USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 884 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 78 LYS NZ :NH3+ -128:sc= -0.583 (180deg=-2.06) USER MOD Set 1.2: A 86 THR OG1 : rot 78:sc= 0.712 USER MOD Set 2.1: A 31 LYS NZ :NH3+ -116:sc= 0.692 (180deg=-0.927) USER MOD Set 2.2: B 8 SER OG : rot 110:sc= -0.972 USER MOD Single : A 8 THR OG1 : rot 62:sc= 0.151 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.919! F(o=-2.5,f=-0.92!) USER MOD Single : A 21 SER OG : rot -27:sc= -1.48 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 67:sc= 1.01 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.473 F(o=-1.8,f=-0.47) USER MOD Single : A 35 SER OG : rot 73:sc= -1.26! USER MOD Single : A 36 LYS NZ :NH3+ 149:sc= 0.277 (180deg=-0.424) USER MOD Single : A 38 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 39 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.836 F(o=-1.4,f=-0.84) USER MOD Single : A 56 SER OG : rot -40:sc= -1 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.21 K(o=-2.2,f=-3!) USER MOD Single : A 66 GLN : amide:sc= -3.43! X(o=-3.4!,f=-3.3) USER MOD Single : A 71 ASN :FLIP amide:sc= -6.3! C(o=-9.5!,f=-6.3!) USER MOD Single : A 74 SER OG : rot 21:sc= 0.302 USER MOD Single : A 80 ASN : amide:sc= -6.39 K(o=-6.4,f=-12!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.848 F(o=-5.8!,f=-0.85) USER MOD Single : A 84 MET CE :methyl -171:sc= -3.68! (180deg=-3.96) USER MOD Single : A 90 SER OG : rot 103:sc= 0.301 USER MOD Single : A 91 MET CE :methyl 173:sc= -7.97! (180deg=-8.61!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.989 F(o=-2.2!,f=-0.99) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -164:sc= -3.62! (180deg=-4.46!) USER MOD Single : A 102 GLN : amide:sc= -10! C(o=-10!,f=-16!) USER MOD Single : A 110 SER OG : rot 33:sc= 0.304 USER MOD Single : B 6 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.4) USER MOD Single : B 9 GLN :FLIP amide:sc= -2.69 F(o=-3.9,f=-2.7) USER MOD Single : B 11 THR OG1 : rot 115:sc= 1.3 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -9.392 -10.310 -8.644 1.00 0.00 N ATOM 2 CA GLY A 7 -9.367 -8.969 -9.197 1.00 0.00 C ATOM 3 C GLY A 7 -9.433 -7.898 -8.126 1.00 0.00 C ATOM 4 O GLY A 7 -10.173 -6.924 -8.258 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.457 -8.838 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.206 -8.846 -9.881 1.00 0.00 H new ATOM 8 N THR A 8 -8.656 -8.080 -7.061 1.00 0.00 N ATOM 9 CA THR A 8 -8.630 -7.121 -5.963 1.00 0.00 C ATOM 10 C THR A 8 -7.238 -6.518 -5.801 1.00 0.00 C ATOM 11 O THR A 8 -6.701 -6.462 -4.697 1.00 0.00 O ATOM 12 CB THR A 8 -9.064 -7.794 -4.659 1.00 0.00 C ATOM 13 OG1 THR A 8 -8.139 -8.796 -4.280 1.00 0.00 O ATOM 14 CG2 THR A 8 -10.430 -8.439 -4.747 1.00 0.00 C ATOM 0 H THR A 8 -8.038 -8.882 -6.936 1.00 0.00 H new ATOM 0 HA THR A 8 -9.329 -6.318 -6.198 1.00 0.00 H new ATOM 0 HB THR A 8 -9.104 -6.994 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.262 -8.389 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.678 -8.898 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.175 -7.681 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.422 -9.203 -5.525 1.00 0.00 H new ATOM 22 N ARG A 9 -6.663 -6.065 -6.911 1.00 0.00 N ATOM 23 CA ARG A 9 -5.334 -5.460 -6.899 1.00 0.00 C ATOM 24 C ARG A 9 -5.256 -4.325 -7.912 1.00 0.00 C ATOM 25 O ARG A 9 -5.673 -4.479 -9.060 1.00 0.00 O ATOM 26 CB ARG A 9 -4.265 -6.509 -7.210 1.00 0.00 C ATOM 27 CG ARG A 9 -4.521 -7.861 -6.562 1.00 0.00 C ATOM 28 CD ARG A 9 -3.221 -8.587 -6.258 1.00 0.00 C ATOM 29 NE ARG A 9 -2.543 -9.031 -7.475 1.00 0.00 N ATOM 30 CZ ARG A 9 -1.254 -9.355 -7.532 1.00 0.00 C ATOM 31 NH1 ARG A 9 -0.498 -9.289 -6.442 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.719 -9.749 -8.679 1.00 0.00 N ATOM 0 H ARG A 9 -7.098 -6.105 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.152 -5.057 -5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.203 -6.641 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.296 -6.136 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.086 -7.723 -5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.135 -8.473 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.561 -7.927 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.427 -9.449 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.092 -9.096 -8.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.905 -8.989 -5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.490 -9.538 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.296 -9.804 -9.519 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.269 -9.997 -8.722 1.00 0.00 H new ATOM 46 N GLU A 10 -4.727 -3.182 -7.486 1.00 0.00 N ATOM 47 CA GLU A 10 -4.607 -2.028 -8.372 1.00 0.00 C ATOM 48 C GLU A 10 -3.315 -1.260 -8.121 1.00 0.00 C ATOM 49 O GLU A 10 -2.950 -0.988 -6.977 1.00 0.00 O ATOM 50 CB GLU A 10 -5.807 -1.097 -8.190 1.00 0.00 C ATOM 51 CG GLU A 10 -6.043 -0.685 -6.746 1.00 0.00 C ATOM 52 CD GLU A 10 -7.366 0.031 -6.551 1.00 0.00 C ATOM 53 OE1 GLU A 10 -8.238 -0.083 -7.437 1.00 0.00 O ATOM 54 OE2 GLU A 10 -7.526 0.708 -5.515 1.00 0.00 O ATOM 0 H GLU A 10 -4.377 -3.030 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.585 -2.399 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.657 -0.202 -8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.701 -1.592 -8.569 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.016 -1.570 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.231 -0.035 -6.421 1.00 0.00 H new ATOM 61 N PHE A 11 -2.631 -0.903 -9.206 1.00 0.00 N ATOM 62 CA PHE A 11 -1.385 -0.152 -9.112 1.00 0.00 C ATOM 63 C PHE A 11 -1.676 1.323 -8.865 1.00 0.00 C ATOM 64 O PHE A 11 -2.712 1.838 -9.287 1.00 0.00 O ATOM 65 CB PHE A 11 -0.566 -0.318 -10.392 1.00 0.00 C ATOM 66 CG PHE A 11 0.078 -1.669 -10.521 1.00 0.00 C ATOM 67 CD1 PHE A 11 -0.696 -2.805 -10.694 1.00 0.00 C ATOM 68 CD2 PHE A 11 1.456 -1.803 -10.469 1.00 0.00 C ATOM 69 CE1 PHE A 11 -0.107 -4.051 -10.814 1.00 0.00 C ATOM 70 CE2 PHE A 11 2.051 -3.045 -10.587 1.00 0.00 C ATOM 71 CZ PHE A 11 1.268 -4.170 -10.759 1.00 0.00 C ATOM 0 H PHE A 11 -2.920 -1.122 -10.159 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.807 -0.542 -8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.213 -0.149 -11.252 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.208 0.449 -10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.772 -2.717 -10.736 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.073 -0.927 -10.335 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.721 -4.929 -10.950 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.126 -3.136 -10.545 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.731 -5.142 -10.850 1.00 0.00 H new ATOM 81 N LEU A 12 -0.768 2.002 -8.172 1.00 0.00 N ATOM 82 CA LEU A 12 -0.952 3.417 -7.868 1.00 0.00 C ATOM 83 C LEU A 12 0.352 4.194 -7.998 1.00 0.00 C ATOM 84 O LEU A 12 1.258 4.054 -7.179 1.00 0.00 O ATOM 85 CB LEU A 12 -1.515 3.598 -6.455 1.00 0.00 C ATOM 86 CG LEU A 12 -2.451 2.486 -5.978 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.292 2.254 -4.481 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.895 2.823 -6.321 1.00 0.00 C ATOM 0 H LEU A 12 0.097 1.599 -7.812 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.662 3.812 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.682 3.674 -5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.052 4.545 -6.414 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.182 1.564 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.967 1.459 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.263 1.965 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.532 3.171 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.548 2.022 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.176 3.756 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.996 2.933 -7.401 1.00 0.00 H new ATOM 100 N THR A 13 0.423 5.029 -9.026 1.00 0.00 N ATOM 101 CA THR A 13 1.599 5.855 -9.263 1.00 0.00 C ATOM 102 C THR A 13 1.349 7.268 -8.743 1.00 0.00 C ATOM 103 O THR A 13 0.403 7.930 -9.166 1.00 0.00 O ATOM 104 CB THR A 13 1.926 5.889 -10.755 1.00 0.00 C ATOM 105 OG1 THR A 13 2.154 4.582 -11.253 1.00 0.00 O ATOM 106 CG2 THR A 13 3.143 6.723 -11.079 1.00 0.00 C ATOM 0 H THR A 13 -0.323 5.152 -9.711 1.00 0.00 H new ATOM 0 HA THR A 13 2.449 5.427 -8.732 1.00 0.00 H new ATOM 0 HB THR A 13 1.056 6.343 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.360 4.628 -12.210 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.320 6.705 -12.154 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.977 7.750 -10.755 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.011 6.316 -10.561 1.00 0.00 H new ATOM 114 N PHE A 14 2.180 7.721 -7.807 1.00 0.00 N ATOM 115 CA PHE A 14 2.002 9.050 -7.231 1.00 0.00 C ATOM 116 C PHE A 14 3.308 9.829 -7.133 1.00 0.00 C ATOM 117 O PHE A 14 4.389 9.256 -7.023 1.00 0.00 O ATOM 118 CB PHE A 14 1.367 8.937 -5.845 1.00 0.00 C ATOM 119 CG PHE A 14 0.033 8.255 -5.861 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.958 8.671 -6.735 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.230 7.198 -5.007 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.188 8.043 -6.758 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.459 6.565 -5.024 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.439 6.988 -5.901 1.00 0.00 C ATOM 0 H PHE A 14 2.972 7.196 -7.436 1.00 0.00 H new ATOM 0 HA PHE A 14 1.345 9.602 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.041 8.388 -5.187 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.253 9.935 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.767 9.495 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.533 6.864 -4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.952 8.376 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.653 5.741 -4.353 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.400 6.495 -5.917 1.00 0.00 H new ATOM 134 N GLU A 15 3.175 11.151 -7.148 1.00 0.00 N ATOM 135 CA GLU A 15 4.312 12.056 -7.039 1.00 0.00 C ATOM 136 C GLU A 15 4.249 12.768 -5.693 1.00 0.00 C ATOM 137 O GLU A 15 3.334 13.551 -5.435 1.00 0.00 O ATOM 138 CB GLU A 15 4.312 13.070 -8.187 1.00 0.00 C ATOM 139 CG GLU A 15 3.401 12.693 -9.347 1.00 0.00 C ATOM 140 CD GLU A 15 1.987 13.212 -9.170 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.714 14.352 -9.599 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.152 12.477 -8.602 1.00 0.00 O ATOM 0 H GLU A 15 2.276 11.625 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 15 5.237 11.484 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.006 14.042 -7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.330 13.181 -8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.816 13.089 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.376 11.608 -9.447 1.00 0.00 H new ATOM 149 N VAL A 16 5.197 12.454 -4.822 1.00 0.00 N ATOM 150 CA VAL A 16 5.219 13.023 -3.480 1.00 0.00 C ATOM 151 C VAL A 16 6.225 14.164 -3.327 1.00 0.00 C ATOM 152 O VAL A 16 7.436 13.941 -3.356 1.00 0.00 O ATOM 153 CB VAL A 16 5.554 11.937 -2.442 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.352 12.457 -1.030 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.715 10.693 -2.685 1.00 0.00 C ATOM 0 H VAL A 16 5.962 11.808 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 16 4.221 13.428 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 16 6.605 11.670 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.595 11.671 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.003 13.315 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.313 12.759 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.964 9.935 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.658 10.946 -2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.920 10.305 -3.683 1.00 0.00 H new ATOM 165 N PRO A 17 5.737 15.405 -3.123 1.00 0.00 N ATOM 166 CA PRO A 17 6.599 16.566 -2.925 1.00 0.00 C ATOM 167 C PRO A 17 7.042 16.671 -1.470 1.00 0.00 C ATOM 168 O PRO A 17 6.212 16.635 -0.563 1.00 0.00 O ATOM 169 CB PRO A 17 5.685 17.728 -3.295 1.00 0.00 C ATOM 170 CG PRO A 17 4.324 17.274 -2.889 1.00 0.00 C ATOM 171 CD PRO A 17 4.309 15.769 -3.041 1.00 0.00 C ATOM 0 HA PRO A 17 7.517 16.529 -3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.972 18.641 -2.773 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.730 17.944 -4.362 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.110 17.562 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.559 17.735 -3.514 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.822 15.287 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.767 15.463 -3.936 1.00 0.00 H new ATOM 179 N LEU A 18 8.346 16.780 -1.245 1.00 0.00 N ATOM 180 CA LEU A 18 8.875 16.860 0.115 1.00 0.00 C ATOM 181 C LEU A 18 9.689 18.123 0.337 1.00 0.00 C ATOM 182 O LEU A 18 10.597 18.147 1.165 1.00 0.00 O ATOM 183 CB LEU A 18 9.751 15.649 0.392 1.00 0.00 C ATOM 184 CG LEU A 18 10.785 15.394 -0.691 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.117 14.987 -0.082 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.288 14.339 -1.665 1.00 0.00 C ATOM 0 H LEU A 18 9.053 16.815 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 18 8.025 16.883 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.261 15.789 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.118 14.768 0.495 1.00 0.00 H new ATOM 0 HG LEU A 18 10.939 16.321 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.841 14.810 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.479 15.784 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.987 14.075 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.042 14.170 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.101 13.408 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.364 14.681 -2.132 1.00 0.00 H new ATOM 198 N ASN A 19 9.354 19.172 -0.397 1.00 0.00 N ATOM 199 CA ASN A 19 10.045 20.457 -0.274 1.00 0.00 C ATOM 200 C ASN A 19 10.377 20.768 1.186 1.00 0.00 C ATOM 201 O ASN A 19 11.390 21.400 1.487 1.00 0.00 O ATOM 202 CB ASN A 19 9.176 21.573 -0.854 1.00 0.00 C ATOM 203 CG ASN A 19 8.017 21.952 0.054 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.166 20.981 0.375 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 7.890 23.105 0.465 1.00 0.00 N flip ATOM 0 H ASN A 19 8.605 19.164 -1.089 1.00 0.00 H new ATOM 0 HA ASN A 19 10.979 20.394 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.794 22.453 -1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.785 21.257 -1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.565 23.820 0.195 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.109 23.346 1.076 1.00 0.00 H new ATOM 212 N ASP A 20 9.513 20.306 2.082 1.00 0.00 N ATOM 213 CA ASP A 20 9.696 20.512 3.513 1.00 0.00 C ATOM 214 C ASP A 20 10.054 19.200 4.192 1.00 0.00 C ATOM 215 O ASP A 20 10.828 19.169 5.147 1.00 0.00 O ATOM 216 CB ASP A 20 8.425 21.082 4.141 1.00 0.00 C ATOM 217 CG ASP A 20 8.025 22.413 3.537 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.677 23.429 3.855 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.058 22.440 2.746 1.00 0.00 O ATOM 0 H ASP A 20 8.672 19.782 1.840 1.00 0.00 H new ATOM 0 HA ASP A 20 10.510 21.224 3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.610 20.370 4.014 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.577 21.204 5.213 1.00 0.00 H new ATOM 224 N SER A 21 9.479 18.116 3.684 1.00 0.00 N ATOM 225 CA SER A 21 9.728 16.792 4.229 1.00 0.00 C ATOM 226 C SER A 21 11.137 16.308 3.886 1.00 0.00 C ATOM 227 O SER A 21 11.562 15.253 4.353 1.00 0.00 O ATOM 228 CB SER A 21 8.686 15.802 3.702 1.00 0.00 C ATOM 229 OG SER A 21 8.889 14.509 4.248 1.00 0.00 O ATOM 0 H SER A 21 8.835 18.131 2.893 1.00 0.00 H new ATOM 0 HA SER A 21 9.648 16.852 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.686 16.154 3.954 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.743 15.754 2.615 1.00 0.00 H new ATOM 0 HG SER A 21 9.834 14.399 4.485 1.00 0.00 H new ATOM 235 N GLY A 22 11.859 17.083 3.069 1.00 0.00 N ATOM 236 CA GLY A 22 13.213 16.705 2.690 1.00 0.00 C ATOM 237 C GLY A 22 14.028 16.203 3.868 1.00 0.00 C ATOM 238 O GLY A 22 14.912 15.359 3.706 1.00 0.00 O ATOM 0 H GLY A 22 11.530 17.961 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.170 15.929 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.715 17.564 2.245 1.00 0.00 H new ATOM 242 N SER A 23 13.723 16.715 5.055 1.00 0.00 N ATOM 243 CA SER A 23 14.425 16.308 6.267 1.00 0.00 C ATOM 244 C SER A 23 13.833 15.012 6.812 1.00 0.00 C ATOM 245 O SER A 23 14.556 14.139 7.291 1.00 0.00 O ATOM 246 CB SER A 23 14.340 17.408 7.326 1.00 0.00 C ATOM 247 OG SER A 23 14.722 16.921 8.601 1.00 0.00 O ATOM 0 H SER A 23 12.994 17.413 5.204 1.00 0.00 H new ATOM 0 HA SER A 23 15.473 16.139 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.985 18.240 7.043 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.322 17.795 7.371 1.00 0.00 H new ATOM 0 HG SER A 23 14.660 17.644 9.259 1.00 0.00 H new ATOM 253 N ALA A 24 12.511 14.893 6.726 1.00 0.00 N ATOM 254 CA ALA A 24 11.814 13.705 7.199 1.00 0.00 C ATOM 255 C ALA A 24 11.845 12.588 6.156 1.00 0.00 C ATOM 256 O ALA A 24 11.319 11.500 6.387 1.00 0.00 O ATOM 257 CB ALA A 24 10.371 14.049 7.557 1.00 0.00 C ATOM 0 H ALA A 24 11.901 15.609 6.331 1.00 0.00 H new ATOM 0 HA ALA A 24 12.329 13.347 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.860 13.153 7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.361 14.805 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.860 14.435 6.675 1.00 0.00 H new ATOM 263 N GLY A 25 12.448 12.866 5.000 1.00 0.00 N ATOM 264 CA GLY A 25 12.516 11.875 3.943 1.00 0.00 C ATOM 265 C GLY A 25 11.301 11.933 3.038 1.00 0.00 C ATOM 266 O GLY A 25 11.425 11.963 1.814 1.00 0.00 O ATOM 0 H GLY A 25 12.889 13.759 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.418 12.035 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.595 10.880 4.382 1.00 0.00 H new ATOM 270 N LEU A 26 10.123 11.960 3.651 1.00 0.00 N ATOM 271 CA LEU A 26 8.867 12.030 2.914 1.00 0.00 C ATOM 272 C LEU A 26 7.683 12.054 3.875 1.00 0.00 C ATOM 273 O LEU A 26 6.667 12.689 3.600 1.00 0.00 O ATOM 274 CB LEU A 26 8.735 10.859 1.942 1.00 0.00 C ATOM 275 CG LEU A 26 7.998 11.188 0.640 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.608 12.414 -0.026 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.025 9.997 -0.305 1.00 0.00 C ATOM 0 H LEU A 26 10.012 11.934 4.665 1.00 0.00 H new ATOM 0 HA LEU A 26 8.868 12.954 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.732 10.494 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.212 10.045 2.444 1.00 0.00 H new ATOM 0 HG LEU A 26 6.959 11.411 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.071 12.632 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.534 13.268 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.656 12.221 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.497 10.250 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.058 9.742 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.539 9.145 0.170 1.00 0.00 H new ATOM 289 N GLY A 27 7.823 11.374 5.008 1.00 0.00 N ATOM 290 CA GLY A 27 6.756 11.354 5.990 1.00 0.00 C ATOM 291 C GLY A 27 6.020 10.031 6.054 1.00 0.00 C ATOM 292 O GLY A 27 4.791 10.007 6.086 1.00 0.00 O ATOM 0 H GLY A 27 8.653 10.839 5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.172 11.577 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.044 12.146 5.758 1.00 0.00 H new ATOM 296 N VAL A 28 6.763 8.927 6.087 1.00 0.00 N ATOM 297 CA VAL A 28 6.144 7.607 6.160 1.00 0.00 C ATOM 298 C VAL A 28 7.101 6.563 6.719 1.00 0.00 C ATOM 299 O VAL A 28 8.317 6.684 6.589 1.00 0.00 O ATOM 300 CB VAL A 28 5.654 7.123 4.779 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.643 8.091 4.195 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.826 6.930 3.825 1.00 0.00 C ATOM 0 H VAL A 28 7.783 8.920 6.065 1.00 0.00 H new ATOM 0 HA VAL A 28 5.291 7.717 6.830 1.00 0.00 H new ATOM 0 HB VAL A 28 5.163 6.159 4.915 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.312 7.729 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.786 8.169 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.103 9.072 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.456 6.589 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.352 7.876 3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.510 6.187 4.235 1.00 0.00 H new ATOM 312 N SER A 29 6.532 5.523 7.312 1.00 0.00 N ATOM 313 CA SER A 29 7.314 4.429 7.865 1.00 0.00 C ATOM 314 C SER A 29 7.123 3.195 6.995 1.00 0.00 C ATOM 315 O SER A 29 5.995 2.747 6.787 1.00 0.00 O ATOM 316 CB SER A 29 6.894 4.141 9.309 1.00 0.00 C ATOM 317 OG SER A 29 6.107 5.197 9.833 1.00 0.00 O ATOM 0 H SER A 29 5.524 5.415 7.422 1.00 0.00 H new ATOM 0 HA SER A 29 8.368 4.706 7.875 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.330 3.209 9.348 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.781 4.003 9.928 1.00 0.00 H new ATOM 0 HG SER A 29 5.254 5.238 9.353 1.00 0.00 H new ATOM 323 N VAL A 30 8.219 2.666 6.461 1.00 0.00 N ATOM 324 CA VAL A 30 8.147 1.503 5.582 1.00 0.00 C ATOM 325 C VAL A 30 8.632 0.230 6.261 1.00 0.00 C ATOM 326 O VAL A 30 9.525 0.260 7.109 1.00 0.00 O ATOM 327 CB VAL A 30 8.973 1.725 4.301 1.00 0.00 C ATOM 328 CG1 VAL A 30 8.222 2.621 3.327 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.336 2.313 4.634 1.00 0.00 C ATOM 0 H VAL A 30 9.162 3.021 6.620 1.00 0.00 H new ATOM 0 HA VAL A 30 7.094 1.381 5.330 1.00 0.00 H new ATOM 0 HB VAL A 30 9.129 0.758 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.822 2.766 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.275 2.153 3.059 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.030 3.587 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.903 2.462 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.206 3.270 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.878 1.629 5.287 1.00 0.00 H new ATOM 339 N LYS A 31 8.035 -0.891 5.868 1.00 0.00 N ATOM 340 CA LYS A 31 8.391 -2.194 6.413 1.00 0.00 C ATOM 341 C LYS A 31 8.033 -3.294 5.417 1.00 0.00 C ATOM 342 O LYS A 31 6.911 -3.346 4.915 1.00 0.00 O ATOM 343 CB LYS A 31 7.666 -2.422 7.744 1.00 0.00 C ATOM 344 CG LYS A 31 7.790 -3.841 8.286 1.00 0.00 C ATOM 345 CD LYS A 31 6.458 -4.359 8.810 1.00 0.00 C ATOM 346 CE LYS A 31 6.115 -5.719 8.227 1.00 0.00 C ATOM 347 NZ LYS A 31 5.529 -6.631 9.248 1.00 0.00 N ATOM 0 H LYS A 31 7.295 -0.921 5.167 1.00 0.00 H new ATOM 0 HA LYS A 31 9.466 -2.222 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.061 -1.726 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.610 -2.185 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.154 -4.501 7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.530 -3.862 9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.497 -4.428 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.669 -3.648 8.564 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.410 -5.594 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.014 -6.172 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.163 -7.443 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.413 -6.118 10.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.602 -6.970 8.920 1.00 0.00 H new ATOM 361 N GLY A 32 8.993 -4.167 5.131 1.00 0.00 N ATOM 362 CA GLY A 32 8.753 -5.246 4.190 1.00 0.00 C ATOM 363 C GLY A 32 8.647 -6.599 4.861 1.00 0.00 C ATOM 364 O GLY A 32 8.998 -6.752 6.030 1.00 0.00 O ATOM 0 H GLY A 32 9.930 -4.147 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.833 -5.045 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.561 -5.271 3.459 1.00 0.00 H new ATOM 368 N ASN A 33 8.158 -7.583 4.115 1.00 0.00 N ATOM 369 CA ASN A 33 8.000 -8.935 4.637 1.00 0.00 C ATOM 370 C ASN A 33 8.945 -9.903 3.936 1.00 0.00 C ATOM 371 O ASN A 33 9.725 -9.510 3.069 1.00 0.00 O ATOM 372 CB ASN A 33 6.556 -9.408 4.470 1.00 0.00 C ATOM 373 CG ASN A 33 5.671 -8.988 5.627 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.668 -7.696 5.932 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 4.998 -9.816 6.240 1.00 0.00 N flip ATOM 0 H ASN A 33 7.864 -7.469 3.145 1.00 0.00 H new ATOM 0 HA ASN A 33 8.247 -8.915 5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.150 -9.006 3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.541 -10.494 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.031 -10.799 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.407 -9.519 7.017 1.00 0.00 H new ATOM 382 N ARG A 34 8.862 -11.170 4.317 1.00 0.00 N ATOM 383 CA ARG A 34 9.701 -12.205 3.731 1.00 0.00 C ATOM 384 C ARG A 34 8.930 -13.517 3.634 1.00 0.00 C ATOM 385 O ARG A 34 8.240 -13.909 4.573 1.00 0.00 O ATOM 386 CB ARG A 34 10.963 -12.402 4.574 1.00 0.00 C ATOM 387 CG ARG A 34 12.194 -12.761 3.757 1.00 0.00 C ATOM 388 CD ARG A 34 13.342 -11.797 4.017 1.00 0.00 C ATOM 389 NE ARG A 34 14.617 -12.495 4.171 1.00 0.00 N ATOM 390 CZ ARG A 34 14.921 -13.262 5.216 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.046 -13.434 6.198 1.00 0.00 N ATOM 392 NH2 ARG A 34 16.103 -13.859 5.279 1.00 0.00 N ATOM 0 H ARG A 34 8.218 -11.507 5.033 1.00 0.00 H new ATOM 0 HA ARG A 34 9.991 -11.892 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.163 -11.487 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.781 -13.189 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.509 -13.776 4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.943 -12.750 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.414 -11.088 3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.134 -11.219 4.917 1.00 0.00 H new ATOM 0 HE ARG A 34 15.315 -12.388 3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.135 -12.978 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.284 -14.023 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.780 -13.731 4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.336 -14.447 6.080 1.00 0.00 H new ATOM 406 N SER A 35 9.047 -14.192 2.493 1.00 0.00 N ATOM 407 CA SER A 35 8.350 -15.459 2.285 1.00 0.00 C ATOM 408 C SER A 35 8.555 -16.395 3.474 1.00 0.00 C ATOM 409 O SER A 35 9.625 -16.419 4.080 1.00 0.00 O ATOM 410 CB SER A 35 8.833 -16.130 0.996 1.00 0.00 C ATOM 411 OG SER A 35 9.047 -15.173 -0.027 1.00 0.00 O ATOM 0 H SER A 35 9.614 -13.885 1.703 1.00 0.00 H new ATOM 0 HA SER A 35 7.285 -15.248 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.758 -16.673 1.189 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.096 -16.862 0.665 1.00 0.00 H new ATOM 0 HG SER A 35 9.857 -14.658 0.171 1.00 0.00 H new ATOM 417 N LYS A 36 7.518 -17.154 3.810 1.00 0.00 N ATOM 418 CA LYS A 36 7.581 -18.079 4.936 1.00 0.00 C ATOM 419 C LYS A 36 8.570 -19.211 4.676 1.00 0.00 C ATOM 420 O LYS A 36 9.415 -19.516 5.518 1.00 0.00 O ATOM 421 CB LYS A 36 6.195 -18.657 5.226 1.00 0.00 C ATOM 422 CG LYS A 36 6.084 -19.307 6.596 1.00 0.00 C ATOM 423 CD LYS A 36 5.482 -20.700 6.507 1.00 0.00 C ATOM 424 CE LYS A 36 3.964 -20.656 6.556 1.00 0.00 C ATOM 425 NZ LYS A 36 3.384 -20.075 5.315 1.00 0.00 N ATOM 0 H LYS A 36 6.624 -17.147 3.319 1.00 0.00 H new ATOM 0 HA LYS A 36 7.928 -17.519 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.455 -17.861 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.950 -19.395 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.072 -19.365 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.469 -18.685 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.803 -21.178 5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.856 -21.312 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.576 -21.665 6.700 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.646 -20.066 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.456 -20.506 5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.272 -19.048 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.019 -20.265 4.513 1.00 0.00 H new ATOM 439 N GLU A 37 8.455 -19.836 3.511 1.00 0.00 N ATOM 440 CA GLU A 37 9.333 -20.941 3.148 1.00 0.00 C ATOM 441 C GLU A 37 10.517 -20.460 2.313 1.00 0.00 C ATOM 442 O GLU A 37 11.668 -20.785 2.607 1.00 0.00 O ATOM 443 CB GLU A 37 8.552 -22.006 2.377 1.00 0.00 C ATOM 444 CG GLU A 37 7.513 -22.729 3.221 1.00 0.00 C ATOM 445 CD GLU A 37 7.823 -24.204 3.392 1.00 0.00 C ATOM 446 OE1 GLU A 37 8.846 -24.527 4.032 1.00 0.00 O ATOM 447 OE2 GLU A 37 7.041 -25.036 2.885 1.00 0.00 O ATOM 0 H GLU A 37 7.762 -19.597 2.801 1.00 0.00 H new ATOM 0 HA GLU A 37 9.721 -21.374 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.055 -21.537 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.252 -22.737 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.456 -22.258 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.533 -22.619 2.757 1.00 0.00 H new ATOM 454 N ASN A 38 10.228 -19.691 1.270 1.00 0.00 N ATOM 455 CA ASN A 38 11.270 -19.173 0.388 1.00 0.00 C ATOM 456 C ASN A 38 12.177 -18.186 1.119 1.00 0.00 C ATOM 457 O ASN A 38 13.323 -17.973 0.719 1.00 0.00 O ATOM 458 CB ASN A 38 10.644 -18.496 -0.831 1.00 0.00 C ATOM 459 CG ASN A 38 9.556 -19.339 -1.468 1.00 0.00 C ATOM 460 OD1 ASN A 38 9.784 -20.489 -1.843 1.00 0.00 O ATOM 461 ND2 ASN A 38 8.363 -18.767 -1.594 1.00 0.00 N ATOM 0 H ASN A 38 9.281 -19.412 1.013 1.00 0.00 H new ATOM 0 HA ASN A 38 11.878 -20.017 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.227 -17.534 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.420 -18.293 -1.569 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.591 -19.284 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.219 -17.811 -1.269 1.00 0.00 H new ATOM 468 N HIS A 39 11.662 -17.579 2.182 1.00 0.00 N ATOM 469 CA HIS A 39 12.431 -16.609 2.956 1.00 0.00 C ATOM 470 C HIS A 39 12.896 -15.451 2.074 1.00 0.00 C ATOM 471 O HIS A 39 13.852 -14.750 2.406 1.00 0.00 O ATOM 472 CB HIS A 39 13.638 -17.285 3.610 1.00 0.00 C ATOM 473 CG HIS A 39 13.344 -17.862 4.959 1.00 0.00 C ATOM 474 ND1 HIS A 39 12.479 -17.274 5.860 1.00 0.00 N ATOM 475 CD2 HIS A 39 13.806 -18.983 5.561 1.00 0.00 C ATOM 476 CE1 HIS A 39 12.424 -18.009 6.957 1.00 0.00 C ATOM 477 NE2 HIS A 39 13.219 -19.051 6.801 1.00 0.00 N ATOM 0 H HIS A 39 10.716 -17.740 2.528 1.00 0.00 H new ATOM 0 HA HIS A 39 11.782 -16.210 3.735 1.00 0.00 H new ATOM 0 HB2 HIS A 39 13.998 -18.079 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.445 -16.558 3.703 1.00 0.00 H new ATOM 0 HD1 HIS A 39 11.963 -16.408 5.704 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.506 -19.692 5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.829 -17.794 7.833 1.00 0.00 H new ATOM 486 N ALA A 40 12.211 -15.254 0.949 1.00 0.00 N ATOM 487 CA ALA A 40 12.551 -14.183 0.020 1.00 0.00 C ATOM 488 C ALA A 40 11.720 -12.936 0.301 1.00 0.00 C ATOM 489 O ALA A 40 10.512 -13.022 0.523 1.00 0.00 O ATOM 490 CB ALA A 40 12.345 -14.644 -1.415 1.00 0.00 C ATOM 0 H ALA A 40 11.416 -15.824 0.660 1.00 0.00 H new ATOM 0 HA ALA A 40 13.602 -13.930 0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.603 -13.834 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.983 -15.505 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.302 -14.924 -1.561 1.00 0.00 H new ATOM 496 N ASP A 41 12.376 -11.779 0.298 1.00 0.00 N ATOM 497 CA ASP A 41 11.701 -10.511 0.559 1.00 0.00 C ATOM 498 C ASP A 41 10.404 -10.392 -0.238 1.00 0.00 C ATOM 499 O ASP A 41 10.375 -10.649 -1.441 1.00 0.00 O ATOM 500 CB ASP A 41 12.624 -9.341 0.218 1.00 0.00 C ATOM 501 CG ASP A 41 13.103 -9.386 -1.219 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.034 -10.164 -1.510 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.547 -8.640 -2.053 1.00 0.00 O ATOM 0 H ASP A 41 13.376 -11.693 0.117 1.00 0.00 H new ATOM 0 HA ASP A 41 11.452 -10.482 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.098 -8.403 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.485 -9.354 0.886 1.00 0.00 H new ATOM 508 N LEU A 42 9.334 -9.999 0.446 1.00 0.00 N ATOM 509 CA LEU A 42 8.033 -9.841 -0.195 1.00 0.00 C ATOM 510 C LEU A 42 7.743 -8.370 -0.493 1.00 0.00 C ATOM 511 O LEU A 42 6.594 -7.991 -0.720 1.00 0.00 O ATOM 512 CB LEU A 42 6.931 -10.423 0.693 1.00 0.00 C ATOM 513 CG LEU A 42 7.098 -11.900 1.061 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.848 -12.419 1.754 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.405 -12.730 -0.177 1.00 0.00 C ATOM 0 H LEU A 42 9.342 -9.784 1.443 1.00 0.00 H new ATOM 0 HA LEU A 42 8.054 -10.384 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.883 -9.840 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.974 -10.298 0.185 1.00 0.00 H new ATOM 0 HG LEU A 42 7.938 -11.990 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.983 -13.470 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.671 -11.845 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.992 -12.315 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.520 -13.776 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.587 -12.635 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.328 -12.374 -0.634 1.00 0.00 H new ATOM 527 N GLY A 43 8.790 -7.547 -0.490 1.00 0.00 N ATOM 528 CA GLY A 43 8.621 -6.130 -0.762 1.00 0.00 C ATOM 529 C GLY A 43 8.333 -5.326 0.491 1.00 0.00 C ATOM 530 O GLY A 43 8.218 -5.888 1.582 1.00 0.00 O ATOM 0 H GLY A 43 9.750 -7.836 -0.304 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.523 -5.745 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.805 -5.995 -1.472 1.00 0.00 H new ATOM 534 N ILE A 44 8.212 -4.010 0.337 1.00 0.00 N ATOM 535 CA ILE A 44 7.932 -3.133 1.469 1.00 0.00 C ATOM 536 C ILE A 44 6.490 -2.645 1.444 1.00 0.00 C ATOM 537 O ILE A 44 5.873 -2.549 0.383 1.00 0.00 O ATOM 538 CB ILE A 44 8.877 -1.913 1.508 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.197 -1.430 0.091 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.155 -2.253 2.265 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.424 -2.079 -0.508 1.00 0.00 C ATOM 0 H ILE A 44 8.303 -3.529 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 44 8.099 -3.729 2.366 1.00 0.00 H new ATOM 0 HB ILE A 44 8.372 -1.103 2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.340 -1.628 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.340 -0.350 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 44 10.810 -1.382 2.283 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.907 -2.542 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.664 -3.079 1.768 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.589 -1.688 -1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.292 -1.859 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.277 -3.158 -0.558 1.00 0.00 H new ATOM 553 N PHE A 45 5.960 -2.345 2.622 1.00 0.00 N ATOM 554 CA PHE A 45 4.589 -1.870 2.748 1.00 0.00 C ATOM 555 C PHE A 45 4.515 -0.687 3.702 1.00 0.00 C ATOM 556 O PHE A 45 5.154 -0.686 4.756 1.00 0.00 O ATOM 557 CB PHE A 45 3.682 -2.998 3.253 1.00 0.00 C ATOM 558 CG PHE A 45 4.038 -4.352 2.707 1.00 0.00 C ATOM 559 CD1 PHE A 45 3.487 -4.804 1.519 1.00 0.00 C ATOM 560 CD2 PHE A 45 4.928 -5.172 3.385 1.00 0.00 C ATOM 561 CE1 PHE A 45 3.815 -6.048 1.016 1.00 0.00 C ATOM 562 CE2 PHE A 45 5.260 -6.416 2.886 1.00 0.00 C ATOM 563 CZ PHE A 45 4.703 -6.855 1.702 1.00 0.00 C ATOM 0 H PHE A 45 6.461 -2.423 3.507 1.00 0.00 H new ATOM 0 HA PHE A 45 4.248 -1.548 1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.731 -3.031 4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.650 -2.769 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.793 -4.176 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.366 -4.834 4.313 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.379 -6.389 0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.955 -7.045 3.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.961 -7.828 1.312 1.00 0.00 H new ATOM 573 N VAL A 46 3.725 0.315 3.333 1.00 0.00 N ATOM 574 CA VAL A 46 3.561 1.499 4.166 1.00 0.00 C ATOM 575 C VAL A 46 3.117 1.103 5.567 1.00 0.00 C ATOM 576 O VAL A 46 1.962 0.746 5.784 1.00 0.00 O ATOM 577 CB VAL A 46 2.530 2.469 3.559 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.477 3.764 4.354 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.855 2.748 2.099 1.00 0.00 C ATOM 0 H VAL A 46 3.190 0.331 2.465 1.00 0.00 H new ATOM 0 HA VAL A 46 4.526 2.003 4.218 1.00 0.00 H new ATOM 0 HB VAL A 46 1.548 2.000 3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.743 4.435 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.193 3.547 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.458 4.239 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.116 3.435 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.847 3.195 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.835 1.814 1.537 1.00 0.00 H new ATOM 589 N LYS A 47 4.048 1.160 6.514 1.00 0.00 N ATOM 590 CA LYS A 47 3.755 0.798 7.895 1.00 0.00 C ATOM 591 C LYS A 47 2.921 1.877 8.570 1.00 0.00 C ATOM 592 O LYS A 47 1.968 1.579 9.292 1.00 0.00 O ATOM 593 CB LYS A 47 5.053 0.576 8.674 1.00 0.00 C ATOM 594 CG LYS A 47 4.832 0.103 10.102 1.00 0.00 C ATOM 595 CD LYS A 47 4.477 -1.374 10.150 1.00 0.00 C ATOM 596 CE LYS A 47 3.848 -1.751 11.481 1.00 0.00 C ATOM 597 NZ LYS A 47 3.411 -3.175 11.504 1.00 0.00 N ATOM 0 H LYS A 47 5.011 1.453 6.350 1.00 0.00 H new ATOM 0 HA LYS A 47 3.183 -0.130 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.662 -0.158 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.620 1.507 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.733 0.281 10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.033 0.686 10.560 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.787 -1.610 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.375 -1.971 9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.565 -1.578 12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.992 -1.105 11.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.987 -3.393 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.708 -3.335 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.232 -3.793 11.345 1.00 0.00 H new ATOM 611 N SER A 48 3.282 3.131 8.331 1.00 0.00 N ATOM 612 CA SER A 48 2.560 4.254 8.916 1.00 0.00 C ATOM 613 C SER A 48 2.988 5.572 8.285 1.00 0.00 C ATOM 614 O SER A 48 4.154 5.959 8.356 1.00 0.00 O ATOM 615 CB SER A 48 2.786 4.301 10.429 1.00 0.00 C ATOM 616 OG SER A 48 1.767 5.045 11.074 1.00 0.00 O ATOM 0 H SER A 48 4.068 3.396 7.738 1.00 0.00 H new ATOM 0 HA SER A 48 1.498 4.109 8.717 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.808 3.287 10.828 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.757 4.748 10.641 1.00 0.00 H new ATOM 0 HG SER A 48 1.933 5.059 12.040 1.00 0.00 H new ATOM 622 N ILE A 49 2.033 6.256 7.667 1.00 0.00 N ATOM 623 CA ILE A 49 2.302 7.533 7.019 1.00 0.00 C ATOM 624 C ILE A 49 2.218 8.684 8.012 1.00 0.00 C ATOM 625 O ILE A 49 1.184 8.899 8.646 1.00 0.00 O ATOM 626 CB ILE A 49 1.314 7.787 5.863 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.404 6.662 4.838 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.581 9.135 5.200 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.343 6.743 3.765 1.00 0.00 C ATOM 0 H ILE A 49 1.063 5.947 7.601 1.00 0.00 H new ATOM 0 HA ILE A 49 3.315 7.482 6.620 1.00 0.00 H new ATOM 0 HB ILE A 49 0.305 7.809 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.388 6.686 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.319 5.704 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.870 9.288 4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.469 9.931 5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.595 9.150 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.465 5.913 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.644 6.689 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.442 7.685 3.226 1.00 0.00 H new ATOM 641 N ILE A 50 3.310 9.429 8.135 1.00 0.00 N ATOM 642 CA ILE A 50 3.358 10.568 9.041 1.00 0.00 C ATOM 643 C ILE A 50 2.290 11.590 8.666 1.00 0.00 C ATOM 644 O ILE A 50 2.418 12.287 7.660 1.00 0.00 O ATOM 645 CB ILE A 50 4.747 11.244 9.023 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.755 10.401 9.802 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.681 12.651 9.611 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.687 9.591 8.929 1.00 0.00 C ATOM 0 H ILE A 50 4.174 9.264 7.618 1.00 0.00 H new ATOM 0 HA ILE A 50 3.168 10.195 10.048 1.00 0.00 H new ATOM 0 HB ILE A 50 5.070 11.321 7.985 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.349 11.059 10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.213 9.724 10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.673 13.103 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.991 13.258 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.333 12.598 10.642 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.371 9.021 9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.105 8.906 8.312 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.258 10.261 8.287 1.00 0.00 H new ATOM 660 N ASN A 51 1.241 11.673 9.477 1.00 0.00 N ATOM 661 CA ASN A 51 0.154 12.611 9.223 1.00 0.00 C ATOM 662 C ASN A 51 0.665 14.049 9.239 1.00 0.00 C ATOM 663 O ASN A 51 0.499 14.768 10.225 1.00 0.00 O ATOM 664 CB ASN A 51 -0.955 12.438 10.263 1.00 0.00 C ATOM 665 CG ASN A 51 -0.423 12.463 11.681 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.070 11.294 12.199 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -0.331 13.520 12.305 1.00 0.00 N flip ATOM 0 H ASN A 51 1.121 11.103 10.314 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.253 12.398 8.234 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.692 13.231 10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.471 11.494 10.087 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.614 14.397 11.868 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.028 13.519 13.260 1.00 0.00 H new ATOM 674 N GLY A 52 1.290 14.454 8.142 1.00 0.00 N ATOM 675 CA GLY A 52 1.825 15.795 8.040 1.00 0.00 C ATOM 676 C GLY A 52 2.953 15.886 7.033 1.00 0.00 C ATOM 677 O GLY A 52 3.173 16.937 6.430 1.00 0.00 O ATOM 0 H GLY A 52 1.436 13.873 7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.028 16.481 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.186 16.116 9.017 1.00 0.00 H new ATOM 681 N GLY A 53 3.672 14.781 6.848 1.00 0.00 N ATOM 682 CA GLY A 53 4.773 14.767 5.908 1.00 0.00 C ATOM 683 C GLY A 53 4.320 14.914 4.468 1.00 0.00 C ATOM 684 O GLY A 53 3.150 15.189 4.197 1.00 0.00 O ATOM 0 H GLY A 53 3.510 13.898 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.462 15.575 6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.325 13.834 6.017 1.00 0.00 H new ATOM 688 N ALA A 54 5.256 14.736 3.545 1.00 0.00 N ATOM 689 CA ALA A 54 4.977 14.852 2.119 1.00 0.00 C ATOM 690 C ALA A 54 3.978 13.806 1.638 1.00 0.00 C ATOM 691 O ALA A 54 3.106 14.098 0.820 1.00 0.00 O ATOM 692 CB ALA A 54 6.271 14.727 1.334 1.00 0.00 C ATOM 0 H ALA A 54 6.226 14.508 3.762 1.00 0.00 H new ATOM 0 HA ALA A 54 4.529 15.831 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.060 14.814 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.957 15.520 1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.727 13.758 1.536 1.00 0.00 H new ATOM 698 N ALA A 55 4.120 12.585 2.134 1.00 0.00 N ATOM 699 CA ALA A 55 3.240 11.492 1.735 1.00 0.00 C ATOM 700 C ALA A 55 1.804 11.735 2.171 1.00 0.00 C ATOM 701 O ALA A 55 0.867 11.526 1.401 1.00 0.00 O ATOM 702 CB ALA A 55 3.743 10.178 2.302 1.00 0.00 C ATOM 0 H ALA A 55 4.835 12.325 2.813 1.00 0.00 H new ATOM 0 HA ALA A 55 3.251 11.442 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.077 9.371 1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.747 9.981 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.767 10.237 3.390 1.00 0.00 H new ATOM 708 N SER A 56 1.634 12.173 3.410 1.00 0.00 N ATOM 709 CA SER A 56 0.303 12.441 3.941 1.00 0.00 C ATOM 710 C SER A 56 -0.311 13.656 3.259 1.00 0.00 C ATOM 711 O SER A 56 -1.531 13.765 3.139 1.00 0.00 O ATOM 712 CB SER A 56 0.368 12.666 5.450 1.00 0.00 C ATOM 713 OG SER A 56 -0.823 12.231 6.085 1.00 0.00 O ATOM 0 H SER A 56 2.396 12.350 4.065 1.00 0.00 H new ATOM 0 HA SER A 56 -0.326 11.574 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.221 12.129 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.527 13.724 5.656 1.00 0.00 H new ATOM 0 HG SER A 56 -1.595 12.471 5.532 1.00 0.00 H new ATOM 719 N LYS A 57 0.548 14.564 2.813 1.00 0.00 N ATOM 720 CA LYS A 57 0.103 15.774 2.140 1.00 0.00 C ATOM 721 C LYS A 57 -0.249 15.493 0.684 1.00 0.00 C ATOM 722 O LYS A 57 -1.092 16.169 0.094 1.00 0.00 O ATOM 723 CB LYS A 57 1.183 16.833 2.231 1.00 0.00 C ATOM 724 CG LYS A 57 1.276 17.426 3.619 1.00 0.00 C ATOM 725 CD LYS A 57 2.352 18.479 3.693 1.00 0.00 C ATOM 726 CE LYS A 57 1.759 19.873 3.576 1.00 0.00 C ATOM 727 NZ LYS A 57 2.638 20.906 4.189 1.00 0.00 N ATOM 0 H LYS A 57 1.560 14.483 2.907 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.798 16.137 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.144 16.396 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.977 17.625 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.316 17.863 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.486 16.637 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.891 18.387 4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.077 18.320 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.598 20.111 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.783 19.894 4.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.197 21.842 4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.771 20.694 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.561 20.905 3.710 1.00 0.00 H new ATOM 741 N ASP A 58 0.401 14.484 0.110 1.00 0.00 N ATOM 742 CA ASP A 58 0.155 14.103 -1.275 1.00 0.00 C ATOM 743 C ASP A 58 -1.308 13.722 -1.475 1.00 0.00 C ATOM 744 O ASP A 58 -1.865 13.897 -2.560 1.00 0.00 O ATOM 745 CB ASP A 58 1.059 12.933 -1.672 1.00 0.00 C ATOM 746 CG ASP A 58 1.637 13.097 -3.062 1.00 0.00 C ATOM 747 OD1 ASP A 58 2.061 14.221 -3.399 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.667 12.100 -3.815 1.00 0.00 O ATOM 0 H ASP A 58 1.103 13.916 0.585 1.00 0.00 H new ATOM 0 HA ASP A 58 0.382 14.958 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.872 12.845 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.489 12.005 -1.625 1.00 0.00 H new ATOM 753 N GLY A 59 -1.925 13.202 -0.420 1.00 0.00 N ATOM 754 CA GLY A 59 -3.319 12.807 -0.495 1.00 0.00 C ATOM 755 C GLY A 59 -3.535 11.551 -1.322 1.00 0.00 C ATOM 756 O GLY A 59 -4.668 11.237 -1.690 1.00 0.00 O ATOM 0 H GLY A 59 -1.484 13.047 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.699 12.642 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.900 13.623 -0.925 1.00 0.00 H new ATOM 760 N ARG A 60 -2.457 10.830 -1.614 1.00 0.00 N ATOM 761 CA ARG A 60 -2.551 9.604 -2.400 1.00 0.00 C ATOM 762 C ARG A 60 -1.810 8.451 -1.723 1.00 0.00 C ATOM 763 O ARG A 60 -1.754 7.342 -2.255 1.00 0.00 O ATOM 764 CB ARG A 60 -1.988 9.826 -3.803 1.00 0.00 C ATOM 765 CG ARG A 60 -2.490 11.096 -4.469 1.00 0.00 C ATOM 766 CD ARG A 60 -1.430 11.710 -5.370 1.00 0.00 C ATOM 767 NE ARG A 60 -0.874 12.934 -4.801 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.315 13.904 -5.525 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.219 13.789 -6.845 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.157 14.989 -4.927 1.00 0.00 N ATOM 0 H ARG A 60 -1.511 11.072 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.606 9.338 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.900 9.861 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.247 8.972 -4.428 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.382 10.873 -5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.782 11.817 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.629 10.989 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.865 11.928 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.916 13.054 -3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.574 12.954 -7.311 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.210 14.535 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.092 15.082 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.585 15.731 -5.481 1.00 0.00 H new ATOM 784 N LEU A 61 -1.239 8.718 -0.552 1.00 0.00 N ATOM 785 CA LEU A 61 -0.500 7.700 0.186 1.00 0.00 C ATOM 786 C LEU A 61 -1.319 7.161 1.355 1.00 0.00 C ATOM 787 O LEU A 61 -1.826 7.925 2.177 1.00 0.00 O ATOM 788 CB LEU A 61 0.823 8.276 0.695 1.00 0.00 C ATOM 789 CG LEU A 61 2.050 7.904 -0.140 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.734 9.152 -0.679 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.027 7.072 0.680 1.00 0.00 C ATOM 0 H LEU A 61 -1.274 9.629 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.295 6.873 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.740 9.362 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.981 7.936 1.718 1.00 0.00 H new ATOM 0 HG LEU A 61 1.715 7.305 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.604 8.864 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.037 9.707 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.052 9.780 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.892 6.818 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.353 7.644 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.536 6.157 1.012 1.00 0.00 H new ATOM 803 N ARG A 62 -1.431 5.838 1.428 1.00 0.00 N ATOM 804 CA ARG A 62 -2.174 5.189 2.502 1.00 0.00 C ATOM 805 C ARG A 62 -1.427 3.960 3.010 1.00 0.00 C ATOM 806 O ARG A 62 -0.819 3.225 2.230 1.00 0.00 O ATOM 807 CB ARG A 62 -3.570 4.786 2.028 1.00 0.00 C ATOM 808 CG ARG A 62 -3.583 4.181 0.640 1.00 0.00 C ATOM 809 CD ARG A 62 -4.386 5.030 -0.329 1.00 0.00 C ATOM 810 NE ARG A 62 -4.018 4.773 -1.718 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.580 5.382 -2.757 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.530 6.289 -2.567 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.189 5.089 -3.986 1.00 0.00 N ATOM 0 H ARG A 62 -1.016 5.194 0.755 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.272 5.904 3.319 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.992 4.069 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.217 5.663 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.560 4.080 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.006 3.177 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.448 4.829 -0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.230 6.085 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.287 4.086 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.832 6.521 -1.621 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.959 6.754 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.456 4.396 -4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.620 5.556 -4.783 1.00 0.00 H new ATOM 827 N VAL A 63 -1.473 3.743 4.319 1.00 0.00 N ATOM 828 CA VAL A 63 -0.800 2.604 4.934 1.00 0.00 C ATOM 829 C VAL A 63 -1.257 1.287 4.307 1.00 0.00 C ATOM 830 O VAL A 63 -2.414 1.152 3.908 1.00 0.00 O ATOM 831 CB VAL A 63 -1.056 2.567 6.454 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.253 1.458 7.117 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.723 3.914 7.077 1.00 0.00 C ATOM 0 H VAL A 63 -1.971 4.342 4.977 1.00 0.00 H new ATOM 0 HA VAL A 63 0.269 2.725 4.756 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.113 2.358 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.453 1.455 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.540 0.496 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.810 1.627 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.908 3.874 8.150 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.326 4.148 6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.348 4.686 6.629 1.00 0.00 H new ATOM 843 N ASN A 64 -0.334 0.325 4.223 1.00 0.00 N ATOM 844 CA ASN A 64 -0.615 -0.995 3.646 1.00 0.00 C ATOM 845 C ASN A 64 -0.403 -0.998 2.133 1.00 0.00 C ATOM 846 O ASN A 64 -0.812 -1.932 1.443 1.00 0.00 O ATOM 847 CB ASN A 64 -2.039 -1.462 3.975 1.00 0.00 C ATOM 848 CG ASN A 64 -2.411 -1.213 5.424 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.627 -1.489 6.334 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.611 -0.691 5.647 1.00 0.00 N ATOM 0 H ASN A 64 0.625 0.437 4.551 1.00 0.00 H new ATOM 0 HA ASN A 64 0.090 -1.694 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.747 -0.944 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.128 -2.526 3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.916 -0.503 6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.228 -0.478 4.863 1.00 0.00 H new ATOM 857 N ASP A 65 0.247 0.044 1.620 1.00 0.00 N ATOM 858 CA ASP A 65 0.519 0.147 0.193 1.00 0.00 C ATOM 859 C ASP A 65 1.898 -0.423 -0.128 1.00 0.00 C ATOM 860 O ASP A 65 2.910 0.048 0.392 1.00 0.00 O ATOM 861 CB ASP A 65 0.437 1.605 -0.262 1.00 0.00 C ATOM 862 CG ASP A 65 -0.947 1.978 -0.756 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.922 1.312 -0.351 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.056 2.938 -1.548 1.00 0.00 O ATOM 0 H ASP A 65 0.594 0.828 2.173 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.234 -0.431 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.712 2.258 0.566 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.162 1.776 -1.057 1.00 0.00 H new ATOM 869 N GLN A 66 1.932 -1.438 -0.984 1.00 0.00 N ATOM 870 CA GLN A 66 3.189 -2.071 -1.367 1.00 0.00 C ATOM 871 C GLN A 66 3.930 -1.223 -2.396 1.00 0.00 C ATOM 872 O GLN A 66 3.332 -0.733 -3.352 1.00 0.00 O ATOM 873 CB GLN A 66 2.924 -3.471 -1.930 1.00 0.00 C ATOM 874 CG GLN A 66 4.146 -4.124 -2.560 1.00 0.00 C ATOM 875 CD GLN A 66 4.450 -5.487 -1.968 1.00 0.00 C ATOM 876 OE1 GLN A 66 3.716 -6.450 -2.190 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.536 -5.573 -1.209 1.00 0.00 N ATOM 0 H GLN A 66 1.105 -1.840 -1.426 1.00 0.00 H new ATOM 0 HA GLN A 66 3.815 -2.158 -0.479 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.555 -4.111 -1.128 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.132 -3.408 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.986 -4.226 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.010 -3.473 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.115 -4.748 -1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.791 -6.464 -0.783 1.00 0.00 H new ATOM 886 N LEU A 67 5.235 -1.054 -2.196 1.00 0.00 N ATOM 887 CA LEU A 67 6.049 -0.265 -3.116 1.00 0.00 C ATOM 888 C LEU A 67 6.524 -1.119 -4.288 1.00 0.00 C ATOM 889 O LEU A 67 6.874 -2.286 -4.117 1.00 0.00 O ATOM 890 CB LEU A 67 7.254 0.335 -2.389 1.00 0.00 C ATOM 891 CG LEU A 67 6.915 1.362 -1.308 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.140 1.672 -0.460 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.365 2.636 -1.936 1.00 0.00 C ATOM 0 H LEU A 67 5.749 -1.451 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 67 5.430 0.545 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.823 -0.475 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.905 0.807 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 67 6.148 0.937 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.878 2.405 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.491 0.758 0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.929 2.075 -1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.129 3.356 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.111 3.062 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.461 2.403 -2.499 1.00 0.00 H new ATOM 905 N ILE A 68 6.531 -0.528 -5.478 1.00 0.00 N ATOM 906 CA ILE A 68 6.962 -1.233 -6.679 1.00 0.00 C ATOM 907 C ILE A 68 8.106 -0.498 -7.370 1.00 0.00 C ATOM 908 O ILE A 68 9.049 -1.119 -7.858 1.00 0.00 O ATOM 909 CB ILE A 68 5.802 -1.406 -7.676 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.569 -1.966 -6.968 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.221 -2.313 -8.824 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.290 -1.806 -7.762 1.00 0.00 C ATOM 0 H ILE A 68 6.243 0.438 -5.636 1.00 0.00 H new ATOM 0 HA ILE A 68 7.307 -2.216 -6.360 1.00 0.00 H new ATOM 0 HB ILE A 68 5.547 -0.429 -8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.728 -3.024 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.455 -1.467 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.390 -2.426 -9.521 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.073 -1.873 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.501 -3.291 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.457 -2.226 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.106 -0.748 -7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.385 -2.329 -8.713 1.00 0.00 H new ATOM 924 N ALA A 69 8.016 0.827 -7.411 1.00 0.00 N ATOM 925 CA ALA A 69 9.044 1.641 -8.047 1.00 0.00 C ATOM 926 C ALA A 69 9.068 3.053 -7.473 1.00 0.00 C ATOM 927 O ALA A 69 8.022 3.657 -7.237 1.00 0.00 O ATOM 928 CB ALA A 69 8.821 1.685 -9.552 1.00 0.00 C ATOM 0 H ALA A 69 7.243 1.359 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 69 10.012 1.182 -7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.595 2.296 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.866 0.674 -9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.843 2.117 -9.762 1.00 0.00 H new ATOM 934 N VAL A 70 10.272 3.574 -7.255 1.00 0.00 N ATOM 935 CA VAL A 70 10.438 4.916 -6.712 1.00 0.00 C ATOM 936 C VAL A 70 11.374 5.743 -7.589 1.00 0.00 C ATOM 937 O VAL A 70 12.498 5.331 -7.874 1.00 0.00 O ATOM 938 CB VAL A 70 10.992 4.880 -5.274 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.375 4.242 -5.244 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.031 6.280 -4.677 1.00 0.00 C ATOM 0 H VAL A 70 11.147 3.086 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 70 9.451 5.378 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 70 10.323 4.270 -4.667 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.747 4.227 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.313 3.222 -5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.056 4.820 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.425 6.232 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.673 6.917 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.023 6.695 -4.656 1.00 0.00 H new ATOM 950 N ASN A 71 10.900 6.907 -8.021 1.00 0.00 N ATOM 951 CA ASN A 71 11.696 7.789 -8.871 1.00 0.00 C ATOM 952 C ASN A 71 12.048 7.099 -10.185 1.00 0.00 C ATOM 953 O ASN A 71 13.067 7.406 -10.804 1.00 0.00 O ATOM 954 CB ASN A 71 12.978 8.212 -8.153 1.00 0.00 C ATOM 955 CG ASN A 71 12.721 9.215 -7.047 1.00 0.00 C ATOM 956 OD1 ASN A 71 12.626 8.727 -5.815 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 12.612 10.416 -7.294 1.00 0.00 N flip ATOM 0 H ASN A 71 9.970 7.262 -7.798 1.00 0.00 H new ATOM 0 HA ASN A 71 11.100 8.675 -9.087 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.463 7.331 -7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.670 8.643 -8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.692 10.748 -8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.442 11.079 -6.538 1.00 0.00 H new ATOM 964 N GLY A 72 11.206 6.161 -10.600 1.00 0.00 N ATOM 965 CA GLY A 72 11.448 5.436 -11.831 1.00 0.00 C ATOM 966 C GLY A 72 12.455 4.317 -11.643 1.00 0.00 C ATOM 967 O GLY A 72 13.128 3.911 -12.591 1.00 0.00 O ATOM 0 H GLY A 72 10.357 5.889 -10.104 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.509 5.021 -12.198 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.811 6.126 -12.593 1.00 0.00 H new ATOM 971 N GLU A 73 12.561 3.823 -10.415 1.00 0.00 N ATOM 972 CA GLU A 73 13.494 2.749 -10.096 1.00 0.00 C ATOM 973 C GLU A 73 12.793 1.634 -9.326 1.00 0.00 C ATOM 974 O GLU A 73 12.512 1.773 -8.136 1.00 0.00 O ATOM 975 CB GLU A 73 14.672 3.288 -9.278 1.00 0.00 C ATOM 976 CG GLU A 73 14.991 4.750 -9.550 1.00 0.00 C ATOM 977 CD GLU A 73 16.481 5.026 -9.585 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.243 4.247 -8.976 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.887 6.022 -10.221 1.00 0.00 O ATOM 0 H GLU A 73 12.010 4.150 -9.621 1.00 0.00 H new ATOM 0 HA GLU A 73 13.872 2.340 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.452 3.165 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.556 2.687 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.549 5.043 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.529 5.368 -8.780 1.00 0.00 H new ATOM 986 N SER A 74 12.515 0.530 -10.011 1.00 0.00 N ATOM 987 CA SER A 74 11.847 -0.608 -9.389 1.00 0.00 C ATOM 988 C SER A 74 12.648 -1.130 -8.202 1.00 0.00 C ATOM 989 O SER A 74 13.863 -0.938 -8.126 1.00 0.00 O ATOM 990 CB SER A 74 11.641 -1.725 -10.413 1.00 0.00 C ATOM 991 OG SER A 74 10.672 -2.656 -9.963 1.00 0.00 O ATOM 0 H SER A 74 12.742 0.399 -10.997 1.00 0.00 H new ATOM 0 HA SER A 74 10.875 -0.273 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.325 -1.297 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.586 -2.237 -10.593 1.00 0.00 H new ATOM 0 HG SER A 74 10.108 -2.237 -9.280 1.00 0.00 H new ATOM 997 N LEU A 75 11.961 -1.788 -7.275 1.00 0.00 N ATOM 998 CA LEU A 75 12.608 -2.338 -6.089 1.00 0.00 C ATOM 999 C LEU A 75 12.470 -3.859 -6.024 1.00 0.00 C ATOM 1000 O LEU A 75 13.099 -4.512 -5.192 1.00 0.00 O ATOM 1001 CB LEU A 75 12.011 -1.712 -4.827 1.00 0.00 C ATOM 1002 CG LEU A 75 11.798 -0.198 -4.886 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.521 0.190 -4.157 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.994 0.529 -4.292 1.00 0.00 C ATOM 0 H LEU A 75 10.956 -1.954 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 75 13.669 -2.098 -6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.053 -2.189 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.665 -1.938 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 75 11.699 0.097 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.386 1.270 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.670 -0.305 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.590 -0.117 -3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.827 1.605 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.122 0.229 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.891 0.275 -4.856 1.00 0.00 H new ATOM 1016 N LEU A 76 11.644 -4.423 -6.906 1.00 0.00 N ATOM 1017 CA LEU A 76 11.431 -5.865 -6.937 1.00 0.00 C ATOM 1018 C LEU A 76 12.746 -6.619 -7.129 1.00 0.00 C ATOM 1019 O LEU A 76 12.842 -7.805 -6.812 1.00 0.00 O ATOM 1020 CB LEU A 76 10.454 -6.231 -8.058 1.00 0.00 C ATOM 1021 CG LEU A 76 8.977 -6.025 -7.719 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.116 -6.204 -8.960 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.539 -6.988 -6.624 1.00 0.00 C ATOM 0 H LEU A 76 11.114 -3.903 -7.605 1.00 0.00 H new ATOM 0 HA LEU A 76 11.008 -6.160 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.696 -5.636 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.608 -7.276 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 76 8.848 -5.007 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.068 -6.054 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.411 -5.476 -9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.251 -7.211 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.485 -6.826 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.684 -8.014 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.134 -6.815 -5.727 1.00 0.00 H new ATOM 1035 N GLY A 77 13.758 -5.928 -7.650 1.00 0.00 N ATOM 1036 CA GLY A 77 15.046 -6.556 -7.872 1.00 0.00 C ATOM 1037 C GLY A 77 15.997 -6.377 -6.702 1.00 0.00 C ATOM 1038 O GLY A 77 17.216 -6.384 -6.880 1.00 0.00 O ATOM 0 H GLY A 77 13.707 -4.946 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.899 -7.620 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.499 -6.137 -8.770 1.00 0.00 H new ATOM 1042 N LYS A 78 15.444 -6.222 -5.503 1.00 0.00 N ATOM 1043 CA LYS A 78 16.257 -6.043 -4.304 1.00 0.00 C ATOM 1044 C LYS A 78 15.461 -6.357 -3.049 1.00 0.00 C ATOM 1045 O LYS A 78 14.231 -6.408 -3.068 1.00 0.00 O ATOM 1046 CB LYS A 78 16.808 -4.619 -4.236 1.00 0.00 C ATOM 1047 CG LYS A 78 15.732 -3.546 -4.183 1.00 0.00 C ATOM 1048 CD LYS A 78 16.336 -2.154 -4.079 1.00 0.00 C ATOM 1049 CE LYS A 78 17.320 -1.882 -5.208 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.723 -1.806 -4.716 1.00 0.00 N ATOM 0 H LYS A 78 14.438 -6.217 -5.335 1.00 0.00 H new ATOM 0 HA LYS A 78 17.092 -6.741 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.443 -4.527 -3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.441 -4.443 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.111 -3.608 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.080 -3.725 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.540 -1.409 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.844 -2.048 -3.120 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.240 -2.670 -5.957 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.057 -0.946 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.161 -0.924 -5.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.728 -1.821 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.262 -2.619 -5.076 1.00 0.00 H new ATOM 1064 N ALA A 79 16.183 -6.570 -1.962 1.00 0.00 N ATOM 1065 CA ALA A 79 15.576 -6.888 -0.682 1.00 0.00 C ATOM 1066 C ALA A 79 14.764 -5.715 -0.145 1.00 0.00 C ATOM 1067 O ALA A 79 14.912 -4.585 -0.611 1.00 0.00 O ATOM 1068 CB ALA A 79 16.660 -7.284 0.305 1.00 0.00 C ATOM 0 H ALA A 79 17.202 -6.528 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 79 14.889 -7.723 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.207 -7.523 1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.194 -8.157 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.359 -6.457 0.429 1.00 0.00 H new ATOM 1074 N ASN A 80 13.908 -5.988 0.835 1.00 0.00 N ATOM 1075 CA ASN A 80 13.076 -4.947 1.430 1.00 0.00 C ATOM 1076 C ASN A 80 13.932 -3.807 1.957 1.00 0.00 C ATOM 1077 O ASN A 80 13.764 -2.658 1.559 1.00 0.00 O ATOM 1078 CB ASN A 80 12.227 -5.518 2.567 1.00 0.00 C ATOM 1079 CG ASN A 80 11.524 -6.800 2.179 1.00 0.00 C ATOM 1080 OD1 ASN A 80 10.528 -6.782 1.456 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.042 -7.923 2.659 1.00 0.00 N ATOM 0 H ASN A 80 13.772 -6.917 1.233 1.00 0.00 H new ATOM 0 HA ASN A 80 12.416 -4.563 0.652 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.863 -5.704 3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.486 -4.778 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.613 -8.820 2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.869 -7.889 3.255 1.00 0.00 H new ATOM 1088 N GLN A 81 14.853 -4.134 2.858 1.00 0.00 N ATOM 1089 CA GLN A 81 15.740 -3.134 3.445 1.00 0.00 C ATOM 1090 C GLN A 81 16.480 -2.358 2.361 1.00 0.00 C ATOM 1091 O GLN A 81 16.672 -1.145 2.469 1.00 0.00 O ATOM 1092 CB GLN A 81 16.743 -3.797 4.391 1.00 0.00 C ATOM 1093 CG GLN A 81 17.394 -5.045 3.820 1.00 0.00 C ATOM 1094 CD GLN A 81 18.718 -4.756 3.145 1.00 0.00 C ATOM 1095 OE1 GLN A 81 18.806 -5.080 1.861 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 19.650 -4.249 3.768 1.00 0.00 N flip ATOM 0 H GLN A 81 15.005 -5.084 3.198 1.00 0.00 H new ATOM 0 HA GLN A 81 15.127 -2.434 4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.521 -3.076 4.644 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.235 -4.056 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.549 -5.768 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.717 -5.506 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.537 -4.016 4.755 1.00 0.00 H new ATOM 0 HE22 GLN A 81 20.536 -4.061 3.298 1.00 0.00 H new ATOM 1105 N GLU A 82 16.881 -3.063 1.310 1.00 0.00 N ATOM 1106 CA GLU A 82 17.588 -2.443 0.197 1.00 0.00 C ATOM 1107 C GLU A 82 16.642 -1.556 -0.589 1.00 0.00 C ATOM 1108 O GLU A 82 17.027 -0.498 -1.087 1.00 0.00 O ATOM 1109 CB GLU A 82 18.189 -3.516 -0.716 1.00 0.00 C ATOM 1110 CG GLU A 82 19.695 -3.397 -0.886 1.00 0.00 C ATOM 1111 CD GLU A 82 20.120 -3.385 -2.342 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.124 -4.465 -2.969 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.448 -2.293 -2.854 1.00 0.00 O ATOM 0 H GLU A 82 16.728 -4.066 1.205 1.00 0.00 H new ATOM 0 HA GLU A 82 18.398 -1.831 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.954 -4.500 -0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.715 -3.454 -1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.040 -2.483 -0.403 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.181 -4.229 -0.377 1.00 0.00 H new ATOM 1120 N ALA A 83 15.396 -2.001 -0.695 1.00 0.00 N ATOM 1121 CA ALA A 83 14.385 -1.256 -1.419 1.00 0.00 C ATOM 1122 C ALA A 83 14.024 0.024 -0.679 1.00 0.00 C ATOM 1123 O ALA A 83 14.044 1.112 -1.255 1.00 0.00 O ATOM 1124 CB ALA A 83 13.154 -2.115 -1.641 1.00 0.00 C ATOM 0 H ALA A 83 15.066 -2.875 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 83 14.792 -0.979 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.404 -1.542 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.426 -2.998 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.747 -2.423 -0.678 1.00 0.00 H new ATOM 1130 N MET A 84 13.712 -0.110 0.605 1.00 0.00 N ATOM 1131 CA MET A 84 13.367 1.043 1.425 1.00 0.00 C ATOM 1132 C MET A 84 14.536 2.017 1.463 1.00 0.00 C ATOM 1133 O MET A 84 14.349 3.226 1.585 1.00 0.00 O ATOM 1134 CB MET A 84 12.986 0.615 2.839 1.00 0.00 C ATOM 1135 CG MET A 84 14.050 -0.207 3.542 1.00 0.00 C ATOM 1136 SD MET A 84 13.558 -0.700 5.205 1.00 0.00 S ATOM 1137 CE MET A 84 11.822 -1.064 4.948 1.00 0.00 C ATOM 0 H MET A 84 13.691 -1.003 1.098 1.00 0.00 H new ATOM 0 HA MET A 84 12.503 1.537 0.980 1.00 0.00 H new ATOM 0 HB2 MET A 84 12.777 1.505 3.433 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.063 0.036 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.265 -1.098 2.952 1.00 0.00 H new ATOM 0 HG3 MET A 84 14.973 0.370 3.596 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.338 -1.228 5.911 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.345 -0.225 4.441 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.725 -1.960 4.336 1.00 0.00 H new ATOM 1147 N GLU A 85 15.747 1.481 1.330 1.00 0.00 N ATOM 1148 CA GLU A 85 16.945 2.305 1.318 1.00 0.00 C ATOM 1149 C GLU A 85 17.111 2.932 -0.064 1.00 0.00 C ATOM 1150 O GLU A 85 17.617 4.045 -0.202 1.00 0.00 O ATOM 1151 CB GLU A 85 18.177 1.462 1.675 1.00 0.00 C ATOM 1152 CG GLU A 85 19.500 2.081 1.247 1.00 0.00 C ATOM 1153 CD GLU A 85 20.548 2.034 2.341 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.178 2.176 3.525 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.740 1.853 2.014 1.00 0.00 O ATOM 0 H GLU A 85 15.921 0.481 1.229 1.00 0.00 H new ATOM 0 HA GLU A 85 16.847 3.095 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.195 1.303 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.080 0.481 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.874 1.557 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.334 3.117 0.953 1.00 0.00 H new ATOM 1162 N THR A 86 16.665 2.201 -1.080 1.00 0.00 N ATOM 1163 CA THR A 86 16.743 2.666 -2.457 1.00 0.00 C ATOM 1164 C THR A 86 15.767 3.816 -2.683 1.00 0.00 C ATOM 1165 O THR A 86 16.064 4.759 -3.413 1.00 0.00 O ATOM 1166 CB THR A 86 16.444 1.505 -3.416 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.589 0.686 -3.577 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.999 1.943 -4.795 1.00 0.00 C ATOM 0 H THR A 86 16.243 1.278 -0.973 1.00 0.00 H new ATOM 0 HA THR A 86 17.751 3.031 -2.654 1.00 0.00 H new ATOM 0 HB THR A 86 15.621 0.962 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.684 0.099 -2.798 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.808 1.065 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.087 2.534 -4.712 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.782 2.546 -5.255 1.00 0.00 H new ATOM 1176 N LEU A 87 14.609 3.748 -2.031 1.00 0.00 N ATOM 1177 CA LEU A 87 13.616 4.805 -2.150 1.00 0.00 C ATOM 1178 C LEU A 87 14.033 5.980 -1.283 1.00 0.00 C ATOM 1179 O LEU A 87 13.812 7.137 -1.631 1.00 0.00 O ATOM 1180 CB LEU A 87 12.223 4.306 -1.752 1.00 0.00 C ATOM 1181 CG LEU A 87 12.099 3.761 -0.329 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.057 4.900 0.682 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.859 2.890 -0.204 1.00 0.00 C ATOM 0 H LEU A 87 14.339 2.977 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 87 13.561 5.123 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.515 5.126 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.924 3.523 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 87 12.976 3.150 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.969 4.490 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.973 5.486 0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.199 5.540 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.783 2.509 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.974 3.482 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.930 2.054 -0.900 1.00 0.00 H new ATOM 1195 N ARG A 88 14.658 5.655 -0.157 1.00 0.00 N ATOM 1196 CA ARG A 88 15.145 6.654 0.779 1.00 0.00 C ATOM 1197 C ARG A 88 16.110 7.606 0.083 1.00 0.00 C ATOM 1198 O ARG A 88 15.973 8.825 0.170 1.00 0.00 O ATOM 1199 CB ARG A 88 15.847 5.958 1.944 1.00 0.00 C ATOM 1200 CG ARG A 88 15.296 6.337 3.305 1.00 0.00 C ATOM 1201 CD ARG A 88 16.273 5.995 4.419 1.00 0.00 C ATOM 1202 NE ARG A 88 16.376 7.065 5.408 1.00 0.00 N ATOM 1203 CZ ARG A 88 16.865 6.897 6.634 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.291 5.702 7.028 1.00 0.00 N ATOM 1205 NH2 ARG A 88 16.925 7.923 7.471 1.00 0.00 N ATOM 0 H ARG A 88 14.840 4.693 0.130 1.00 0.00 H new ATOM 0 HA ARG A 88 14.301 7.231 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.761 4.879 1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.909 6.199 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.079 7.405 3.326 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.353 5.817 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 88 15.953 5.077 4.911 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.257 5.802 3.991 1.00 0.00 H new ATOM 0 HE ARG A 88 16.054 7.996 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.244 4.908 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.665 5.579 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 88 16.596 8.842 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.300 7.793 8.411 1.00 0.00 H new ATOM 1219 N ARG A 89 17.086 7.033 -0.610 1.00 0.00 N ATOM 1220 CA ARG A 89 18.075 7.818 -1.330 1.00 0.00 C ATOM 1221 C ARG A 89 17.443 8.455 -2.568 1.00 0.00 C ATOM 1222 O ARG A 89 17.742 9.595 -2.916 1.00 0.00 O ATOM 1223 CB ARG A 89 19.284 6.933 -1.694 1.00 0.00 C ATOM 1224 CG ARG A 89 19.487 6.679 -3.184 1.00 0.00 C ATOM 1225 CD ARG A 89 18.695 5.470 -3.651 1.00 0.00 C ATOM 1226 NE ARG A 89 19.468 4.623 -4.557 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.604 4.858 -5.860 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.029 5.918 -6.416 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.320 4.032 -6.610 1.00 0.00 N ATOM 0 H ARG A 89 17.212 6.024 -0.687 1.00 0.00 H new ATOM 0 HA ARG A 89 18.434 8.626 -0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.186 7.399 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.173 5.972 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.180 7.558 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.546 6.523 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.384 4.885 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.787 5.804 -4.154 1.00 0.00 H new ATOM 0 HE ARG A 89 19.931 3.802 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.479 6.559 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.138 6.092 -7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.766 3.217 -6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.425 4.211 -7.609 1.00 0.00 H new ATOM 1243 N SER A 90 16.559 7.710 -3.222 1.00 0.00 N ATOM 1244 CA SER A 90 15.878 8.199 -4.414 1.00 0.00 C ATOM 1245 C SER A 90 14.929 9.342 -4.069 1.00 0.00 C ATOM 1246 O SER A 90 14.667 10.216 -4.895 1.00 0.00 O ATOM 1247 CB SER A 90 15.107 7.065 -5.093 1.00 0.00 C ATOM 1248 OG SER A 90 15.981 6.030 -5.507 1.00 0.00 O ATOM 0 H SER A 90 16.297 6.764 -2.946 1.00 0.00 H new ATOM 0 HA SER A 90 16.634 8.575 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.363 6.664 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.566 7.455 -5.955 1.00 0.00 H new ATOM 0 HG SER A 90 15.920 5.280 -4.880 1.00 0.00 H new ATOM 1254 N MET A 91 14.408 9.326 -2.845 1.00 0.00 N ATOM 1255 CA MET A 91 13.480 10.357 -2.393 1.00 0.00 C ATOM 1256 C MET A 91 14.214 11.548 -1.783 1.00 0.00 C ATOM 1257 O MET A 91 13.713 12.671 -1.806 1.00 0.00 O ATOM 1258 CB MET A 91 12.495 9.772 -1.378 1.00 0.00 C ATOM 1259 CG MET A 91 13.102 9.481 -0.013 1.00 0.00 C ATOM 1260 SD MET A 91 11.868 8.997 1.211 1.00 0.00 S ATOM 1261 CE MET A 91 10.617 8.256 0.163 1.00 0.00 C ATOM 0 H MET A 91 14.613 8.610 -2.148 1.00 0.00 H new ATOM 0 HA MET A 91 12.932 10.714 -3.265 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.665 10.467 -1.253 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.080 8.849 -1.782 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.841 8.686 -0.111 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.631 10.366 0.341 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.847 7.798 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.167 9.025 -0.465 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.075 7.494 -0.468 1.00 0.00 H new ATOM 1271 N SER A 92 15.393 11.296 -1.222 1.00 0.00 N ATOM 1272 CA SER A 92 16.177 12.352 -0.589 1.00 0.00 C ATOM 1273 C SER A 92 17.444 12.680 -1.377 1.00 0.00 C ATOM 1274 O SER A 92 18.429 13.146 -0.806 1.00 0.00 O ATOM 1275 CB SER A 92 16.547 11.943 0.838 1.00 0.00 C ATOM 1276 OG SER A 92 15.678 12.540 1.783 1.00 0.00 O ATOM 0 H SER A 92 15.826 10.373 -1.193 1.00 0.00 H new ATOM 0 HA SER A 92 15.559 13.250 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.501 10.858 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.575 12.237 1.049 1.00 0.00 H new ATOM 0 HG SER A 92 15.936 12.261 2.686 1.00 0.00 H new ATOM 1282 N THR A 93 17.424 12.440 -2.685 1.00 0.00 N ATOM 1283 CA THR A 93 18.590 12.722 -3.516 1.00 0.00 C ATOM 1284 C THR A 93 18.209 12.943 -4.981 1.00 0.00 C ATOM 1285 O THR A 93 18.853 13.722 -5.682 1.00 0.00 O ATOM 1286 CB THR A 93 19.610 11.585 -3.380 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.902 12.103 -3.122 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.713 10.687 -4.596 1.00 0.00 C ATOM 0 H THR A 93 16.624 12.056 -3.187 1.00 0.00 H new ATOM 0 HA THR A 93 19.040 13.650 -3.164 1.00 0.00 H new ATOM 0 HB THR A 93 19.241 10.983 -2.550 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.540 11.364 -3.036 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.457 9.911 -4.413 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.745 10.224 -4.789 1.00 0.00 H new ATOM 0 HG23 THR A 93 20.011 11.279 -5.461 1.00 0.00 H new ATOM 1296 N GLU A 94 17.176 12.250 -5.446 1.00 0.00 N ATOM 1297 CA GLU A 94 16.734 12.380 -6.831 1.00 0.00 C ATOM 1298 C GLU A 94 15.332 12.970 -6.907 1.00 0.00 C ATOM 1299 O GLU A 94 15.024 13.750 -7.808 1.00 0.00 O ATOM 1300 CB GLU A 94 16.768 11.023 -7.530 1.00 0.00 C ATOM 1301 CG GLU A 94 18.010 10.214 -7.208 1.00 0.00 C ATOM 1302 CD GLU A 94 18.439 9.318 -8.354 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.567 8.915 -9.150 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.648 9.021 -8.453 1.00 0.00 O ATOM 0 H GLU A 94 16.630 11.594 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 94 17.419 13.059 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.886 10.451 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.711 11.176 -8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.826 10.892 -6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.822 9.603 -6.325 1.00 0.00 H new ATOM 1311 N GLY A 95 14.488 12.594 -5.957 1.00 0.00 N ATOM 1312 CA GLY A 95 13.129 13.099 -5.930 1.00 0.00 C ATOM 1313 C GLY A 95 13.054 14.483 -5.326 1.00 0.00 C ATOM 1314 O GLY A 95 12.216 15.296 -5.711 1.00 0.00 O ATOM 0 H GLY A 95 14.720 11.947 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.731 13.123 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.500 12.418 -5.357 1.00 0.00 H new ATOM 1318 N ASN A 96 13.945 14.749 -4.377 1.00 0.00 N ATOM 1319 CA ASN A 96 13.995 16.043 -3.716 1.00 0.00 C ATOM 1320 C ASN A 96 14.654 17.073 -4.629 1.00 0.00 C ATOM 1321 O ASN A 96 14.283 18.247 -4.626 1.00 0.00 O ATOM 1322 CB ASN A 96 14.754 15.917 -2.387 1.00 0.00 C ATOM 1323 CG ASN A 96 15.354 17.228 -1.912 1.00 0.00 C ATOM 1324 OD1 ASN A 96 14.627 18.318 -2.115 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 16.459 17.259 -1.370 1.00 0.00 N flip ATOM 0 H ASN A 96 14.643 14.082 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 96 12.981 16.381 -3.503 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.075 15.538 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.550 15.181 -2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 96 16.985 16.396 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 96 16.849 18.148 -1.057 1.00 0.00 H new ATOM 1332 N LYS A 97 15.628 16.618 -5.412 1.00 0.00 N ATOM 1333 CA LYS A 97 16.348 17.488 -6.341 1.00 0.00 C ATOM 1334 C LYS A 97 15.399 18.442 -7.063 1.00 0.00 C ATOM 1335 O LYS A 97 15.766 19.572 -7.386 1.00 0.00 O ATOM 1336 CB LYS A 97 17.114 16.651 -7.349 1.00 0.00 C ATOM 1337 CG LYS A 97 18.488 16.265 -6.850 1.00 0.00 C ATOM 1338 CD LYS A 97 19.199 15.370 -7.838 1.00 0.00 C ATOM 1339 CE LYS A 97 19.478 16.102 -9.137 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.280 15.276 -10.081 1.00 0.00 N ATOM 0 H LYS A 97 15.939 15.647 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 97 17.050 18.089 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.546 15.749 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.212 17.208 -8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.081 17.164 -6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.399 15.754 -5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 97 20.136 15.019 -7.406 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.590 14.488 -8.038 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.534 16.377 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.010 17.029 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.448 15.813 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.191 15.034 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.761 14.403 -10.305 1.00 0.00 H new ATOM 1354 N ARG A 98 14.178 17.979 -7.306 1.00 0.00 N ATOM 1355 CA ARG A 98 13.172 18.788 -7.977 1.00 0.00 C ATOM 1356 C ARG A 98 12.117 19.274 -6.988 1.00 0.00 C ATOM 1357 O ARG A 98 11.469 20.296 -7.209 1.00 0.00 O ATOM 1358 CB ARG A 98 12.509 17.991 -9.100 1.00 0.00 C ATOM 1359 CG ARG A 98 11.959 16.651 -8.644 1.00 0.00 C ATOM 1360 CD ARG A 98 12.666 15.491 -9.328 1.00 0.00 C ATOM 1361 NE ARG A 98 11.728 14.466 -9.776 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.080 13.216 -10.069 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.345 12.832 -9.961 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.162 12.347 -10.473 1.00 0.00 N ATOM 0 H ARG A 98 13.862 17.044 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 98 13.669 19.658 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.698 18.582 -9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.235 17.826 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.072 16.560 -7.564 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.891 16.604 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.231 15.864 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.385 15.048 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 98 10.745 14.723 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.055 13.496 -9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.608 11.873 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.188 12.637 -10.559 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.431 11.389 -10.698 1.00 0.00 H new ATOM 1378 N GLY A 99 11.953 18.532 -5.894 1.00 0.00 N ATOM 1379 CA GLY A 99 10.977 18.903 -4.886 1.00 0.00 C ATOM 1380 C GLY A 99 9.941 17.819 -4.643 1.00 0.00 C ATOM 1381 O GLY A 99 9.130 17.930 -3.725 1.00 0.00 O ATOM 0 H GLY A 99 12.479 17.682 -5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.493 19.123 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.473 19.819 -5.195 1.00 0.00 H new ATOM 1385 N MET A 100 9.965 16.776 -5.469 1.00 0.00 N ATOM 1386 CA MET A 100 9.020 15.674 -5.338 1.00 0.00 C ATOM 1387 C MET A 100 9.572 14.405 -5.977 1.00 0.00 C ATOM 1388 O MET A 100 10.266 14.459 -6.993 1.00 0.00 O ATOM 1389 CB MET A 100 7.692 16.042 -5.990 1.00 0.00 C ATOM 1390 CG MET A 100 7.807 16.298 -7.482 1.00 0.00 C ATOM 1391 SD MET A 100 6.737 15.236 -8.465 1.00 0.00 S ATOM 1392 CE MET A 100 7.716 13.737 -8.519 1.00 0.00 C ATOM 0 H MET A 100 10.629 16.672 -6.236 1.00 0.00 H new ATOM 0 HA MET A 100 8.862 15.487 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.976 15.237 -5.820 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.291 16.932 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.561 17.340 -7.686 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.841 16.148 -7.792 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.342 13.087 -9.310 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.757 13.990 -8.719 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.645 13.221 -7.561 1.00 0.00 H new ATOM 1402 N ILE A 101 9.263 13.266 -5.372 1.00 0.00 N ATOM 1403 CA ILE A 101 9.729 11.983 -5.872 1.00 0.00 C ATOM 1404 C ILE A 101 8.590 11.180 -6.492 1.00 0.00 C ATOM 1405 O ILE A 101 7.463 11.196 -5.996 1.00 0.00 O ATOM 1406 CB ILE A 101 10.401 11.150 -4.749 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.673 9.819 -4.529 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.463 11.940 -3.449 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.267 8.981 -3.422 1.00 0.00 C ATOM 0 H ILE A 101 8.689 13.206 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 101 10.469 12.194 -6.644 1.00 0.00 H new ATOM 0 HB ILE A 101 11.419 10.930 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.627 10.020 -4.299 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.691 9.247 -5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.938 11.334 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.042 12.850 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.453 12.202 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.701 8.055 -3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.305 8.749 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.224 9.534 -2.484 1.00 0.00 H new ATOM 1421 N GLN A 102 8.901 10.453 -7.560 1.00 0.00 N ATOM 1422 CA GLN A 102 7.914 9.617 -8.222 1.00 0.00 C ATOM 1423 C GLN A 102 7.705 8.353 -7.397 1.00 0.00 C ATOM 1424 O GLN A 102 8.652 7.828 -6.814 1.00 0.00 O ATOM 1425 CB GLN A 102 8.377 9.262 -9.636 1.00 0.00 C ATOM 1426 CG GLN A 102 7.280 8.680 -10.514 1.00 0.00 C ATOM 1427 CD GLN A 102 6.834 7.304 -10.061 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.639 7.028 -9.958 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.796 6.430 -9.787 1.00 0.00 N ATOM 0 H GLN A 102 9.829 10.428 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 102 6.972 10.159 -8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.775 10.158 -10.113 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.196 8.545 -9.571 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.423 9.354 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.637 8.621 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.774 6.701 -9.886 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.556 5.488 -9.478 1.00 0.00 H new ATOM 1438 N LEU A 103 6.470 7.879 -7.321 1.00 0.00 N ATOM 1439 CA LEU A 103 6.179 6.692 -6.532 1.00 0.00 C ATOM 1440 C LEU A 103 5.222 5.748 -7.248 1.00 0.00 C ATOM 1441 O LEU A 103 4.318 6.180 -7.961 1.00 0.00 O ATOM 1442 CB LEU A 103 5.580 7.095 -5.182 1.00 0.00 C ATOM 1443 CG LEU A 103 6.549 7.047 -4.001 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.301 8.215 -3.064 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.414 5.726 -3.262 1.00 0.00 C ATOM 0 H LEU A 103 5.663 8.292 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 103 7.121 6.164 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.184 8.107 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.736 6.439 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 103 7.567 7.126 -4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.999 8.166 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.446 9.151 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.280 8.168 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.110 5.705 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.395 5.619 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.640 4.904 -3.941 1.00 0.00 H new ATOM 1457 N ILE A 104 5.426 4.457 -7.027 1.00 0.00 N ATOM 1458 CA ILE A 104 4.584 3.426 -7.615 1.00 0.00 C ATOM 1459 C ILE A 104 4.315 2.339 -6.581 1.00 0.00 C ATOM 1460 O ILE A 104 5.229 1.624 -6.168 1.00 0.00 O ATOM 1461 CB ILE A 104 5.235 2.798 -8.867 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.498 3.873 -9.925 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.353 1.693 -9.438 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.658 3.550 -10.841 1.00 0.00 C ATOM 0 H ILE A 104 6.176 4.096 -6.438 1.00 0.00 H new ATOM 0 HA ILE A 104 3.649 3.893 -7.924 1.00 0.00 H new ATOM 0 HB ILE A 104 6.187 2.356 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.598 4.008 -10.525 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.693 4.822 -9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.831 1.265 -10.319 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.212 0.915 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.384 2.108 -9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.786 4.355 -11.564 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.569 3.444 -10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.457 2.617 -11.368 1.00 0.00 H new ATOM 1476 N VAL A 105 3.062 2.226 -6.152 1.00 0.00 N ATOM 1477 CA VAL A 105 2.688 1.235 -5.152 1.00 0.00 C ATOM 1478 C VAL A 105 1.445 0.460 -5.569 1.00 0.00 C ATOM 1479 O VAL A 105 0.579 0.985 -6.263 1.00 0.00 O ATOM 1480 CB VAL A 105 2.419 1.892 -3.784 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.685 2.529 -3.235 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.301 2.918 -3.895 1.00 0.00 C ATOM 0 H VAL A 105 2.291 2.807 -6.481 1.00 0.00 H new ATOM 0 HA VAL A 105 3.531 0.549 -5.069 1.00 0.00 H new ATOM 0 HB VAL A 105 2.102 1.116 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.472 2.987 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.453 1.765 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.038 3.292 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.125 3.371 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.586 3.691 -4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.390 2.427 -4.237 1.00 0.00 H new ATOM 1492 N ALA A 106 1.358 -0.788 -5.125 1.00 0.00 N ATOM 1493 CA ALA A 106 0.213 -1.630 -5.438 1.00 0.00 C ATOM 1494 C ALA A 106 -0.569 -1.967 -4.174 1.00 0.00 C ATOM 1495 O ALA A 106 0.004 -2.408 -3.178 1.00 0.00 O ATOM 1496 CB ALA A 106 0.665 -2.897 -6.147 1.00 0.00 C ATOM 0 H ALA A 106 2.068 -1.238 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.448 -1.079 -6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.203 -3.516 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.175 -2.633 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.347 -3.451 -5.502 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.879 -1.748 -4.218 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.734 -2.020 -3.069 1.00 0.00 C ATOM 1504 C ARG A 107 -3.936 -2.867 -3.474 1.00 0.00 C ATOM 1505 O ARG A 107 -4.485 -2.706 -4.565 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.201 -0.702 -2.438 1.00 0.00 C ATOM 1507 CG ARG A 107 -4.311 -0.865 -1.410 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.620 -0.258 -1.894 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.944 0.979 -1.188 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.805 1.889 -1.641 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.430 1.705 -2.797 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.043 2.986 -0.935 1.00 0.00 N ATOM 0 H ARG A 107 -2.370 -1.384 -5.034 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.156 -2.581 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.348 -0.217 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -3.547 -0.036 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.458 -1.924 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -4.014 -0.390 -0.475 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.553 -0.058 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.427 -0.977 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.484 1.157 -0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.252 0.863 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.088 2.406 -3.138 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.567 3.133 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.702 3.683 -1.282 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.341 -3.769 -2.586 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.478 -4.641 -2.846 1.00 0.00 C ATOM 1528 C ARG A 108 -6.787 -3.960 -2.462 1.00 0.00 C ATOM 1529 O ARG A 108 -6.829 -3.158 -1.529 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.327 -5.951 -2.072 1.00 0.00 C ATOM 1531 CG ARG A 108 -4.522 -7.008 -2.811 1.00 0.00 C ATOM 1532 CD ARG A 108 -4.878 -8.406 -2.337 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.539 -8.609 -0.930 1.00 0.00 N ATOM 1534 CZ ARG A 108 -3.342 -9.005 -0.502 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -2.360 -9.235 -1.366 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.124 -9.171 0.796 1.00 0.00 N ATOM 0 H ARG A 108 -3.897 -3.914 -1.679 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.502 -4.856 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.847 -5.744 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.318 -6.349 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.708 -6.927 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.458 -6.830 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.945 -8.577 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.352 -9.141 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.264 -8.437 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.520 -9.108 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.446 -9.538 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.873 -8.995 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.207 -9.474 1.124 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.852 -4.287 -3.185 1.00 0.00 N ATOM 1551 CA ILE A 109 -9.163 -3.708 -2.917 1.00 0.00 C ATOM 1552 C ILE A 109 -9.772 -4.292 -1.648 1.00 0.00 C ATOM 1553 O ILE A 109 -10.181 -5.454 -1.622 1.00 0.00 O ATOM 1554 CB ILE A 109 -10.129 -3.938 -4.096 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -9.490 -3.469 -5.405 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -11.444 -3.214 -3.853 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -10.170 -4.018 -6.639 1.00 0.00 C ATOM 0 H ILE A 109 -7.833 -4.949 -3.961 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.016 -2.636 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.335 -5.005 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.513 -2.380 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.441 -3.766 -5.415 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -12.115 -3.386 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.903 -3.591 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.257 -2.145 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.665 -3.644 -7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.124 -5.107 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.212 -3.699 -6.652 1.00 0.00 H new ATOM 1569 N SER A 110 -9.830 -3.480 -0.599 1.00 0.00 N ATOM 1570 CA SER A 110 -10.390 -3.917 0.676 1.00 0.00 C ATOM 1571 C SER A 110 -10.887 -2.725 1.487 1.00 0.00 C ATOM 1572 O SER A 110 -10.140 -2.140 2.271 1.00 0.00 O ATOM 1573 CB SER A 110 -9.345 -4.693 1.477 1.00 0.00 C ATOM 1574 OG SER A 110 -9.418 -6.082 1.201 1.00 0.00 O ATOM 0 H SER A 110 -9.497 -2.516 -0.605 1.00 0.00 H new ATOM 0 HA SER A 110 -11.236 -4.571 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.349 -4.323 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.499 -4.522 2.543 1.00 0.00 H new ATOM 0 HG SER A 110 -9.688 -6.216 0.269 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 3.136 -13.060 6.102 1.00 0.00 N ATOM 1582 CA ASP B 3 3.891 -14.255 6.457 1.00 0.00 C ATOM 1583 C ASP B 3 5.368 -13.927 6.655 1.00 0.00 C ATOM 1584 O ASP B 3 6.229 -14.424 5.929 1.00 0.00 O ATOM 1585 CB ASP B 3 3.729 -15.327 5.377 1.00 0.00 C ATOM 1586 CG ASP B 3 2.614 -16.306 5.696 1.00 0.00 C ATOM 1587 OD1 ASP B 3 2.878 -17.290 6.417 1.00 0.00 O ATOM 1588 OD2 ASP B 3 1.479 -16.087 5.223 1.00 0.00 O ATOM 0 HA ASP B 3 3.496 -14.639 7.398 1.00 0.00 H new ATOM 0 HB2 ASP B 3 3.524 -14.847 4.420 1.00 0.00 H new ATOM 0 HB3 ASP B 3 4.667 -15.872 5.266 1.00 0.00 H new ATOM 1593 N GLU B 4 5.653 -13.087 7.644 1.00 0.00 N ATOM 1594 CA GLU B 4 7.025 -12.689 7.942 1.00 0.00 C ATOM 1595 C GLU B 4 7.702 -13.711 8.849 1.00 0.00 C ATOM 1596 O GLU B 4 7.052 -14.614 9.376 1.00 0.00 O ATOM 1597 CB GLU B 4 7.045 -11.311 8.605 1.00 0.00 C ATOM 1598 CG GLU B 4 6.164 -11.217 9.839 1.00 0.00 C ATOM 1599 CD GLU B 4 6.498 -10.017 10.704 1.00 0.00 C ATOM 1600 OE1 GLU B 4 5.995 -8.913 10.407 1.00 0.00 O ATOM 1601 OE2 GLU B 4 7.261 -10.181 11.678 1.00 0.00 O ATOM 0 H GLU B 4 4.951 -12.668 8.254 1.00 0.00 H new ATOM 0 HA GLU B 4 7.576 -12.641 7.003 1.00 0.00 H new ATOM 0 HB2 GLU B 4 8.070 -11.065 8.881 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.722 -10.564 7.880 1.00 0.00 H new ATOM 0 HG2 GLU B 4 5.120 -11.159 9.532 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.273 -12.127 10.429 1.00 0.00 H new ATOM 1608 N ASP B 5 9.012 -13.563 9.029 1.00 0.00 N ATOM 1609 CA ASP B 5 9.775 -14.478 9.874 1.00 0.00 C ATOM 1610 C ASP B 5 9.906 -13.935 11.295 1.00 0.00 C ATOM 1611 O ASP B 5 10.834 -14.295 12.019 1.00 0.00 O ATOM 1612 CB ASP B 5 11.169 -14.714 9.292 1.00 0.00 C ATOM 1613 CG ASP B 5 11.145 -14.966 7.797 1.00 0.00 C ATOM 1614 OD1 ASP B 5 10.577 -15.994 7.374 1.00 0.00 O ATOM 1615 OD2 ASP B 5 11.699 -14.133 7.048 1.00 0.00 O ATOM 0 H ASP B 5 9.566 -12.820 8.602 1.00 0.00 H new ATOM 0 HA ASP B 5 9.233 -15.423 9.907 1.00 0.00 H new ATOM 0 HB2 ASP B 5 11.796 -13.847 9.500 1.00 0.00 H new ATOM 0 HB3 ASP B 5 11.627 -15.567 9.793 1.00 0.00 H new ATOM 1620 N GLN B 6 8.978 -13.071 11.692 1.00 0.00 N ATOM 1621 CA GLN B 6 9.005 -12.489 13.026 1.00 0.00 C ATOM 1622 C GLN B 6 10.301 -11.717 13.259 1.00 0.00 C ATOM 1623 O GLN B 6 10.777 -11.609 14.389 1.00 0.00 O ATOM 1624 CB GLN B 6 8.856 -13.585 14.081 1.00 0.00 C ATOM 1625 CG GLN B 6 8.580 -13.052 15.477 1.00 0.00 C ATOM 1626 CD GLN B 6 7.113 -13.133 15.850 1.00 0.00 C ATOM 1627 OE1 GLN B 6 6.240 -12.828 14.895 1.00 0.00 O flip ATOM 1628 NE2 GLN B 6 6.766 -13.465 16.982 1.00 0.00 N flip ATOM 0 H GLN B 6 8.200 -12.760 11.110 1.00 0.00 H new ATOM 0 HA GLN B 6 8.170 -11.793 13.110 1.00 0.00 H new ATOM 0 HB2 GLN B 6 8.044 -14.251 13.789 1.00 0.00 H new ATOM 0 HB3 GLN B 6 9.767 -14.183 14.103 1.00 0.00 H new ATOM 0 HG2 GLN B 6 9.167 -13.617 16.201 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.910 -12.015 15.538 1.00 0.00 H new ATOM 0 HE21 GLN B 6 7.469 -13.691 17.685 1.00 0.00 H new ATOM 0 HE22 GLN B 6 5.775 -13.514 17.218 1.00 0.00 H new ATOM 1637 N HIS B 7 10.869 -11.185 12.181 1.00 0.00 N ATOM 1638 CA HIS B 7 12.110 -10.425 12.268 1.00 0.00 C ATOM 1639 C HIS B 7 12.064 -9.205 11.354 1.00 0.00 C ATOM 1640 O HIS B 7 13.091 -8.765 10.837 1.00 0.00 O ATOM 1641 CB HIS B 7 13.300 -11.310 11.894 1.00 0.00 C ATOM 1642 CG HIS B 7 13.887 -12.049 13.057 1.00 0.00 C ATOM 1643 ND1 HIS B 7 14.047 -11.484 14.305 1.00 0.00 N ATOM 1644 CD2 HIS B 7 14.351 -13.317 13.157 1.00 0.00 C ATOM 1645 CE1 HIS B 7 14.586 -12.371 15.121 1.00 0.00 C ATOM 1646 NE2 HIS B 7 14.781 -13.491 14.451 1.00 0.00 N ATOM 0 H HIS B 7 10.489 -11.266 11.238 1.00 0.00 H new ATOM 0 HA HIS B 7 12.228 -10.084 13.296 1.00 0.00 H new ATOM 0 HB2 HIS B 7 12.984 -12.030 11.139 1.00 0.00 H new ATOM 0 HB3 HIS B 7 14.074 -10.691 11.440 1.00 0.00 H new ATOM 0 HD2 HIS B 7 14.378 -14.054 12.368 1.00 0.00 H new ATOM 0 HE1 HIS B 7 14.827 -12.208 16.161 1.00 0.00 H new ATOM 0 HE2 HIS B 7 15.185 -14.347 14.831 1.00 0.00 H new ATOM 1655 N SER B 8 10.867 -8.662 11.159 1.00 0.00 N ATOM 1656 CA SER B 8 10.689 -7.493 10.306 1.00 0.00 C ATOM 1657 C SER B 8 11.392 -6.275 10.898 1.00 0.00 C ATOM 1658 O SER B 8 12.213 -6.399 11.805 1.00 0.00 O ATOM 1659 CB SER B 8 9.198 -7.198 10.114 1.00 0.00 C ATOM 1660 OG SER B 8 8.906 -6.920 8.756 1.00 0.00 O ATOM 0 H SER B 8 10.006 -9.012 11.580 1.00 0.00 H new ATOM 0 HA SER B 8 11.136 -7.709 9.336 1.00 0.00 H new ATOM 0 HB2 SER B 8 8.609 -8.052 10.449 1.00 0.00 H new ATOM 0 HB3 SER B 8 8.909 -6.349 10.733 1.00 0.00 H new ATOM 0 HG SER B 8 8.387 -7.659 8.375 1.00 0.00 H new ATOM 1666 N GLN B 9 11.063 -5.096 10.376 1.00 0.00 N ATOM 1667 CA GLN B 9 11.657 -3.853 10.846 1.00 0.00 C ATOM 1668 C GLN B 9 11.114 -2.677 10.046 1.00 0.00 C ATOM 1669 O GLN B 9 10.806 -2.812 8.863 1.00 0.00 O ATOM 1670 CB GLN B 9 13.181 -3.904 10.742 1.00 0.00 C ATOM 1671 CG GLN B 9 13.681 -4.605 9.494 1.00 0.00 C ATOM 1672 CD GLN B 9 13.205 -3.937 8.221 1.00 0.00 C ATOM 1673 OE1 GLN B 9 13.284 -2.612 8.182 1.00 0.00 O flip ATOM 1674 NE2 GLN B 9 12.770 -4.604 7.282 1.00 0.00 N flip ATOM 0 H GLN B 9 10.384 -4.978 9.624 1.00 0.00 H new ATOM 0 HA GLN B 9 11.391 -3.722 11.895 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.572 -2.887 10.759 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.580 -4.413 11.619 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.771 -4.624 9.504 1.00 0.00 H new ATOM 0 HG3 GLN B 9 13.344 -5.642 9.504 1.00 0.00 H new ATOM 0 HE21 GLN B 9 12.727 -5.620 7.355 1.00 0.00 H new ATOM 0 HE22 GLN B 9 12.452 -4.140 6.431 1.00 0.00 H new ATOM 1683 N ILE B 10 10.988 -1.528 10.695 1.00 0.00 N ATOM 1684 CA ILE B 10 10.467 -0.343 10.032 1.00 0.00 C ATOM 1685 C ILE B 10 11.568 0.682 9.790 1.00 0.00 C ATOM 1686 O ILE B 10 12.581 0.700 10.490 1.00 0.00 O ATOM 1687 CB ILE B 10 9.337 0.312 10.846 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.643 -0.713 11.747 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.330 0.958 9.908 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.886 -1.777 10.981 1.00 0.00 C ATOM 0 H ILE B 10 11.238 -1.392 11.674 1.00 0.00 H new ATOM 0 HA ILE B 10 10.065 -0.672 9.074 1.00 0.00 H new ATOM 0 HB ILE B 10 9.774 1.080 11.485 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.390 -1.194 12.379 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.952 -0.193 12.410 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.533 1.419 10.491 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.828 1.720 9.308 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.906 0.199 9.251 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.420 -2.468 11.683 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.116 -1.307 10.370 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.576 -2.323 10.338 1.00 0.00 H new ATOM 1702 N THR B 11 11.362 1.531 8.790 1.00 0.00 N ATOM 1703 CA THR B 11 12.335 2.561 8.445 1.00 0.00 C ATOM 1704 C THR B 11 11.636 3.880 8.128 1.00 0.00 C ATOM 1705 O THR B 11 10.881 3.975 7.160 1.00 0.00 O ATOM 1706 CB THR B 11 13.177 2.109 7.250 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.937 0.960 7.578 1.00 0.00 O ATOM 1708 CG2 THR B 11 14.141 3.168 6.757 1.00 0.00 C ATOM 0 H THR B 11 10.528 1.526 8.203 1.00 0.00 H new ATOM 0 HA THR B 11 12.990 2.718 9.302 1.00 0.00 H new ATOM 0 HB THR B 11 12.459 1.898 6.458 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.634 0.202 7.037 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.705 2.780 5.909 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.583 4.052 6.448 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.829 3.435 7.559 1.00 0.00 H new ATOM 1716 N LYS B 12 11.894 4.894 8.946 1.00 0.00 N ATOM 1717 CA LYS B 12 11.290 6.205 8.749 1.00 0.00 C ATOM 1718 C LYS B 12 11.862 6.885 7.510 1.00 0.00 C ATOM 1719 O LYS B 12 13.051 7.206 7.457 1.00 0.00 O ATOM 1720 CB LYS B 12 11.510 7.085 9.981 1.00 0.00 C ATOM 1721 CG LYS B 12 10.331 7.088 10.940 1.00 0.00 C ATOM 1722 CD LYS B 12 10.060 8.479 11.491 1.00 0.00 C ATOM 1723 CE LYS B 12 8.726 8.540 12.218 1.00 0.00 C ATOM 1724 NZ LYS B 12 8.537 9.837 12.924 1.00 0.00 N ATOM 0 H LYS B 12 12.517 4.833 9.751 1.00 0.00 H new ATOM 0 HA LYS B 12 10.219 6.066 8.602 1.00 0.00 H new ATOM 0 HB2 LYS B 12 12.398 6.740 10.510 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.708 8.107 9.658 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.443 6.720 10.426 1.00 0.00 H new ATOM 0 HG3 LYS B 12 10.530 6.402 11.764 1.00 0.00 H new ATOM 0 HD2 LYS B 12 10.861 8.764 12.173 1.00 0.00 H new ATOM 0 HD3 LYS B 12 10.064 9.202 10.675 1.00 0.00 H new ATOM 0 HE2 LYS B 12 7.916 8.394 11.503 1.00 0.00 H new ATOM 0 HE3 LYS B 12 8.667 7.723 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 7.616 9.838 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.295 9.965 13.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 8.568 10.615 12.235 1.00 0.00 H new ATOM 1738 N VAL B 13 11.008 7.101 6.516 1.00 0.00 N ATOM 1739 CA VAL B 13 11.423 7.739 5.274 1.00 0.00 C ATOM 1740 C VAL B 13 10.569 8.968 4.975 1.00 0.00 C ATOM 1741 O VAL B 13 9.897 9.462 5.904 1.00 0.00 O ATOM 1742 CB VAL B 13 11.339 6.760 4.086 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.127 5.493 4.386 1.00 0.00 C ATOM 1744 CG2 VAL B 13 9.891 6.423 3.760 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.576 9.423 3.812 1.00 0.00 O ATOM 0 H VAL B 13 10.022 6.843 6.547 1.00 0.00 H new ATOM 0 HA VAL B 13 12.460 8.048 5.405 1.00 0.00 H new ATOM 0 HB VAL B 13 11.778 7.245 3.214 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.058 4.812 3.538 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.172 5.748 4.563 1.00 0.00 H new ATOM 0 HG13 VAL B 13 11.716 5.011 5.273 1.00 0.00 H new ATOM 0 HG21 VAL B 13 9.859 5.731 2.919 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.421 5.961 4.628 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.355 7.336 3.500 1.00 0.00 H new TER 1755 VAL B 13