.00 N ATOM 450 CA PRO A 32 -2.620 3.426 -0.214 1.00 0.00 C ATOM 451 C PRO A 32 -1.257 3.967 -0.632 1.00 0.00 C ATOM 452 O PRO A 32 -1.149 5.083 -1.142 1.00 0.00 O ATOM 453 CB PRO A 32 -3.438 3.030 -1.445 1.00 0.00 C ATOM 454 CG PRO A 32 -4.282 4.222 -1.739 1.00 0.00 C ATOM 455 CD PRO A 32 -4.591 4.849 -0.408 1.00 0.00 C ATOM 0 HA PRO A 32 -2.403 2.594 0.456 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.792 2.785 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.051 2.150 -1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.756 4.922 -2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.197 3.934 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.672 5.933 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.536 4.487 -0.003 1.00 0.00 H new ATOM 463 N LYS A 33 -0.217 3.170 -0.414 1.00 0.00 N ATOM 464 CA LYS A 33 1.141 3.567 -0.769 1.00 0.00 C ATOM 465 C LYS A 33 1.871 2.432 -1.480 1.00 0.00 C ATOM 466 O LYS A 33 1.813 1.278 -1.053 1.00 0.00 O ATOM 467 CB LYS A 33 1.917 3.981 0.483 1.00 0.00 C ATOM 468 CG LYS A 33 1.175 4.977 1.357 1.00 0.00 C ATOM 469 CD LYS A 33 1.015 6.319 0.661 1.00 0.00 C ATOM 470 CE LYS A 33 2.148 7.269 1.016 1.00 0.00 C ATOM 471 NZ LYS A 33 1.895 8.647 0.511 1.00 0.00 N ATOM 0 H LYS A 33 -0.288 2.244 0.007 1.00 0.00 H new ATOM 0 HA LYS A 33 1.079 4.417 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.142 3.091 1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.871 4.414 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.193 4.578 1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.715 5.114 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.989 6.169 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.062 6.766 0.944 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.273 7.296 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.081 6.894 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.392 9.334 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.243 8.728 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.874 8.843 0.532 1.00 0.00 H new ATOM 485 N LEU A 34 2.558 2.766 -2.567 1.00 0.00 N ATOM 486 CA LEU A 34 3.302 1.775 -3.337 1.00 0.00 C ATOM 487 C LEU A 34 4.801 1.903 -3.086 1.00 0.00 C ATOM 488 O LEU A 34 5.377 2.981 -3.242 1.00 0.00 O ATOM 489 CB LEU A 34 3.007 1.934 -4.830 1.00 0.00 C ATOM 490 CG LEU A 34 3.148 0.671 -5.680 1.00 0.00 C ATOM 491 CD1 LEU A 34 2.503 -0.516 -4.983 1.00 0.00 C ATOM 492 CD2 LEU A 34 2.533 0.883 -7.056 1.00 0.00 C ATOM 0 H LEU A 34 2.615 3.716 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 34 2.982 0.785 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.990 2.311 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.675 2.695 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 34 4.209 0.458 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.613 -1.406 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.989 -0.681 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.444 -0.313 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.642 -0.026 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.475 1.121 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.041 1.706 -7.559 1.00 0.00 H new ATOM 504 N LEU A 35 5.427 0.798 -2.700 1.00 0.00 N ATOM 505 CA LEU A 35 6.861 0.785 -2.430 1.00 0.00 C ATOM 506 C LEU A 35 7.657 0.624 -3.721 1.00 0.00 C ATOM 507 O LEU A 35 7.117 0.209 -4.747 1.00 0.00 O ATOM 508 CB LEU A 35 7.207 -0.345 -1.459 1.00 0.00 C ATOM 509 CG LEU A 35 6.554 -0.268 -0.079 1.00 0.00 C ATOM 510 CD1 LEU A 35 6.901 -1.499 0.745 1.00 0.00 C ATOM 511 CD2 LEU A 35 6.985 0.999 0.645 1.00 0.00 C ATOM 0 H LEU A 35 4.965 -0.101 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 35 7.129 1.739 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.925 -1.292 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.289 -0.364 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 35 5.472 -0.237 -0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.428 -1.427 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.542 -2.392 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.982 -1.561 0.869 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.510 1.037 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 35 8.068 0.998 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.685 1.870 0.063 1.00 0.00 H new ATOM 523 N HIS A 36 8.943 0.953 -3.662 1.00 0.00 N ATOM 524 CA HIS A 36 9.815 0.842 -4.826 1.00 0.00 C ATOM 525 C HIS A 36 9.898 -0.604 -5.307 1.00 0.00 C ATOM 526 O HIS A 36 10.471 -0.887 -6.360 1.00 0.00 O ATOM 527 CB HIS A 36 11.214 1.361 -4.494 1.00 0.00 C ATOM 528 CG HIS A 36 11.247 2.822 -4.163 1.00 0.00 C ATOM 529 ND1 HIS A 36 12.377 3.600 -4.306 1.00 0.00 N ATOM 530 CD2 HIS A 36 10.280 3.646 -3.697 1.00 0.00 C ATOM 531 CE1 HIS A 36 12.104 4.840 -3.939 1.00 0.00 C ATOM 532 NE2 HIS A 36 10.838 4.894 -3.566 1.00 0.00 N ATOM 0 H HIS A 36 9.405 1.299 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 36 9.390 1.449 -5.625 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.612 0.797 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.873 1.174 -5.342 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.282 3.270 -4.642 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.260 3.373 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.798 5.668 -3.943 1.00 0.00 H new ATOM 540 N CYS A 37 9.322 -1.515 -4.529 1.00 0.00 N ATOM 541 CA CYS A 37 9.331 -2.931 -4.874 1.00 0.00 C ATOM 542 C CYS A 37 8.115 -3.293 -5.722 1.00 0.00 C ATOM 543 O CYS A 37 8.235 -3.972 -6.741 1.00 0.00 O ATOM 544 CB CYS A 37 9.355 -3.787 -3.606 1.00 0.00 C ATOM 545 SG CYS A 37 7.881 -3.594 -2.552 1.00 0.00 S ATOM 0 H CYS A 37 8.843 -1.297 -3.655 1.00 0.00 H new ATOM 0 HA CYS A 37 10.230 -3.131 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 9.451 -4.835 -3.890 1.00 0.00 H new ATOM 0 HB3 CYS A 37 10.241 -3.531 -3.024 1.00 0.00 H new ATOM 550 N GLY A 38 6.944 -2.832 -5.293 1.00 0.00 N ATOM 551 CA GLY A 38 5.723 -3.117 -6.024 1.00 0.00 C ATOM 552 C GLY A 38 4.541 -3.362 -5.106 1.00 0.00 C ATOM 553 O GLY A 38 3.400 -3.065 -5.459 1.00 0.00 O ATOM 0 H GLY A 38 6.819 -2.267 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.497 -2.282 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.877 -3.993 -6.655 1.00 0.00 H new ATOM 557 N HIS A 39 4.815 -3.907 -3.925 1.00 0.00 N ATOM 558 CA HIS A 39 3.765 -4.193 -2.954 1.00 0.00 C ATOM 559 C HIS A 39 3.059 -2.911 -2.523 1.00 0.00 C ATOM 560 O HIS A 39 3.676 -1.849 -2.433 1.00 0.00 O ATOM 561 CB HIS A 39 4.351 -4.901 -1.732 1.00 0.00 C ATOM 562 CG HIS A 39 4.765 -6.315 -2.001 1.00 0.00 C ATOM 563 ND1 HIS A 39 5.970 -6.839 -1.584 1.00 0.00 N ATOM 564 CD2 HIS A 39 4.124 -7.318 -2.647 1.00 0.00 C ATOM 565 CE1 HIS A 39 6.055 -8.101 -1.964 1.00 0.00 C ATOM 566 NE2 HIS A 39 4.947 -8.417 -2.610 1.00 0.00 N ATOM 0 H HIS A 39 5.754 -4.159 -3.618 1.00 0.00 H new ATOM 0 HA HIS A 39 3.034 -4.847 -3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.215 -4.339 -1.376 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.614 -4.893 -0.929 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.148 -7.264 -3.106 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.889 -8.762 -1.778 1.00 0.00 H new ATOM 0 HE2 HIS A 39 4.737 -9.329 -3.015 1.00 0.00 H new ATOM 574 N THR A 40 1.760 -3.016 -2.259 1.00 0.00 N ATOM 575 CA THR A 40 0.970 -1.866 -1.841 1.00 0.00 C ATOM 576 C THR A 40 0.566 -1.980 -0.375 1.00 0.00 C ATOM 577 O THR A 40 -0.072 -2.953 0.029 1.00 0.00 O ATOM 578 CB THR A 40 -0.299 -1.713 -2.700 1.00 0.00 C ATOM 579 OG1 THR A 40 0.056 -1.597 -4.083 1.00 0.00 O ATOM 580 CG2 THR A 40 -1.099 -0.492 -2.273 1.00 0.00 C ATOM 0 H THR A 40 1.233 -3.887 -2.328 1.00 0.00 H new ATOM 0 HA THR A 40 1.599 -0.986 -1.975 1.00 0.00 H new ATOM 0 HB THR A 40 -0.916 -2.600 -2.557 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.719 -1.820 -4.640 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.990 -0.405 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.393 -0.597 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.487 0.403 -2.389 1.00 0.00 H new ATOM 588 N ILE A 41 0.941 -0.981 0.417 1.00 0.00 N ATOM 589 CA ILE A 41 0.616 -0.969 1.837 1.00 0.00 C ATOM 590 C ILE A 41 0.034 0.376 2.257 1.00 0.00 C ATOM 591 O ILE A 41 0.403 1.420 1.718 1.00 0.00 O ATOM 592 CB ILE A 41 1.855 -1.272 2.701 1.00 0.00 C ATOM 593 CG1 ILE A 41 2.601 -2.490 2.151 1.00 0.00 C ATOM 594 CG2 ILE A 41 1.448 -1.503 4.148 1.00 0.00 C ATOM 595 CD1 ILE A 41 3.779 -2.911 3.001 1.00 0.00 C ATOM 0 H ILE A 41 1.470 -0.169 0.099 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.128 -1.750 1.997 1.00 0.00 H new ATOM 0 HB ILE A 41 2.524 -0.412 2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.906 -3.325 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.952 -2.267 1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.334 -1.716 4.746 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.956 -0.611 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.762 -2.348 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.260 -3.780 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.495 -2.091 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.432 -3.166 4.002 1.00 0.00 H new ATOM 607 N CYS A 42 -0.876 0.345 3.225 1.00 0.00 N ATOM 608 CA CYS A 42 -1.508 1.562 3.720 1.00 0.00 C ATOM 609 C CYS A 42 -0.525 2.391 4.542 1.00 0.00 C ATOM 610 O CYS A 42 0.303 1.846 5.272 1.00 0.00 O ATOM 611 CB CYS A 42 -2.734 1.216 4.569 1.00 0.00 C ATOM 612 SG CYS A 42 -2.335 0.455 6.175 1.00 0.00 S ATOM 0 H CYS A 42 -1.192 -0.510 3.682 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.824 2.153 2.860 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.311 2.125 4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.373 0.536 4.005 1.00 0.00 H new ATOM 617 N ARG A 43 -0.623 3.710 4.416 1.00 0.00 N ATOM 618 CA ARG A 43 0.258 4.614 5.146 1.00 0.00 C ATOM 619 C ARG A 43 0.369 4.201 6.611 1.00 0.00 C ATOM 620 O ARG A 43 1.428 4.332 7.223 1.00 0.00 O ATOM 621 CB ARG A 43 -0.257 6.052 5.048 1.00 0.00 C ATOM 622 CG ARG A 43 -1.428 6.343 5.971 1.00 0.00 C ATOM 623 CD ARG A 43 -0.959 6.890 7.310 1.00 0.00 C ATOM 624 NE ARG A 43 -2.072 7.128 8.225 1.00 0.00 N ATOM 625 CZ ARG A 43 -1.952 7.117 9.548 1.00 0.00 C ATOM 626 NH1 ARG A 43 -0.773 6.882 10.107 1.00 0.00 N ATOM 627 NH2 ARG A 43 -3.012 7.342 10.314 1.00 0.00 N ATOM 0 H ARG A 43 -1.303 4.177 3.816 1.00 0.00 H new ATOM 0 HA ARG A 43 1.249 4.558 4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.558 6.737 5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.557 6.252 4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.096 7.062 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.003 5.431 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.261 6.187 7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.415 7.821 7.151 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.992 7.313 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.044 6.709 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.683 6.874 11.123 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.920 7.524 9.887 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.918 7.333 11.330 1.00 0.00 H new ATOM 641 N GLN A 44 -0.732 3.703 7.164 1.00 0.00 N ATOM 642 CA GLN A 44 -0.758 3.273 8.557 1.00 0.00 C ATOM 643 C GLN A 44 0.346 2.257 8.834 1.00 0.00 C ATOM 644 O GLN A 44 1.140 2.424 9.760 1.00 0.00 O ATOM 645 CB GLN A 44 -2.121 2.669 8.901 1.00 0.00 C ATOM 646 CG GLN A 44 -2.085 1.725 10.092 1.00 0.00 C ATOM 647 CD GLN A 44 -3.470 1.351 10.582 1.00 0.00 C ATOM 648 OE1 GLN A 44 -4.244 0.693 9.726 1.00 0.00 O flip ATOM 649 NE2 GLN A 44 -3.842 1.651 11.717 1.00 0.00 N flip ATOM 0 H GLN A 44 -1.617 3.587 6.670 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.587 4.148 9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.825 3.475 9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.500 2.131 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.544 0.819 9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.530 2.193 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.215 2.157 12.342 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.777 1.393 12.032 1.00 0.00 H new ATOM 658 N CYS A 45 0.389 1.203 8.025 1.00 0.00 N ATOM 659 CA CYS A 45 1.395 0.159 8.182 1.00 0.00 C ATOM 660 C CYS A 45 2.777 0.671 7.788 1.00 0.00 C ATOM 661 O CYS A 45 3.763 0.428 8.485 1.00 0.00 O ATOM 662 CB CYS A 45 1.030 -1.061 7.334 1.00 0.00 C ATOM 663 SG CYS A 45 -0.388 -2.012 7.971 1.00 0.00 S ATOM 0 H CYS A 45 -0.261 1.050 7.254 1.00 0.00 H new ATOM 0 HA CYS A 45 1.421 -0.131 9.232 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.806 -0.731 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.897 -1.719 7.271 1.00 0.00 H new ATOM 668 N LEU A 46 2.841 1.381 6.667 1.00 0.00 N ATOM 669 CA LEU A 46 4.102 1.928 6.179 1.00 0.00 C ATOM 670 C LEU A 46 4.733 2.851 7.217 1.00 0.00 C ATOM 671 O LEU A 46 5.950 2.855 7.399 1.00 0.00 O ATOM 672 CB LEU A 46 3.878 2.691 4.872 1.00 0.00 C ATOM 673 CG LEU A 46 5.129 3.270 4.210 1.00 0.00 C ATOM 674 CD1 LEU A 46 5.695 2.294 3.191 1.00 0.00 C ATOM 675 CD2 LEU A 46 4.813 4.606 3.553 1.00 0.00 C ATOM 0 H LEU A 46 2.035 1.591 6.079 1.00 0.00 H new ATOM 0 HA LEU A 46 4.783 1.097 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.393 2.021 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.183 3.508 5.066 1.00 0.00 H new ATOM 0 HG LEU A 46 5.882 3.435 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.585 2.724 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.959 1.361 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.948 2.097 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.714 5.004 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.043 4.465 2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.455 5.307 4.307 1.00 0.00 H new ATOM 687 N GLU A 47 3.897 3.630 7.896 1.00 0.00 N ATOM 688 CA GLU A 47 4.374 4.555 8.917 1.00 0.00 C ATOM 689 C GLU A 47 5.108 3.809 10.027 1.00 0.00 C ATOM 690 O GLU A 47 6.252 4.126 10.353 1.00 0.00 O ATOM 691 CB GLU A 47 3.204 5.346 9.506 1.00 0.00 C ATOM 692 CG GLU A 47 2.781 6.532 8.655 1.00 0.00 C ATOM 693 CD GLU A 47 3.780 7.672 8.704 1.00 0.00 C ATOM 694 OE1 GLU A 47 4.989 7.408 8.530 1.00 0.00 O ATOM 695 OE2 GLU A 47 3.354 8.826 8.918 1.00 0.00 O ATOM 0 H GLU A 47 2.886 3.639 7.758 1.00 0.00 H new ATOM 0 HA GLU A 47 5.071 5.248 8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.352 4.678 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.480 5.702 10.499 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.657 6.207 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.810 6.890 8.995 1.00 0.00 H new ATOM 702 N LYS A 48 4.441 2.815 10.605 1.00 0.00 N ATOM 703 CA LYS A 48 5.028 2.022 11.678 1.00 0.00 C ATOM 704 C LYS A 48 6.462 1.625 11.340 1.00 0.00 C ATOM 705 O LYS A 48 7.335 1.612 12.209 1.00 0.00 O ATOM 706 CB LYS A 48 4.187 0.769 11.933 1.00 0.00 C ATOM 707 CG LYS A 48 3.158 0.942 13.036 1.00 0.00 C ATOM 708 CD LYS A 48 1.874 1.560 12.509 1.00 0.00 C ATOM 709 CE LYS A 48 0.922 0.499 11.977 1.00 0.00 C ATOM 710 NZ LYS A 48 0.343 -0.326 13.072 1.00 0.00 N ATOM 0 H LYS A 48 3.493 2.540 10.348 1.00 0.00 H new ATOM 0 HA LYS A 48 5.042 2.633 12.581 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.676 0.491 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.850 -0.057 12.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.939 -0.027 13.486 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.570 1.573 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.386 2.122 13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.109 2.270 11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.118 0.979 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.453 -0.147 11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.534 -0.777 12.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.025 -1.060 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.133 0.281 13.890 1.00 0.00 H new ATOM 724 N LEU A 49 6.698 1.303 10.073 1.00 0.00 N ATOM 725 CA LEU A 49 8.027 0.907 9.619 1.00 0.00 C ATOM 726 C LEU A 49 8.923 2.127 9.427 1.00 0.00 C ATOM 727 O LEU A 49 9.994 2.223 10.027 1.00 0.00 O ATOM 728 CB LEU A 49 7.927 0.122 8.310 1.00 0.00 C ATOM 729 CG LEU A 49 7.371 -1.298 8.420 1.00 0.00 C ATOM 730 CD1 LEU A 49 7.224 -1.922 7.040 1.00 0.00 C ATOM 731 CD2 LEU A 49 8.268 -2.155 9.302 1.00 0.00 C ATOM 0 H LEU A 49 5.987 1.308 9.342 1.00 0.00 H new ATOM 0 HA LEU A 49 8.471 0.270 10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.298 0.684 7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.921 0.068 7.865 1.00 0.00 H new ATOM 0 HG LEU A 49 6.384 -1.247 8.880 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.827 -2.932 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.541 -1.321 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.198 -1.961 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.857 -3.162 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.268 -2.199 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.322 -1.718 10.299 1.00 0.00 H new ATOM 743 N LEU A 50 8.476 3.056 8.590 1.00 0.00 N ATOM 744 CA LEU A 50 9.236 4.272 8.321 1.00 0.00 C ATOM 745 C LEU A 50 9.752 4.890 9.616 1.00 0.00 C ATOM 746 O LEU A 50 10.803 5.529 9.635 1.00 0.00 O ATOM 747 CB LEU A 50 8.369 5.283 7.569 1.00 0.00 C ATOM 748 CG LEU A 50 9.117 6.291 6.695 1.00 0.00 C ATOM 749 CD1 LEU A 50 8.244 6.743 5.535 1.00 0.00 C ATOM 750 CD2 LEU A 50 9.567 7.485 7.524 1.00 0.00 C ATOM 0 H LEU A 50 7.592 2.991 8.086 1.00 0.00 H new ATOM 0 HA LEU A 50 10.092 4.006 7.702 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.670 4.734 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.775 5.835 8.298 1.00 0.00 H new ATOM 0 HG LEU A 50 10.002 5.803 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.793 7.460 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.973 5.881 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.340 7.213 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.097 8.192 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.696 7.973 7.961 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.230 7.146 8.320 1.00 0.00 H new ATOM 762 N ALA A 51 9.004 4.694 10.698 1.00 0.00 N ATOM 763 CA ALA A 51 9.388 5.229 11.998 1.00 0.00 C ATOM 764 C ALA A 51 10.518 4.413 12.616 1.00 0.00 C ATOM 765 O ALA A 51 11.394 4.957 13.288 1.00 0.00 O ATOM 766 CB ALA A 51 8.186 5.260 12.931 1.00 0.00 C ATOM 0 H ALA A 51 8.129 4.169 10.699 1.00 0.00 H new ATOM 0 HA ALA A 51 9.748 6.247 11.852 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.487 5.662 13.899 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.408 5.892 12.502 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.801 4.249 13.062 1.00 0.00 H new ATOM 772 N SER A 52 10.493 3.104 12.384 1.00 0.00 N ATOM 773 CA SER A 52 11.513 2.212 12.921 1.00 0.00 C ATOM 774 C SER A 52 12.331 1.583 11.798 1.00 0.00 C ATOM 775 O SER A 52 12.692 0.408 11.861 1.00 0.00 O ATOM 776 CB SER A 52 10.867 1.117 13.772 1.00 0.00 C ATOM 777 OG SER A 52 9.995 1.672 14.741 1.00 0.00 O ATOM 0 H SER A 52 9.777 2.638 11.827 1.00 0.00 H new ATOM 0 HA SER A 52 12.182 2.802 13.548 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.313 0.432 13.130 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.642 0.533 14.268 1.00 0.00 H new ATOM 0 HG SER A 52 9.594 0.952 15.271 1.00 0.00 H new ATOM 783 N SER A 53 12.620 2.374 10.769 1.00 0.00 N ATOM 784 CA SER A 53 13.392 1.895 9.629 1.00 0.00 C ATOM 785 C SER A 53 14.714 2.647 9.513 1.00 0.00 C ATOM 786 O SER A 53 15.044 3.478 10.359 1.00 0.00 O ATOM 787 CB SER A 53 12.586 2.054 8.338 1.00 0.00 C ATOM 788 OG SER A 53 13.073 1.193 7.323 1.00 0.00 O ATOM 0 H SER A 53 12.331 3.350 10.702 1.00 0.00 H new ATOM 0 HA SER A 53 13.608 0.838 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.536 1.835 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.638 3.088 7.998 1.00 0.00 H new ATOM 0 HG SER A 53 13.589 1.713 6.672 1.00 0.00 H new ATOM 794 N ILE A 54 15.467 2.348 8.460 1.00 0.00 N ATOM 795 CA ILE A 54 16.753 2.995 8.232 1.00 0.00 C ATOM 796 C ILE A 54 17.013 3.193 6.743 1.00 0.00 C ATOM 797 O ILE A 54 16.742 2.308 5.933 1.00 0.00 O ATOM 798 CB ILE A 54 17.909 2.180 8.840 1.00 0.00 C ATOM 799 CG1 ILE A 54 19.230 2.937 8.689 1.00 0.00 C ATOM 800 CG2 ILE A 54 17.997 0.812 8.180 1.00 0.00 C ATOM 801 CD1 ILE A 54 20.304 2.477 9.650 1.00 0.00 C ATOM 0 H ILE A 54 15.209 1.662 7.751 1.00 0.00 H new ATOM 0 HA ILE A 54 16.708 3.967 8.722 1.00 0.00 H new ATOM 0 HB ILE A 54 17.714 2.037 9.903 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.593 2.818 7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 54 19.049 4.001 8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.819 0.248 8.620 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.063 0.273 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 54 18.173 0.934 7.111 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.212 3.057 9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.961 2.621 10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.513 1.420 9.483 1.00 0.00 H new ATOM 813 N ASN A 55 17.542 4.360 6.390 1.00 0.00 N ATOM 814 CA ASN A 55 17.840 4.674 4.997 1.00 0.00 C ATOM 815 C ASN A 55 16.673 4.292 4.091 1.00 0.00 C ATOM 816 O ASN A 55 16.864 3.961 2.922 1.00 0.00 O ATOM 817 CB ASN A 55 19.108 3.946 4.549 1.00 0.00 C ATOM 818 CG ASN A 55 18.848 2.493 4.198 1.00 0.00 C ATOM 819 OD1 ASN A 55 19.079 1.603 5.155 1.00 0.00 O flip ATOM 820 ND2 ASN A 55 18.443 2.177 3.079 1.00 0.00 N flip ATOM 0 H ASN A 55 17.773 5.104 7.049 1.00 0.00 H new ATOM 0 HA ASN A 55 18.000 5.749 4.919 1.00 0.00 H new ATOM 0 HB2 ASN A 55 19.530 4.456 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.853 3.997 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 55 18.279 2.896 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 18.271 1.196 2.857 1.00 0.00 H new ATOM 827 N GLY A 56 15.464 4.340 4.641 1.00 0.00 N ATOM 828 CA GLY A 56 14.284 3.997 3.869 1.00 0.00 C ATOM 829 C GLY A 56 13.260 3.231 4.684 1.00 0.00 C ATOM 830 O GLY A 56 13.292 3.255 5.914 1.00 0.00 O ATOM 0 H GLY A 56 15.280 4.610 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.828 4.909 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.579 3.399 3.007 1.00 0.00 H new ATOM 834 N VAL A 57 12.347 2.552 3.997 1.00 0.00 N ATOM 835 CA VAL A 57 11.309 1.776 4.665 1.00 0.00 C ATOM 836 C VAL A 57 11.332 0.321 4.211 1.00 0.00 C ATOM 837 O VAL A 57 10.878 -0.006 3.115 1.00 0.00 O ATOM 838 CB VAL A 57 9.910 2.363 4.397 1.00 0.00 C ATOM 839 CG1 VAL A 57 8.833 1.470 4.993 1.00 0.00 C ATOM 840 CG2 VAL A 57 9.810 3.776 4.952 1.00 0.00 C ATOM 0 H VAL A 57 12.305 2.524 2.978 1.00 0.00 H new ATOM 0 HA VAL A 57 11.517 1.823 5.734 1.00 0.00 H new ATOM 0 HB VAL A 57 9.755 2.409 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.852 1.901 4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.892 0.479 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.982 1.389 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.815 4.175 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.986 3.758 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.557 4.409 4.473 1.00 0.00 H new ATOM 850 N ARG A 58 11.864 -0.550 5.063 1.00 0.00 N ATOM 851 CA ARG A 58 11.948 -1.971 4.750 1.00 0.00 C ATOM 852 C ARG A 58 10.557 -2.568 4.556 1.00 0.00 C ATOM 853 O ARG A 58 9.641 -2.300 5.334 1.00 0.00 O ATOM 854 CB ARG A 58 12.684 -2.718 5.863 1.00 0.00 C ATOM 855 CG ARG A 58 12.765 -4.220 5.640 1.00 0.00 C ATOM 856 CD ARG A 58 13.998 -4.816 6.300 1.00 0.00 C ATOM 857 NE ARG A 58 13.815 -6.227 6.628 1.00 0.00 N ATOM 858 CZ ARG A 58 14.772 -6.993 7.139 1.00 0.00 C ATOM 859 NH1 ARG A 58 15.973 -6.486 7.380 1.00 0.00 N ATOM 860 NH2 ARG A 58 14.529 -8.269 7.410 1.00 0.00 N ATOM 0 H ARG A 58 12.243 -0.296 5.975 1.00 0.00 H new ATOM 0 HA ARG A 58 12.505 -2.080 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.694 -2.318 5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.181 -2.527 6.811 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.870 -4.697 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.786 -4.429 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.854 -4.707 5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.228 -4.259 7.209 1.00 0.00 H new ATOM 0 HE ARG A 58 12.902 -6.647 6.455 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.164 -5.506 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 58 16.706 -7.076 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.606 -8.663 7.226 1.00 0.00 H new ATOM 0 HH22 ARG A 58 15.265 -8.856 7.802 1.00 0.00 H new ATOM 874 N CYS A 59 10.406 -3.377 3.513 1.00 0.00 N ATOM 875 CA CYS A 59 9.127 -4.012 3.215 1.00 0.00 C ATOM 876 C CYS A 59 9.007 -5.354 3.930 1.00 0.00 C ATOM 877 O CYS A 59 9.904 -6.196 3.880 1.00 0.00 O ATOM 878 CB CYS A 59 8.972 -4.210 1.706 1.00 0.00 C ATOM 879 SG CYS A 59 7.333 -4.824 1.202 1.00 0.00 S ATOM 0 H CYS A 59 11.154 -3.609 2.859 1.00 0.00 H new ATOM 0 HA CYS A 59 8.332 -3.357 3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.163 -3.261 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.732 -4.911 1.362 1.00 0.00 H new ATOM 884 N PRO A 60 7.870 -5.561 4.612 1.00 0.00 N ATOM 885 CA PRO A 60 7.604 -6.799 5.350 1.00 0.00 C ATOM 886 C PRO A 60 7.380 -7.990 4.423 1.00 0.00 C ATOM 887 O PRO A 60 7.079 -9.094 4.877 1.00 0.00 O ATOM 888 CB PRO A 60 6.326 -6.480 6.130 1.00 0.00 C ATOM 889 CG PRO A 60 5.654 -5.414 5.335 1.00 0.00 C ATOM 890 CD PRO A 60 6.758 -4.602 4.715 1.00 0.00 C ATOM 0 HA PRO A 60 8.445 -7.085 5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 60 5.691 -7.361 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 60 6.553 -6.137 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.010 -5.846 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.022 -4.793 5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.471 -4.213 3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.023 -3.745 5.334 1.00 0.00 H new ATOM 898 N PHE A 61 7.529 -7.758 3.123 1.00 0.00 N ATOM 899 CA PHE A 61 7.342 -8.811 2.133 1.00 0.00 C ATOM 900 C PHE A 61 8.650 -9.115 1.408 1.00 0.00 C ATOM 901 O PHE A 61 9.220 -10.196 1.560 1.00 0.00 O ATOM 902 CB PHE A 61 6.268 -8.404 1.121 1.00 0.00 C ATOM 903 CG PHE A 61 4.972 -7.990 1.757 1.00 0.00 C ATOM 904 CD1 PHE A 61 4.273 -8.867 2.571 1.00 0.00 C ATOM 905 CD2 PHE A 61 4.452 -6.724 1.540 1.00 0.00 C ATOM 906 CE1 PHE A 61 3.080 -8.489 3.157 1.00 0.00 C ATOM 907 CE2 PHE A 61 3.259 -6.340 2.123 1.00 0.00 C ATOM 908 CZ PHE A 61 2.573 -7.223 2.934 1.00 0.00 C ATOM 0 H PHE A 61 7.779 -6.850 2.731 1.00 0.00 H new ATOM 0 HA PHE A 61 7.018 -9.712 2.654 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.645 -7.581 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.082 -9.239 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.665 -9.857 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.985 -6.029 0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.544 -9.182 3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.864 -5.351 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.642 -6.924 3.393 1.00 0.00 H new ATOM 918 N CYS A 62 9.120 -8.154 0.620 1.00 0.00 N ATOM 919 CA CYS A 62 10.359 -8.317 -0.130 1.00 0.00 C ATOM 920 C CYS A 62 11.534 -7.694 0.620 1.00 0.00 C ATOM 921 O CYS A 62 12.694 -7.960 0.307 1.00 0.00 O ATOM 922 CB CYS A 62 10.229 -7.681 -1.515 1.00 0.00 C ATOM 923 SG CYS A 62 9.868 -5.896 -1.483 1.00 0.00 S ATOM 0 H CYS A 62 8.661 -7.253 0.484 1.00 0.00 H new ATOM 0 HA CYS A 62 10.548 -9.384 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 62 11.155 -7.844 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.438 -8.191 -2.064 1.00 0.00 H new ATOM 928 N SER A 63 11.223 -6.863 1.610 1.00 0.00 N ATOM 929 CA SER A 63 12.252 -6.199 2.401 1.00 0.00 C ATOM 930 C SER A 63 13.152 -5.344 1.515 1.00 0.00 C ATOM 931 O SER A 63 14.375 -5.353 1.658 1.00 0.00 O ATOM 932 CB SER A 63 13.092 -7.232 3.155 1.00 0.00 C ATOM 933 OG SER A 63 14.081 -7.798 2.312 1.00 0.00 O ATOM 0 H SER A 63 10.267 -6.634 1.883 1.00 0.00 H new ATOM 0 HA SER A 63 11.757 -5.548 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.569 -6.761 4.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.445 -8.019 3.542 1.00 0.00 H new ATOM 0 HG SER A 63 13.647 -8.290 1.584 1.00 0.00 H new ATOM 939 N LYS A 64 12.538 -4.604 0.598 1.00 0.00 N ATOM 940 CA LYS A 64 13.281 -3.741 -0.313 1.00 0.00 C ATOM 941 C LYS A 64 13.298 -2.302 0.194 1.00 0.00 C ATOM 942 O LYS A 64 12.449 -1.492 -0.182 1.00 0.00 O ATOM 943 CB LYS A 64 12.667 -3.793 -1.713 1.00 0.00 C ATOM 944 CG LYS A 64 13.112 -4.994 -2.528 1.00 0.00 C ATOM 945 CD LYS A 64 12.644 -4.894 -3.971 1.00 0.00 C ATOM 946 CE LYS A 64 13.517 -3.943 -4.775 1.00 0.00 C ATOM 947 NZ LYS A 64 13.056 -2.532 -4.655 1.00 0.00 N ATOM 0 H LYS A 64 11.527 -4.585 0.466 1.00 0.00 H new ATOM 0 HA LYS A 64 14.308 -4.103 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.581 -3.807 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.931 -2.882 -2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.199 -5.070 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.718 -5.906 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.662 -5.882 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.610 -4.550 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.549 -4.019 -4.431 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.508 -4.240 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.084 -2.077 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.082 -2.515 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.680 -2.017 -4.001 1.00 0.00 H new ATOM 961 N ILE A 65 14.269 -1.991 1.046 1.00 0.00 N ATOM 962 CA ILE A 65 14.396 -0.649 1.601 1.00 0.00 C ATOM 963 C ILE A 65 13.871 0.401 0.627 1.00 0.00 C ATOM 964 O ILE A 65 14.363 0.526 -0.495 1.00 0.00 O ATOM 965 CB ILE A 65 15.860 -0.321 1.950 1.00 0.00 C ATOM 966 CG1 ILE A 65 16.411 -1.344 2.946 1.00 0.00 C ATOM 967 CG2 ILE A 65 15.967 1.087 2.517 1.00 0.00 C ATOM 968 CD1 ILE A 65 15.717 -1.314 4.290 1.00 0.00 C ATOM 0 H ILE A 65 14.979 -2.650 1.367 1.00 0.00 H new ATOM 0 HA ILE A 65 13.799 -0.627 2.513 1.00 0.00 H new ATOM 0 HB ILE A 65 16.455 -0.371 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.315 -2.342 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 65 17.475 -1.160 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 65 17.008 1.304 2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 65 15.609 1.805 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 65 15.361 1.163 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 65 16.159 -2.065 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 65 15.834 -0.327 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 65 14.657 -1.528 4.157 1.00 0.00 H new ATOM 980 N THR A 66 12.868 1.156 1.064 1.00 0.00 N ATOM 981 CA THR A 66 12.275 2.196 0.232 1.00 0.00 C ATOM 982 C THR A 66 12.850 3.566 0.573 1.00 0.00 C ATOM 983 O THR A 66 12.281 4.307 1.375 1.00 0.00 O ATOM 984 CB THR A 66 10.744 2.240 0.394 1.00 0.00 C ATOM 985 OG1 THR A 66 10.226 0.910 0.520 1.00 0.00 O ATOM 986 CG2 THR A 66 10.094 2.931 -0.796 1.00 0.00 C ATOM 0 H THR A 66 12.449 1.067 1.990 1.00 0.00 H new ATOM 0 HA THR A 66 12.517 1.950 -0.802 1.00 0.00 H new ATOM 0 HB THR A 66 10.512 2.807 1.296 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.423 0.566 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.013 2.950 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.468 3.952 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.335 2.386 -1.709 1.00 0.00 H new ATOM 994 N ARG A 67 13.980 3.898 -0.042 1.00 0.00 N ATOM 995 CA ARG A 67 14.632 5.180 0.196 1.00 0.00 C ATOM 996 C ARG A 67 13.664 6.335 -0.041 1.00 0.00 C ATOM 997 O ARG A 67 13.544 6.837 -1.159 1.00 0.00 O ATOM 998 CB ARG A 67 15.855 5.331 -0.710 1.00 0.00 C ATOM 999 CG ARG A 67 17.014 4.426 -0.326 1.00 0.00 C ATOM 1000 CD ARG A 67 17.060 3.180 -1.195 1.00 0.00 C ATOM 1001 NE ARG A 67 17.379 3.493 -2.586 1.00 0.00 N ATOM 1002 CZ ARG A 67 17.942 2.630 -3.423 1.00 0.00 C ATOM 1003 NH1 ARG A 67 18.246 1.406 -3.014 1.00 0.00 N ATOM 1004 NH2 ARG A 67 18.201 2.990 -4.674 1.00 0.00 N ATOM 0 H ARG A 67 14.463 3.297 -0.709 1.00 0.00 H new ATOM 0 HA ARG A 67 14.954 5.207 1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.563 5.117 -1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 67 16.190 6.368 -0.683 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.952 4.973 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.920 4.137 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.805 2.489 -0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 67 16.097 2.671 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 67 17.157 4.426 -2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 67 18.047 1.125 -2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.678 0.745 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.967 3.930 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.634 2.326 -5.317 1.00 0.00 H new ATOM 1018 N ILE A 68 12.975 6.750 1.017 1.00 0.00 N ATOM 1019 CA ILE A 68 12.018 7.845 0.923 1.00 0.00 C ATOM 1020 C ILE A 68 11.836 8.533 2.272 1.00 0.00 C ATOM 1021 O ILE A 68 11.289 7.952 3.209 1.00 0.00 O ATOM 1022 CB ILE A 68 10.648 7.354 0.421 1.00 0.00 C ATOM 1023 CG1 ILE A 68 10.186 6.143 1.234 1.00 0.00 C ATOM 1024 CG2 ILE A 68 10.718 7.009 -1.059 1.00 0.00 C ATOM 1025 CD1 ILE A 68 8.729 6.203 1.634 1.00 0.00 C ATOM 0 H ILE A 68 13.062 6.344 1.949 1.00 0.00 H new ATOM 0 HA ILE A 68 12.424 8.558 0.206 1.00 0.00 H new ATOM 0 HB ILE A 68 9.921 8.156 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 68 10.357 5.238 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 68 10.798 6.064 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 68 9.742 6.663 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 68 11.007 7.894 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 68 11.456 6.222 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.472 5.312 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.555 7.090 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.108 6.250 0.740 1.00 0.00 H new ATOM 1037 N THR A 69 12.298 9.777 2.363 1.00 0.00 N ATOM 1038 CA THR A 69 12.186 10.545 3.596 1.00 0.00 C ATOM 1039 C THR A 69 10.732 10.887 3.901 1.00 0.00 C ATOM 1040 O THR A 69 10.348 11.030 5.061 1.00 0.00 O ATOM 1041 CB THR A 69 13.003 11.849 3.522 1.00 0.00 C ATOM 1042 OG1 THR A 69 12.853 12.591 4.737 1.00 0.00 O ATOM 1043 CG2 THR A 69 12.556 12.702 2.343 1.00 0.00 C ATOM 0 H THR A 69 12.753 10.273 1.597 1.00 0.00 H new ATOM 0 HA THR A 69 12.585 9.920 4.395 1.00 0.00 H new ATOM 0 HB THR A 69 14.052 11.587 3.384 1.00 0.00 H new ATOM 0 HG1 THR A 69 13.377 13.418 4.682 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.147 13.617 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.699 12.146 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.502 12.955 2.456 1.00 0.00 H new ATOM 1051 N SER A 70 9.926 11.016 2.851 1.00 0.00 N ATOM 1052 CA SER A 70 8.514 11.344 3.007 1.00 0.00 C ATOM 1053 C SER A 70 7.633 10.193 2.530 1.00 0.00 C ATOM 1054 O SER A 70 8.066 9.348 1.745 1.00 0.00 O ATOM 1055 CB SER A 70 8.175 12.617 2.229 1.00 0.00 C ATOM 1056 OG SER A 70 7.126 13.334 2.856 1.00 0.00 O ATOM 0 H SER A 70 10.227 10.898 1.884 1.00 0.00 H new ATOM 0 HA SER A 70 8.320 11.512 4.066 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.060 13.250 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.885 12.358 1.211 1.00 0.00 H new ATOM 0 HG SER A 70 6.930 14.144 2.340 1.00 0.00 H new ATOM 1062 N LEU A 71 6.394 10.167 3.008 1.00 0.00 N ATOM 1063 CA LEU A 71 5.450 9.121 2.631 1.00 0.00 C ATOM 1064 C LEU A 71 5.055 9.247 1.164 1.00 0.00 C ATOM 1065 O LEU A 71 4.792 8.249 0.491 1.00 0.00 O ATOM 1066 CB LEU A 71 4.203 9.189 3.515 1.00 0.00 C ATOM 1067 CG LEU A 71 4.413 8.875 4.997 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.170 9.230 5.798 1.00 0.00 C ATOM 1069 CD2 LEU A 71 4.771 7.409 5.187 1.00 0.00 C ATOM 0 H LEU A 71 6.020 10.859 3.658 1.00 0.00 H new ATOM 0 HA LEU A 71 5.938 8.157 2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.778 10.189 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.463 8.494 3.118 1.00 0.00 H new ATOM 0 HG LEU A 71 5.242 9.480 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.337 9.000 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.958 10.294 5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.323 8.651 5.430 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.917 7.205 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.963 6.785 4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.690 7.186 4.645 1.00 0.00 H new ATOM 1081 N THR A 72 5.016 10.481 0.670 1.00 0.00 N ATOM 1082 CA THR A 72 4.655 10.738 -0.718 1.00 0.00 C ATOM 1083 C THR A 72 5.825 10.455 -1.653 1.00 0.00 C ATOM 1084 O THR A 72 5.630 10.108 -2.817 1.00 0.00 O ATOM 1085 CB THR A 72 4.193 12.194 -0.917 1.00 0.00 C ATOM 1086 OG1 THR A 72 3.690 12.371 -2.246 1.00 0.00 O ATOM 1087 CG2 THR A 72 5.339 13.164 -0.671 1.00 0.00 C ATOM 0 H THR A 72 5.230 11.318 1.212 1.00 0.00 H new ATOM 0 HA THR A 72 3.831 10.067 -0.960 1.00 0.00 H new ATOM 0 HB THR A 72 3.401 12.402 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.397 13.299 -2.364 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.989 14.186 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.701 13.048 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 72 6.149 12.955 -1.369 1.00 0.00 H new ATOM 1095 N GLN A 73 7.040 10.606 -1.135 1.00 0.00 N ATOM 1096 CA GLN A 73 8.241 10.366 -1.925 1.00 0.00 C ATOM 1097 C GLN A 73 8.118 9.073 -2.725 1.00 0.00 C ATOM 1098 O GLN A 73 8.256 9.073 -3.949 1.00 0.00 O ATOM 1099 CB GLN A 73 9.470 10.302 -1.016 1.00 0.00 C ATOM 1100 CG GLN A 73 10.127 11.653 -0.785 1.00 0.00 C ATOM 1101 CD GLN A 73 10.938 12.120 -1.978 1.00 0.00 C ATOM 1102 OE1 GLN A 73 10.393 12.662 -2.939 1.00 0.00 O ATOM 1103 NE2 GLN A 73 12.248 11.912 -1.921 1.00 0.00 N ATOM 0 H GLN A 73 7.218 10.893 -0.173 1.00 0.00 H new ATOM 0 HA GLN A 73 8.357 11.194 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.179 9.880 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.201 9.622 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.358 12.393 -0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.776 11.593 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.657 11.459 -1.104 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.845 12.206 -2.694 1.00 0.00 H new ATOM 1112 N LEU A 74 7.858 7.974 -2.026 1.00 0.00 N ATOM 1113 CA LEU A 74 7.716 6.673 -2.672 1.00 0.00 C ATOM 1114 C LEU A 74 6.654 6.721 -3.765 1.00 0.00 C ATOM 1115 O LEU A 74 6.116 7.784 -4.078 1.00 0.00 O ATOM 1116 CB LEU A 74 7.352 5.606 -1.638 1.00 0.00 C ATOM 1117 CG LEU A 74 6.217 5.961 -0.677 1.00 0.00 C ATOM 1118 CD1 LEU A 74 4.925 6.200 -1.444 1.00 0.00 C ATOM 1119 CD2 LEU A 74 6.030 4.861 0.357 1.00 0.00 C ATOM 0 H LEU A 74 7.741 7.957 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 74 8.671 6.416 -3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.080 4.693 -2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.242 5.380 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 74 6.482 6.881 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.128 6.451 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.065 7.022 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.655 5.297 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.218 5.131 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.787 3.925 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.951 4.737 0.927 1.00 0.00 H new ATOM 1131 N THR A 75 6.354 5.562 -4.343 1.00 0.00 N ATOM 1132 CA THR A 75 5.355 5.471 -5.401 1.00 0.00 C ATOM 1133 C THR A 75 3.947 5.389 -4.822 1.00 0.00 C ATOM 1134 O THR A 75 3.654 4.522 -3.999 1.00 0.00 O ATOM 1135 CB THR A 75 5.600 4.245 -6.301 1.00 0.00 C ATOM 1136 OG1 THR A 75 6.892 4.336 -6.913 1.00 0.00 O ATOM 1137 CG2 THR A 75 4.530 4.140 -7.376 1.00 0.00 C ATOM 0 H THR A 75 6.789 4.673 -4.096 1.00 0.00 H new ATOM 0 HA THR A 75 5.446 6.377 -6.001 1.00 0.00 H new ATOM 0 HB THR A 75 5.556 3.351 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.040 3.552 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.724 3.267 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.551 4.040 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.546 5.038 -7.994 1.00 0.00 H new ATOM 1145 N ASP A 76 3.080 6.296 -5.258 1.00 0.00 N ATOM 1146 CA ASP A 76 1.701 6.325 -4.784 1.00 0.00 C ATOM 1147 C ASP A 76 0.875 5.229 -5.449 1.00 0.00 C ATOM 1148 O ASP A 76 1.167 4.811 -6.569 1.00 0.00 O ATOM 1149 CB ASP A 76 1.074 7.693 -5.060 1.00 0.00 C ATOM 1150 CG ASP A 76 1.856 8.827 -4.427 1.00 0.00 C ATOM 1151 OD1 ASP A 76 3.065 8.945 -4.713 1.00 0.00 O ATOM 1152 OD2 ASP A 76 1.258 9.596 -3.645 1.00 0.00 O ATOM 0 H ASP A 76 3.307 7.021 -5.939 1.00 0.00 H new ATOM 0 HA ASP A 76 1.708 6.147 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.016 7.852 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.052 7.704 -4.681 1.00 0.00 H new ATOM 1157 N ASN A 77 -0.157 4.767 -4.751 1.00 0.00 N ATOM 1158 CA ASN A 77 -1.025 3.717 -5.273 1.00 0.00 C ATOM 1159 C ASN A 77 -2.477 4.183 -5.315 1.00 0.00 C ATOM 1160 O ASN A 77 -3.327 3.670 -4.586 1.00 0.00 O ATOM 1161 CB ASN A 77 -0.907 2.456 -4.415 1.00 0.00 C ATOM 1162 CG ASN A 77 -1.840 1.353 -4.878 1.00 0.00 C ATOM 1163 OD1 ASN A 77 -2.998 1.290 -4.463 1.00 0.00 O ATOM 1164 ND2 ASN A 77 -1.339 0.478 -5.741 1.00 0.00 N ATOM 0 H ASN A 77 -0.413 5.103 -3.823 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.706 3.488 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.121 2.095 -4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.129 2.704 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.919 -0.286 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.374 0.569 -6.058 1.00 0.00 H new ATOM 1171 N LEU A 78 -2.755 5.159 -6.173 1.00 0.00 N ATOM 1172 CA LEU A 78 -4.105 5.694 -6.312 1.00 0.00 C ATOM 1173 C LEU A 78 -4.957 4.798 -7.203 1.00 0.00 C ATOM 1174 O LEU A 78 -6.032 5.194 -7.656 1.00 0.00 O ATOM 1175 CB LEU A 78 -4.056 7.110 -6.889 1.00 0.00 C ATOM 1176 CG LEU A 78 -3.211 7.291 -8.150 1.00 0.00 C ATOM 1177 CD1 LEU A 78 -1.776 7.641 -7.786 1.00 0.00 C ATOM 1178 CD2 LEU A 78 -3.254 6.034 -9.007 1.00 0.00 C ATOM 0 H LEU A 78 -2.064 5.596 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.560 5.727 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.075 7.426 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.674 7.781 -6.120 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.629 8.115 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.190 7.766 -8.696 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.762 8.569 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.347 6.839 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.647 6.182 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.862 5.191 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.284 5.827 -9.298 1.00 0.00 H new ATOM 1190 N THR A 79 -4.472 3.585 -7.451 1.00 0.00 N ATOM 1191 CA THR A 79 -5.190 2.631 -8.288 1.00 0.00 C ATOM 1192 C THR A 79 -6.263 1.898 -7.490 1.00 0.00 C ATOM 1193 O THR A 79 -7.274 1.466 -8.043 1.00 0.00 O ATOM 1194 CB THR A 79 -4.232 1.597 -8.909 1.00 0.00 C ATOM 1195 OG1 THR A 79 -4.952 0.733 -9.796 1.00 0.00 O ATOM 1196 CG2 THR A 79 -3.553 0.770 -7.828 1.00 0.00 C ATOM 0 H THR A 79 -3.585 3.240 -7.084 1.00 0.00 H new ATOM 0 HA THR A 79 -5.662 3.203 -9.086 1.00 0.00 H new ATOM 0 HB THR A 79 -3.466 2.134 -9.468 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.336 0.080 -10.188 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.882 0.047 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.982 1.427 -7.172 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.308 0.242 -7.245 1.00 0.00 H new ATOM 1204 N VAL A 80 -6.036 1.763 -6.188 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.984 1.083 -5.313 1.00 0.00 C ATOM 1206 C VAL A 80 -8.181 1.976 -5.001 1.00 0.00 C ATOM 1207 O VAL A 80 -9.292 1.490 -4.785 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.320 0.653 -3.991 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -5.327 -0.473 -4.235 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.642 1.840 -3.325 1.00 0.00 C ATOM 0 H VAL A 80 -5.204 2.115 -5.715 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.325 0.195 -5.845 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.094 0.283 -3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.868 -0.764 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.846 -1.329 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.554 -0.134 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.178 1.518 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.878 2.243 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.383 2.611 -3.114 1.00 0.00 H new ATOM 1220 N LEU A 81 -7.946 3.283 -4.980 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.005 4.245 -4.695 1.00 0.00 C ATOM 1222 C LEU A 81 -9.981 4.343 -5.863 1.00 0.00 C ATOM 1223 O LEU A 81 -11.193 4.437 -5.669 1.00 0.00 O ATOM 1224 CB LEU A 81 -8.405 5.621 -4.400 1.00 0.00 C ATOM 1225 CG LEU A 81 -7.531 5.718 -3.149 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -6.854 7.077 -3.075 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -8.360 5.463 -1.898 1.00 0.00 C ATOM 0 H LEU A 81 -7.032 3.701 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.551 3.898 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.809 5.927 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.220 6.338 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.757 4.953 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.236 7.127 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.228 7.220 -3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.612 7.860 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.722 5.536 -1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.156 6.205 -1.832 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.797 4.466 -1.948 1.00 0.00 H new ATOM 1239 N LYS A 82 -9.444 4.319 -7.079 1.00 0.00 N ATOM 1240 CA LYS A 82 -10.266 4.402 -8.280 1.00 0.00 C ATOM 1241 C LYS A 82 -10.861 3.040 -8.628 1.00 0.00 C ATOM 1242 O LYS A 82 -10.258 2.002 -8.356 1.00 0.00 O ATOM 1243 CB LYS A 82 -9.437 4.923 -9.456 1.00 0.00 C ATOM 1244 CG LYS A 82 -9.276 6.433 -9.465 1.00 0.00 C ATOM 1245 CD LYS A 82 -10.402 7.109 -10.231 1.00 0.00 C ATOM 1246 CE LYS A 82 -10.171 8.607 -10.355 1.00 0.00 C ATOM 1247 NZ LYS A 82 -9.241 8.934 -11.471 1.00 0.00 N ATOM 0 H LYS A 82 -8.443 4.243 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 82 -11.083 5.096 -8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.450 4.461 -9.427 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.908 4.611 -10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.258 6.804 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -8.319 6.695 -9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -10.483 6.669 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.349 6.927 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.125 9.109 -10.518 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.764 8.991 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.109 9.964 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.323 8.476 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.641 8.591 -12.368 1.00 0.00 H new ATOM 1261 N SER A 83 -12.045 3.053 -9.231 1.00 0.00 N ATOM 1262 CA SER A 83 -12.721 1.819 -9.613 1.00 0.00 C ATOM 1263 C SER A 83 -12.347 1.413 -11.035 1.00 0.00 C ATOM 1264 O SER A 83 -13.192 0.962 -11.807 1.00 0.00 O ATOM 1265 CB SER A 83 -14.238 1.989 -9.502 1.00 0.00 C ATOM 1266 OG SER A 83 -14.641 2.094 -8.147 1.00 0.00 O ATOM 0 H SER A 83 -12.556 3.904 -9.466 1.00 0.00 H new ATOM 0 HA SER A 83 -12.399 1.031 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.548 2.880 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.738 1.140 -9.969 1.00 0.00 H new ATOM 0 HG SER A 83 -15.614 2.204 -8.103 1.00 0.00 H new ATOM 1272 N GLY A 84 -11.072 1.576 -11.374 1.00 0.00 N ATOM 1273 CA GLY A 84 -10.606 1.222 -12.703 1.00 0.00 C ATOM 1274 C GLY A 84 -9.513 2.147 -13.199 1.00 0.00 C ATOM 1275 O GLY A 84 -9.301 3.236 -12.665 1.00 0.00 O ATOM 0 H GLY A 84 -10.353 1.947 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.234 0.197 -12.693 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.445 1.250 -13.398 1.00 0.00 H new ATOM 1279 N PRO A 85 -8.795 1.713 -14.246 1.00 0.00 N ATOM 1280 CA PRO A 85 -7.705 2.494 -14.837 1.00 0.00 C ATOM 1281 C PRO A 85 -8.210 3.731 -15.572 1.00 0.00 C ATOM 1282 O PRO A 85 -9.281 3.710 -16.179 1.00 0.00 O ATOM 1283 CB PRO A 85 -7.059 1.515 -15.820 1.00 0.00 C ATOM 1284 CG PRO A 85 -8.145 0.556 -16.168 1.00 0.00 C ATOM 1285 CD PRO A 85 -8.993 0.426 -14.933 1.00 0.00 C ATOM 0 HA PRO A 85 -7.019 2.874 -14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.687 2.031 -16.706 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.209 1.004 -15.368 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.734 0.922 -17.009 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.734 -0.409 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -10.041 0.260 -15.181 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -8.675 -0.413 -14.314 1.00 0.00 H new ATOM 1293 N SER A 86 -7.433 4.808 -15.513 1.00 0.00 N ATOM 1294 CA SER A 86 -7.804 6.055 -16.171 1.00 0.00 C ATOM 1295 C SER A 86 -8.150 5.815 -17.637 1.00 0.00 C ATOM 1296 O SER A 86 -7.763 4.801 -18.219 1.00 0.00 O ATOM 1297 CB SER A 86 -6.665 7.071 -16.063 1.00 0.00 C ATOM 1298 OG SER A 86 -6.878 8.169 -16.934 1.00 0.00 O ATOM 0 H SER A 86 -6.543 4.842 -15.016 1.00 0.00 H new ATOM 0 HA SER A 86 -8.686 6.453 -15.669 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.587 7.427 -15.036 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.718 6.588 -16.306 1.00 0.00 H new ATOM 0 HG SER A 86 -6.138 8.805 -16.845 1.00 0.00 H new ATOM 1304 N SER A 87 -8.881 6.754 -18.228 1.00 0.00 N ATOM 1305 CA SER A 87 -9.282 6.644 -19.626 1.00 0.00 C ATOM 1306 C SER A 87 -8.972 7.931 -20.384 1.00 0.00 C ATOM 1307 O SER A 87 -8.679 7.907 -21.578 1.00 0.00 O ATOM 1308 CB SER A 87 -10.776 6.327 -19.726 1.00 0.00 C ATOM 1309 OG SER A 87 -11.543 7.241 -18.961 1.00 0.00 O ATOM 0 H SER A 87 -9.208 7.600 -17.761 1.00 0.00 H new ATOM 0 HA SER A 87 -8.714 5.831 -20.078 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.091 6.367 -20.769 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.960 5.311 -19.376 1.00 0.00 H new ATOM 0 HG SER A 87 -12.494 7.019 -19.043 1.00 0.00 H new ATOM 1315 N GLY A 88 -9.040 9.057 -19.678 1.00 0.00 N ATOM 1316 CA GLY A 88 -8.764 10.339 -20.300 1.00 0.00 C ATOM 1317 C GLY A 88 -9.631 10.591 -21.517 1.00 0.00 C ATOM 1318 O GLY A 88 -9.333 10.059 -22.585 1.00 0.00 O ATOM 0 H GLY A 88 -9.281 9.104 -18.688 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.924 11.135 -19.572 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.714 10.380 -20.591 1.00 0.00 H new TER 1322 GLY A 88 HETATM 1323 ZN ZN A 201 -1.961 -1.785 6.304 1.00 0.00 ZN HETATM 1324 ZN ZN A 401 7.656 -5.343 -1.038 1.00 0.00 ZN