USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 917 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 71 THR OG1 : rot -102:sc= 0.232 USER MOD Set 1.2: A 74 GLN : amide:sc= 0.21 K(o=0.44,f=-0.22) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.894 K(o=-0.31,f=-2.6) USER MOD Set 2.2: A 72 HIS : no HE2:sc= 0.583 K(o=-0.31,f=-5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot -161:sc= 0.616 USER MOD Single : A 16 CYS SG : rot 180:sc= -1.39 USER MOD Single : A 19 LYS NZ :NH3+ 144:sc= 0.564 (180deg=0.0814) USER MOD Single : A 22 ASN : amide:sc= -0.299 K(o=-0.3,f=-3.1!) USER MOD Single : A 24 TYR OH : rot 50:sc= -0.029 USER MOD Single : A 27 HIS : no HD1:sc= -0.912! C(o=-0.91!,f=-4.5!) USER MOD Single : A 29 HIS : no HE2:sc= -3.81! C(o=-3.8!,f=-6.2!) USER MOD Single : A 32 LYS NZ :NH3+ 168:sc= -0.0125 (180deg=-0.178) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -82:sc= 0.867 USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= -0.0308 (180deg=-0.266) USER MOD Single : A 63 ASN : amide:sc= 0.881 K(o=0.88,f=-5!) USER MOD Single : A 66 ASN : amide:sc= -2.16 K(o=-2.2,f=-0.19) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00949 K(o=-0.0095,f=-0.83) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 95 THR OG1 : rot 170:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -4.05! K(o=-4!,f=-1.3) USER MOD Single : A 100 GLN : amide:sc= 0.955 K(o=0.95,f=-0.77) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.03) USER MOD Single : A 105 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.88) USER MOD Single : A 114 GLN : amide:sc= 0.467 K(o=0.47,f=-0.93) USER MOD Single : A 119 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -13.798 -24.652 -1.184 1.00 0.00 N ATOM 2 CA GLY A 4 -12.541 -24.676 -0.403 1.00 0.00 C ATOM 3 C GLY A 4 -12.249 -23.331 0.222 1.00 0.00 C ATOM 4 O GLY A 4 -13.053 -22.406 0.114 1.00 0.00 O ATOM 0 HA2 GLY A 4 -12.611 -25.433 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.714 -24.964 -1.052 1.00 0.00 H new ATOM 10 N ILE A 5 -11.105 -23.210 0.872 1.00 0.00 N ATOM 11 CA ILE A 5 -10.710 -21.947 1.467 1.00 0.00 C ATOM 12 C ILE A 5 -9.469 -21.417 0.772 1.00 0.00 C ATOM 13 O ILE A 5 -8.511 -22.153 0.537 1.00 0.00 O ATOM 14 CB ILE A 5 -10.428 -22.072 2.979 1.00 0.00 C ATOM 15 CG1 ILE A 5 -11.619 -22.716 3.699 1.00 0.00 C ATOM 16 CG2 ILE A 5 -10.122 -20.701 3.571 1.00 0.00 C ATOM 17 CD1 ILE A 5 -11.386 -22.953 5.177 1.00 0.00 C ATOM 0 H ILE A 5 -10.436 -23.969 1.001 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.544 -21.257 1.339 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.559 -22.714 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.494 -22.077 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.850 -23.668 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.925 -20.801 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.246 -20.279 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.976 -20.041 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.272 -23.411 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.532 -23.617 5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.186 -22.002 5.671 1.00 0.00 H new ATOM 29 N ASP A 6 -9.495 -20.146 0.440 1.00 0.00 N ATOM 30 CA ASP A 6 -8.385 -19.515 -0.244 1.00 0.00 C ATOM 31 C ASP A 6 -7.592 -18.655 0.717 1.00 0.00 C ATOM 32 O ASP A 6 -8.137 -17.750 1.345 1.00 0.00 O ATOM 33 CB ASP A 6 -8.886 -18.661 -1.401 1.00 0.00 C ATOM 34 CG ASP A 6 -9.238 -19.479 -2.624 1.00 0.00 C ATOM 35 OD1 ASP A 6 -10.337 -20.065 -2.659 1.00 0.00 O ATOM 36 OD2 ASP A 6 -8.410 -19.549 -3.556 1.00 0.00 O ATOM 0 H ASP A 6 -10.279 -19.523 0.634 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.738 -20.299 -0.637 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.764 -18.101 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.121 -17.931 -1.666 1.00 0.00 H new ATOM 41 N PRO A 7 -6.291 -18.933 0.841 1.00 0.00 N ATOM 42 CA PRO A 7 -5.401 -18.177 1.722 1.00 0.00 C ATOM 43 C PRO A 7 -5.068 -16.810 1.142 1.00 0.00 C ATOM 44 O PRO A 7 -4.779 -15.860 1.868 1.00 0.00 O ATOM 45 CB PRO A 7 -4.145 -19.046 1.799 1.00 0.00 C ATOM 46 CG PRO A 7 -4.154 -19.872 0.553 1.00 0.00 C ATOM 47 CD PRO A 7 -5.592 -20.011 0.122 1.00 0.00 C ATOM 0 HA PRO A 7 -5.851 -17.982 2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.246 -18.432 1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.158 -19.677 2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.562 -19.396 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.711 -20.851 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.696 -19.902 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.993 -20.990 0.384 1.00 0.00 H new ATOM 55 N PHE A 8 -5.120 -16.732 -0.177 1.00 0.00 N ATOM 56 CA PHE A 8 -4.822 -15.509 -0.896 1.00 0.00 C ATOM 57 C PHE A 8 -5.635 -15.444 -2.170 1.00 0.00 C ATOM 58 O PHE A 8 -5.977 -16.474 -2.751 1.00 0.00 O ATOM 59 CB PHE A 8 -3.337 -15.427 -1.220 1.00 0.00 C ATOM 60 CG PHE A 8 -2.545 -14.701 -0.176 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.537 -13.316 -0.145 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.822 -15.396 0.775 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.820 -12.637 0.817 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.102 -14.723 1.739 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.103 -13.340 1.760 1.00 0.00 C ATOM 0 H PHE A 8 -5.371 -17.517 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.086 -14.662 -0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.940 -16.436 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -3.208 -14.925 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.099 -12.762 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.821 -16.476 0.763 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.820 -11.557 0.831 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.538 -15.275 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.541 -12.811 2.516 1.00 0.00 H new ATOM 75 N THR A 9 -5.937 -14.232 -2.598 1.00 0.00 N ATOM 76 CA THR A 9 -6.777 -14.025 -3.759 1.00 0.00 C ATOM 77 C THR A 9 -6.794 -12.544 -4.130 1.00 0.00 C ATOM 78 O THR A 9 -7.450 -11.739 -3.481 1.00 0.00 O ATOM 79 CB THR A 9 -8.207 -14.561 -3.497 1.00 0.00 C ATOM 80 OG1 THR A 9 -9.044 -14.329 -4.634 1.00 0.00 O ATOM 81 CG2 THR A 9 -8.830 -13.939 -2.249 1.00 0.00 C ATOM 0 H THR A 9 -5.610 -13.373 -2.155 1.00 0.00 H new ATOM 0 HA THR A 9 -6.367 -14.582 -4.602 1.00 0.00 H new ATOM 0 HB THR A 9 -8.125 -15.634 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.943 -14.674 -4.454 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.832 -14.343 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.214 -14.172 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.889 -12.858 -2.372 1.00 0.00 H new ATOM 89 N MET A 10 -6.027 -12.197 -5.160 1.00 0.00 N ATOM 90 CA MET A 10 -5.806 -10.802 -5.532 1.00 0.00 C ATOM 91 C MET A 10 -4.958 -10.177 -4.443 1.00 0.00 C ATOM 92 O MET A 10 -5.383 -9.293 -3.697 1.00 0.00 O ATOM 93 CB MET A 10 -7.119 -10.029 -5.742 1.00 0.00 C ATOM 94 CG MET A 10 -6.917 -8.592 -6.202 1.00 0.00 C ATOM 95 SD MET A 10 -5.977 -8.482 -7.737 1.00 0.00 S ATOM 96 CE MET A 10 -5.880 -6.706 -7.935 1.00 0.00 C ATOM 0 H MET A 10 -5.544 -12.869 -5.757 1.00 0.00 H new ATOM 0 HA MET A 10 -5.294 -10.756 -6.493 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.726 -10.555 -6.479 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.682 -10.027 -4.809 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.889 -8.119 -6.341 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.399 -8.034 -5.422 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.326 -6.471 -8.844 1.00 0.00 H new ATOM 0 HE2 MET A 10 -6.886 -6.292 -8.006 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.369 -6.271 -7.076 1.00 0.00 H new ATOM 106 N LEU A 11 -3.758 -10.708 -4.346 1.00 0.00 N ATOM 107 CA LEU A 11 -2.850 -10.397 -3.264 1.00 0.00 C ATOM 108 C LEU A 11 -2.142 -9.065 -3.511 1.00 0.00 C ATOM 109 O LEU A 11 -2.068 -8.596 -4.647 1.00 0.00 O ATOM 110 CB LEU A 11 -1.847 -11.546 -3.108 1.00 0.00 C ATOM 111 CG LEU A 11 -0.772 -11.661 -4.194 1.00 0.00 C ATOM 112 CD1 LEU A 11 0.328 -12.601 -3.737 1.00 0.00 C ATOM 113 CD2 LEU A 11 -1.374 -12.159 -5.500 1.00 0.00 C ATOM 0 H LEU A 11 -3.382 -11.373 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.412 -10.290 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.349 -11.437 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.403 -12.483 -3.076 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.349 -10.671 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.088 -12.677 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.781 -12.215 -2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.093 -13.587 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.592 -12.233 -6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.821 -13.141 -5.344 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.140 -11.461 -5.837 1.00 0.00 H new ATOM 125 N PRO A 12 -1.599 -8.449 -2.443 1.00 0.00 N ATOM 126 CA PRO A 12 -1.021 -7.103 -2.512 1.00 0.00 C ATOM 127 C PRO A 12 0.320 -7.066 -3.234 1.00 0.00 C ATOM 128 O PRO A 12 0.953 -8.101 -3.457 1.00 0.00 O ATOM 129 CB PRO A 12 -0.838 -6.728 -1.044 1.00 0.00 C ATOM 130 CG PRO A 12 -0.632 -8.027 -0.352 1.00 0.00 C ATOM 131 CD PRO A 12 -1.484 -9.024 -1.086 1.00 0.00 C ATOM 0 HA PRO A 12 -1.659 -6.421 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.016 -6.065 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.712 -6.205 -0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.418 -8.319 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.923 -7.962 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.020 -10.010 -1.106 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.460 -9.141 -0.616 1.00 0.00 H new ATOM 139 N ARG A 13 0.750 -5.866 -3.587 1.00 0.00 N ATOM 140 CA ARG A 13 2.005 -5.675 -4.290 1.00 0.00 C ATOM 141 C ARG A 13 2.701 -4.409 -3.822 1.00 0.00 C ATOM 142 O ARG A 13 2.050 -3.428 -3.456 1.00 0.00 O ATOM 143 CB ARG A 13 1.768 -5.611 -5.800 1.00 0.00 C ATOM 144 CG ARG A 13 0.626 -4.688 -6.208 1.00 0.00 C ATOM 145 CD ARG A 13 0.517 -4.576 -7.719 1.00 0.00 C ATOM 146 NE ARG A 13 0.654 -5.877 -8.372 1.00 0.00 N ATOM 147 CZ ARG A 13 -0.040 -6.259 -9.439 1.00 0.00 C ATOM 148 NH1 ARG A 13 -0.982 -5.475 -9.946 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.200 -7.445 -9.978 1.00 0.00 N ATOM 0 H ARG A 13 0.242 -5.003 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 13 2.648 -6.527 -4.067 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.684 -5.277 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.559 -6.616 -6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.312 -5.065 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.785 -3.699 -5.779 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.445 -4.137 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.288 -3.900 -8.090 1.00 0.00 H new ATOM 0 HE ARG A 13 1.328 -6.536 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.179 -4.571 -9.517 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.510 -5.776 -10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.911 -8.054 -9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.326 -7.749 -10.797 1.00 0.00 H new ATOM 163 N LEU A 14 4.024 -4.450 -3.805 1.00 0.00 N ATOM 164 CA LEU A 14 4.816 -3.270 -3.511 1.00 0.00 C ATOM 165 C LEU A 14 4.998 -2.463 -4.790 1.00 0.00 C ATOM 166 O LEU A 14 5.684 -2.895 -5.718 1.00 0.00 O ATOM 167 CB LEU A 14 6.177 -3.673 -2.937 1.00 0.00 C ATOM 168 CG LEU A 14 7.082 -2.516 -2.512 1.00 0.00 C ATOM 169 CD1 LEU A 14 6.489 -1.776 -1.321 1.00 0.00 C ATOM 170 CD2 LEU A 14 8.475 -3.029 -2.187 1.00 0.00 C ATOM 0 H LEU A 14 4.571 -5.290 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 14 4.301 -2.661 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.011 -4.317 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.704 -4.268 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 14 7.157 -1.813 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.149 -0.957 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.511 -1.377 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.381 -2.464 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.109 -2.195 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.416 -3.752 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.901 -3.509 -3.068 1.00 0.00 H new ATOM 182 N CYS A 15 4.375 -1.302 -4.834 1.00 0.00 N ATOM 183 CA CYS A 15 4.371 -0.483 -6.028 1.00 0.00 C ATOM 184 C CYS A 15 5.504 0.533 -5.980 1.00 0.00 C ATOM 185 O CYS A 15 5.544 1.402 -5.106 1.00 0.00 O ATOM 186 CB CYS A 15 3.024 0.231 -6.154 1.00 0.00 C ATOM 187 SG CYS A 15 1.598 -0.875 -6.021 1.00 0.00 S ATOM 0 H CYS A 15 3.861 -0.903 -4.049 1.00 0.00 H new ATOM 0 HA CYS A 15 4.521 -1.122 -6.898 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.954 0.994 -5.379 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.984 0.746 -7.114 1.00 0.00 H new ATOM 0 HG CYS A 15 0.548 -0.292 -6.519 1.00 0.00 H new ATOM 193 N CYS A 16 6.437 0.404 -6.906 1.00 0.00 N ATOM 194 CA CYS A 16 7.561 1.315 -6.977 1.00 0.00 C ATOM 195 C CYS A 16 7.358 2.296 -8.122 1.00 0.00 C ATOM 196 O CYS A 16 7.405 1.916 -9.293 1.00 0.00 O ATOM 197 CB CYS A 16 8.859 0.530 -7.172 1.00 0.00 C ATOM 198 SG CYS A 16 9.117 -0.775 -5.945 1.00 0.00 S ATOM 0 H CYS A 16 6.437 -0.325 -7.620 1.00 0.00 H new ATOM 0 HA CYS A 16 7.629 1.874 -6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.857 0.085 -8.167 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.700 1.222 -7.134 1.00 0.00 H new ATOM 0 HG CYS A 16 10.238 -1.386 -6.191 1.00 0.00 H new ATOM 204 N LEU A 17 7.136 3.554 -7.784 1.00 0.00 N ATOM 205 CA LEU A 17 6.866 4.572 -8.786 1.00 0.00 C ATOM 206 C LEU A 17 7.949 5.640 -8.778 1.00 0.00 C ATOM 207 O LEU A 17 8.603 5.869 -7.759 1.00 0.00 O ATOM 208 CB LEU A 17 5.481 5.203 -8.581 1.00 0.00 C ATOM 209 CG LEU A 17 5.104 5.562 -7.142 1.00 0.00 C ATOM 210 CD1 LEU A 17 4.095 6.687 -7.137 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.517 4.358 -6.421 1.00 0.00 C ATOM 0 H LEU A 17 7.137 3.896 -6.823 1.00 0.00 H new ATOM 0 HA LEU A 17 6.871 4.086 -9.762 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.425 6.109 -9.185 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.731 4.514 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 17 6.009 5.878 -6.623 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.833 6.936 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.524 7.563 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.200 6.375 -7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.256 4.637 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.622 4.021 -6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.251 3.552 -6.401 1.00 0.00 H new ATOM 223 N GLU A 18 8.116 6.294 -9.919 1.00 0.00 N ATOM 224 CA GLU A 18 9.228 7.206 -10.142 1.00 0.00 C ATOM 225 C GLU A 18 8.725 8.641 -10.239 1.00 0.00 C ATOM 226 O GLU A 18 7.719 8.913 -10.894 1.00 0.00 O ATOM 227 CB GLU A 18 9.971 6.841 -11.435 1.00 0.00 C ATOM 228 CG GLU A 18 10.310 5.358 -11.583 1.00 0.00 C ATOM 229 CD GLU A 18 9.138 4.516 -12.070 1.00 0.00 C ATOM 230 OE1 GLU A 18 8.117 5.095 -12.501 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.238 3.270 -12.026 1.00 0.00 O ATOM 0 H GLU A 18 7.485 6.207 -10.715 1.00 0.00 H new ATOM 0 HA GLU A 18 9.912 7.119 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.362 7.147 -12.286 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.895 7.417 -11.481 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.140 5.250 -12.281 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.650 4.973 -10.622 1.00 0.00 H new ATOM 238 N LYS A 19 9.432 9.553 -9.588 1.00 0.00 N ATOM 239 CA LYS A 19 9.042 10.955 -9.562 1.00 0.00 C ATOM 240 C LYS A 19 9.163 11.604 -10.933 1.00 0.00 C ATOM 241 O LYS A 19 10.184 11.482 -11.612 1.00 0.00 O ATOM 242 CB LYS A 19 9.885 11.740 -8.553 1.00 0.00 C ATOM 243 CG LYS A 19 9.496 13.208 -8.453 1.00 0.00 C ATOM 244 CD LYS A 19 10.388 13.957 -7.479 1.00 0.00 C ATOM 245 CE LYS A 19 10.066 13.584 -6.046 1.00 0.00 C ATOM 246 NZ LYS A 19 11.020 14.192 -5.080 1.00 0.00 N ATOM 0 H LYS A 19 10.284 9.345 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 19 7.995 10.983 -9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.786 11.278 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.936 11.668 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.562 13.671 -9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.457 13.289 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.433 13.731 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.260 15.031 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.053 13.908 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.087 12.499 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.514 14.454 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.768 13.506 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.447 15.042 -5.502 1.00 0.00 H new ATOM 260 N GLY A 20 8.107 12.293 -11.329 1.00 0.00 N ATOM 261 CA GLY A 20 8.128 13.064 -12.550 1.00 0.00 C ATOM 262 C GLY A 20 8.046 14.554 -12.272 1.00 0.00 C ATOM 263 O GLY A 20 8.498 15.016 -11.223 1.00 0.00 O ATOM 0 H GLY A 20 7.225 12.331 -10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.042 12.846 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.293 12.765 -13.184 1.00 0.00 H new ATOM 267 N PRO A 21 7.436 15.330 -13.180 1.00 0.00 N ATOM 268 CA PRO A 21 7.340 16.793 -13.054 1.00 0.00 C ATOM 269 C PRO A 21 6.254 17.223 -12.073 1.00 0.00 C ATOM 270 O PRO A 21 6.051 18.411 -11.819 1.00 0.00 O ATOM 271 CB PRO A 21 6.965 17.222 -14.468 1.00 0.00 C ATOM 272 CG PRO A 21 6.155 16.086 -14.984 1.00 0.00 C ATOM 273 CD PRO A 21 6.781 14.842 -14.409 1.00 0.00 C ATOM 0 HA PRO A 21 8.260 17.237 -12.673 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.394 18.151 -14.466 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.850 17.393 -15.081 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.113 16.177 -14.677 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.165 16.061 -16.074 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.034 14.079 -14.191 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.499 14.397 -15.098 1.00 0.00 H new ATOM 281 N ASN A 22 5.549 16.246 -11.545 1.00 0.00 N ATOM 282 CA ASN A 22 4.445 16.492 -10.635 1.00 0.00 C ATOM 283 C ASN A 22 4.618 15.673 -9.364 1.00 0.00 C ATOM 284 O ASN A 22 3.656 15.412 -8.636 1.00 0.00 O ATOM 285 CB ASN A 22 3.116 16.141 -11.327 1.00 0.00 C ATOM 286 CG ASN A 22 3.120 14.748 -11.946 1.00 0.00 C ATOM 287 OD1 ASN A 22 3.734 13.819 -11.424 1.00 0.00 O ATOM 288 ND2 ASN A 22 2.454 14.604 -13.083 1.00 0.00 N ATOM 0 H ASN A 22 5.723 15.259 -11.733 1.00 0.00 H new ATOM 0 HA ASN A 22 4.433 17.547 -10.363 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.305 16.208 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.911 16.878 -12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.439 13.700 -13.554 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.956 15.398 -13.486 1.00 0.00 H new ATOM 295 N GLY A 23 5.857 15.283 -9.092 1.00 0.00 N ATOM 296 CA GLY A 23 6.114 14.376 -8.005 1.00 0.00 C ATOM 297 C GLY A 23 5.756 12.963 -8.397 1.00 0.00 C ATOM 298 O GLY A 23 6.457 12.344 -9.189 1.00 0.00 O ATOM 0 H GLY A 23 6.684 15.582 -9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.166 14.426 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.536 14.674 -7.131 1.00 0.00 H new ATOM 302 N TYR A 24 4.656 12.456 -7.877 1.00 0.00 N ATOM 303 CA TYR A 24 4.234 11.105 -8.207 1.00 0.00 C ATOM 304 C TYR A 24 2.786 11.077 -8.683 1.00 0.00 C ATOM 305 O TYR A 24 2.339 10.104 -9.287 1.00 0.00 O ATOM 306 CB TYR A 24 4.436 10.183 -7.008 1.00 0.00 C ATOM 307 CG TYR A 24 5.873 10.124 -6.539 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.361 11.032 -5.609 1.00 0.00 C ATOM 309 CD2 TYR A 24 6.747 9.170 -7.045 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.677 10.993 -5.198 1.00 0.00 C ATOM 311 CE2 TYR A 24 8.063 9.122 -6.636 1.00 0.00 C ATOM 312 CZ TYR A 24 8.524 10.037 -5.714 1.00 0.00 C ATOM 313 OH TYR A 24 9.835 9.999 -5.306 1.00 0.00 O ATOM 0 H TYR A 24 4.042 12.951 -7.230 1.00 0.00 H new ATOM 0 HA TYR A 24 4.852 10.745 -9.029 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.806 10.523 -6.186 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.104 9.178 -7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.699 11.781 -5.201 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.390 8.454 -7.771 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.041 11.708 -4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.729 8.372 -7.036 1.00 0.00 H new ATOM 0 HH TYR A 24 9.874 10.016 -4.327 1.00 0.00 H new ATOM 323 N GLY A 25 2.063 12.161 -8.416 1.00 0.00 N ATOM 324 CA GLY A 25 0.719 12.311 -8.936 1.00 0.00 C ATOM 325 C GLY A 25 -0.330 11.519 -8.178 1.00 0.00 C ATOM 326 O GLY A 25 -1.311 11.073 -8.764 1.00 0.00 O ATOM 0 H GLY A 25 2.388 12.941 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.448 13.367 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.708 12.001 -9.981 1.00 0.00 H new ATOM 330 N PHE A 26 -0.149 11.348 -6.877 1.00 0.00 N ATOM 331 CA PHE A 26 -1.150 10.658 -6.073 1.00 0.00 C ATOM 332 C PHE A 26 -1.399 11.419 -4.773 1.00 0.00 C ATOM 333 O PHE A 26 -0.524 12.132 -4.279 1.00 0.00 O ATOM 334 CB PHE A 26 -0.724 9.206 -5.785 1.00 0.00 C ATOM 335 CG PHE A 26 0.380 9.077 -4.769 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.702 9.283 -5.132 1.00 0.00 C ATOM 337 CD2 PHE A 26 0.093 8.758 -3.449 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.714 9.170 -4.200 1.00 0.00 C ATOM 339 CE2 PHE A 26 1.103 8.646 -2.516 1.00 0.00 C ATOM 340 CZ PHE A 26 2.415 8.854 -2.890 1.00 0.00 C ATOM 0 H PHE A 26 0.669 11.672 -6.360 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.081 10.624 -6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.592 8.647 -5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.401 8.742 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.943 9.534 -6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.932 8.596 -3.149 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.740 9.329 -4.496 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.867 8.395 -1.492 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.206 8.770 -2.159 1.00 0.00 H new ATOM 350 N HIS A 27 -2.605 11.281 -4.246 1.00 0.00 N ATOM 351 CA HIS A 27 -3.008 11.966 -3.023 1.00 0.00 C ATOM 352 C HIS A 27 -3.587 10.952 -2.046 1.00 0.00 C ATOM 353 O HIS A 27 -4.288 10.027 -2.453 1.00 0.00 O ATOM 354 CB HIS A 27 -4.061 13.047 -3.318 1.00 0.00 C ATOM 355 CG HIS A 27 -3.652 14.049 -4.358 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.366 15.365 -4.070 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.526 13.926 -5.700 1.00 0.00 C ATOM 358 CE1 HIS A 27 -3.081 16.005 -5.191 1.00 0.00 C ATOM 359 NE2 HIS A 27 -3.172 15.153 -6.196 1.00 0.00 N ATOM 0 H HIS A 27 -3.333 10.693 -4.651 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.131 12.447 -2.591 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.981 12.561 -3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.289 13.576 -2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.677 13.024 -6.275 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.818 17.049 -5.271 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.006 15.372 -7.178 1.00 0.00 H new ATOM 368 N LEU A 28 -3.306 11.127 -0.765 1.00 0.00 N ATOM 369 CA LEU A 28 -3.763 10.184 0.248 1.00 0.00 C ATOM 370 C LEU A 28 -4.687 10.843 1.256 1.00 0.00 C ATOM 371 O LEU A 28 -4.581 12.037 1.529 1.00 0.00 O ATOM 372 CB LEU A 28 -2.571 9.580 0.986 1.00 0.00 C ATOM 373 CG LEU A 28 -1.771 8.562 0.186 1.00 0.00 C ATOM 374 CD1 LEU A 28 -0.331 8.529 0.672 1.00 0.00 C ATOM 375 CD2 LEU A 28 -2.394 7.182 0.305 1.00 0.00 C ATOM 0 H LEU A 28 -2.765 11.911 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.318 9.401 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.904 10.387 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.931 9.103 1.898 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.784 8.859 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.232 7.797 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.118 9.514 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.309 8.252 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.809 6.467 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.407 6.878 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.414 7.209 -0.078 1.00 0.00 H new ATOM 387 N HIS A 29 -5.581 10.047 1.812 1.00 0.00 N ATOM 388 CA HIS A 29 -6.452 10.501 2.885 1.00 0.00 C ATOM 389 C HIS A 29 -6.417 9.496 4.021 1.00 0.00 C ATOM 390 O HIS A 29 -6.302 8.289 3.790 1.00 0.00 O ATOM 391 CB HIS A 29 -7.896 10.709 2.402 1.00 0.00 C ATOM 392 CG HIS A 29 -8.578 9.465 1.918 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.767 9.000 2.434 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.241 8.608 0.932 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.134 7.914 1.780 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.226 7.654 0.860 1.00 0.00 N ATOM 0 H HIS A 29 -5.725 9.075 1.537 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.086 11.467 3.234 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.480 11.134 3.218 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.893 11.443 1.596 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.284 9.428 3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.358 8.662 0.313 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.027 7.336 1.967 1.00 0.00 H new ATOM 405 N GLY A 30 -6.504 9.999 5.231 1.00 0.00 N ATOM 406 CA GLY A 30 -6.478 9.150 6.393 1.00 0.00 C ATOM 407 C GLY A 30 -7.845 9.020 7.008 1.00 0.00 C ATOM 408 O GLY A 30 -8.365 9.977 7.580 1.00 0.00 O ATOM 0 H GLY A 30 -6.594 10.995 5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.106 8.163 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.784 9.558 7.128 1.00 0.00 H new ATOM 412 N GLU A 31 -8.437 7.849 6.865 1.00 0.00 N ATOM 413 CA GLU A 31 -9.750 7.595 7.423 1.00 0.00 C ATOM 414 C GLU A 31 -9.666 7.496 8.934 1.00 0.00 C ATOM 415 O GLU A 31 -8.892 6.702 9.479 1.00 0.00 O ATOM 416 CB GLU A 31 -10.340 6.322 6.835 1.00 0.00 C ATOM 417 CG GLU A 31 -10.677 6.442 5.364 1.00 0.00 C ATOM 418 CD GLU A 31 -11.735 7.490 5.092 1.00 0.00 C ATOM 419 OE1 GLU A 31 -12.928 7.199 5.317 1.00 0.00 O ATOM 420 OE2 GLU A 31 -11.383 8.604 4.644 1.00 0.00 O ATOM 0 H GLU A 31 -8.028 7.059 6.367 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.406 8.426 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.632 5.504 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.242 6.059 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.773 6.690 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.024 5.477 4.995 1.00 0.00 H new ATOM 427 N LYS A 32 -10.463 8.308 9.603 1.00 0.00 N ATOM 428 CA LYS A 32 -10.416 8.391 11.052 1.00 0.00 C ATOM 429 C LYS A 32 -10.848 7.070 11.665 1.00 0.00 C ATOM 430 O LYS A 32 -11.847 6.479 11.251 1.00 0.00 O ATOM 431 CB LYS A 32 -11.304 9.520 11.569 1.00 0.00 C ATOM 432 CG LYS A 32 -11.068 9.839 13.037 1.00 0.00 C ATOM 433 CD LYS A 32 -9.744 10.559 13.247 1.00 0.00 C ATOM 434 CE LYS A 32 -9.768 11.966 12.665 1.00 0.00 C ATOM 435 NZ LYS A 32 -10.697 12.858 13.407 1.00 0.00 N ATOM 0 H LYS A 32 -11.152 8.920 9.166 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.388 8.605 11.344 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.125 10.416 10.975 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.349 9.247 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.883 10.458 13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.077 8.916 13.617 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.523 10.610 14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.941 9.987 12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.763 12.387 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.067 11.920 11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.537 13.844 13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.679 12.590 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.526 12.765 14.429 1.00 0.00 H new ATOM 449 N GLY A 33 -10.084 6.608 12.639 1.00 0.00 N ATOM 450 CA GLY A 33 -10.351 5.323 13.242 1.00 0.00 C ATOM 451 C GLY A 33 -9.535 4.220 12.601 1.00 0.00 C ATOM 452 O GLY A 33 -9.203 3.230 13.247 1.00 0.00 O ATOM 0 H GLY A 33 -9.280 7.103 13.024 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.127 5.368 14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.412 5.091 13.149 1.00 0.00 H new ATOM 456 N LYS A 34 -9.196 4.404 11.328 1.00 0.00 N ATOM 457 CA LYS A 34 -8.449 3.397 10.584 1.00 0.00 C ATOM 458 C LYS A 34 -6.954 3.657 10.648 1.00 0.00 C ATOM 459 O LYS A 34 -6.151 2.726 10.630 1.00 0.00 O ATOM 460 CB LYS A 34 -8.894 3.349 9.117 1.00 0.00 C ATOM 461 CG LYS A 34 -10.285 2.765 8.890 1.00 0.00 C ATOM 462 CD LYS A 34 -11.387 3.766 9.207 1.00 0.00 C ATOM 463 CE LYS A 34 -12.758 3.202 8.876 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.834 4.213 9.048 1.00 0.00 N ATOM 0 H LYS A 34 -9.427 5.240 10.792 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.660 2.435 11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.869 4.360 8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.171 2.761 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.377 2.442 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.411 1.879 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.346 4.032 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.222 4.683 8.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.762 2.840 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.961 2.344 9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.752 3.786 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.848 4.540 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.655 5.021 8.418 1.00 0.00 H new ATOM 478 N LEU A 35 -6.616 4.936 10.706 1.00 0.00 N ATOM 479 CA LEU A 35 -5.227 5.424 10.757 1.00 0.00 C ATOM 480 C LEU A 35 -4.545 5.310 9.405 1.00 0.00 C ATOM 481 O LEU A 35 -3.953 6.268 8.904 1.00 0.00 O ATOM 482 CB LEU A 35 -4.397 4.679 11.807 1.00 0.00 C ATOM 483 CG LEU A 35 -4.890 4.789 13.247 1.00 0.00 C ATOM 484 CD1 LEU A 35 -3.959 4.019 14.173 1.00 0.00 C ATOM 485 CD2 LEU A 35 -4.981 6.247 13.671 1.00 0.00 C ATOM 0 H LEU A 35 -7.306 5.687 10.720 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.284 6.475 11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.364 3.624 11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.374 5.052 11.764 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.888 4.355 13.312 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.317 4.102 15.199 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.939 2.970 13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.953 4.434 14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.334 6.305 14.701 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.996 6.709 13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.678 6.773 13.018 1.00 0.00 H new ATOM 497 N GLY A 36 -4.646 4.129 8.834 1.00 0.00 N ATOM 498 CA GLY A 36 -4.033 3.839 7.552 1.00 0.00 C ATOM 499 C GLY A 36 -4.468 4.803 6.464 1.00 0.00 C ATOM 500 O GLY A 36 -5.533 5.421 6.550 1.00 0.00 O ATOM 0 H GLY A 36 -5.153 3.344 9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.949 3.879 7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.288 2.822 7.254 1.00 0.00 H new ATOM 504 N GLN A 37 -3.659 4.911 5.425 1.00 0.00 N ATOM 505 CA GLN A 37 -3.916 5.867 4.364 1.00 0.00 C ATOM 506 C GLN A 37 -4.509 5.163 3.161 1.00 0.00 C ATOM 507 O GLN A 37 -4.177 4.020 2.871 1.00 0.00 O ATOM 508 CB GLN A 37 -2.625 6.575 3.944 1.00 0.00 C ATOM 509 CG GLN A 37 -1.952 7.379 5.048 1.00 0.00 C ATOM 510 CD GLN A 37 -2.847 8.456 5.623 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.912 9.571 5.100 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.512 8.147 6.723 1.00 0.00 N ATOM 0 H GLN A 37 -2.819 4.348 5.294 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.621 6.608 4.742 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.921 5.829 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.847 7.242 3.111 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.646 6.704 5.847 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.046 7.839 4.654 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.430 7.212 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.107 8.843 7.172 1.00 0.00 H new ATOM 521 N TYR A 38 -5.407 5.839 2.479 1.00 0.00 N ATOM 522 CA TYR A 38 -5.991 5.308 1.263 1.00 0.00 C ATOM 523 C TYR A 38 -5.736 6.282 0.127 1.00 0.00 C ATOM 524 O TYR A 38 -5.590 7.485 0.362 1.00 0.00 O ATOM 525 CB TYR A 38 -7.500 5.096 1.423 1.00 0.00 C ATOM 526 CG TYR A 38 -7.902 4.189 2.568 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.803 4.607 3.893 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.392 2.914 2.318 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.179 3.776 4.933 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.771 2.080 3.351 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.663 2.515 4.657 1.00 0.00 C ATOM 532 OH TYR A 38 -9.037 1.681 5.686 1.00 0.00 O ATOM 0 H TYR A 38 -5.751 6.761 2.746 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.532 4.343 1.047 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.975 6.067 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.894 4.681 0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.427 5.595 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.478 2.569 1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.094 4.113 5.955 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.150 1.091 3.138 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.356 0.831 5.318 1.00 0.00 H new ATOM 542 N ILE A 39 -5.667 5.772 -1.091 1.00 0.00 N ATOM 543 CA ILE A 39 -5.474 6.624 -2.254 1.00 0.00 C ATOM 544 C ILE A 39 -6.742 7.428 -2.509 1.00 0.00 C ATOM 545 O ILE A 39 -7.762 6.878 -2.922 1.00 0.00 O ATOM 546 CB ILE A 39 -5.128 5.807 -3.517 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.904 4.913 -3.276 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.884 6.736 -4.701 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.610 5.676 -3.101 1.00 0.00 C ATOM 0 H ILE A 39 -5.741 4.777 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.636 7.288 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.977 5.163 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.079 4.306 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.798 4.226 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.641 6.144 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.782 7.323 -4.894 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.054 7.405 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.793 4.974 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.409 6.262 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.694 6.343 -2.243 1.00 0.00 H new ATOM 561 N ARG A 40 -6.682 8.721 -2.233 1.00 0.00 N ATOM 562 CA ARG A 40 -7.835 9.591 -2.399 1.00 0.00 C ATOM 563 C ARG A 40 -7.959 9.985 -3.861 1.00 0.00 C ATOM 564 O ARG A 40 -9.047 9.984 -4.433 1.00 0.00 O ATOM 565 CB ARG A 40 -7.686 10.834 -1.512 1.00 0.00 C ATOM 566 CG ARG A 40 -8.996 11.546 -1.198 1.00 0.00 C ATOM 567 CD ARG A 40 -9.507 12.374 -2.365 1.00 0.00 C ATOM 568 NE ARG A 40 -8.632 13.506 -2.667 1.00 0.00 N ATOM 569 CZ ARG A 40 -8.899 14.420 -3.602 1.00 0.00 C ATOM 570 NH1 ARG A 40 -10.022 14.342 -4.307 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.054 15.422 -3.817 1.00 0.00 N ATOM 0 H ARG A 40 -5.844 9.192 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.740 9.064 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.212 10.542 -0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.013 11.537 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.750 10.808 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.855 12.193 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.594 11.740 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.507 12.742 -2.136 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.769 13.603 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.681 13.583 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.225 15.041 -5.021 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.198 15.494 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.261 16.119 -4.532 1.00 0.00 H new ATOM 585 N LEU A 41 -6.826 10.305 -4.457 1.00 0.00 N ATOM 586 CA LEU A 41 -6.777 10.678 -5.854 1.00 0.00 C ATOM 587 C LEU A 41 -5.469 10.227 -6.469 1.00 0.00 C ATOM 588 O LEU A 41 -4.433 10.219 -5.808 1.00 0.00 O ATOM 589 CB LEU A 41 -6.911 12.192 -6.027 1.00 0.00 C ATOM 590 CG LEU A 41 -6.803 12.677 -7.474 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.076 12.373 -8.246 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.470 14.157 -7.528 1.00 0.00 C ATOM 0 H LEU A 41 -5.920 10.313 -3.988 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.612 10.190 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.873 12.508 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.139 12.683 -5.434 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.987 12.134 -7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.973 12.728 -9.271 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.251 11.297 -8.250 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.918 12.876 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.399 14.476 -8.568 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.254 14.725 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.518 14.334 -7.028 1.00 0.00 H new ATOM 604 N VAL A 42 -5.529 9.842 -7.720 1.00 0.00 N ATOM 605 CA VAL A 42 -4.340 9.578 -8.494 1.00 0.00 C ATOM 606 C VAL A 42 -4.507 10.213 -9.872 1.00 0.00 C ATOM 607 O VAL A 42 -5.472 9.938 -10.587 1.00 0.00 O ATOM 608 CB VAL A 42 -4.033 8.064 -8.573 1.00 0.00 C ATOM 609 CG1 VAL A 42 -5.212 7.279 -9.118 1.00 0.00 C ATOM 610 CG2 VAL A 42 -2.782 7.807 -9.392 1.00 0.00 C ATOM 0 H VAL A 42 -6.401 9.703 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.476 10.025 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.852 7.714 -7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.957 6.220 -9.158 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.075 7.420 -8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.452 7.632 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.587 6.735 -9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.924 8.189 -10.403 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.934 8.312 -8.930 1.00 0.00 H new ATOM 620 N GLU A 43 -3.592 11.114 -10.200 1.00 0.00 N ATOM 621 CA GLU A 43 -3.698 11.934 -11.399 1.00 0.00 C ATOM 622 C GLU A 43 -3.639 11.064 -12.651 1.00 0.00 C ATOM 623 O GLU A 43 -2.712 10.274 -12.816 1.00 0.00 O ATOM 624 CB GLU A 43 -2.568 12.967 -11.428 1.00 0.00 C ATOM 625 CG GLU A 43 -2.441 13.787 -10.146 1.00 0.00 C ATOM 626 CD GLU A 43 -3.559 14.785 -9.945 1.00 0.00 C ATOM 627 OE1 GLU A 43 -4.155 15.239 -10.944 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.829 15.141 -8.779 1.00 0.00 O ATOM 0 H GLU A 43 -2.757 11.297 -9.644 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.657 12.452 -11.381 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.625 12.453 -11.613 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.731 13.645 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.415 13.109 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.490 14.319 -10.159 1.00 0.00 H new ATOM 635 N PRO A 44 -4.634 11.187 -13.538 1.00 0.00 N ATOM 636 CA PRO A 44 -4.671 10.420 -14.783 1.00 0.00 C ATOM 637 C PRO A 44 -3.479 10.733 -15.672 1.00 0.00 C ATOM 638 O PRO A 44 -3.374 11.821 -16.243 1.00 0.00 O ATOM 639 CB PRO A 44 -5.963 10.863 -15.459 1.00 0.00 C ATOM 640 CG PRO A 44 -6.774 11.476 -14.377 1.00 0.00 C ATOM 641 CD PRO A 44 -5.803 12.064 -13.399 1.00 0.00 C ATOM 0 HA PRO A 44 -4.631 9.347 -14.596 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.765 11.578 -16.257 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.482 10.017 -15.910 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.436 12.244 -14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.406 10.730 -13.895 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.563 13.100 -13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.197 12.056 -12.383 1.00 0.00 H new ATOM 649 N GLY A 45 -2.589 9.771 -15.773 1.00 0.00 N ATOM 650 CA GLY A 45 -1.381 9.939 -16.556 1.00 0.00 C ATOM 651 C GLY A 45 -0.153 10.078 -15.681 1.00 0.00 C ATOM 652 O GLY A 45 0.916 10.465 -16.155 1.00 0.00 O ATOM 0 H GLY A 45 -2.678 8.861 -15.322 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.258 9.084 -17.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.478 10.822 -17.188 1.00 0.00 H new ATOM 656 N SER A 46 -0.303 9.767 -14.400 1.00 0.00 N ATOM 657 CA SER A 46 0.805 9.846 -13.461 1.00 0.00 C ATOM 658 C SER A 46 1.532 8.507 -13.375 1.00 0.00 C ATOM 659 O SER A 46 0.986 7.462 -13.744 1.00 0.00 O ATOM 660 CB SER A 46 0.290 10.246 -12.077 1.00 0.00 C ATOM 661 OG SER A 46 -0.615 9.279 -11.571 1.00 0.00 O ATOM 0 H SER A 46 -1.183 9.457 -13.988 1.00 0.00 H new ATOM 0 HA SER A 46 1.506 10.601 -13.816 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.130 10.357 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.204 11.216 -12.136 1.00 0.00 H new ATOM 0 HG SER A 46 -1.507 9.439 -11.944 1.00 0.00 H new ATOM 667 N PRO A 47 2.790 8.525 -12.904 1.00 0.00 N ATOM 668 CA PRO A 47 3.572 7.305 -12.700 1.00 0.00 C ATOM 669 C PRO A 47 3.034 6.456 -11.552 1.00 0.00 C ATOM 670 O PRO A 47 3.408 5.292 -11.403 1.00 0.00 O ATOM 671 CB PRO A 47 4.976 7.822 -12.374 1.00 0.00 C ATOM 672 CG PRO A 47 4.774 9.206 -11.861 1.00 0.00 C ATOM 673 CD PRO A 47 3.553 9.739 -12.558 1.00 0.00 C ATOM 0 HA PRO A 47 3.540 6.654 -13.574 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.464 7.193 -11.629 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.612 7.819 -13.259 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.635 9.204 -10.780 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.644 9.829 -12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.979 10.401 -11.910 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.817 10.313 -13.446 1.00 0.00 H new ATOM 681 N ALA A 48 2.157 7.043 -10.745 1.00 0.00 N ATOM 682 CA ALA A 48 1.537 6.328 -9.640 1.00 0.00 C ATOM 683 C ALA A 48 0.606 5.240 -10.157 1.00 0.00 C ATOM 684 O ALA A 48 0.644 4.101 -9.688 1.00 0.00 O ATOM 685 CB ALA A 48 0.779 7.294 -8.742 1.00 0.00 C ATOM 0 H ALA A 48 1.860 8.014 -10.837 1.00 0.00 H new ATOM 0 HA ALA A 48 2.324 5.854 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.321 6.744 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.469 8.036 -8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.003 7.795 -9.320 1.00 0.00 H new ATOM 691 N GLU A 49 -0.210 5.591 -11.148 1.00 0.00 N ATOM 692 CA GLU A 49 -1.154 4.642 -11.737 1.00 0.00 C ATOM 693 C GLU A 49 -0.409 3.454 -12.319 1.00 0.00 C ATOM 694 O GLU A 49 -0.836 2.306 -12.195 1.00 0.00 O ATOM 695 CB GLU A 49 -1.960 5.298 -12.856 1.00 0.00 C ATOM 696 CG GLU A 49 -2.577 6.632 -12.491 1.00 0.00 C ATOM 697 CD GLU A 49 -3.431 7.171 -13.611 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.883 7.414 -14.706 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.651 7.328 -13.420 1.00 0.00 O ATOM 0 H GLU A 49 -0.237 6.524 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.829 4.314 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.310 5.437 -13.720 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.754 4.617 -13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.183 6.520 -11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.788 7.347 -12.257 1.00 0.00 H new ATOM 706 N LYS A 50 0.728 3.754 -12.930 1.00 0.00 N ATOM 707 CA LYS A 50 1.510 2.765 -13.652 1.00 0.00 C ATOM 708 C LYS A 50 2.273 1.854 -12.697 1.00 0.00 C ATOM 709 O LYS A 50 2.832 0.838 -13.110 1.00 0.00 O ATOM 710 CB LYS A 50 2.475 3.473 -14.602 1.00 0.00 C ATOM 711 CG LYS A 50 1.783 4.501 -15.480 1.00 0.00 C ATOM 712 CD LYS A 50 2.747 5.163 -16.447 1.00 0.00 C ATOM 713 CE LYS A 50 2.059 6.250 -17.257 1.00 0.00 C ATOM 714 NZ LYS A 50 0.854 5.741 -17.963 1.00 0.00 N ATOM 0 H LYS A 50 1.133 4.690 -12.938 1.00 0.00 H new ATOM 0 HA LYS A 50 0.829 2.138 -14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.256 3.964 -14.021 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.965 2.732 -15.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.982 4.019 -16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.320 5.262 -14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.582 5.593 -15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.162 4.413 -17.120 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.773 7.068 -16.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.760 6.658 -17.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.534 6.447 -18.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.088 4.855 -18.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.096 5.565 -17.273 1.00 0.00 H new ATOM 728 N ALA A 51 2.302 2.225 -11.425 1.00 0.00 N ATOM 729 CA ALA A 51 2.915 1.391 -10.405 1.00 0.00 C ATOM 730 C ALA A 51 1.881 0.456 -9.799 1.00 0.00 C ATOM 731 O ALA A 51 2.220 -0.553 -9.185 1.00 0.00 O ATOM 732 CB ALA A 51 3.550 2.250 -9.328 1.00 0.00 C ATOM 0 H ALA A 51 1.908 3.099 -11.076 1.00 0.00 H new ATOM 0 HA ALA A 51 3.697 0.790 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.004 1.609 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.316 2.885 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.787 2.874 -8.863 1.00 0.00 H new ATOM 738 N GLY A 52 0.613 0.788 -10.003 1.00 0.00 N ATOM 739 CA GLY A 52 -0.461 -0.003 -9.440 1.00 0.00 C ATOM 740 C GLY A 52 -1.136 0.694 -8.276 1.00 0.00 C ATOM 741 O GLY A 52 -1.251 0.131 -7.187 1.00 0.00 O ATOM 0 H GLY A 52 0.310 1.594 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.200 -0.213 -10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.067 -0.963 -9.107 1.00 0.00 H new ATOM 745 N LEU A 53 -1.569 1.927 -8.501 1.00 0.00 N ATOM 746 CA LEU A 53 -2.239 2.704 -7.467 1.00 0.00 C ATOM 747 C LEU A 53 -3.546 3.275 -7.994 1.00 0.00 C ATOM 748 O LEU A 53 -3.550 4.099 -8.908 1.00 0.00 O ATOM 749 CB LEU A 53 -1.342 3.845 -6.976 1.00 0.00 C ATOM 750 CG LEU A 53 -0.043 3.415 -6.286 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.791 4.635 -5.923 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.346 2.592 -5.042 1.00 0.00 C ATOM 0 H LEU A 53 -1.468 2.412 -9.393 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.450 2.037 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.088 4.476 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.914 4.461 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 53 0.527 2.796 -6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.711 4.314 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.036 5.191 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.224 5.275 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.588 2.296 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.935 3.189 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.908 1.702 -5.323 1.00 0.00 H new ATOM 764 N LEU A 54 -4.651 2.821 -7.426 1.00 0.00 N ATOM 765 CA LEU A 54 -5.961 3.337 -7.778 1.00 0.00 C ATOM 766 C LEU A 54 -6.593 3.975 -6.548 1.00 0.00 C ATOM 767 O LEU A 54 -6.165 3.704 -5.426 1.00 0.00 O ATOM 768 CB LEU A 54 -6.850 2.214 -8.302 1.00 0.00 C ATOM 769 CG LEU A 54 -8.075 2.683 -9.087 1.00 0.00 C ATOM 770 CD1 LEU A 54 -7.650 3.383 -10.368 1.00 0.00 C ATOM 771 CD2 LEU A 54 -8.980 1.509 -9.394 1.00 0.00 C ATOM 0 H LEU A 54 -4.665 2.091 -6.714 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.855 4.085 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.252 1.564 -8.941 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.185 1.610 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.629 3.396 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.535 3.710 -10.914 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.034 4.248 -10.123 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.076 2.693 -10.987 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.849 1.856 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.435 0.775 -9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.308 1.049 -8.462 1.00 0.00 H new ATOM 783 N ALA A 55 -7.610 4.809 -6.751 1.00 0.00 N ATOM 784 CA ALA A 55 -8.244 5.538 -5.650 1.00 0.00 C ATOM 785 C ALA A 55 -9.143 4.633 -4.808 1.00 0.00 C ATOM 786 O ALA A 55 -10.259 5.005 -4.444 1.00 0.00 O ATOM 787 CB ALA A 55 -9.035 6.721 -6.186 1.00 0.00 C ATOM 0 H ALA A 55 -8.015 4.998 -7.668 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.450 5.905 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.501 7.253 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.365 7.395 -6.719 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.807 6.364 -6.867 1.00 0.00 H new ATOM 793 N GLY A 56 -8.648 3.448 -4.505 1.00 0.00 N ATOM 794 CA GLY A 56 -9.377 2.515 -3.675 1.00 0.00 C ATOM 795 C GLY A 56 -8.461 1.548 -2.950 1.00 0.00 C ATOM 796 O GLY A 56 -8.929 0.631 -2.279 1.00 0.00 O ATOM 0 H GLY A 56 -7.740 3.110 -4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.968 3.068 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.077 1.953 -4.293 1.00 0.00 H new ATOM 800 N ASP A 57 -7.154 1.759 -3.079 1.00 0.00 N ATOM 801 CA ASP A 57 -6.164 0.896 -2.447 1.00 0.00 C ATOM 802 C ASP A 57 -5.811 1.434 -1.070 1.00 0.00 C ATOM 803 O ASP A 57 -5.808 2.650 -0.858 1.00 0.00 O ATOM 804 CB ASP A 57 -4.889 0.814 -3.301 1.00 0.00 C ATOM 805 CG ASP A 57 -5.084 0.068 -4.605 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.639 0.653 -5.560 1.00 0.00 O ATOM 807 OD2 ASP A 57 -4.665 -1.103 -4.690 1.00 0.00 O ATOM 0 H ASP A 57 -6.755 2.526 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.592 -0.102 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.540 1.824 -3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.105 0.323 -2.724 1.00 0.00 H new ATOM 812 N ARG A 58 -5.519 0.541 -0.133 1.00 0.00 N ATOM 813 CA ARG A 58 -5.095 0.963 1.192 1.00 0.00 C ATOM 814 C ARG A 58 -3.584 0.870 1.298 1.00 0.00 C ATOM 815 O ARG A 58 -2.988 -0.150 0.948 1.00 0.00 O ATOM 816 CB ARG A 58 -5.744 0.119 2.288 1.00 0.00 C ATOM 817 CG ARG A 58 -5.618 0.750 3.670 1.00 0.00 C ATOM 818 CD ARG A 58 -6.191 -0.142 4.758 1.00 0.00 C ATOM 819 NE ARG A 58 -5.310 -1.263 5.055 1.00 0.00 N ATOM 820 CZ ARG A 58 -5.717 -2.509 5.242 1.00 0.00 C ATOM 821 NH1 ARG A 58 -7.010 -2.809 5.209 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.824 -3.458 5.482 1.00 0.00 N ATOM 0 H ARG A 58 -5.568 -0.469 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.414 1.996 1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.799 -0.024 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.283 -0.869 2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.568 0.951 3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.135 1.710 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.351 0.445 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.165 -0.518 4.445 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.310 -1.075 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.699 -2.077 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.314 -3.772 5.354 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.831 -3.226 5.522 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.129 -4.420 5.627 1.00 0.00 H new ATOM 836 N LEU A 59 -2.978 1.943 1.768 1.00 0.00 N ATOM 837 CA LEU A 59 -1.537 2.016 1.916 1.00 0.00 C ATOM 838 C LEU A 59 -1.096 1.252 3.158 1.00 0.00 C ATOM 839 O LEU A 59 -1.342 1.684 4.282 1.00 0.00 O ATOM 840 CB LEU A 59 -1.109 3.480 1.996 1.00 0.00 C ATOM 841 CG LEU A 59 0.394 3.732 2.021 1.00 0.00 C ATOM 842 CD1 LEU A 59 1.055 3.176 0.769 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.659 5.221 2.150 1.00 0.00 C ATOM 0 H LEU A 59 -3.470 2.788 2.058 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.058 1.557 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.533 4.010 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.547 3.918 2.893 1.00 0.00 H new ATOM 0 HG LEU A 59 0.824 3.219 2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.127 3.367 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.880 2.102 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.632 3.660 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.734 5.399 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.219 5.744 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.215 5.591 3.074 1.00 0.00 H new ATOM 855 N VAL A 60 -0.445 0.118 2.938 1.00 0.00 N ATOM 856 CA VAL A 60 -0.047 -0.767 4.021 1.00 0.00 C ATOM 857 C VAL A 60 1.348 -0.422 4.527 1.00 0.00 C ATOM 858 O VAL A 60 1.593 -0.396 5.731 1.00 0.00 O ATOM 859 CB VAL A 60 -0.061 -2.244 3.573 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.220 -3.169 4.746 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.384 -2.589 2.916 1.00 0.00 C ATOM 0 H VAL A 60 -0.180 -0.212 2.010 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.770 -0.628 4.824 1.00 0.00 H new ATOM 0 HB VAL A 60 0.732 -2.385 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.205 -4.204 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.200 -2.939 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.543 -3.028 5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.375 -3.634 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.196 -2.427 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.533 -1.954 2.043 1.00 0.00 H new ATOM 871 N GLU A 61 2.262 -0.156 3.612 1.00 0.00 N ATOM 872 CA GLU A 61 3.642 0.103 3.982 1.00 0.00 C ATOM 873 C GLU A 61 4.248 1.160 3.068 1.00 0.00 C ATOM 874 O GLU A 61 3.848 1.296 1.911 1.00 0.00 O ATOM 875 CB GLU A 61 4.422 -1.221 3.925 1.00 0.00 C ATOM 876 CG GLU A 61 5.932 -1.101 4.053 1.00 0.00 C ATOM 877 CD GLU A 61 6.650 -1.252 2.729 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.733 -2.387 2.224 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.157 -0.240 2.206 1.00 0.00 O ATOM 0 H GLU A 61 2.075 -0.114 2.610 1.00 0.00 H new ATOM 0 HA GLU A 61 3.694 0.496 4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.059 -1.870 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.194 -1.716 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.179 -0.132 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.294 -1.861 4.746 1.00 0.00 H new ATOM 886 N VAL A 62 5.206 1.910 3.600 1.00 0.00 N ATOM 887 CA VAL A 62 5.869 2.960 2.842 1.00 0.00 C ATOM 888 C VAL A 62 7.367 2.907 3.072 1.00 0.00 C ATOM 889 O VAL A 62 7.850 3.250 4.156 1.00 0.00 O ATOM 890 CB VAL A 62 5.368 4.369 3.223 1.00 0.00 C ATOM 891 CG1 VAL A 62 6.064 5.431 2.384 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.863 4.473 3.064 1.00 0.00 C ATOM 0 H VAL A 62 5.541 1.808 4.558 1.00 0.00 H new ATOM 0 HA VAL A 62 5.632 2.782 1.793 1.00 0.00 H new ATOM 0 HB VAL A 62 5.612 4.539 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.697 6.417 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.140 5.381 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.855 5.256 1.329 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.537 5.476 3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.592 4.275 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.377 3.743 3.712 1.00 0.00 H new ATOM 902 N ASN A 63 8.085 2.462 2.055 1.00 0.00 N ATOM 903 CA ASN A 63 9.543 2.427 2.073 1.00 0.00 C ATOM 904 C ASN A 63 10.084 1.580 3.223 1.00 0.00 C ATOM 905 O ASN A 63 11.078 1.939 3.859 1.00 0.00 O ATOM 906 CB ASN A 63 10.114 3.850 2.136 1.00 0.00 C ATOM 907 CG ASN A 63 9.981 4.586 0.817 1.00 0.00 C ATOM 908 OD1 ASN A 63 10.074 3.988 -0.256 1.00 0.00 O ATOM 909 ND2 ASN A 63 9.760 5.889 0.882 1.00 0.00 N ATOM 0 H ASN A 63 7.675 2.113 1.189 1.00 0.00 H new ATOM 0 HA ASN A 63 9.867 1.956 1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.598 4.411 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 63 11.166 3.804 2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.661 6.433 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.689 6.350 1.789 1.00 0.00 H new ATOM 916 N GLY A 64 9.417 0.463 3.493 1.00 0.00 N ATOM 917 CA GLY A 64 9.956 -0.513 4.419 1.00 0.00 C ATOM 918 C GLY A 64 9.233 -0.590 5.753 1.00 0.00 C ATOM 919 O GLY A 64 9.494 -1.506 6.536 1.00 0.00 O ATOM 0 H GLY A 64 8.514 0.217 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.926 -1.496 3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.005 -0.279 4.603 1.00 0.00 H new ATOM 923 N GLU A 65 8.331 0.341 6.034 1.00 0.00 N ATOM 924 CA GLU A 65 7.670 0.352 7.334 1.00 0.00 C ATOM 925 C GLU A 65 6.150 0.325 7.198 1.00 0.00 C ATOM 926 O GLU A 65 5.571 1.027 6.363 1.00 0.00 O ATOM 927 CB GLU A 65 8.112 1.558 8.166 1.00 0.00 C ATOM 928 CG GLU A 65 7.709 1.446 9.629 1.00 0.00 C ATOM 929 CD GLU A 65 8.362 2.488 10.514 1.00 0.00 C ATOM 930 OE1 GLU A 65 9.507 2.896 10.223 1.00 0.00 O ATOM 931 OE2 GLU A 65 7.748 2.883 11.530 1.00 0.00 O ATOM 0 H GLU A 65 8.044 1.083 5.396 1.00 0.00 H new ATOM 0 HA GLU A 65 7.972 -0.557 7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.195 1.662 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.678 2.464 7.743 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.626 1.540 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.971 0.453 9.995 1.00 0.00 H new ATOM 938 N ASN A 66 5.520 -0.498 8.034 1.00 0.00 N ATOM 939 CA ASN A 66 4.071 -0.681 8.035 1.00 0.00 C ATOM 940 C ASN A 66 3.371 0.590 8.510 1.00 0.00 C ATOM 941 O ASN A 66 3.523 0.997 9.663 1.00 0.00 O ATOM 942 CB ASN A 66 3.711 -1.854 8.957 1.00 0.00 C ATOM 943 CG ASN A 66 2.235 -2.213 8.950 1.00 0.00 C ATOM 944 OD1 ASN A 66 1.679 -2.605 9.974 1.00 0.00 O ATOM 945 ND2 ASN A 66 1.593 -2.110 7.799 1.00 0.00 N ATOM 0 H ASN A 66 6.004 -1.060 8.734 1.00 0.00 H new ATOM 0 HA ASN A 66 3.738 -0.897 7.020 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.289 -2.729 8.658 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.010 -1.607 9.976 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.606 -2.359 7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.085 -1.781 6.968 1.00 0.00 H new ATOM 952 N VAL A 67 2.596 1.207 7.626 1.00 0.00 N ATOM 953 CA VAL A 67 1.955 2.481 7.937 1.00 0.00 C ATOM 954 C VAL A 67 0.473 2.315 8.274 1.00 0.00 C ATOM 955 O VAL A 67 -0.287 3.281 8.252 1.00 0.00 O ATOM 956 CB VAL A 67 2.110 3.492 6.783 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.575 3.824 6.564 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.481 2.962 5.503 1.00 0.00 C ATOM 0 H VAL A 67 2.396 0.849 6.692 1.00 0.00 H new ATOM 0 HA VAL A 67 2.466 2.868 8.818 1.00 0.00 H new ATOM 0 HB VAL A 67 1.585 4.406 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.668 4.539 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.990 4.258 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.121 2.914 6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.605 3.695 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.968 2.030 5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.419 2.781 5.667 1.00 0.00 H new ATOM 968 N GLU A 68 0.079 1.093 8.611 1.00 0.00 N ATOM 969 CA GLU A 68 -1.303 0.805 8.997 1.00 0.00 C ATOM 970 C GLU A 68 -1.657 1.474 10.322 1.00 0.00 C ATOM 971 O GLU A 68 -2.827 1.600 10.683 1.00 0.00 O ATOM 972 CB GLU A 68 -1.504 -0.702 9.127 1.00 0.00 C ATOM 973 CG GLU A 68 -1.544 -1.436 7.797 1.00 0.00 C ATOM 974 CD GLU A 68 -2.760 -1.085 6.968 1.00 0.00 C ATOM 975 OE1 GLU A 68 -3.741 -0.563 7.536 1.00 0.00 O ATOM 976 OE2 GLU A 68 -2.746 -1.358 5.750 1.00 0.00 O ATOM 0 H GLU A 68 0.697 0.281 8.626 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.957 1.202 8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.698 -1.115 9.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.435 -0.889 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.643 -1.200 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.533 -2.510 7.980 1.00 0.00 H new ATOM 983 N LYS A 69 -0.637 1.881 11.049 1.00 0.00 N ATOM 984 CA LYS A 69 -0.812 2.484 12.362 1.00 0.00 C ATOM 985 C LYS A 69 -0.191 3.874 12.410 1.00 0.00 C ATOM 986 O LYS A 69 0.137 4.381 13.485 1.00 0.00 O ATOM 987 CB LYS A 69 -0.168 1.596 13.423 1.00 0.00 C ATOM 988 CG LYS A 69 1.166 1.028 12.975 1.00 0.00 C ATOM 989 CD LYS A 69 2.073 0.705 14.145 1.00 0.00 C ATOM 990 CE LYS A 69 2.590 1.974 14.800 1.00 0.00 C ATOM 991 NZ LYS A 69 3.769 1.705 15.659 1.00 0.00 N ATOM 0 H LYS A 69 0.336 1.805 10.751 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.880 2.578 12.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.025 2.173 14.337 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.845 0.777 13.666 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.996 0.125 12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.662 1.744 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.529 0.109 14.878 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.913 0.100 13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.858 2.698 14.030 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.798 2.423 15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.095 2.594 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.507 1.033 16.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.533 1.299 15.082 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.031 4.482 11.246 1.00 0.00 N ATOM 1006 CA GLU A 70 0.611 5.784 11.143 1.00 0.00 C ATOM 1007 C GLU A 70 -0.416 6.878 10.891 1.00 0.00 C ATOM 1008 O GLU A 70 -1.621 6.630 10.916 1.00 0.00 O ATOM 1009 CB GLU A 70 1.631 5.778 10.006 1.00 0.00 C ATOM 1010 CG GLU A 70 2.759 4.786 10.205 1.00 0.00 C ATOM 1011 CD GLU A 70 3.619 5.105 11.408 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.424 6.054 11.327 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.512 4.397 12.429 1.00 0.00 O ATOM 0 H GLU A 70 -0.338 4.093 10.355 1.00 0.00 H new ATOM 0 HA GLU A 70 1.116 5.986 12.088 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.119 5.550 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.052 6.778 9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.341 3.786 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.384 4.770 9.312 1.00 0.00 H new ATOM 1020 N THR A 71 0.070 8.085 10.650 1.00 0.00 N ATOM 1021 CA THR A 71 -0.793 9.210 10.346 1.00 0.00 C ATOM 1022 C THR A 71 -0.508 9.724 8.946 1.00 0.00 C ATOM 1023 O THR A 71 0.447 9.277 8.306 1.00 0.00 O ATOM 1024 CB THR A 71 -0.590 10.362 11.343 1.00 0.00 C ATOM 1025 OG1 THR A 71 0.746 10.868 11.223 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.840 9.894 12.768 1.00 0.00 C ATOM 0 H THR A 71 1.065 8.309 10.660 1.00 0.00 H new ATOM 0 HA THR A 71 -1.822 8.859 10.418 1.00 0.00 H new ATOM 0 HB THR A 71 -1.304 11.153 11.113 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.293 10.527 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.690 10.726 13.456 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.863 9.529 12.857 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.146 9.091 13.014 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.305 10.673 8.480 1.00 0.00 N ATOM 1035 CA HIS A 72 -1.105 11.243 7.157 1.00 0.00 C ATOM 1036 C HIS A 72 0.268 11.892 7.068 1.00 0.00 C ATOM 1037 O HIS A 72 1.018 11.654 6.124 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.196 12.275 6.845 1.00 0.00 C ATOM 1039 CG HIS A 72 -2.056 12.912 5.495 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.445 12.293 4.328 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.559 14.119 5.132 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.192 13.088 3.304 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.656 14.204 3.763 1.00 0.00 N ATOM 0 H HIS A 72 -2.093 11.063 8.996 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.166 10.440 6.422 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -3.170 11.791 6.909 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.176 13.053 7.608 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -2.863 11.365 4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.161 14.874 5.794 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.390 12.863 2.266 1.00 0.00 H new ATOM 1052 N GLN A 73 0.599 12.683 8.080 1.00 0.00 N ATOM 1053 CA GLN A 73 1.857 13.415 8.106 1.00 0.00 C ATOM 1054 C GLN A 73 3.041 12.456 8.167 1.00 0.00 C ATOM 1055 O GLN A 73 4.023 12.621 7.441 1.00 0.00 O ATOM 1056 CB GLN A 73 1.898 14.357 9.307 1.00 0.00 C ATOM 1057 CG GLN A 73 3.069 15.324 9.276 1.00 0.00 C ATOM 1058 CD GLN A 73 3.205 16.119 10.559 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.857 15.647 11.640 1.00 0.00 O ATOM 1060 NE2 GLN A 73 3.723 17.333 10.452 1.00 0.00 N ATOM 0 H GLN A 73 0.009 12.834 8.898 1.00 0.00 H new ATOM 0 HA GLN A 73 1.926 13.999 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.968 14.925 9.346 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.949 13.766 10.221 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.990 14.768 9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.945 16.011 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.000 17.690 9.538 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.845 17.911 11.284 1.00 0.00 H new ATOM 1069 N GLN A 74 2.933 11.447 9.028 1.00 0.00 N ATOM 1070 CA GLN A 74 4.007 10.481 9.206 1.00 0.00 C ATOM 1071 C GLN A 74 4.248 9.692 7.929 1.00 0.00 C ATOM 1072 O GLN A 74 5.393 9.457 7.551 1.00 0.00 O ATOM 1073 CB GLN A 74 3.701 9.545 10.374 1.00 0.00 C ATOM 1074 CG GLN A 74 3.873 10.216 11.726 1.00 0.00 C ATOM 1075 CD GLN A 74 3.513 9.314 12.889 1.00 0.00 C ATOM 1076 OE1 GLN A 74 2.372 9.303 13.351 1.00 0.00 O ATOM 1077 NE2 GLN A 74 4.483 8.557 13.368 1.00 0.00 N ATOM 0 H GLN A 74 2.113 11.280 9.611 1.00 0.00 H new ATOM 0 HA GLN A 74 4.920 11.029 9.438 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.678 9.179 10.282 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.356 8.676 10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.908 10.542 11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 74 3.251 11.111 11.762 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.414 8.599 12.954 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.301 7.931 14.152 1.00 0.00 H new ATOM 1086 N VAL A 75 3.174 9.302 7.257 1.00 0.00 N ATOM 1087 CA VAL A 75 3.294 8.602 5.987 1.00 0.00 C ATOM 1088 C VAL A 75 3.970 9.481 4.935 1.00 0.00 C ATOM 1089 O VAL A 75 4.867 9.027 4.224 1.00 0.00 O ATOM 1090 CB VAL A 75 1.921 8.133 5.470 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.026 7.631 4.040 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.364 7.042 6.372 1.00 0.00 C ATOM 0 H VAL A 75 2.215 9.457 7.568 1.00 0.00 H new ATOM 0 HA VAL A 75 3.915 7.724 6.164 1.00 0.00 H new ATOM 0 HB VAL A 75 1.240 8.984 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.044 7.305 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.387 8.434 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.722 6.793 3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.393 6.719 5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.049 6.194 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.250 7.430 7.384 1.00 0.00 H new ATOM 1102 N VAL A 76 3.554 10.743 4.851 1.00 0.00 N ATOM 1103 CA VAL A 76 4.134 11.674 3.887 1.00 0.00 C ATOM 1104 C VAL A 76 5.627 11.861 4.147 1.00 0.00 C ATOM 1105 O VAL A 76 6.426 11.941 3.214 1.00 0.00 O ATOM 1106 CB VAL A 76 3.428 13.050 3.913 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.101 14.028 2.960 1.00 0.00 C ATOM 1108 CG2 VAL A 76 1.957 12.903 3.562 1.00 0.00 C ATOM 0 H VAL A 76 2.821 11.143 5.436 1.00 0.00 H new ATOM 0 HA VAL A 76 3.989 11.237 2.899 1.00 0.00 H new ATOM 0 HB VAL A 76 3.509 13.448 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.584 14.987 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.142 14.164 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.059 13.634 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.478 13.882 3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.862 12.477 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.474 12.245 4.285 1.00 0.00 H new ATOM 1118 N SER A 77 6.001 11.910 5.421 1.00 0.00 N ATOM 1119 CA SER A 77 7.400 12.028 5.808 1.00 0.00 C ATOM 1120 C SER A 77 8.203 10.835 5.279 1.00 0.00 C ATOM 1121 O SER A 77 9.347 10.979 4.841 1.00 0.00 O ATOM 1122 CB SER A 77 7.513 12.116 7.332 1.00 0.00 C ATOM 1123 OG SER A 77 8.852 12.333 7.742 1.00 0.00 O ATOM 0 H SER A 77 5.351 11.870 6.206 1.00 0.00 H new ATOM 0 HA SER A 77 7.812 12.938 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.883 12.927 7.698 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.139 11.195 7.779 1.00 0.00 H new ATOM 0 HG SER A 77 8.890 12.386 8.720 1.00 0.00 H new ATOM 1129 N ARG A 78 7.587 9.659 5.315 1.00 0.00 N ATOM 1130 CA ARG A 78 8.208 8.440 4.812 1.00 0.00 C ATOM 1131 C ARG A 78 8.350 8.494 3.296 1.00 0.00 C ATOM 1132 O ARG A 78 9.327 8.000 2.734 1.00 0.00 O ATOM 1133 CB ARG A 78 7.383 7.225 5.232 1.00 0.00 C ATOM 1134 CG ARG A 78 7.180 7.152 6.731 1.00 0.00 C ATOM 1135 CD ARG A 78 6.329 5.962 7.141 1.00 0.00 C ATOM 1136 NE ARG A 78 6.163 5.904 8.592 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.147 5.623 9.440 1.00 0.00 C ATOM 1138 NH1 ARG A 78 8.357 5.330 8.985 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.922 5.634 10.742 1.00 0.00 N ATOM 0 H ARG A 78 6.649 9.524 5.691 1.00 0.00 H new ATOM 0 HA ARG A 78 9.206 8.353 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.412 7.261 4.738 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.880 6.317 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.150 7.089 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.706 8.071 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.352 6.029 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.794 5.041 6.789 1.00 0.00 H new ATOM 0 HE ARG A 78 5.237 6.090 8.977 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.536 5.320 7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.110 5.115 9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.992 5.858 11.097 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.678 5.418 11.392 1.00 0.00 H new ATOM 1153 N ILE A 79 7.367 9.095 2.640 1.00 0.00 N ATOM 1154 CA ILE A 79 7.419 9.297 1.198 1.00 0.00 C ATOM 1155 C ILE A 79 8.537 10.280 0.843 1.00 0.00 C ATOM 1156 O ILE A 79 9.213 10.131 -0.173 1.00 0.00 O ATOM 1157 CB ILE A 79 6.072 9.828 0.656 1.00 0.00 C ATOM 1158 CG1 ILE A 79 4.938 8.861 1.012 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.143 10.035 -0.853 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.563 9.368 0.635 1.00 0.00 C ATOM 0 H ILE A 79 6.521 9.452 3.085 1.00 0.00 H new ATOM 0 HA ILE A 79 7.620 8.331 0.734 1.00 0.00 H new ATOM 0 HB ILE A 79 5.868 10.791 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.114 7.909 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.962 8.666 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.185 10.409 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.925 10.758 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.369 9.087 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.813 8.630 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.365 10.305 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.519 9.535 -0.441 1.00 0.00 H new ATOM 1172 N ARG A 80 8.735 11.274 1.709 1.00 0.00 N ATOM 1173 CA ARG A 80 9.788 12.268 1.519 1.00 0.00 C ATOM 1174 C ARG A 80 11.168 11.642 1.690 1.00 0.00 C ATOM 1175 O ARG A 80 12.164 12.184 1.210 1.00 0.00 O ATOM 1176 CB ARG A 80 9.627 13.421 2.514 1.00 0.00 C ATOM 1177 CG ARG A 80 8.372 14.253 2.314 1.00 0.00 C ATOM 1178 CD ARG A 80 8.368 14.948 0.963 1.00 0.00 C ATOM 1179 NE ARG A 80 7.224 15.849 0.819 1.00 0.00 N ATOM 1180 CZ ARG A 80 6.994 16.613 -0.248 1.00 0.00 C ATOM 1181 NH1 ARG A 80 7.838 16.607 -1.271 1.00 0.00 N ATOM 1182 NH2 ARG A 80 5.920 17.396 -0.285 1.00 0.00 N ATOM 0 H ARG A 80 8.177 11.411 2.552 1.00 0.00 H new ATOM 0 HA ARG A 80 9.698 12.653 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.621 13.014 3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.497 14.074 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.494 13.613 2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.299 14.998 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.293 15.512 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.344 14.201 0.170 1.00 0.00 H new ATOM 0 HE ARG A 80 6.556 15.895 1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.668 16.015 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.657 17.194 -2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.273 17.412 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.743 17.981 -1.102 1.00 0.00 H new ATOM 1196 N ALA A 81 11.227 10.515 2.392 1.00 0.00 N ATOM 1197 CA ALA A 81 12.488 9.812 2.603 1.00 0.00 C ATOM 1198 C ALA A 81 13.057 9.323 1.279 1.00 0.00 C ATOM 1199 O ALA A 81 14.265 9.389 1.047 1.00 0.00 O ATOM 1200 CB ALA A 81 12.300 8.644 3.558 1.00 0.00 C ATOM 0 H ALA A 81 10.418 10.069 2.824 1.00 0.00 H new ATOM 0 HA ALA A 81 13.195 10.512 3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.253 8.134 3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.938 9.013 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.574 7.946 3.141 1.00 0.00 H new ATOM 1206 N ALA A 82 12.180 8.837 0.414 1.00 0.00 N ATOM 1207 CA ALA A 82 12.581 8.396 -0.909 1.00 0.00 C ATOM 1208 C ALA A 82 12.800 9.609 -1.807 1.00 0.00 C ATOM 1209 O ALA A 82 11.980 10.528 -1.853 1.00 0.00 O ATOM 1210 CB ALA A 82 11.530 7.463 -1.481 1.00 0.00 C ATOM 0 H ALA A 82 11.183 8.739 0.607 1.00 0.00 H new ATOM 0 HA ALA A 82 13.520 7.845 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.836 7.135 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.421 6.595 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.577 7.987 -1.550 1.00 0.00 H new ATOM 1216 N LEU A 83 13.923 9.599 -2.514 1.00 0.00 N ATOM 1217 CA LEU A 83 14.386 10.770 -3.247 1.00 0.00 C ATOM 1218 C LEU A 83 13.676 10.936 -4.585 1.00 0.00 C ATOM 1219 O LEU A 83 12.915 11.884 -4.781 1.00 0.00 O ATOM 1220 CB LEU A 83 15.902 10.698 -3.479 1.00 0.00 C ATOM 1221 CG LEU A 83 16.787 10.858 -2.232 1.00 0.00 C ATOM 1222 CD1 LEU A 83 16.335 12.049 -1.399 1.00 0.00 C ATOM 1223 CD2 LEU A 83 16.799 9.583 -1.396 1.00 0.00 C ATOM 0 H LEU A 83 14.534 8.786 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 83 14.148 11.638 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 16.133 9.739 -3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 83 16.176 11.472 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 83 17.807 11.044 -2.568 1.00 0.00 H new ATOM 0 HD11 LEU A 83 16.975 12.143 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.403 12.958 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 83 15.303 11.900 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.433 9.727 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.784 9.350 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.188 8.759 -1.994 1.00 0.00 H new ATOM 1235 N ASN A 84 13.937 10.026 -5.508 1.00 0.00 N ATOM 1236 CA ASN A 84 13.398 10.138 -6.856 1.00 0.00 C ATOM 1237 C ASN A 84 12.353 9.068 -7.127 1.00 0.00 C ATOM 1238 O ASN A 84 11.574 9.182 -8.064 1.00 0.00 O ATOM 1239 CB ASN A 84 14.523 10.047 -7.889 1.00 0.00 C ATOM 1240 CG ASN A 84 15.455 11.243 -7.843 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.031 12.369 -7.577 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.732 11.010 -8.095 1.00 0.00 N ATOM 0 H ASN A 84 14.518 9.202 -5.351 1.00 0.00 H new ATOM 0 HA ASN A 84 12.914 11.111 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 84 15.097 9.137 -7.716 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.090 9.966 -8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.404 11.777 -8.073 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.045 10.064 -8.311 1.00 0.00 H new ATOM 1249 N ALA A 85 12.326 8.033 -6.304 1.00 0.00 N ATOM 1250 CA ALA A 85 11.352 6.961 -6.472 1.00 0.00 C ATOM 1251 C ALA A 85 11.011 6.325 -5.136 1.00 0.00 C ATOM 1252 O ALA A 85 11.896 6.035 -4.332 1.00 0.00 O ATOM 1253 CB ALA A 85 11.866 5.918 -7.453 1.00 0.00 C ATOM 0 H ALA A 85 12.962 7.910 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 85 10.439 7.393 -6.881 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.125 5.127 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.045 6.386 -8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.797 5.493 -7.078 1.00 0.00 H new ATOM 1259 N VAL A 86 9.723 6.108 -4.910 1.00 0.00 N ATOM 1260 CA VAL A 86 9.253 5.585 -3.634 1.00 0.00 C ATOM 1261 C VAL A 86 8.730 4.158 -3.783 1.00 0.00 C ATOM 1262 O VAL A 86 8.373 3.728 -4.883 1.00 0.00 O ATOM 1263 CB VAL A 86 8.131 6.470 -3.030 1.00 0.00 C ATOM 1264 CG1 VAL A 86 8.477 7.942 -3.123 1.00 0.00 C ATOM 1265 CG2 VAL A 86 6.796 6.203 -3.704 1.00 0.00 C ATOM 0 H VAL A 86 8.986 6.285 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 86 10.110 5.591 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 86 8.045 6.204 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.670 8.533 -2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.400 8.134 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.610 8.219 -4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.030 6.838 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.876 6.422 -4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.523 5.156 -3.569 1.00 0.00 H new ATOM 1275 N ARG A 87 8.696 3.432 -2.673 1.00 0.00 N ATOM 1276 CA ARG A 87 8.090 2.109 -2.633 1.00 0.00 C ATOM 1277 C ARG A 87 6.840 2.147 -1.765 1.00 0.00 C ATOM 1278 O ARG A 87 6.925 2.388 -0.560 1.00 0.00 O ATOM 1279 CB ARG A 87 9.063 1.069 -2.071 1.00 0.00 C ATOM 1280 CG ARG A 87 10.302 0.835 -2.920 1.00 0.00 C ATOM 1281 CD ARG A 87 11.127 -0.312 -2.359 1.00 0.00 C ATOM 1282 NE ARG A 87 12.318 -0.591 -3.160 1.00 0.00 N ATOM 1283 CZ ARG A 87 12.768 -1.821 -3.419 1.00 0.00 C ATOM 1284 NH1 ARG A 87 12.111 -2.885 -2.964 1.00 0.00 N ATOM 1285 NH2 ARG A 87 13.873 -1.984 -4.134 1.00 0.00 N ATOM 0 H ARG A 87 9.085 3.741 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 87 7.831 1.824 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.375 1.384 -1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.535 0.123 -1.955 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.009 0.612 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.905 1.743 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.427 -0.074 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.509 -1.209 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 87 12.835 0.200 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.260 -2.763 -2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.458 -3.823 -3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.378 -1.170 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.218 -2.923 -4.333 1.00 0.00 H new ATOM 1299 N LEU A 88 5.687 1.927 -2.376 1.00 0.00 N ATOM 1300 CA LEU A 88 4.426 1.948 -1.648 1.00 0.00 C ATOM 1301 C LEU A 88 3.734 0.595 -1.728 1.00 0.00 C ATOM 1302 O LEU A 88 3.402 0.121 -2.811 1.00 0.00 O ATOM 1303 CB LEU A 88 3.504 3.027 -2.218 1.00 0.00 C ATOM 1304 CG LEU A 88 4.080 4.442 -2.222 1.00 0.00 C ATOM 1305 CD1 LEU A 88 3.142 5.390 -2.945 1.00 0.00 C ATOM 1306 CD2 LEU A 88 4.331 4.923 -0.801 1.00 0.00 C ATOM 0 H LEU A 88 5.597 1.732 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 88 4.642 2.172 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.243 2.756 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.578 3.031 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 88 5.033 4.425 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.565 6.395 -2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.010 5.057 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.176 5.401 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.741 5.933 -0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.392 4.926 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.040 4.255 -0.311 1.00 0.00 H new ATOM 1318 N LEU A 89 3.519 -0.025 -0.582 1.00 0.00 N ATOM 1319 CA LEU A 89 2.820 -1.297 -0.533 1.00 0.00 C ATOM 1320 C LEU A 89 1.345 -1.068 -0.265 1.00 0.00 C ATOM 1321 O LEU A 89 0.982 -0.429 0.723 1.00 0.00 O ATOM 1322 CB LEU A 89 3.400 -2.193 0.559 1.00 0.00 C ATOM 1323 CG LEU A 89 2.624 -3.488 0.806 1.00 0.00 C ATOM 1324 CD1 LEU A 89 2.878 -4.494 -0.303 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.989 -4.076 2.149 1.00 0.00 C ATOM 0 H LEU A 89 3.818 0.331 0.326 1.00 0.00 H new ATOM 0 HA LEU A 89 2.945 -1.791 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.427 -2.446 0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.441 -1.627 1.490 1.00 0.00 H new ATOM 0 HG LEU A 89 1.560 -3.250 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.315 -5.406 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.560 -4.072 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.942 -4.727 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.428 -4.997 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.057 -4.293 2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.746 -3.363 2.937 1.00 0.00 H new ATOM 1337 N VAL A 90 0.497 -1.579 -1.143 1.00 0.00 N ATOM 1338 CA VAL A 90 -0.940 -1.407 -0.996 1.00 0.00 C ATOM 1339 C VAL A 90 -1.679 -2.723 -1.185 1.00 0.00 C ATOM 1340 O VAL A 90 -1.180 -3.642 -1.839 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.505 -0.371 -1.996 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -0.971 1.020 -1.701 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.188 -0.769 -3.430 1.00 0.00 C ATOM 0 H VAL A 90 0.778 -2.115 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.099 -1.042 0.019 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.588 -0.353 -1.877 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.384 1.728 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.261 1.315 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.116 1.017 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.596 -0.024 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.107 -0.828 -3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.633 -1.741 -3.645 1.00 0.00 H new ATOM 1353 N VAL A 91 -2.859 -2.802 -0.594 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.727 -3.952 -0.750 1.00 0.00 C ATOM 1355 C VAL A 91 -5.168 -3.480 -0.901 1.00 0.00 C ATOM 1356 O VAL A 91 -5.562 -2.465 -0.316 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.616 -4.923 0.457 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.128 -4.275 1.735 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.357 -6.228 0.181 1.00 0.00 C ATOM 0 H VAL A 91 -3.240 -2.071 0.006 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.415 -4.495 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.560 -5.154 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.037 -4.979 2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.540 -3.383 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.174 -3.997 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.263 -6.889 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.411 -6.017 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.927 -6.712 -0.696 1.00 0.00 H new ATOM 1369 N ASP A 92 -5.929 -4.184 -1.722 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.357 -3.934 -1.846 1.00 0.00 C ATOM 1371 C ASP A 92 -8.045 -4.213 -0.517 1.00 0.00 C ATOM 1372 O ASP A 92 -8.036 -5.346 -0.040 1.00 0.00 O ATOM 1373 CB ASP A 92 -7.966 -4.827 -2.931 1.00 0.00 C ATOM 1374 CG ASP A 92 -7.505 -4.467 -4.330 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -6.316 -4.684 -4.649 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -8.337 -3.981 -5.124 1.00 0.00 O ATOM 0 H ASP A 92 -5.581 -4.937 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.504 -2.890 -2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.706 -5.865 -2.726 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.053 -4.755 -2.884 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.652 -3.184 0.102 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.309 -3.313 1.412 1.00 0.00 C ATOM 1383 C PRO A 93 -10.411 -4.363 1.403 1.00 0.00 C ATOM 1384 O PRO A 93 -10.758 -4.929 2.440 1.00 0.00 O ATOM 1385 CB PRO A 93 -9.895 -1.922 1.664 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.101 -1.010 0.795 1.00 0.00 C ATOM 1387 CD PRO A 93 -8.744 -1.812 -0.423 1.00 0.00 C ATOM 0 HA PRO A 93 -8.612 -3.637 2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -10.954 -1.887 1.410 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -9.810 -1.641 2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.679 -0.126 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.206 -0.661 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.504 -1.727 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.802 -1.483 -0.861 1.00 0.00 H new ATOM 1395 N GLU A 94 -10.958 -4.608 0.221 1.00 0.00 N ATOM 1396 CA GLU A 94 -11.977 -5.625 0.039 1.00 0.00 C ATOM 1397 C GLU A 94 -11.374 -7.009 0.241 1.00 0.00 C ATOM 1398 O GLU A 94 -11.930 -7.843 0.953 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.584 -5.519 -1.362 1.00 0.00 C ATOM 1400 CG GLU A 94 -13.043 -4.116 -1.723 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.086 -3.580 -0.768 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -15.284 -3.878 -0.960 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -13.715 -2.845 0.173 1.00 0.00 O ATOM 0 H GLU A 94 -10.708 -4.109 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 94 -12.764 -5.469 0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.847 -5.851 -2.094 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.433 -6.199 -1.433 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.183 -3.447 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.450 -4.120 -2.734 1.00 0.00 H new ATOM 1410 N THR A 95 -10.227 -7.241 -0.385 1.00 0.00 N ATOM 1411 CA THR A 95 -9.516 -8.501 -0.244 1.00 0.00 C ATOM 1412 C THR A 95 -8.881 -8.624 1.138 1.00 0.00 C ATOM 1413 O THR A 95 -8.879 -9.699 1.745 1.00 0.00 O ATOM 1414 CB THR A 95 -8.423 -8.631 -1.312 1.00 0.00 C ATOM 1415 OG1 THR A 95 -9.008 -8.527 -2.615 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.698 -9.957 -1.175 1.00 0.00 C ATOM 0 H THR A 95 -9.769 -6.567 -0.998 1.00 0.00 H new ATOM 0 HA THR A 95 -10.245 -9.301 -0.372 1.00 0.00 H new ATOM 0 HB THR A 95 -7.701 -7.827 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.299 -8.448 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.926 -10.031 -1.941 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.237 -10.020 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.409 -10.774 -1.296 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.365 -7.506 1.630 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.688 -7.453 2.921 1.00 0.00 C ATOM 1426 C ASP A 96 -8.604 -7.926 4.043 1.00 0.00 C ATOM 1427 O ASP A 96 -8.150 -8.534 5.012 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.214 -6.025 3.189 1.00 0.00 C ATOM 1429 CG ASP A 96 -6.631 -5.847 4.573 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.430 -6.128 4.760 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.366 -5.391 5.471 1.00 0.00 O ATOM 0 H ASP A 96 -8.403 -6.609 1.146 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.828 -8.122 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.464 -5.751 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.052 -5.340 3.063 1.00 0.00 H new ATOM 1436 N GLU A 97 -9.900 -7.690 3.875 1.00 0.00 N ATOM 1437 CA GLU A 97 -10.888 -8.083 4.865 1.00 0.00 C ATOM 1438 C GLU A 97 -10.819 -9.589 5.130 1.00 0.00 C ATOM 1439 O GLU A 97 -10.832 -10.023 6.282 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.277 -7.684 4.378 1.00 0.00 C ATOM 1441 CG GLU A 97 -13.376 -7.896 5.401 1.00 0.00 C ATOM 1442 CD GLU A 97 -13.109 -7.195 6.720 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -12.485 -6.113 6.717 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -13.539 -7.719 7.769 1.00 0.00 O ATOM 0 H GLU A 97 -10.290 -7.225 3.055 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.677 -7.571 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.261 -6.633 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.514 -8.257 3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -14.320 -7.537 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -13.494 -8.964 5.582 1.00 0.00 H new ATOM 1451 N GLN A 98 -10.741 -10.386 4.066 1.00 0.00 N ATOM 1452 CA GLN A 98 -10.577 -11.831 4.213 1.00 0.00 C ATOM 1453 C GLN A 98 -9.170 -12.159 4.679 1.00 0.00 C ATOM 1454 O GLN A 98 -8.975 -12.915 5.631 1.00 0.00 O ATOM 1455 CB GLN A 98 -10.824 -12.578 2.895 1.00 0.00 C ATOM 1456 CG GLN A 98 -12.240 -12.474 2.358 1.00 0.00 C ATOM 1457 CD GLN A 98 -12.531 -11.131 1.727 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -13.652 -10.632 1.777 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -11.522 -10.547 1.110 1.00 0.00 N ATOM 0 H GLN A 98 -10.788 -10.060 3.101 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.314 -12.153 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -10.136 -12.194 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -10.582 -13.631 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -12.402 -13.260 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -12.945 -12.649 3.170 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -10.606 -10.996 1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.657 -9.646 0.651 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.195 -11.557 4.009 1.00 0.00 N ATOM 1469 CA LEU A 99 -6.793 -11.929 4.177 1.00 0.00 C ATOM 1470 C LEU A 99 -6.309 -11.753 5.620 1.00 0.00 C ATOM 1471 O LEU A 99 -5.582 -12.601 6.136 1.00 0.00 O ATOM 1472 CB LEU A 99 -5.898 -11.137 3.218 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.198 -11.326 1.723 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.071 -10.745 0.884 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -6.421 -12.797 1.379 1.00 0.00 C ATOM 0 H LEU A 99 -8.350 -10.804 3.339 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.721 -12.990 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.987 -10.077 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.861 -11.419 3.401 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.120 -10.792 1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.295 -10.885 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.971 -9.680 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.137 -11.252 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.631 -12.894 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.526 -13.368 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.266 -13.181 1.951 1.00 0.00 H new ATOM 1487 N GLN A 100 -6.717 -10.667 6.271 1.00 0.00 N ATOM 1488 CA GLN A 100 -6.305 -10.412 7.654 1.00 0.00 C ATOM 1489 C GLN A 100 -6.750 -11.541 8.580 1.00 0.00 C ATOM 1490 O GLN A 100 -6.012 -11.948 9.475 1.00 0.00 O ATOM 1491 CB GLN A 100 -6.870 -9.083 8.157 1.00 0.00 C ATOM 1492 CG GLN A 100 -6.250 -7.860 7.504 1.00 0.00 C ATOM 1493 CD GLN A 100 -4.757 -7.740 7.751 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -4.240 -8.169 8.787 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -4.054 -7.150 6.800 1.00 0.00 N ATOM 0 H GLN A 100 -7.327 -9.954 5.871 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.216 -10.361 7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.946 -9.069 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.721 -9.021 9.235 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.432 -7.899 6.430 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.747 -6.965 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.519 -6.809 5.959 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.046 -7.035 6.907 1.00 0.00 H new ATOM 1504 N LYS A 101 -7.948 -12.065 8.344 1.00 0.00 N ATOM 1505 CA LYS A 101 -8.499 -13.116 9.195 1.00 0.00 C ATOM 1506 C LYS A 101 -7.817 -14.448 8.901 1.00 0.00 C ATOM 1507 O LYS A 101 -7.837 -15.367 9.719 1.00 0.00 O ATOM 1508 CB LYS A 101 -10.008 -13.250 8.981 1.00 0.00 C ATOM 1509 CG LYS A 101 -10.754 -11.925 9.010 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.254 -12.132 8.891 1.00 0.00 C ATOM 1511 CE LYS A 101 -12.953 -10.868 8.415 1.00 0.00 C ATOM 1512 NZ LYS A 101 -12.733 -9.715 9.326 1.00 0.00 N ATOM 0 H LYS A 101 -8.554 -11.782 7.574 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.315 -12.842 10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.187 -13.736 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.418 -13.904 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.530 -11.400 9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.406 -11.292 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.456 -12.946 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.659 -12.432 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.594 -10.612 7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.023 -11.059 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.285 -8.899 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.037 -9.969 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.723 -9.469 9.336 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.204 -14.530 7.729 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.532 -15.744 7.295 1.00 0.00 C ATOM 1528 C LEU A 102 -5.119 -15.815 7.871 1.00 0.00 C ATOM 1529 O LEU A 102 -4.424 -16.820 7.720 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.489 -15.801 5.766 1.00 0.00 C ATOM 1531 CG LEU A 102 -7.855 -15.698 5.080 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -7.690 -15.524 3.578 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.705 -16.924 5.382 1.00 0.00 C ATOM 0 H LEU A 102 -7.159 -13.763 7.058 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.093 -16.602 7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.855 -14.992 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.016 -16.736 5.465 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.366 -14.820 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.672 -15.453 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.125 -14.614 3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.154 -16.381 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.670 -16.829 4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.197 -17.817 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.858 -17.005 6.458 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.707 -14.732 8.530 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.409 -14.691 9.181 1.00 0.00 C ATOM 1547 C GLY A 103 -2.266 -14.554 8.196 1.00 0.00 C ATOM 1548 O GLY A 103 -1.229 -15.201 8.341 1.00 0.00 O ATOM 0 H GLY A 103 -5.255 -13.877 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.384 -13.855 9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.272 -15.600 9.767 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.456 -13.711 7.191 1.00 0.00 N ATOM 1553 CA VAL A 104 -1.466 -13.521 6.152 1.00 0.00 C ATOM 1554 C VAL A 104 -0.488 -12.402 6.508 1.00 0.00 C ATOM 1555 O VAL A 104 -0.704 -11.654 7.461 1.00 0.00 O ATOM 1556 CB VAL A 104 -2.154 -13.182 4.821 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -3.196 -14.234 4.476 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.774 -11.792 4.866 1.00 0.00 C ATOM 0 H VAL A 104 -3.297 -13.145 7.077 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.908 -14.453 6.056 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.398 -13.182 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.673 -13.977 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.714 -15.208 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.949 -14.272 5.263 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.254 -11.577 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.516 -11.750 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.996 -11.053 5.055 1.00 0.00 H new ATOM 1568 N GLN A 105 0.585 -12.297 5.733 1.00 0.00 N ATOM 1569 CA GLN A 105 1.567 -11.235 5.918 1.00 0.00 C ATOM 1570 C GLN A 105 1.760 -10.465 4.611 1.00 0.00 C ATOM 1571 O GLN A 105 2.677 -10.749 3.837 1.00 0.00 O ATOM 1572 CB GLN A 105 2.906 -11.810 6.389 1.00 0.00 C ATOM 1573 CG GLN A 105 2.812 -12.645 7.654 1.00 0.00 C ATOM 1574 CD GLN A 105 4.171 -13.042 8.187 1.00 0.00 C ATOM 1575 OE1 GLN A 105 5.147 -12.302 8.055 1.00 0.00 O ATOM 1576 NE2 GLN A 105 4.250 -14.217 8.786 1.00 0.00 N ATOM 0 H GLN A 105 0.798 -12.937 4.968 1.00 0.00 H new ATOM 0 HA GLN A 105 1.196 -10.553 6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.326 -12.423 5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.602 -10.989 6.560 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.276 -12.082 8.418 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.228 -13.543 7.451 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.418 -14.801 8.875 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.143 -14.540 9.159 1.00 0.00 H new ATOM 1585 N VAL A 106 0.873 -9.509 4.363 1.00 0.00 N ATOM 1586 CA VAL A 106 0.885 -8.745 3.117 1.00 0.00 C ATOM 1587 C VAL A 106 2.113 -7.839 2.990 1.00 0.00 C ATOM 1588 O VAL A 106 2.430 -7.390 1.890 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.393 -7.882 2.941 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.646 -8.719 3.141 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.395 -6.674 3.870 1.00 0.00 C ATOM 0 H VAL A 106 0.132 -9.242 5.011 1.00 0.00 H new ATOM 0 HA VAL A 106 0.921 -9.496 2.328 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.390 -7.506 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.527 -8.091 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.665 -9.526 2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.645 -9.141 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.307 -6.097 3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.351 -7.011 4.906 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.471 -6.048 3.655 1.00 0.00 H new ATOM 1601 N ARG A 107 2.803 -7.576 4.107 1.00 0.00 N ATOM 1602 CA ARG A 107 3.837 -6.539 4.131 1.00 0.00 C ATOM 1603 C ARG A 107 4.970 -6.821 3.150 1.00 0.00 C ATOM 1604 O ARG A 107 5.410 -5.923 2.440 1.00 0.00 O ATOM 1605 CB ARG A 107 4.431 -6.364 5.530 1.00 0.00 C ATOM 1606 CG ARG A 107 5.339 -5.148 5.633 1.00 0.00 C ATOM 1607 CD ARG A 107 6.599 -5.441 6.428 1.00 0.00 C ATOM 1608 NE ARG A 107 6.326 -5.700 7.842 1.00 0.00 N ATOM 1609 CZ ARG A 107 7.281 -5.834 8.761 1.00 0.00 C ATOM 1610 NH1 ARG A 107 8.558 -5.764 8.403 1.00 0.00 N ATOM 1611 NH2 ARG A 107 6.963 -6.040 10.034 1.00 0.00 N ATOM 0 H ARG A 107 2.665 -8.061 4.994 1.00 0.00 H new ATOM 0 HA ARG A 107 3.335 -5.620 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.622 -6.271 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.996 -7.258 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.612 -4.814 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.796 -4.329 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 107 7.104 -6.305 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.282 -4.596 6.343 1.00 0.00 H new ATOM 0 HE ARG A 107 5.354 -5.782 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.806 -5.608 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 107 9.291 -5.866 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.983 -6.096 10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.698 -6.142 10.733 1.00 0.00 H new ATOM 1625 N GLU A 108 5.448 -8.052 3.105 1.00 0.00 N ATOM 1626 CA GLU A 108 6.555 -8.361 2.213 1.00 0.00 C ATOM 1627 C GLU A 108 6.673 -9.861 1.946 1.00 0.00 C ATOM 1628 O GLU A 108 7.297 -10.269 0.972 1.00 0.00 O ATOM 1629 CB GLU A 108 7.869 -7.843 2.810 1.00 0.00 C ATOM 1630 CG GLU A 108 9.046 -7.897 1.847 1.00 0.00 C ATOM 1631 CD GLU A 108 10.348 -7.484 2.498 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.568 -6.269 2.676 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.165 -8.375 2.824 1.00 0.00 O ATOM 0 H GLU A 108 5.100 -8.835 3.658 1.00 0.00 H new ATOM 0 HA GLU A 108 6.356 -7.866 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.727 -6.813 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.110 -8.429 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.145 -8.910 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.846 -7.245 0.997 1.00 0.00 H new ATOM 1640 N GLU A 109 6.066 -10.678 2.803 1.00 0.00 N ATOM 1641 CA GLU A 109 6.203 -12.133 2.714 1.00 0.00 C ATOM 1642 C GLU A 109 5.816 -12.651 1.329 1.00 0.00 C ATOM 1643 O GLU A 109 6.550 -13.428 0.718 1.00 0.00 O ATOM 1644 CB GLU A 109 5.330 -12.802 3.780 1.00 0.00 C ATOM 1645 CG GLU A 109 5.535 -14.305 3.904 1.00 0.00 C ATOM 1646 CD GLU A 109 6.914 -14.675 4.416 1.00 0.00 C ATOM 1647 OE1 GLU A 109 7.103 -14.713 5.651 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.811 -14.941 3.592 1.00 0.00 O ATOM 0 H GLU A 109 5.473 -10.358 3.569 1.00 0.00 H new ATOM 0 HA GLU A 109 7.250 -12.382 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.535 -12.338 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.283 -12.608 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.782 -14.715 4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.378 -14.769 2.930 1.00 0.00 H new ATOM 1655 N LEU A 110 4.681 -12.196 0.823 1.00 0.00 N ATOM 1656 CA LEU A 110 4.182 -12.654 -0.473 1.00 0.00 C ATOM 1657 C LEU A 110 4.918 -11.986 -1.622 1.00 0.00 C ATOM 1658 O LEU A 110 4.881 -12.461 -2.752 1.00 0.00 O ATOM 1659 CB LEU A 110 2.680 -12.411 -0.586 1.00 0.00 C ATOM 1660 CG LEU A 110 1.807 -13.525 -0.006 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.985 -14.808 -0.805 1.00 0.00 C ATOM 1662 CD2 LEU A 110 2.134 -13.763 1.464 1.00 0.00 C ATOM 0 H LEU A 110 4.085 -11.510 1.286 1.00 0.00 H new ATOM 0 HA LEU A 110 4.369 -13.726 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.438 -11.477 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.425 -12.278 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 110 0.765 -13.212 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.357 -15.591 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.696 -14.634 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.029 -15.119 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.500 -14.560 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.181 -14.052 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.955 -12.848 2.029 1.00 0.00 H new ATOM 1674 N LEU A 111 5.581 -10.881 -1.330 1.00 0.00 N ATOM 1675 CA LEU A 111 6.400 -10.200 -2.321 1.00 0.00 C ATOM 1676 C LEU A 111 7.752 -10.893 -2.406 1.00 0.00 C ATOM 1677 O LEU A 111 8.463 -10.805 -3.404 1.00 0.00 O ATOM 1678 CB LEU A 111 6.591 -8.737 -1.926 1.00 0.00 C ATOM 1679 CG LEU A 111 5.303 -7.986 -1.594 1.00 0.00 C ATOM 1680 CD1 LEU A 111 5.627 -6.605 -1.061 1.00 0.00 C ATOM 1681 CD2 LEU A 111 4.407 -7.899 -2.818 1.00 0.00 C ATOM 0 H LEU A 111 5.569 -10.434 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 111 5.905 -10.238 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.253 -8.693 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.096 -8.219 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 111 4.765 -8.535 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.701 -6.079 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.230 -6.696 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.183 -6.046 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.494 -7.361 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.930 -7.370 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.154 -8.904 -3.156 1.00 0.00 H new ATOM 1693 N ARG A 112 8.077 -11.587 -1.331 1.00 0.00 N ATOM 1694 CA ARG A 112 9.332 -12.295 -1.190 1.00 0.00 C ATOM 1695 C ARG A 112 9.220 -13.692 -1.785 1.00 0.00 C ATOM 1696 O ARG A 112 10.036 -14.096 -2.615 1.00 0.00 O ATOM 1697 CB ARG A 112 9.667 -12.374 0.299 1.00 0.00 C ATOM 1698 CG ARG A 112 10.979 -13.056 0.631 1.00 0.00 C ATOM 1699 CD ARG A 112 11.169 -13.126 2.136 1.00 0.00 C ATOM 1700 NE ARG A 112 11.032 -11.807 2.759 1.00 0.00 N ATOM 1701 CZ ARG A 112 10.278 -11.554 3.834 1.00 0.00 C ATOM 1702 NH1 ARG A 112 9.578 -12.524 4.414 1.00 0.00 N ATOM 1703 NH2 ARG A 112 10.214 -10.321 4.315 1.00 0.00 N ATOM 0 H ARG A 112 7.465 -11.675 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 112 10.123 -11.768 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.689 -11.362 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.862 -12.903 0.808 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.992 -14.061 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 112 11.806 -12.509 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 112 10.436 -13.809 2.564 1.00 0.00 H new ATOM 0 HD3 ARG A 112 12.154 -13.534 2.360 1.00 0.00 H new ATOM 0 HE ARG A 112 11.546 -11.030 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 112 9.613 -13.472 4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 112 9.006 -12.320 5.234 1.00 0.00 H new ATOM 0 HH21 ARG A 112 10.738 -9.570 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 112 9.640 -10.122 5.135 1.00 0.00 H new ATOM 1717 N ALA A 113 8.195 -14.417 -1.357 1.00 0.00 N ATOM 1718 CA ALA A 113 7.988 -15.786 -1.800 1.00 0.00 C ATOM 1719 C ALA A 113 7.008 -15.862 -2.968 1.00 0.00 C ATOM 1720 O ALA A 113 5.805 -16.061 -2.786 1.00 0.00 O ATOM 1721 CB ALA A 113 7.510 -16.650 -0.649 1.00 0.00 C ATOM 0 H ALA A 113 7.492 -14.076 -0.701 1.00 0.00 H new ATOM 0 HA ALA A 113 8.947 -16.165 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.360 -17.671 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.257 -16.644 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.569 -16.256 -0.265 1.00 0.00 H new ATOM 1727 N GLN A 114 7.543 -15.709 -4.163 1.00 0.00 N ATOM 1728 CA GLN A 114 6.786 -15.883 -5.392 1.00 0.00 C ATOM 1729 C GLN A 114 7.438 -16.985 -6.205 1.00 0.00 C ATOM 1730 O GLN A 114 7.842 -16.788 -7.355 1.00 0.00 O ATOM 1731 CB GLN A 114 6.735 -14.577 -6.186 1.00 0.00 C ATOM 1732 CG GLN A 114 5.742 -13.572 -5.628 1.00 0.00 C ATOM 1733 CD GLN A 114 4.304 -14.042 -5.763 1.00 0.00 C ATOM 1734 OE1 GLN A 114 3.954 -14.741 -6.714 1.00 0.00 O ATOM 1735 NE2 GLN A 114 3.465 -13.682 -4.805 1.00 0.00 N ATOM 0 H GLN A 114 8.521 -15.459 -4.312 1.00 0.00 H new ATOM 0 HA GLN A 114 5.758 -16.160 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.728 -14.128 -6.197 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.474 -14.799 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.965 -13.391 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.861 -12.621 -6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.792 -13.102 -4.032 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.492 -13.985 -4.839 1.00 0.00 H new ATOM 1744 N GLU A 115 7.537 -18.151 -5.589 1.00 0.00 N ATOM 1745 CA GLU A 115 8.326 -19.241 -6.127 1.00 0.00 C ATOM 1746 C GLU A 115 7.449 -20.389 -6.593 1.00 0.00 C ATOM 1747 O GLU A 115 6.312 -20.543 -6.143 1.00 0.00 O ATOM 1748 CB GLU A 115 9.299 -19.737 -5.057 1.00 0.00 C ATOM 1749 CG GLU A 115 8.608 -20.223 -3.788 1.00 0.00 C ATOM 1750 CD GLU A 115 9.582 -20.623 -2.699 1.00 0.00 C ATOM 1751 OE1 GLU A 115 10.804 -20.639 -2.959 1.00 0.00 O ATOM 1752 OE2 GLU A 115 9.130 -20.913 -1.570 1.00 0.00 O ATOM 0 H GLU A 115 7.074 -18.366 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 115 8.876 -18.869 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.898 -20.549 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.987 -18.932 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.955 -19.435 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.973 -21.075 -4.030 1.00 0.00 H new ATOM 1759 N ALA A 116 7.986 -21.179 -7.510 1.00 0.00 N ATOM 1760 CA ALA A 116 7.346 -22.406 -7.940 1.00 0.00 C ATOM 1761 C ALA A 116 8.219 -23.594 -7.565 1.00 0.00 C ATOM 1762 O ALA A 116 9.299 -23.784 -8.127 1.00 0.00 O ATOM 1763 CB ALA A 116 7.088 -22.381 -9.440 1.00 0.00 C ATOM 0 H ALA A 116 8.874 -20.986 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 116 6.384 -22.499 -7.437 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.607 -23.311 -9.742 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.438 -21.541 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.034 -22.273 -9.970 1.00 0.00 H new ATOM 1769 N PRO A 117 7.779 -24.387 -6.575 1.00 0.00 N ATOM 1770 CA PRO A 117 8.529 -25.554 -6.104 1.00 0.00 C ATOM 1771 C PRO A 117 8.555 -26.685 -7.128 1.00 0.00 C ATOM 1772 O PRO A 117 7.678 -27.550 -7.143 1.00 0.00 O ATOM 1773 CB PRO A 117 7.771 -25.984 -4.848 1.00 0.00 C ATOM 1774 CG PRO A 117 6.387 -25.465 -5.033 1.00 0.00 C ATOM 1775 CD PRO A 117 6.516 -24.202 -5.836 1.00 0.00 C ATOM 0 HA PRO A 117 9.577 -25.315 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 117 7.774 -27.068 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 117 8.230 -25.571 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 117 5.764 -26.194 -5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 117 5.913 -25.268 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 117 5.672 -24.069 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.552 -23.321 -5.195 1.00 0.00 H new ATOM 1783 N GLY A 118 9.568 -26.675 -7.981 1.00 0.00 N ATOM 1784 CA GLY A 118 9.689 -27.695 -8.999 1.00 0.00 C ATOM 1785 C GLY A 118 11.046 -27.688 -9.670 1.00 0.00 C ATOM 1786 O GLY A 118 11.904 -26.869 -9.332 1.00 0.00 O ATOM 0 H GLY A 118 10.310 -25.976 -7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 118 9.514 -28.673 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.915 -27.546 -9.752 1.00 0.00 H new ATOM 1790 N GLN A 119 11.229 -28.619 -10.607 1.00 0.00 N ATOM 1791 CA GLN A 119 12.458 -28.740 -11.402 1.00 0.00 C ATOM 1792 C GLN A 119 13.678 -29.064 -10.537 1.00 0.00 C ATOM 1793 O GLN A 119 14.817 -28.855 -10.956 1.00 0.00 O ATOM 1794 CB GLN A 119 12.711 -27.467 -12.212 1.00 0.00 C ATOM 1795 CG GLN A 119 11.586 -27.139 -13.176 1.00 0.00 C ATOM 1796 CD GLN A 119 11.856 -25.895 -13.993 1.00 0.00 C ATOM 1797 OE1 GLN A 119 13.003 -25.578 -14.313 1.00 0.00 O ATOM 1798 NE2 GLN A 119 10.797 -25.176 -14.330 1.00 0.00 N ATOM 0 H GLN A 119 10.524 -29.318 -10.840 1.00 0.00 H new ATOM 0 HA GLN A 119 12.309 -29.574 -12.087 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.850 -26.630 -11.528 1.00 0.00 H new ATOM 0 HB3 GLN A 119 13.640 -27.579 -12.772 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.433 -27.983 -13.848 1.00 0.00 H new ATOM 0 HG3 GLN A 119 10.661 -27.006 -12.615 1.00 0.00 H new ATOM 0 HE21 GLN A 119 9.865 -25.476 -14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 119 10.913 -24.322 -14.876 1.00 0.00 H new ATOM 1807 N ALA A 120 13.441 -29.596 -9.349 1.00 0.00 N ATOM 1808 CA ALA A 120 14.521 -29.965 -8.446 1.00 0.00 C ATOM 1809 C ALA A 120 14.027 -30.974 -7.424 1.00 0.00 C ATOM 1810 O ALA A 120 14.298 -32.175 -7.596 1.00 0.00 O ATOM 1811 CB ALA A 120 15.092 -28.735 -7.752 1.00 0.00 C ATOM 1812 OXT ALA A 120 13.329 -30.565 -6.475 1.00 0.00 O ATOM 0 H ALA A 120 12.506 -29.783 -8.986 1.00 0.00 H new ATOM 0 HA ALA A 120 15.319 -30.422 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.898 -29.036 -7.082 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.481 -28.043 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.307 -28.244 -7.177 1.00 0.00 H new TER 1818 ALA A 120