USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=12 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 10 MET CE :methyl 172:sc= -0.456 (180deg=-0.766) USER MOD Set 1.2: A 95 THR OG1 : rot 100:sc= -0.0411 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot -95:sc= -1.17 USER MOD Single : A 16 CYS SG : rot 38:sc= 0.0216 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.811 K(o=0.81,f=-6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.844! C(o=-0.84!,f=-4.9!) USER MOD Single : A 29 HIS : no HE2:sc= -4.07! C(o=-4.1!,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0.325 K(o=0.32,f=-3!) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 SER OG : rot -104:sc= 0.846 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.464 K(o=0.46,f=-2.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -2.95! USER MOD Single : A 72 HIS : no HD1:sc= -0.604 K(o=-0.6,f=0.11) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 74 GLN : amide:sc= -0.38 K(o=-0.38,f=-4.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 101 LYS NZ :NH3+ -133:sc= -0.25 (180deg=-1.84!) USER MOD Single : A 105 GLN : amide:sc= -0.608 K(o=-0.61,f=-4.8!) USER MOD Single : A 114 GLN : amide:sc= -4.82! C(o=-4.8!,f=-4.3!) USER MOD Single : A 119 GLN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 4 -13.800 -24.435 -0.451 1.00 0.00 N ATOM 2 CA GLY A 4 -13.459 -24.658 0.974 1.00 0.00 C ATOM 3 C GLY A 4 -13.043 -23.371 1.649 1.00 0.00 C ATOM 4 O GLY A 4 -13.841 -22.440 1.774 1.00 0.00 O ATOM 0 HA2 GLY A 4 -14.318 -25.082 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.651 -25.386 1.047 1.00 0.00 H new ATOM 10 N ILE A 5 -11.794 -23.312 2.087 1.00 0.00 N ATOM 11 CA ILE A 5 -11.251 -22.100 2.678 1.00 0.00 C ATOM 12 C ILE A 5 -9.882 -21.800 2.089 1.00 0.00 C ATOM 13 O ILE A 5 -9.035 -22.687 1.975 1.00 0.00 O ATOM 14 CB ILE A 5 -11.101 -22.203 4.210 1.00 0.00 C ATOM 15 CG1 ILE A 5 -12.423 -22.622 4.867 1.00 0.00 C ATOM 16 CG2 ILE A 5 -10.623 -20.870 4.777 1.00 0.00 C ATOM 17 CD1 ILE A 5 -12.311 -22.872 6.357 1.00 0.00 C ATOM 0 H ILE A 5 -11.137 -24.091 2.044 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.959 -21.303 2.452 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.359 -22.970 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.167 -21.845 4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.788 -23.527 4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.520 -20.951 5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.659 -20.613 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.349 -20.092 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.284 -23.164 6.751 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.592 -23.670 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.976 -21.962 6.855 1.00 0.00 H new ATOM 29 N ASP A 6 -9.676 -20.554 1.717 1.00 0.00 N ATOM 30 CA ASP A 6 -8.396 -20.111 1.207 1.00 0.00 C ATOM 31 C ASP A 6 -7.765 -19.142 2.190 1.00 0.00 C ATOM 32 O ASP A 6 -8.383 -18.153 2.585 1.00 0.00 O ATOM 33 CB ASP A 6 -8.561 -19.441 -0.153 1.00 0.00 C ATOM 34 CG ASP A 6 -8.864 -20.425 -1.268 1.00 0.00 C ATOM 35 OD1 ASP A 6 -7.919 -21.027 -1.824 1.00 0.00 O ATOM 36 OD2 ASP A 6 -10.054 -20.601 -1.603 1.00 0.00 O ATOM 0 H ASP A 6 -10.387 -19.824 1.759 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.748 -20.979 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.365 -18.708 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.649 -18.895 -0.396 1.00 0.00 H new ATOM 41 N PRO A 7 -6.533 -19.432 2.612 1.00 0.00 N ATOM 42 CA PRO A 7 -5.820 -18.613 3.590 1.00 0.00 C ATOM 43 C PRO A 7 -5.270 -17.329 2.987 1.00 0.00 C ATOM 44 O PRO A 7 -5.134 -16.318 3.673 1.00 0.00 O ATOM 45 CB PRO A 7 -4.678 -19.524 4.040 1.00 0.00 C ATOM 46 CG PRO A 7 -4.429 -20.437 2.889 1.00 0.00 C ATOM 47 CD PRO A 7 -5.742 -20.593 2.169 1.00 0.00 C ATOM 0 HA PRO A 7 -6.472 -18.285 4.400 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.787 -18.946 4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -4.950 -20.084 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.670 -20.024 2.225 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.060 -21.403 3.234 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.606 -20.594 1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.231 -21.532 2.430 1.00 0.00 H new ATOM 55 N PHE A 8 -4.964 -17.376 1.699 1.00 0.00 N ATOM 56 CA PHE A 8 -4.328 -16.262 1.021 1.00 0.00 C ATOM 57 C PHE A 8 -4.836 -16.155 -0.406 1.00 0.00 C ATOM 58 O PHE A 8 -5.222 -17.158 -1.005 1.00 0.00 O ATOM 59 CB PHE A 8 -2.807 -16.421 1.066 1.00 0.00 C ATOM 60 CG PHE A 8 -2.206 -15.810 2.298 1.00 0.00 C ATOM 61 CD1 PHE A 8 -2.105 -16.528 3.480 1.00 0.00 C ATOM 62 CD2 PHE A 8 -1.782 -14.494 2.282 1.00 0.00 C ATOM 63 CE1 PHE A 8 -1.587 -15.940 4.618 1.00 0.00 C ATOM 64 CE2 PHE A 8 -1.275 -13.900 3.416 1.00 0.00 C ATOM 65 CZ PHE A 8 -1.176 -14.621 4.583 1.00 0.00 C ATOM 0 H PHE A 8 -5.149 -18.181 1.101 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.584 -15.335 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.554 -17.480 1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.369 -15.957 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.434 -17.556 3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.849 -13.924 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.504 -16.509 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.955 -12.869 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.777 -14.156 5.472 1.00 0.00 H new ATOM 75 N THR A 9 -4.825 -14.939 -0.948 1.00 0.00 N ATOM 76 CA THR A 9 -5.485 -14.653 -2.205 1.00 0.00 C ATOM 77 C THR A 9 -5.381 -13.164 -2.509 1.00 0.00 C ATOM 78 O THR A 9 -5.405 -12.348 -1.589 1.00 0.00 O ATOM 79 CB THR A 9 -6.974 -15.074 -2.164 1.00 0.00 C ATOM 80 OG1 THR A 9 -7.610 -14.811 -3.424 1.00 0.00 O ATOM 81 CG2 THR A 9 -7.727 -14.350 -1.053 1.00 0.00 C ATOM 0 H THR A 9 -4.360 -14.135 -0.527 1.00 0.00 H new ATOM 0 HA THR A 9 -4.991 -15.226 -2.989 1.00 0.00 H new ATOM 0 HB THR A 9 -7.003 -16.145 -1.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.550 -15.085 -3.380 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.769 -14.669 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.274 -14.589 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.677 -13.274 -1.221 1.00 0.00 H new ATOM 89 N MET A 10 -5.203 -12.835 -3.786 1.00 0.00 N ATOM 90 CA MET A 10 -5.196 -11.443 -4.258 1.00 0.00 C ATOM 91 C MET A 10 -4.294 -10.564 -3.402 1.00 0.00 C ATOM 92 O MET A 10 -4.682 -9.471 -2.989 1.00 0.00 O ATOM 93 CB MET A 10 -6.613 -10.866 -4.263 1.00 0.00 C ATOM 94 CG MET A 10 -7.544 -11.520 -5.267 1.00 0.00 C ATOM 95 SD MET A 10 -9.215 -10.849 -5.202 1.00 0.00 S ATOM 96 CE MET A 10 -8.897 -9.119 -5.545 1.00 0.00 C ATOM 0 H MET A 10 -5.059 -13.522 -4.526 1.00 0.00 H new ATOM 0 HA MET A 10 -4.805 -11.451 -5.275 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.040 -10.971 -3.266 1.00 0.00 H new ATOM 0 HB3 MET A 10 -6.558 -9.798 -4.476 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.141 -11.386 -6.271 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.580 -12.593 -5.078 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.843 -8.595 -5.680 1.00 0.00 H new ATOM 0 HE2 MET A 10 -8.353 -8.677 -4.710 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.301 -9.032 -6.454 1.00 0.00 H new ATOM 106 N LEU A 11 -3.089 -11.043 -3.142 1.00 0.00 N ATOM 107 CA LEU A 11 -2.182 -10.353 -2.242 1.00 0.00 C ATOM 108 C LEU A 11 -1.616 -9.086 -2.880 1.00 0.00 C ATOM 109 O LEU A 11 -1.601 -8.948 -4.107 1.00 0.00 O ATOM 110 CB LEU A 11 -1.059 -11.289 -1.783 1.00 0.00 C ATOM 111 CG LEU A 11 -1.455 -12.321 -0.731 1.00 0.00 C ATOM 112 CD1 LEU A 11 -2.395 -11.707 0.292 1.00 0.00 C ATOM 113 CD2 LEU A 11 -2.071 -13.541 -1.393 1.00 0.00 C ATOM 0 H LEU A 11 -2.717 -11.905 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.752 -10.048 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.669 -11.815 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.245 -10.684 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.559 -12.646 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.666 -12.458 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.899 -10.871 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.295 -11.350 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.348 -14.268 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.959 -13.243 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.348 -13.989 -2.075 1.00 0.00 H new ATOM 125 N PRO A 12 -1.160 -8.141 -2.042 1.00 0.00 N ATOM 126 CA PRO A 12 -0.666 -6.835 -2.489 1.00 0.00 C ATOM 127 C PRO A 12 0.591 -6.916 -3.345 1.00 0.00 C ATOM 128 O PRO A 12 1.140 -7.993 -3.590 1.00 0.00 O ATOM 129 CB PRO A 12 -0.346 -6.104 -1.183 1.00 0.00 C ATOM 130 CG PRO A 12 -0.132 -7.184 -0.196 1.00 0.00 C ATOM 131 CD PRO A 12 -1.095 -8.264 -0.578 1.00 0.00 C ATOM 0 HA PRO A 12 -1.405 -6.341 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.541 -5.479 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.165 -5.450 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.896 -7.545 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.318 -6.832 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.742 -9.248 -0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.071 -8.117 -0.116 1.00 0.00 H new ATOM 139 N ARG A 13 1.044 -5.757 -3.780 1.00 0.00 N ATOM 140 CA ARG A 13 2.217 -5.655 -4.626 1.00 0.00 C ATOM 141 C ARG A 13 3.008 -4.409 -4.255 1.00 0.00 C ATOM 142 O ARG A 13 2.433 -3.416 -3.803 1.00 0.00 O ATOM 143 CB ARG A 13 1.818 -5.605 -6.111 1.00 0.00 C ATOM 144 CG ARG A 13 1.022 -4.365 -6.516 1.00 0.00 C ATOM 145 CD ARG A 13 -0.416 -4.406 -6.014 1.00 0.00 C ATOM 146 NE ARG A 13 -1.153 -3.179 -6.324 1.00 0.00 N ATOM 147 CZ ARG A 13 -2.484 -3.075 -6.253 1.00 0.00 C ATOM 148 NH1 ARG A 13 -3.222 -4.133 -5.930 1.00 0.00 N ATOM 149 NH2 ARG A 13 -3.074 -1.916 -6.513 1.00 0.00 N ATOM 0 H ARG A 13 0.611 -4.861 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 13 2.837 -6.538 -4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.722 -5.654 -6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.228 -6.491 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.515 -3.476 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.022 -4.276 -7.602 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.929 -5.257 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.417 -4.564 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.621 -2.357 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.773 -5.028 -5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.237 -4.050 -5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.512 -1.103 -6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.090 -1.837 -6.459 1.00 0.00 H new ATOM 163 N LEU A 14 4.321 -4.467 -4.430 1.00 0.00 N ATOM 164 CA LEU A 14 5.166 -3.311 -4.185 1.00 0.00 C ATOM 165 C LEU A 14 5.185 -2.423 -5.413 1.00 0.00 C ATOM 166 O LEU A 14 5.769 -2.767 -6.441 1.00 0.00 O ATOM 167 CB LEU A 14 6.588 -3.732 -3.807 1.00 0.00 C ATOM 168 CG LEU A 14 6.822 -3.969 -2.311 1.00 0.00 C ATOM 169 CD1 LEU A 14 8.237 -4.465 -2.068 1.00 0.00 C ATOM 170 CD2 LEU A 14 6.569 -2.686 -1.530 1.00 0.00 C ATOM 0 H LEU A 14 4.821 -5.300 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 14 4.752 -2.754 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.835 -4.647 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.281 -2.963 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 14 6.125 -4.732 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.387 -4.628 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.391 -5.402 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 14 8.950 -3.721 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.738 -2.867 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.248 -1.908 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.539 -2.364 -1.683 1.00 0.00 H new ATOM 182 N CYS A 15 4.524 -1.291 -5.298 1.00 0.00 N ATOM 183 CA CYS A 15 4.406 -0.361 -6.395 1.00 0.00 C ATOM 184 C CYS A 15 5.496 0.694 -6.303 1.00 0.00 C ATOM 185 O CYS A 15 5.481 1.543 -5.411 1.00 0.00 O ATOM 186 CB CYS A 15 3.024 0.292 -6.358 1.00 0.00 C ATOM 187 SG CYS A 15 1.663 -0.895 -6.351 1.00 0.00 S ATOM 0 H CYS A 15 4.055 -0.992 -4.443 1.00 0.00 H new ATOM 0 HA CYS A 15 4.523 -0.894 -7.339 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.952 0.920 -5.470 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.918 0.948 -7.222 1.00 0.00 H new ATOM 0 HG CYS A 15 1.237 -1.074 -7.566 1.00 0.00 H new ATOM 193 N CYS A 16 6.461 0.613 -7.200 1.00 0.00 N ATOM 194 CA CYS A 16 7.532 1.587 -7.248 1.00 0.00 C ATOM 195 C CYS A 16 7.200 2.673 -8.261 1.00 0.00 C ATOM 196 O CYS A 16 7.145 2.419 -9.466 1.00 0.00 O ATOM 197 CB CYS A 16 8.855 0.903 -7.599 1.00 0.00 C ATOM 198 SG CYS A 16 8.795 -0.090 -9.108 1.00 0.00 S ATOM 0 H CYS A 16 6.524 -0.120 -7.907 1.00 0.00 H new ATOM 0 HA CYS A 16 7.638 2.049 -6.266 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.627 1.664 -7.708 1.00 0.00 H new ATOM 0 HB3 CYS A 16 9.153 0.264 -6.768 1.00 0.00 H new ATOM 0 HG CYS A 16 8.053 0.509 -9.992 1.00 0.00 H new ATOM 204 N LEU A 17 6.959 3.873 -7.768 1.00 0.00 N ATOM 205 CA LEU A 17 6.633 4.994 -8.630 1.00 0.00 C ATOM 206 C LEU A 17 7.625 6.117 -8.428 1.00 0.00 C ATOM 207 O LEU A 17 8.185 6.286 -7.344 1.00 0.00 O ATOM 208 CB LEU A 17 5.203 5.505 -8.398 1.00 0.00 C ATOM 209 CG LEU A 17 4.816 5.815 -6.953 1.00 0.00 C ATOM 210 CD1 LEU A 17 3.639 6.769 -6.929 1.00 0.00 C ATOM 211 CD2 LEU A 17 4.460 4.543 -6.202 1.00 0.00 C ATOM 0 H LEU A 17 6.983 4.097 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 17 6.692 4.639 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.064 6.410 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.508 4.760 -8.785 1.00 0.00 H new ATOM 0 HG LEU A 17 5.671 6.278 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.368 6.986 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.911 7.695 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.790 6.313 -7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.188 4.790 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.618 4.054 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.318 3.871 -6.198 1.00 0.00 H new ATOM 223 N GLU A 18 7.831 6.883 -9.479 1.00 0.00 N ATOM 224 CA GLU A 18 8.828 7.930 -9.474 1.00 0.00 C ATOM 225 C GLU A 18 8.143 9.284 -9.413 1.00 0.00 C ATOM 226 O GLU A 18 7.030 9.448 -9.910 1.00 0.00 O ATOM 227 CB GLU A 18 9.705 7.809 -10.721 1.00 0.00 C ATOM 228 CG GLU A 18 10.325 6.429 -10.875 1.00 0.00 C ATOM 229 CD GLU A 18 11.194 6.300 -12.106 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.642 6.218 -13.220 1.00 0.00 O ATOM 231 OE2 GLU A 18 12.436 6.258 -11.963 1.00 0.00 O ATOM 0 H GLU A 18 7.315 6.798 -10.355 1.00 0.00 H new ATOM 0 HA GLU A 18 9.467 7.831 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.106 8.034 -11.604 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.498 8.555 -10.675 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.923 6.206 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.531 5.684 -10.919 1.00 0.00 H new ATOM 238 N LYS A 19 8.788 10.241 -8.771 1.00 0.00 N ATOM 239 CA LYS A 19 8.211 11.557 -8.598 1.00 0.00 C ATOM 240 C LYS A 19 8.144 12.292 -9.927 1.00 0.00 C ATOM 241 O LYS A 19 9.137 12.864 -10.378 1.00 0.00 O ATOM 242 CB LYS A 19 9.019 12.383 -7.601 1.00 0.00 C ATOM 243 CG LYS A 19 8.214 13.510 -6.973 1.00 0.00 C ATOM 244 CD LYS A 19 9.104 14.527 -6.284 1.00 0.00 C ATOM 245 CE LYS A 19 9.643 15.548 -7.274 1.00 0.00 C ATOM 246 NZ LYS A 19 10.503 16.560 -6.608 1.00 0.00 N ATOM 0 H LYS A 19 9.715 10.128 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 19 7.201 11.425 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.393 11.728 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.889 12.803 -8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.624 14.007 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.511 13.095 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.540 15.037 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.934 14.016 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.216 15.037 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.811 16.048 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.852 17.239 -7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.950 17.065 -5.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.311 16.086 -6.156 1.00 0.00 H new ATOM 260 N GLY A 20 6.980 12.250 -10.556 1.00 0.00 N ATOM 261 CA GLY A 20 6.777 12.986 -11.783 1.00 0.00 C ATOM 262 C GLY A 20 6.642 14.473 -11.532 1.00 0.00 C ATOM 263 O GLY A 20 6.914 14.944 -10.426 1.00 0.00 O ATOM 0 H GLY A 20 6.171 11.717 -10.237 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.614 12.806 -12.457 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.880 12.619 -12.283 1.00 0.00 H new ATOM 267 N PRO A 21 6.191 15.235 -12.536 1.00 0.00 N ATOM 268 CA PRO A 21 6.057 16.694 -12.433 1.00 0.00 C ATOM 269 C PRO A 21 5.119 17.109 -11.308 1.00 0.00 C ATOM 270 O PRO A 21 5.334 18.117 -10.635 1.00 0.00 O ATOM 271 CB PRO A 21 5.464 17.094 -13.789 1.00 0.00 C ATOM 272 CG PRO A 21 4.863 15.843 -14.328 1.00 0.00 C ATOM 273 CD PRO A 21 5.753 14.739 -13.849 1.00 0.00 C ATOM 0 HA PRO A 21 7.009 17.174 -12.208 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.713 17.876 -13.677 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.232 17.483 -14.457 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.843 15.710 -13.968 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.816 15.866 -15.417 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.219 13.792 -13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.594 14.574 -14.522 1.00 0.00 H new ATOM 281 N ASN A 22 4.099 16.297 -11.090 1.00 0.00 N ATOM 282 CA ASN A 22 3.053 16.607 -10.131 1.00 0.00 C ATOM 283 C ASN A 22 3.233 15.825 -8.833 1.00 0.00 C ATOM 284 O ASN A 22 2.272 15.599 -8.096 1.00 0.00 O ATOM 285 CB ASN A 22 1.675 16.319 -10.745 1.00 0.00 C ATOM 286 CG ASN A 22 1.519 14.882 -11.230 1.00 0.00 C ATOM 287 OD1 ASN A 22 2.496 14.202 -11.560 1.00 0.00 O ATOM 288 ND2 ASN A 22 0.284 14.419 -11.302 1.00 0.00 N ATOM 0 H ASN A 22 3.973 15.407 -11.571 1.00 0.00 H new ATOM 0 HA ASN A 22 3.122 17.667 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.904 16.531 -10.005 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.509 16.998 -11.582 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.113 13.471 -11.639 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.499 15.009 -11.021 1.00 0.00 H new ATOM 295 N GLY A 23 4.470 15.419 -8.556 1.00 0.00 N ATOM 296 CA GLY A 23 4.767 14.727 -7.317 1.00 0.00 C ATOM 297 C GLY A 23 4.110 13.365 -7.246 1.00 0.00 C ATOM 298 O GLY A 23 3.225 13.132 -6.419 1.00 0.00 O ATOM 0 H GLY A 23 5.272 15.558 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.846 14.613 -7.217 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.432 15.334 -6.476 1.00 0.00 H new ATOM 302 N TYR A 24 4.533 12.488 -8.153 1.00 0.00 N ATOM 303 CA TYR A 24 4.082 11.096 -8.226 1.00 0.00 C ATOM 304 C TYR A 24 2.713 10.990 -8.884 1.00 0.00 C ATOM 305 O TYR A 24 2.463 10.073 -9.663 1.00 0.00 O ATOM 306 CB TYR A 24 4.062 10.416 -6.853 1.00 0.00 C ATOM 307 CG TYR A 24 5.416 10.314 -6.188 1.00 0.00 C ATOM 308 CD1 TYR A 24 6.301 9.306 -6.537 1.00 0.00 C ATOM 309 CD2 TYR A 24 5.808 11.223 -5.213 1.00 0.00 C ATOM 310 CE1 TYR A 24 7.537 9.203 -5.935 1.00 0.00 C ATOM 311 CE2 TYR A 24 7.045 11.127 -4.604 1.00 0.00 C ATOM 312 CZ TYR A 24 7.905 10.116 -4.971 1.00 0.00 C ATOM 313 OH TYR A 24 9.140 10.019 -4.375 1.00 0.00 O ATOM 0 H TYR A 24 5.213 12.728 -8.874 1.00 0.00 H new ATOM 0 HA TYR A 24 4.809 10.570 -8.844 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.389 10.968 -6.197 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.648 9.414 -6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.018 8.589 -7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.135 12.018 -4.926 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.214 8.410 -6.218 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.335 11.840 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 24 9.244 10.739 -3.718 1.00 0.00 H new ATOM 323 N GLY A 25 1.839 11.940 -8.585 1.00 0.00 N ATOM 324 CA GLY A 25 0.529 11.951 -9.186 1.00 0.00 C ATOM 325 C GLY A 25 -0.512 11.292 -8.316 1.00 0.00 C ATOM 326 O GLY A 25 -1.621 11.021 -8.767 1.00 0.00 O ATOM 0 H GLY A 25 2.018 12.704 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.233 12.981 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.570 11.440 -10.148 1.00 0.00 H new ATOM 330 N PHE A 26 -0.173 11.035 -7.065 1.00 0.00 N ATOM 331 CA PHE A 26 -1.143 10.443 -6.154 1.00 0.00 C ATOM 332 C PHE A 26 -1.337 11.311 -4.920 1.00 0.00 C ATOM 333 O PHE A 26 -0.429 12.029 -4.489 1.00 0.00 O ATOM 334 CB PHE A 26 -0.744 9.015 -5.745 1.00 0.00 C ATOM 335 CG PHE A 26 0.293 8.945 -4.655 1.00 0.00 C ATOM 336 CD1 PHE A 26 1.635 9.147 -4.935 1.00 0.00 C ATOM 337 CD2 PHE A 26 -0.081 8.682 -3.347 1.00 0.00 C ATOM 338 CE1 PHE A 26 2.583 9.087 -3.931 1.00 0.00 C ATOM 339 CE2 PHE A 26 0.861 8.623 -2.340 1.00 0.00 C ATOM 340 CZ PHE A 26 2.195 8.825 -2.632 1.00 0.00 C ATOM 0 H PHE A 26 0.745 11.221 -6.661 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.090 10.385 -6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.636 8.482 -5.415 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.366 8.491 -6.623 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.944 9.354 -5.949 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.123 8.521 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.626 9.245 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.555 8.419 -1.325 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.934 8.778 -1.846 1.00 0.00 H new ATOM 350 N HIS A 27 -2.538 11.252 -4.373 1.00 0.00 N ATOM 351 CA HIS A 27 -2.881 11.971 -3.159 1.00 0.00 C ATOM 352 C HIS A 27 -3.407 10.980 -2.135 1.00 0.00 C ATOM 353 O HIS A 27 -4.257 10.145 -2.452 1.00 0.00 O ATOM 354 CB HIS A 27 -3.929 13.057 -3.435 1.00 0.00 C ATOM 355 CG HIS A 27 -3.483 14.095 -4.421 1.00 0.00 C ATOM 356 ND1 HIS A 27 -3.187 15.393 -4.071 1.00 0.00 N ATOM 357 CD2 HIS A 27 -3.294 14.020 -5.760 1.00 0.00 C ATOM 358 CE1 HIS A 27 -2.834 16.068 -5.150 1.00 0.00 C ATOM 359 NE2 HIS A 27 -2.892 15.257 -6.188 1.00 0.00 N ATOM 0 H HIS A 27 -3.305 10.702 -4.759 1.00 0.00 H new ATOM 0 HA HIS A 27 -1.989 12.466 -2.775 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.838 12.585 -3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.185 13.548 -2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.435 13.145 -6.377 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.546 17.109 -5.177 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.673 15.510 -7.152 1.00 0.00 H new ATOM 368 N LEU A 28 -2.898 11.065 -0.922 1.00 0.00 N ATOM 369 CA LEU A 28 -3.198 10.084 0.107 1.00 0.00 C ATOM 370 C LEU A 28 -4.183 10.660 1.121 1.00 0.00 C ATOM 371 O LEU A 28 -4.102 11.838 1.459 1.00 0.00 O ATOM 372 CB LEU A 28 -1.895 9.687 0.801 1.00 0.00 C ATOM 373 CG LEU A 28 -1.959 8.445 1.683 1.00 0.00 C ATOM 374 CD1 LEU A 28 -2.221 7.207 0.842 1.00 0.00 C ATOM 375 CD2 LEU A 28 -0.664 8.302 2.462 1.00 0.00 C ATOM 0 H LEU A 28 -2.269 11.810 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.656 9.206 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.134 9.527 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.562 10.526 1.412 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.783 8.553 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.263 6.330 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.170 7.318 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.418 7.084 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.714 7.413 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.170 8.208 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.517 9.182 3.088 1.00 0.00 H new ATOM 387 N HIS A 29 -5.115 9.845 1.605 1.00 0.00 N ATOM 388 CA HIS A 29 -6.067 10.321 2.605 1.00 0.00 C ATOM 389 C HIS A 29 -6.201 9.328 3.753 1.00 0.00 C ATOM 390 O HIS A 29 -6.282 8.116 3.540 1.00 0.00 O ATOM 391 CB HIS A 29 -7.449 10.640 1.986 1.00 0.00 C ATOM 392 CG HIS A 29 -8.338 9.455 1.692 1.00 0.00 C ATOM 393 ND1 HIS A 29 -9.686 9.441 1.983 1.00 0.00 N ATOM 394 CD2 HIS A 29 -8.080 8.264 1.102 1.00 0.00 C ATOM 395 CE1 HIS A 29 -10.211 8.297 1.587 1.00 0.00 C ATOM 396 NE2 HIS A 29 -9.259 7.563 1.047 1.00 0.00 N ATOM 0 H HIS A 29 -5.232 8.870 1.328 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.669 11.253 3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.982 11.308 2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.290 11.188 1.057 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.198 10.198 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.120 7.926 0.740 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.247 8.010 1.688 1.00 0.00 H new ATOM 405 N GLY A 30 -6.185 9.851 4.964 1.00 0.00 N ATOM 406 CA GLY A 30 -6.443 9.046 6.134 1.00 0.00 C ATOM 407 C GLY A 30 -7.812 9.355 6.684 1.00 0.00 C ATOM 408 O GLY A 30 -8.015 10.404 7.293 1.00 0.00 O ATOM 0 H GLY A 30 -5.995 10.834 5.160 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.375 7.988 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.685 9.240 6.893 1.00 0.00 H new ATOM 412 N GLU A 31 -8.757 8.458 6.441 1.00 0.00 N ATOM 413 CA GLU A 31 -10.151 8.704 6.786 1.00 0.00 C ATOM 414 C GLU A 31 -10.328 8.930 8.283 1.00 0.00 C ATOM 415 O GLU A 31 -9.615 8.349 9.103 1.00 0.00 O ATOM 416 CB GLU A 31 -11.020 7.540 6.329 1.00 0.00 C ATOM 417 CG GLU A 31 -10.966 7.290 4.835 1.00 0.00 C ATOM 418 CD GLU A 31 -12.040 6.330 4.383 1.00 0.00 C ATOM 419 OE1 GLU A 31 -11.927 5.120 4.671 1.00 0.00 O ATOM 420 OE2 GLU A 31 -13.016 6.790 3.759 1.00 0.00 O ATOM 0 H GLU A 31 -8.584 7.552 6.006 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.463 9.612 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.706 6.636 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.053 7.733 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.079 8.236 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.987 6.890 4.569 1.00 0.00 H new ATOM 427 N LYS A 32 -11.283 9.789 8.617 1.00 0.00 N ATOM 428 CA LYS A 32 -11.568 10.135 9.995 1.00 0.00 C ATOM 429 C LYS A 32 -11.986 8.899 10.784 1.00 0.00 C ATOM 430 O LYS A 32 -12.986 8.255 10.465 1.00 0.00 O ATOM 431 CB LYS A 32 -12.664 11.189 10.040 1.00 0.00 C ATOM 432 CG LYS A 32 -12.854 11.794 11.414 1.00 0.00 C ATOM 433 CD LYS A 32 -13.887 12.899 11.392 1.00 0.00 C ATOM 434 CE LYS A 32 -13.465 14.047 10.489 1.00 0.00 C ATOM 435 NZ LYS A 32 -14.383 15.211 10.609 1.00 0.00 N ATOM 0 H LYS A 32 -11.879 10.262 7.938 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.665 10.539 10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.426 11.982 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.603 10.741 9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.163 11.019 12.115 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.904 12.189 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.841 12.498 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.043 13.271 12.405 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.451 14.356 10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.444 13.706 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.062 15.973 9.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.346 14.923 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.384 15.552 11.591 1.00 0.00 H new ATOM 449 N GLY A 33 -11.200 8.565 11.794 1.00 0.00 N ATOM 450 CA GLY A 33 -11.478 7.398 12.601 1.00 0.00 C ATOM 451 C GLY A 33 -10.540 6.256 12.281 1.00 0.00 C ATOM 452 O GLY A 33 -10.100 5.527 13.172 1.00 0.00 O ATOM 0 H GLY A 33 -10.368 9.086 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.389 7.656 13.656 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.507 7.080 12.437 1.00 0.00 H new ATOM 456 N LYS A 34 -10.225 6.105 11.001 1.00 0.00 N ATOM 457 CA LYS A 34 -9.333 5.054 10.549 1.00 0.00 C ATOM 458 C LYS A 34 -7.918 5.278 11.061 1.00 0.00 C ATOM 459 O LYS A 34 -7.530 6.401 11.387 1.00 0.00 O ATOM 460 CB LYS A 34 -9.317 4.994 9.023 1.00 0.00 C ATOM 461 CG LYS A 34 -10.702 4.962 8.402 1.00 0.00 C ATOM 462 CD LYS A 34 -11.547 3.846 8.981 1.00 0.00 C ATOM 463 CE LYS A 34 -12.875 3.728 8.254 1.00 0.00 C ATOM 464 NZ LYS A 34 -13.686 2.591 8.757 1.00 0.00 N ATOM 0 H LYS A 34 -10.579 6.704 10.255 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.703 4.109 10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.776 5.859 8.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.766 4.108 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.198 5.918 8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.615 4.831 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.006 2.903 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.725 4.033 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.437 4.654 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.694 3.600 7.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.584 2.547 8.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.162 1.703 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.882 2.725 9.770 1.00 0.00 H new ATOM 478 N LEU A 35 -7.153 4.205 11.124 1.00 0.00 N ATOM 479 CA LEU A 35 -5.777 4.274 11.587 1.00 0.00 C ATOM 480 C LEU A 35 -4.816 3.965 10.446 1.00 0.00 C ATOM 481 O LEU A 35 -3.609 3.880 10.642 1.00 0.00 O ATOM 482 CB LEU A 35 -5.557 3.324 12.776 1.00 0.00 C ATOM 483 CG LEU A 35 -6.265 1.962 12.699 1.00 0.00 C ATOM 484 CD1 LEU A 35 -5.656 1.079 11.616 1.00 0.00 C ATOM 485 CD2 LEU A 35 -6.207 1.263 14.050 1.00 0.00 C ATOM 0 H LEU A 35 -7.462 3.270 10.859 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.575 5.288 11.931 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.486 3.148 12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.886 3.830 13.684 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.308 2.139 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.180 0.124 11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.750 1.573 10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.602 0.909 11.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.712 0.299 13.983 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.166 1.109 14.335 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.701 1.880 14.800 1.00 0.00 H new ATOM 497 N GLY A 36 -5.372 3.801 9.255 1.00 0.00 N ATOM 498 CA GLY A 36 -4.562 3.529 8.090 1.00 0.00 C ATOM 499 C GLY A 36 -4.800 4.544 6.995 1.00 0.00 C ATOM 500 O GLY A 36 -5.774 5.301 7.040 1.00 0.00 O ATOM 0 H GLY A 36 -6.375 3.852 9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.508 3.535 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.786 2.530 7.716 1.00 0.00 H new ATOM 504 N GLN A 37 -3.914 4.568 6.012 1.00 0.00 N ATOM 505 CA GLN A 37 -4.024 5.506 4.908 1.00 0.00 C ATOM 506 C GLN A 37 -4.543 4.800 3.660 1.00 0.00 C ATOM 507 O GLN A 37 -4.293 3.612 3.458 1.00 0.00 O ATOM 508 CB GLN A 37 -2.670 6.159 4.606 1.00 0.00 C ATOM 509 CG GLN A 37 -2.242 7.250 5.585 1.00 0.00 C ATOM 510 CD GLN A 37 -1.892 6.734 6.970 1.00 0.00 C ATOM 511 OE1 GLN A 37 -0.767 6.313 7.217 1.00 0.00 O ATOM 512 NE2 GLN A 37 -2.834 6.816 7.894 1.00 0.00 N ATOM 0 H GLN A 37 -3.108 3.946 5.957 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.729 6.284 5.199 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.905 5.383 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.706 6.586 3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.379 7.774 5.175 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.046 7.981 5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.758 7.172 7.650 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.636 6.524 8.851 1.00 0.00 H new ATOM 521 N TYR A 38 -5.277 5.529 2.836 1.00 0.00 N ATOM 522 CA TYR A 38 -5.829 4.977 1.604 1.00 0.00 C ATOM 523 C TYR A 38 -5.533 5.915 0.445 1.00 0.00 C ATOM 524 O TYR A 38 -5.351 7.121 0.646 1.00 0.00 O ATOM 525 CB TYR A 38 -7.346 4.792 1.728 1.00 0.00 C ATOM 526 CG TYR A 38 -7.791 4.103 2.998 1.00 0.00 C ATOM 527 CD1 TYR A 38 -7.700 2.724 3.138 1.00 0.00 C ATOM 528 CD2 TYR A 38 -8.320 4.837 4.053 1.00 0.00 C ATOM 529 CE1 TYR A 38 -8.123 2.095 4.292 1.00 0.00 C ATOM 530 CE2 TYR A 38 -8.742 4.218 5.212 1.00 0.00 C ATOM 531 CZ TYR A 38 -8.643 2.847 5.327 1.00 0.00 C ATOM 532 OH TYR A 38 -9.079 2.223 6.475 1.00 0.00 O ATOM 0 H TYR A 38 -5.507 6.510 2.997 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.367 4.006 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.824 5.770 1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.700 4.216 0.873 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -7.292 2.134 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.402 5.910 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.048 1.022 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.147 4.803 6.024 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.559 1.405 6.621 1.00 0.00 H new ATOM 542 N ILE A 39 -5.483 5.367 -0.762 1.00 0.00 N ATOM 543 CA ILE A 39 -5.277 6.178 -1.957 1.00 0.00 C ATOM 544 C ILE A 39 -6.527 7.004 -2.236 1.00 0.00 C ATOM 545 O ILE A 39 -7.589 6.459 -2.545 1.00 0.00 O ATOM 546 CB ILE A 39 -4.954 5.316 -3.199 1.00 0.00 C ATOM 547 CG1 ILE A 39 -3.744 4.409 -2.937 1.00 0.00 C ATOM 548 CG2 ILE A 39 -4.695 6.212 -4.410 1.00 0.00 C ATOM 549 CD1 ILE A 39 -2.440 5.159 -2.752 1.00 0.00 C ATOM 0 H ILE A 39 -5.582 4.368 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.422 6.827 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.815 4.681 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.937 3.811 -2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.637 3.714 -3.770 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.469 5.593 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.581 6.813 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.850 6.869 -4.202 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.634 4.448 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.221 5.735 -3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.526 5.834 -1.900 1.00 0.00 H new ATOM 561 N ARG A 40 -6.400 8.316 -2.106 1.00 0.00 N ATOM 562 CA ARG A 40 -7.531 9.211 -2.291 1.00 0.00 C ATOM 563 C ARG A 40 -7.700 9.556 -3.756 1.00 0.00 C ATOM 564 O ARG A 40 -8.799 9.494 -4.298 1.00 0.00 O ATOM 565 CB ARG A 40 -7.325 10.500 -1.507 1.00 0.00 C ATOM 566 CG ARG A 40 -8.520 11.434 -1.557 1.00 0.00 C ATOM 567 CD ARG A 40 -8.082 12.879 -1.467 1.00 0.00 C ATOM 568 NE ARG A 40 -8.296 13.594 -2.720 1.00 0.00 N ATOM 569 CZ ARG A 40 -7.867 14.832 -2.952 1.00 0.00 C ATOM 570 NH1 ARG A 40 -7.226 15.510 -2.004 1.00 0.00 N ATOM 571 NH2 ARG A 40 -8.097 15.402 -4.125 1.00 0.00 N ATOM 0 H ARG A 40 -5.524 8.784 -1.873 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.423 8.700 -1.929 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.109 10.254 -0.467 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.451 11.019 -1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.072 11.275 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.200 11.205 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.632 13.375 -0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.026 12.922 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.805 13.116 -3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.061 15.081 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.899 16.459 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.603 14.892 -4.849 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.769 16.351 -4.304 1.00 0.00 H new ATOM 585 N LEU A 41 -6.598 9.918 -4.388 1.00 0.00 N ATOM 586 CA LEU A 41 -6.627 10.345 -5.771 1.00 0.00 C ATOM 587 C LEU A 41 -5.365 9.913 -6.492 1.00 0.00 C ATOM 588 O LEU A 41 -4.277 9.927 -5.920 1.00 0.00 O ATOM 589 CB LEU A 41 -6.753 11.869 -5.871 1.00 0.00 C ATOM 590 CG LEU A 41 -6.738 12.419 -7.302 1.00 0.00 C ATOM 591 CD1 LEU A 41 -8.055 12.128 -8.002 1.00 0.00 C ATOM 592 CD2 LEU A 41 -6.437 13.907 -7.306 1.00 0.00 C ATOM 0 H LEU A 41 -5.671 9.924 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.494 9.878 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.680 12.176 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.936 12.325 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.944 11.915 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.024 12.526 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.216 11.051 -8.040 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.871 12.598 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.432 14.274 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.202 14.434 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.461 14.082 -6.853 1.00 0.00 H new ATOM 604 N VAL A 42 -5.523 9.527 -7.740 1.00 0.00 N ATOM 605 CA VAL A 42 -4.401 9.304 -8.627 1.00 0.00 C ATOM 606 C VAL A 42 -4.719 9.938 -9.978 1.00 0.00 C ATOM 607 O VAL A 42 -5.640 9.512 -10.679 1.00 0.00 O ATOM 608 CB VAL A 42 -4.061 7.801 -8.761 1.00 0.00 C ATOM 609 CG1 VAL A 42 -5.314 6.964 -8.948 1.00 0.00 C ATOM 610 CG2 VAL A 42 -3.076 7.564 -9.892 1.00 0.00 C ATOM 0 H VAL A 42 -6.433 9.359 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.511 9.773 -8.208 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.589 7.486 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.039 5.913 -9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.970 7.094 -8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.833 7.283 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.854 6.499 -9.964 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.510 7.909 -10.831 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.156 8.114 -9.694 1.00 0.00 H new ATOM 620 N GLU A 43 -3.975 10.983 -10.315 1.00 0.00 N ATOM 621 CA GLU A 43 -4.278 11.787 -11.490 1.00 0.00 C ATOM 622 C GLU A 43 -3.794 11.095 -12.753 1.00 0.00 C ATOM 623 O GLU A 43 -2.685 10.567 -12.798 1.00 0.00 O ATOM 624 CB GLU A 43 -3.660 13.187 -11.381 1.00 0.00 C ATOM 625 CG GLU A 43 -2.864 13.430 -10.106 1.00 0.00 C ATOM 626 CD GLU A 43 -2.711 14.902 -9.783 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.015 15.617 -10.532 1.00 0.00 O ATOM 628 OE2 GLU A 43 -3.296 15.354 -8.776 1.00 0.00 O ATOM 0 H GLU A 43 -3.157 11.293 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.361 11.898 -11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.007 13.349 -12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.457 13.928 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.358 12.929 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.876 12.980 -10.208 1.00 0.00 H new ATOM 635 N PRO A 44 -4.633 11.083 -13.794 1.00 0.00 N ATOM 636 CA PRO A 44 -4.312 10.423 -15.055 1.00 0.00 C ATOM 637 C PRO A 44 -3.085 11.030 -15.722 1.00 0.00 C ATOM 638 O PRO A 44 -2.984 12.249 -15.889 1.00 0.00 O ATOM 639 CB PRO A 44 -5.554 10.638 -15.918 1.00 0.00 C ATOM 640 CG PRO A 44 -6.635 10.990 -14.961 1.00 0.00 C ATOM 641 CD PRO A 44 -5.962 11.703 -13.826 1.00 0.00 C ATOM 0 HA PRO A 44 -4.071 9.370 -14.908 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.396 11.435 -16.645 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.803 9.738 -16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.383 11.626 -15.434 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.152 10.097 -14.610 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.903 12.777 -14.002 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.496 11.562 -12.886 1.00 0.00 H new ATOM 649 N GLY A 45 -2.158 10.169 -16.086 1.00 0.00 N ATOM 650 CA GLY A 45 -0.930 10.606 -16.715 1.00 0.00 C ATOM 651 C GLY A 45 0.239 10.573 -15.756 1.00 0.00 C ATOM 652 O GLY A 45 1.362 10.937 -16.115 1.00 0.00 O ATOM 0 H GLY A 45 -2.232 9.160 -15.957 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.714 9.968 -17.572 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.058 11.619 -17.096 1.00 0.00 H new ATOM 656 N SER A 46 -0.026 10.136 -14.537 1.00 0.00 N ATOM 657 CA SER A 46 0.996 10.080 -13.509 1.00 0.00 C ATOM 658 C SER A 46 1.650 8.701 -13.464 1.00 0.00 C ATOM 659 O SER A 46 1.040 7.693 -13.830 1.00 0.00 O ATOM 660 CB SER A 46 0.374 10.394 -12.150 1.00 0.00 C ATOM 661 OG SER A 46 -0.584 9.414 -11.786 1.00 0.00 O ATOM 0 H SER A 46 -0.945 9.814 -14.235 1.00 0.00 H new ATOM 0 HA SER A 46 1.762 10.819 -13.745 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.156 10.442 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.100 11.375 -12.182 1.00 0.00 H new ATOM 0 HG SER A 46 -1.486 9.777 -11.907 1.00 0.00 H new ATOM 667 N PRO A 47 2.917 8.648 -13.026 1.00 0.00 N ATOM 668 CA PRO A 47 3.635 7.389 -12.823 1.00 0.00 C ATOM 669 C PRO A 47 3.033 6.558 -11.691 1.00 0.00 C ATOM 670 O PRO A 47 3.349 5.378 -11.540 1.00 0.00 O ATOM 671 CB PRO A 47 5.057 7.830 -12.474 1.00 0.00 C ATOM 672 CG PRO A 47 4.917 9.226 -11.980 1.00 0.00 C ATOM 673 CD PRO A 47 3.758 9.819 -12.723 1.00 0.00 C ATOM 0 HA PRO A 47 3.587 6.748 -13.703 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.495 7.184 -11.713 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.710 7.783 -13.346 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.739 9.242 -10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.828 9.796 -12.161 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.224 10.552 -12.118 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.080 10.329 -13.631 1.00 0.00 H new ATOM 681 N ALA A 48 2.172 7.185 -10.893 1.00 0.00 N ATOM 682 CA ALA A 48 1.454 6.486 -9.841 1.00 0.00 C ATOM 683 C ALA A 48 0.528 5.438 -10.449 1.00 0.00 C ATOM 684 O ALA A 48 0.407 4.326 -9.935 1.00 0.00 O ATOM 685 CB ALA A 48 0.661 7.466 -8.992 1.00 0.00 C ATOM 0 H ALA A 48 1.957 8.180 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 48 2.178 5.986 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.130 6.923 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.341 8.186 -8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.058 7.993 -9.620 1.00 0.00 H new ATOM 691 N GLU A 49 -0.110 5.800 -11.561 1.00 0.00 N ATOM 692 CA GLU A 49 -0.968 4.870 -12.286 1.00 0.00 C ATOM 693 C GLU A 49 -0.145 3.697 -12.801 1.00 0.00 C ATOM 694 O GLU A 49 -0.587 2.549 -12.770 1.00 0.00 O ATOM 695 CB GLU A 49 -1.648 5.554 -13.471 1.00 0.00 C ATOM 696 CG GLU A 49 -2.359 6.851 -13.134 1.00 0.00 C ATOM 697 CD GLU A 49 -3.201 7.334 -14.293 1.00 0.00 C ATOM 698 OE1 GLU A 49 -2.621 7.742 -15.318 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.444 7.298 -14.198 1.00 0.00 O ATOM 0 H GLU A 49 -0.048 6.729 -11.977 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.734 4.517 -11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.898 5.755 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.370 4.863 -13.906 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.992 6.704 -12.259 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.625 7.613 -12.873 1.00 0.00 H new ATOM 706 N LYS A 50 1.062 4.004 -13.266 1.00 0.00 N ATOM 707 CA LYS A 50 1.967 3.000 -13.816 1.00 0.00 C ATOM 708 C LYS A 50 2.407 2.015 -12.739 1.00 0.00 C ATOM 709 O LYS A 50 2.680 0.849 -13.023 1.00 0.00 O ATOM 710 CB LYS A 50 3.201 3.673 -14.423 1.00 0.00 C ATOM 711 CG LYS A 50 2.883 4.690 -15.505 1.00 0.00 C ATOM 712 CD LYS A 50 4.150 5.346 -16.028 1.00 0.00 C ATOM 713 CE LYS A 50 3.840 6.426 -17.049 1.00 0.00 C ATOM 714 NZ LYS A 50 5.072 7.093 -17.539 1.00 0.00 N ATOM 0 H LYS A 50 1.439 4.952 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 50 1.430 2.456 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.760 4.167 -13.628 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.852 2.905 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.358 4.201 -16.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.213 5.452 -15.107 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.706 5.779 -15.197 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.792 4.590 -16.481 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.305 5.987 -17.891 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.178 7.168 -16.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.818 7.824 -18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.570 7.534 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.693 6.389 -17.987 1.00 0.00 H new ATOM 728 N ALA A 51 2.468 2.486 -11.501 1.00 0.00 N ATOM 729 CA ALA A 51 2.907 1.650 -10.397 1.00 0.00 C ATOM 730 C ALA A 51 1.794 0.724 -9.927 1.00 0.00 C ATOM 731 O ALA A 51 2.057 -0.296 -9.297 1.00 0.00 O ATOM 732 CB ALA A 51 3.403 2.510 -9.248 1.00 0.00 C ATOM 0 H ALA A 51 2.219 3.440 -11.238 1.00 0.00 H new ATOM 0 HA ALA A 51 3.729 1.029 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.728 1.870 -8.428 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.240 3.121 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.597 3.158 -8.904 1.00 0.00 H new ATOM 738 N GLY A 52 0.558 1.064 -10.266 1.00 0.00 N ATOM 739 CA GLY A 52 -0.567 0.230 -9.886 1.00 0.00 C ATOM 740 C GLY A 52 -1.292 0.751 -8.665 1.00 0.00 C ATOM 741 O GLY A 52 -1.544 0.006 -7.715 1.00 0.00 O ATOM 0 H GLY A 52 0.313 1.900 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.266 0.168 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.214 -0.782 -9.690 1.00 0.00 H new ATOM 745 N LEU A 53 -1.628 2.030 -8.690 1.00 0.00 N ATOM 746 CA LEU A 53 -2.329 2.662 -7.583 1.00 0.00 C ATOM 747 C LEU A 53 -3.611 3.316 -8.079 1.00 0.00 C ATOM 748 O LEU A 53 -3.562 4.179 -8.954 1.00 0.00 O ATOM 749 CB LEU A 53 -1.448 3.738 -6.942 1.00 0.00 C ATOM 750 CG LEU A 53 -0.089 3.270 -6.428 1.00 0.00 C ATOM 751 CD1 LEU A 53 0.739 4.461 -5.980 1.00 0.00 C ATOM 752 CD2 LEU A 53 -0.258 2.287 -5.282 1.00 0.00 C ATOM 0 H LEU A 53 -1.425 2.655 -9.470 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.566 1.893 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.285 4.529 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.996 4.181 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 53 0.431 2.763 -7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.706 4.115 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.889 5.137 -6.822 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.217 4.987 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.723 1.966 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.796 2.769 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.822 1.420 -5.626 1.00 0.00 H new ATOM 764 N LEU A 54 -4.750 2.908 -7.542 1.00 0.00 N ATOM 765 CA LEU A 54 -5.999 3.585 -7.855 1.00 0.00 C ATOM 766 C LEU A 54 -6.700 4.038 -6.582 1.00 0.00 C ATOM 767 O LEU A 54 -6.298 3.675 -5.475 1.00 0.00 O ATOM 768 CB LEU A 54 -6.937 2.762 -8.770 1.00 0.00 C ATOM 769 CG LEU A 54 -7.265 1.307 -8.399 1.00 0.00 C ATOM 770 CD1 LEU A 54 -6.068 0.394 -8.607 1.00 0.00 C ATOM 771 CD2 LEU A 54 -7.803 1.187 -6.982 1.00 0.00 C ATOM 0 H LEU A 54 -4.836 2.123 -6.896 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.736 4.469 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.881 3.302 -8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.497 2.754 -9.767 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.055 0.981 -9.075 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.337 -0.627 -8.334 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.766 0.422 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.241 0.730 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.021 0.142 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.058 1.558 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.716 1.775 -6.888 1.00 0.00 H new ATOM 783 N ALA A 55 -7.753 4.821 -6.748 1.00 0.00 N ATOM 784 CA ALA A 55 -8.385 5.496 -5.625 1.00 0.00 C ATOM 785 C ALA A 55 -9.293 4.553 -4.859 1.00 0.00 C ATOM 786 O ALA A 55 -10.514 4.585 -4.999 1.00 0.00 O ATOM 787 CB ALA A 55 -9.153 6.719 -6.108 1.00 0.00 C ATOM 0 H ALA A 55 -8.189 5.006 -7.651 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.603 5.827 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.621 7.214 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.467 7.410 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.922 6.410 -6.816 1.00 0.00 H new ATOM 793 N GLY A 56 -8.675 3.727 -4.038 1.00 0.00 N ATOM 794 CA GLY A 56 -9.406 2.753 -3.267 1.00 0.00 C ATOM 795 C GLY A 56 -8.487 1.770 -2.582 1.00 0.00 C ATOM 796 O GLY A 56 -8.876 1.141 -1.602 1.00 0.00 O ATOM 0 H GLY A 56 -7.666 3.715 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.013 3.264 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.092 2.214 -3.920 1.00 0.00 H new ATOM 800 N ASP A 57 -7.263 1.641 -3.093 1.00 0.00 N ATOM 801 CA ASP A 57 -6.289 0.708 -2.523 1.00 0.00 C ATOM 802 C ASP A 57 -5.918 1.104 -1.096 1.00 0.00 C ATOM 803 O ASP A 57 -5.788 2.293 -0.785 1.00 0.00 O ATOM 804 CB ASP A 57 -5.014 0.650 -3.371 1.00 0.00 C ATOM 805 CG ASP A 57 -5.234 0.090 -4.762 1.00 0.00 C ATOM 806 OD1 ASP A 57 -5.788 -1.026 -4.883 1.00 0.00 O ATOM 807 OD2 ASP A 57 -4.845 0.761 -5.739 1.00 0.00 O ATOM 0 H ASP A 57 -6.922 2.168 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.759 -0.276 -2.514 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.597 1.654 -3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.273 0.039 -2.856 1.00 0.00 H new ATOM 812 N ARG A 58 -5.747 0.104 -0.236 1.00 0.00 N ATOM 813 CA ARG A 58 -5.340 0.340 1.143 1.00 0.00 C ATOM 814 C ARG A 58 -3.820 0.369 1.234 1.00 0.00 C ATOM 815 O ARG A 58 -3.154 -0.579 0.818 1.00 0.00 O ATOM 816 CB ARG A 58 -5.887 -0.750 2.074 1.00 0.00 C ATOM 817 CG ARG A 58 -5.458 -0.566 3.522 1.00 0.00 C ATOM 818 CD ARG A 58 -5.791 -1.773 4.389 1.00 0.00 C ATOM 819 NE ARG A 58 -5.329 -1.579 5.764 1.00 0.00 N ATOM 820 CZ ARG A 58 -4.703 -2.512 6.492 1.00 0.00 C ATOM 821 NH1 ARG A 58 -4.585 -3.755 6.050 1.00 0.00 N ATOM 822 NH2 ARG A 58 -4.230 -2.205 7.690 1.00 0.00 N ATOM 0 H ARG A 58 -5.885 -0.879 -0.472 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.748 1.301 1.458 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.976 -0.752 2.021 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.549 -1.724 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.384 -0.382 3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.947 0.318 3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.868 -1.942 4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.327 -2.665 3.969 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.495 -0.671 6.197 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.974 -4.013 5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.105 -4.454 6.617 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.343 -1.260 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.753 -2.914 8.247 1.00 0.00 H new ATOM 836 N LEU A 59 -3.278 1.449 1.775 1.00 0.00 N ATOM 837 CA LEU A 59 -1.838 1.586 1.926 1.00 0.00 C ATOM 838 C LEU A 59 -1.362 0.778 3.129 1.00 0.00 C ATOM 839 O LEU A 59 -1.794 1.012 4.258 1.00 0.00 O ATOM 840 CB LEU A 59 -1.459 3.060 2.083 1.00 0.00 C ATOM 841 CG LEU A 59 0.040 3.346 2.160 1.00 0.00 C ATOM 842 CD1 LEU A 59 0.732 2.952 0.865 1.00 0.00 C ATOM 843 CD2 LEU A 59 0.278 4.813 2.465 1.00 0.00 C ATOM 0 H LEU A 59 -3.815 2.245 2.118 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.349 1.200 1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.875 3.616 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.932 3.445 2.986 1.00 0.00 H new ATOM 0 HG LEU A 59 0.464 2.747 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.798 3.165 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.587 1.887 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.308 3.522 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.350 5.005 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.162 5.424 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.183 5.065 3.420 1.00 0.00 H new ATOM 855 N VAL A 60 -0.489 -0.182 2.874 1.00 0.00 N ATOM 856 CA VAL A 60 -0.003 -1.073 3.917 1.00 0.00 C ATOM 857 C VAL A 60 1.411 -0.702 4.351 1.00 0.00 C ATOM 858 O VAL A 60 1.761 -0.823 5.523 1.00 0.00 O ATOM 859 CB VAL A 60 -0.020 -2.544 3.445 1.00 0.00 C ATOM 860 CG1 VAL A 60 0.463 -3.478 4.546 1.00 0.00 C ATOM 861 CG2 VAL A 60 -1.412 -2.939 2.984 1.00 0.00 C ATOM 0 H VAL A 60 -0.100 -0.366 1.949 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.675 -0.962 4.768 1.00 0.00 H new ATOM 0 HB VAL A 60 0.664 -2.635 2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.441 -4.507 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.483 -3.214 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.188 -3.383 5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.405 -3.978 2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.115 -2.824 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.717 -2.298 2.156 1.00 0.00 H new ATOM 871 N GLU A 61 2.222 -0.241 3.406 1.00 0.00 N ATOM 872 CA GLU A 61 3.617 0.069 3.690 1.00 0.00 C ATOM 873 C GLU A 61 4.129 1.185 2.784 1.00 0.00 C ATOM 874 O GLU A 61 3.664 1.342 1.651 1.00 0.00 O ATOM 875 CB GLU A 61 4.451 -1.203 3.523 1.00 0.00 C ATOM 876 CG GLU A 61 5.950 -0.995 3.588 1.00 0.00 C ATOM 877 CD GLU A 61 6.680 -2.274 3.922 1.00 0.00 C ATOM 878 OE1 GLU A 61 6.247 -2.965 4.864 1.00 0.00 O ATOM 879 OE2 GLU A 61 7.698 -2.576 3.270 1.00 0.00 O ATOM 0 H GLU A 61 1.939 -0.074 2.440 1.00 0.00 H new ATOM 0 HA GLU A 61 3.705 0.426 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.163 -1.913 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.203 -1.659 2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.306 -0.613 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.180 -0.239 4.339 1.00 0.00 H new ATOM 886 N VAL A 62 5.098 1.946 3.286 1.00 0.00 N ATOM 887 CA VAL A 62 5.672 3.056 2.538 1.00 0.00 C ATOM 888 C VAL A 62 7.191 3.004 2.591 1.00 0.00 C ATOM 889 O VAL A 62 7.780 3.028 3.673 1.00 0.00 O ATOM 890 CB VAL A 62 5.204 4.428 3.078 1.00 0.00 C ATOM 891 CG1 VAL A 62 5.827 5.563 2.279 1.00 0.00 C ATOM 892 CG2 VAL A 62 3.690 4.532 3.043 1.00 0.00 C ATOM 0 H VAL A 62 5.502 1.811 4.213 1.00 0.00 H new ATOM 0 HA VAL A 62 5.326 2.952 1.510 1.00 0.00 H new ATOM 0 HB VAL A 62 5.533 4.512 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.484 6.518 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.913 5.508 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.531 5.477 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.383 5.505 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.341 4.421 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.257 3.745 3.660 1.00 0.00 H new ATOM 902 N ASN A 63 7.804 2.894 1.413 1.00 0.00 N ATOM 903 CA ASN A 63 9.262 2.918 1.240 1.00 0.00 C ATOM 904 C ASN A 63 9.913 1.622 1.733 1.00 0.00 C ATOM 905 O ASN A 63 10.973 1.224 1.245 1.00 0.00 O ATOM 906 CB ASN A 63 9.884 4.129 1.952 1.00 0.00 C ATOM 907 CG ASN A 63 11.306 4.409 1.500 1.00 0.00 C ATOM 908 OD1 ASN A 63 12.262 3.837 2.018 1.00 0.00 O ATOM 909 ND2 ASN A 63 11.454 5.314 0.544 1.00 0.00 N ATOM 0 H ASN A 63 7.296 2.784 0.535 1.00 0.00 H new ATOM 0 HA ASN A 63 9.455 3.006 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.269 5.009 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.877 3.956 3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.387 5.558 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 63 10.635 5.767 0.139 1.00 0.00 H new ATOM 916 N GLY A 64 9.257 0.956 2.669 1.00 0.00 N ATOM 917 CA GLY A 64 9.801 -0.252 3.257 1.00 0.00 C ATOM 918 C GLY A 64 9.449 -0.395 4.732 1.00 0.00 C ATOM 919 O GLY A 64 10.004 -1.247 5.424 1.00 0.00 O ATOM 0 H GLY A 64 8.347 1.233 3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.425 -1.118 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.885 -0.250 3.144 1.00 0.00 H new ATOM 923 N GLU A 65 8.538 0.450 5.217 1.00 0.00 N ATOM 924 CA GLU A 65 8.098 0.392 6.603 1.00 0.00 C ATOM 925 C GLU A 65 6.578 0.278 6.649 1.00 0.00 C ATOM 926 O GLU A 65 5.878 1.058 5.995 1.00 0.00 O ATOM 927 CB GLU A 65 8.552 1.649 7.352 1.00 0.00 C ATOM 928 CG GLU A 65 8.584 1.491 8.865 1.00 0.00 C ATOM 929 CD GLU A 65 9.717 0.599 9.331 1.00 0.00 C ATOM 930 OE1 GLU A 65 9.528 -0.632 9.387 1.00 0.00 O ATOM 931 OE2 GLU A 65 10.806 1.128 9.631 1.00 0.00 O ATOM 0 H GLU A 65 8.092 1.183 4.665 1.00 0.00 H new ATOM 0 HA GLU A 65 8.540 -0.480 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.547 1.926 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.885 2.472 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.685 2.473 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.635 1.075 9.204 1.00 0.00 H new ATOM 938 N ASN A 66 6.080 -0.702 7.399 1.00 0.00 N ATOM 939 CA ASN A 66 4.642 -0.930 7.538 1.00 0.00 C ATOM 940 C ASN A 66 3.947 0.307 8.094 1.00 0.00 C ATOM 941 O ASN A 66 4.405 0.898 9.073 1.00 0.00 O ATOM 942 CB ASN A 66 4.389 -2.125 8.462 1.00 0.00 C ATOM 943 CG ASN A 66 2.916 -2.463 8.597 1.00 0.00 C ATOM 944 OD1 ASN A 66 2.214 -1.921 9.451 1.00 0.00 O ATOM 945 ND2 ASN A 66 2.444 -3.370 7.758 1.00 0.00 N ATOM 0 H ASN A 66 6.657 -1.358 7.925 1.00 0.00 H new ATOM 0 HA ASN A 66 4.233 -1.142 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.923 -2.994 8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.799 -1.909 9.448 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.463 -3.645 7.804 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.061 -3.794 7.065 1.00 0.00 H new ATOM 952 N VAL A 67 2.847 0.698 7.460 1.00 0.00 N ATOM 953 CA VAL A 67 2.124 1.901 7.858 1.00 0.00 C ATOM 954 C VAL A 67 0.637 1.623 8.078 1.00 0.00 C ATOM 955 O VAL A 67 -0.200 2.511 7.912 1.00 0.00 O ATOM 956 CB VAL A 67 2.281 3.025 6.809 1.00 0.00 C ATOM 957 CG1 VAL A 67 3.743 3.394 6.634 1.00 0.00 C ATOM 958 CG2 VAL A 67 1.668 2.623 5.475 1.00 0.00 C ATOM 0 H VAL A 67 2.437 0.201 6.670 1.00 0.00 H new ATOM 0 HA VAL A 67 2.563 2.227 8.801 1.00 0.00 H new ATOM 0 HB VAL A 67 1.744 3.900 7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.832 4.187 5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.147 3.741 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.301 2.520 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.794 3.434 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.165 1.728 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.606 2.419 5.609 1.00 0.00 H new ATOM 968 N GLU A 68 0.314 0.398 8.483 1.00 0.00 N ATOM 969 CA GLU A 68 -1.076 -0.008 8.665 1.00 0.00 C ATOM 970 C GLU A 68 -1.754 0.755 9.800 1.00 0.00 C ATOM 971 O GLU A 68 -2.977 0.873 9.824 1.00 0.00 O ATOM 972 CB GLU A 68 -1.169 -1.507 8.938 1.00 0.00 C ATOM 973 CG GLU A 68 -0.850 -2.370 7.731 1.00 0.00 C ATOM 974 CD GLU A 68 -1.060 -3.842 8.008 1.00 0.00 C ATOM 975 OE1 GLU A 68 -2.219 -4.303 7.932 1.00 0.00 O ATOM 976 OE2 GLU A 68 -0.069 -4.539 8.314 1.00 0.00 O ATOM 0 H GLU A 68 0.996 -0.331 8.691 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.596 0.229 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.485 -1.763 9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.175 -1.742 9.285 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.478 -2.067 6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.184 -2.203 7.430 1.00 0.00 H new ATOM 983 N LYS A 69 -0.960 1.254 10.741 1.00 0.00 N ATOM 984 CA LYS A 69 -1.493 2.002 11.876 1.00 0.00 C ATOM 985 C LYS A 69 -0.751 3.323 12.051 1.00 0.00 C ATOM 986 O LYS A 69 -0.636 3.844 13.162 1.00 0.00 O ATOM 987 CB LYS A 69 -1.403 1.173 13.162 1.00 0.00 C ATOM 988 CG LYS A 69 -2.276 -0.071 13.150 1.00 0.00 C ATOM 989 CD LYS A 69 -2.240 -0.786 14.488 1.00 0.00 C ATOM 990 CE LYS A 69 -3.231 -1.938 14.535 1.00 0.00 C ATOM 991 NZ LYS A 69 -3.265 -2.587 15.871 1.00 0.00 N ATOM 0 H LYS A 69 0.055 1.155 10.741 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.542 2.218 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.366 0.877 13.321 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.689 1.798 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.303 0.206 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.937 -0.747 12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.234 -1.163 14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.466 -0.078 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.226 -1.571 14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.964 -2.677 13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.953 -3.367 15.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.322 -2.960 16.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.544 -1.889 16.589 1.00 0.00 H new ATOM 1005 N GLU A 70 -0.265 3.863 10.944 1.00 0.00 N ATOM 1006 CA GLU A 70 0.500 5.101 10.965 1.00 0.00 C ATOM 1007 C GLU A 70 -0.396 6.299 10.682 1.00 0.00 C ATOM 1008 O GLU A 70 -1.604 6.161 10.466 1.00 0.00 O ATOM 1009 CB GLU A 70 1.625 5.039 9.934 1.00 0.00 C ATOM 1010 CG GLU A 70 2.734 4.064 10.295 1.00 0.00 C ATOM 1011 CD GLU A 70 3.572 4.531 11.464 1.00 0.00 C ATOM 1012 OE1 GLU A 70 4.557 5.260 11.226 1.00 0.00 O ATOM 1013 OE2 GLU A 70 3.263 4.168 12.612 1.00 0.00 O ATOM 0 H GLU A 70 -0.388 3.461 10.015 1.00 0.00 H new ATOM 0 HA GLU A 70 0.929 5.220 11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.205 4.756 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.053 6.035 9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.295 3.095 10.533 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.378 3.918 9.428 1.00 0.00 H new ATOM 1020 N THR A 71 0.200 7.477 10.679 1.00 0.00 N ATOM 1021 CA THR A 71 -0.549 8.696 10.462 1.00 0.00 C ATOM 1022 C THR A 71 -0.255 9.270 9.082 1.00 0.00 C ATOM 1023 O THR A 71 0.696 8.851 8.419 1.00 0.00 O ATOM 1024 CB THR A 71 -0.237 9.765 11.534 1.00 0.00 C ATOM 1025 OG1 THR A 71 1.076 10.301 11.343 1.00 0.00 O ATOM 1026 CG2 THR A 71 -0.347 9.185 12.939 1.00 0.00 C ATOM 0 H THR A 71 1.200 7.613 10.825 1.00 0.00 H new ATOM 0 HA THR A 71 -1.605 8.434 10.534 1.00 0.00 H new ATOM 0 HB THR A 71 -0.972 10.562 11.426 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.256 10.977 12.029 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.122 9.960 13.671 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.359 8.815 13.102 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.362 8.364 13.050 1.00 0.00 H new ATOM 1034 N HIS A 72 -1.055 10.234 8.658 1.00 0.00 N ATOM 1035 CA HIS A 72 -0.860 10.877 7.371 1.00 0.00 C ATOM 1036 C HIS A 72 0.487 11.590 7.348 1.00 0.00 C ATOM 1037 O HIS A 72 1.235 11.492 6.380 1.00 0.00 O ATOM 1038 CB HIS A 72 -2.005 11.858 7.082 1.00 0.00 C ATOM 1039 CG HIS A 72 -1.879 12.570 5.764 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -2.581 12.202 4.637 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -1.120 13.631 5.400 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -2.252 12.999 3.636 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -1.369 13.874 4.075 1.00 0.00 N ATOM 0 H HIS A 72 -1.849 10.589 9.190 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.864 10.117 6.589 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.950 11.314 7.101 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.047 12.598 7.881 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.444 14.183 6.036 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.640 12.943 2.630 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.940 14.613 3.518 1.00 0.00 H new ATOM 1052 N GLN A 73 0.794 12.292 8.426 1.00 0.00 N ATOM 1053 CA GLN A 73 2.076 12.970 8.553 1.00 0.00 C ATOM 1054 C GLN A 73 3.207 11.944 8.595 1.00 0.00 C ATOM 1055 O GLN A 73 4.283 12.155 8.038 1.00 0.00 O ATOM 1056 CB GLN A 73 2.093 13.814 9.826 1.00 0.00 C ATOM 1057 CG GLN A 73 3.268 14.769 9.907 1.00 0.00 C ATOM 1058 CD GLN A 73 3.325 15.505 11.229 1.00 0.00 C ATOM 1059 OE1 GLN A 73 2.299 15.737 11.872 1.00 0.00 O ATOM 1060 NE2 GLN A 73 4.523 15.877 11.640 1.00 0.00 N ATOM 0 H GLN A 73 0.173 12.408 9.227 1.00 0.00 H new ATOM 0 HA GLN A 73 2.220 13.622 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 73 1.167 14.385 9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.114 13.151 10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.195 14.213 9.764 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.201 15.492 9.094 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.345 15.664 11.075 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.627 16.378 12.523 1.00 0.00 H new ATOM 1069 N GLN A 74 2.927 10.824 9.246 1.00 0.00 N ATOM 1070 CA GLN A 74 3.893 9.757 9.432 1.00 0.00 C ATOM 1071 C GLN A 74 4.330 9.150 8.103 1.00 0.00 C ATOM 1072 O GLN A 74 5.517 8.921 7.870 1.00 0.00 O ATOM 1073 CB GLN A 74 3.254 8.684 10.303 1.00 0.00 C ATOM 1074 CG GLN A 74 4.042 8.337 11.545 1.00 0.00 C ATOM 1075 CD GLN A 74 4.111 9.474 12.550 1.00 0.00 C ATOM 1076 OE1 GLN A 74 4.058 10.651 12.194 1.00 0.00 O ATOM 1077 NE2 GLN A 74 4.228 9.126 13.820 1.00 0.00 N ATOM 0 H GLN A 74 2.016 10.631 9.662 1.00 0.00 H new ATOM 0 HA GLN A 74 4.783 10.167 9.909 1.00 0.00 H new ATOM 0 HB2 GLN A 74 2.260 9.019 10.600 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.122 7.781 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.591 7.467 12.022 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.054 8.054 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.269 8.140 14.077 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.277 9.844 14.543 1.00 0.00 H new ATOM 1086 N VAL A 75 3.369 8.881 7.233 1.00 0.00 N ATOM 1087 CA VAL A 75 3.679 8.342 5.918 1.00 0.00 C ATOM 1088 C VAL A 75 4.333 9.390 5.030 1.00 0.00 C ATOM 1089 O VAL A 75 5.269 9.092 4.291 1.00 0.00 O ATOM 1090 CB VAL A 75 2.445 7.759 5.210 1.00 0.00 C ATOM 1091 CG1 VAL A 75 2.080 6.418 5.818 1.00 0.00 C ATOM 1092 CG2 VAL A 75 1.264 8.710 5.278 1.00 0.00 C ATOM 0 H VAL A 75 2.375 9.026 7.411 1.00 0.00 H new ATOM 0 HA VAL A 75 4.382 7.526 6.086 1.00 0.00 H new ATOM 0 HB VAL A 75 2.696 7.618 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.205 6.014 5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.916 5.728 5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.857 6.547 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.409 8.266 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.007 8.897 6.321 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.526 9.651 4.795 1.00 0.00 H new ATOM 1102 N VAL A 76 3.837 10.617 5.113 1.00 0.00 N ATOM 1103 CA VAL A 76 4.416 11.735 4.375 1.00 0.00 C ATOM 1104 C VAL A 76 5.892 11.918 4.728 1.00 0.00 C ATOM 1105 O VAL A 76 6.708 12.229 3.861 1.00 0.00 O ATOM 1106 CB VAL A 76 3.637 13.047 4.629 1.00 0.00 C ATOM 1107 CG1 VAL A 76 4.401 14.256 4.110 1.00 0.00 C ATOM 1108 CG2 VAL A 76 2.274 12.976 3.966 1.00 0.00 C ATOM 0 H VAL A 76 3.031 10.866 5.687 1.00 0.00 H new ATOM 0 HA VAL A 76 4.339 11.497 3.314 1.00 0.00 H new ATOM 0 HB VAL A 76 3.514 13.162 5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.826 15.161 4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.364 14.323 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.562 14.152 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.731 13.903 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.399 12.835 2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.711 12.139 4.379 1.00 0.00 H new ATOM 1118 N SER A 77 6.233 11.697 5.992 1.00 0.00 N ATOM 1119 CA SER A 77 7.623 11.760 6.427 1.00 0.00 C ATOM 1120 C SER A 77 8.470 10.763 5.628 1.00 0.00 C ATOM 1121 O SER A 77 9.582 11.074 5.202 1.00 0.00 O ATOM 1122 CB SER A 77 7.718 11.463 7.928 1.00 0.00 C ATOM 1123 OG SER A 77 9.037 11.662 8.418 1.00 0.00 O ATOM 0 H SER A 77 5.568 11.473 6.732 1.00 0.00 H new ATOM 0 HA SER A 77 8.007 12.764 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.026 12.107 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.411 10.434 8.116 1.00 0.00 H new ATOM 0 HG SER A 77 9.063 11.466 9.378 1.00 0.00 H new ATOM 1129 N ARG A 78 7.922 9.572 5.412 1.00 0.00 N ATOM 1130 CA ARG A 78 8.581 8.544 4.609 1.00 0.00 C ATOM 1131 C ARG A 78 8.626 8.943 3.137 1.00 0.00 C ATOM 1132 O ARG A 78 9.598 8.664 2.436 1.00 0.00 O ATOM 1133 CB ARG A 78 7.853 7.214 4.769 1.00 0.00 C ATOM 1134 CG ARG A 78 7.941 6.653 6.173 1.00 0.00 C ATOM 1135 CD ARG A 78 7.001 5.480 6.360 1.00 0.00 C ATOM 1136 NE ARG A 78 7.210 4.820 7.640 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.401 4.943 8.690 1.00 0.00 C ATOM 1138 NH1 ARG A 78 5.348 5.747 8.640 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.644 4.266 9.800 1.00 0.00 N ATOM 0 H ARG A 78 7.015 9.292 5.785 1.00 0.00 H new ATOM 0 HA ARG A 78 9.606 8.438 4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.804 7.346 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.271 6.491 4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.964 6.337 6.377 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.699 7.434 6.894 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.970 5.826 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.149 4.763 5.553 1.00 0.00 H new ATOM 0 HE ARG A 78 8.031 4.223 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.152 6.278 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.734 5.834 9.450 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.453 3.647 9.853 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.022 4.363 10.603 1.00 0.00 H new ATOM 1153 N ILE A 79 7.565 9.594 2.671 1.00 0.00 N ATOM 1154 CA ILE A 79 7.515 10.105 1.305 1.00 0.00 C ATOM 1155 C ILE A 79 8.582 11.182 1.113 1.00 0.00 C ATOM 1156 O ILE A 79 9.143 11.332 0.031 1.00 0.00 O ATOM 1157 CB ILE A 79 6.120 10.679 0.961 1.00 0.00 C ATOM 1158 CG1 ILE A 79 5.041 9.611 1.157 1.00 0.00 C ATOM 1159 CG2 ILE A 79 6.091 11.200 -0.471 1.00 0.00 C ATOM 1160 CD1 ILE A 79 3.634 10.122 0.939 1.00 0.00 C ATOM 0 H ILE A 79 6.726 9.781 3.220 1.00 0.00 H new ATOM 0 HA ILE A 79 7.709 9.272 0.630 1.00 0.00 H new ATOM 0 HB ILE A 79 5.917 11.511 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.229 8.786 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.120 9.208 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.101 11.599 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.835 11.988 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.316 10.385 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.924 9.310 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.426 10.927 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.537 10.498 -0.080 1.00 0.00 H new ATOM 1172 N ARG A 80 8.852 11.925 2.181 1.00 0.00 N ATOM 1173 CA ARG A 80 9.907 12.937 2.183 1.00 0.00 C ATOM 1174 C ARG A 80 11.288 12.283 2.158 1.00 0.00 C ATOM 1175 O ARG A 80 12.277 12.907 1.777 1.00 0.00 O ATOM 1176 CB ARG A 80 9.768 13.851 3.409 1.00 0.00 C ATOM 1177 CG ARG A 80 9.052 15.176 3.146 1.00 0.00 C ATOM 1178 CD ARG A 80 7.620 14.997 2.652 1.00 0.00 C ATOM 1179 NE ARG A 80 7.562 14.497 1.275 1.00 0.00 N ATOM 1180 CZ ARG A 80 7.261 15.248 0.210 1.00 0.00 C ATOM 1181 NH1 ARG A 80 6.853 16.504 0.361 1.00 0.00 N ATOM 1182 NH2 ARG A 80 7.342 14.729 -1.009 1.00 0.00 N ATOM 0 H ARG A 80 8.350 11.845 3.065 1.00 0.00 H new ATOM 0 HA ARG A 80 9.802 13.542 1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.228 13.311 4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 80 10.763 14.064 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 80 9.042 15.765 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.616 15.746 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.096 14.304 3.310 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.096 15.951 2.712 1.00 0.00 H new ATOM 0 HE ARG A 80 7.765 13.510 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.767 16.903 1.296 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.626 17.068 -0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.633 13.759 -1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.113 15.300 -1.823 1.00 0.00 H new ATOM 1196 N ALA A 81 11.348 11.024 2.573 1.00 0.00 N ATOM 1197 CA ALA A 81 12.586 10.260 2.531 1.00 0.00 C ATOM 1198 C ALA A 81 12.826 9.710 1.125 1.00 0.00 C ATOM 1199 O ALA A 81 13.940 9.315 0.781 1.00 0.00 O ATOM 1200 CB ALA A 81 12.551 9.135 3.554 1.00 0.00 C ATOM 0 H ALA A 81 10.549 10.509 2.944 1.00 0.00 H new ATOM 0 HA ALA A 81 13.413 10.923 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.484 8.574 3.509 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.427 9.555 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.716 8.469 3.334 1.00 0.00 H new ATOM 1206 N ALA A 82 11.766 9.671 0.325 1.00 0.00 N ATOM 1207 CA ALA A 82 11.873 9.298 -1.073 1.00 0.00 C ATOM 1208 C ALA A 82 12.218 10.522 -1.909 1.00 0.00 C ATOM 1209 O ALA A 82 11.468 11.498 -1.940 1.00 0.00 O ATOM 1210 CB ALA A 82 10.577 8.675 -1.552 1.00 0.00 C ATOM 0 H ALA A 82 10.818 9.896 0.628 1.00 0.00 H new ATOM 0 HA ALA A 82 12.669 8.561 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.672 8.400 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.362 7.784 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.764 9.392 -1.437 1.00 0.00 H new ATOM 1216 N LEU A 83 13.360 10.460 -2.572 1.00 0.00 N ATOM 1217 CA LEU A 83 13.878 11.598 -3.318 1.00 0.00 C ATOM 1218 C LEU A 83 13.304 11.644 -4.722 1.00 0.00 C ATOM 1219 O LEU A 83 12.609 12.589 -5.095 1.00 0.00 O ATOM 1220 CB LEU A 83 15.406 11.535 -3.403 1.00 0.00 C ATOM 1221 CG LEU A 83 16.172 11.938 -2.137 1.00 0.00 C ATOM 1222 CD1 LEU A 83 15.745 13.320 -1.665 1.00 0.00 C ATOM 1223 CD2 LEU A 83 15.989 10.912 -1.030 1.00 0.00 C ATOM 0 H LEU A 83 13.950 9.629 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 83 13.578 12.500 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 83 15.693 10.517 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 83 15.731 12.180 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 83 17.232 11.973 -2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 83 16.301 13.585 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.950 14.051 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 83 14.678 13.315 -1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.544 11.227 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.931 10.828 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.361 9.944 -1.366 1.00 0.00 H new ATOM 1235 N ASN A 84 13.602 10.621 -5.498 1.00 0.00 N ATOM 1236 CA ASN A 84 13.215 10.594 -6.897 1.00 0.00 C ATOM 1237 C ASN A 84 12.082 9.612 -7.110 1.00 0.00 C ATOM 1238 O ASN A 84 11.282 9.763 -8.030 1.00 0.00 O ATOM 1239 CB ASN A 84 14.408 10.210 -7.778 1.00 0.00 C ATOM 1240 CG ASN A 84 15.545 11.211 -7.697 1.00 0.00 C ATOM 1241 OD1 ASN A 84 15.599 12.164 -8.470 1.00 0.00 O ATOM 1242 ND2 ASN A 84 16.472 10.993 -6.775 1.00 0.00 N ATOM 0 H ASN A 84 14.112 9.795 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 84 12.878 11.592 -7.178 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.773 9.227 -7.479 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.077 10.126 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 84 17.265 11.628 -6.689 1.00 0.00 H new ATOM 0 HD22 ASN A 84 16.392 10.190 -6.151 1.00 0.00 H new ATOM 1249 N ALA A 85 12.021 8.603 -6.255 1.00 0.00 N ATOM 1250 CA ALA A 85 10.992 7.581 -6.353 1.00 0.00 C ATOM 1251 C ALA A 85 10.683 6.985 -4.986 1.00 0.00 C ATOM 1252 O ALA A 85 11.531 6.993 -4.092 1.00 0.00 O ATOM 1253 CB ALA A 85 11.419 6.492 -7.324 1.00 0.00 C ATOM 0 H ALA A 85 12.675 8.470 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 85 10.083 8.049 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.638 5.734 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.582 6.927 -8.310 1.00 0.00 H new ATOM 0 HB3 ALA A 85 12.343 6.033 -6.972 1.00 0.00 H new ATOM 1259 N VAL A 86 9.478 6.455 -4.839 1.00 0.00 N ATOM 1260 CA VAL A 86 9.039 5.862 -3.584 1.00 0.00 C ATOM 1261 C VAL A 86 8.419 4.485 -3.849 1.00 0.00 C ATOM 1262 O VAL A 86 7.925 4.221 -4.946 1.00 0.00 O ATOM 1263 CB VAL A 86 8.003 6.766 -2.865 1.00 0.00 C ATOM 1264 CG1 VAL A 86 6.695 6.829 -3.636 1.00 0.00 C ATOM 1265 CG2 VAL A 86 7.763 6.297 -1.437 1.00 0.00 C ATOM 0 H VAL A 86 8.780 6.424 -5.582 1.00 0.00 H new ATOM 0 HA VAL A 86 9.910 5.758 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 86 8.419 7.773 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.991 7.470 -3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.878 7.236 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.277 5.826 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.033 6.949 -0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.384 5.275 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.700 6.331 -0.881 1.00 0.00 H new ATOM 1275 N ARG A 87 8.467 3.602 -2.860 1.00 0.00 N ATOM 1276 CA ARG A 87 7.815 2.302 -2.972 1.00 0.00 C ATOM 1277 C ARG A 87 6.567 2.276 -2.105 1.00 0.00 C ATOM 1278 O ARG A 87 6.634 2.558 -0.912 1.00 0.00 O ATOM 1279 CB ARG A 87 8.755 1.168 -2.547 1.00 0.00 C ATOM 1280 CG ARG A 87 10.019 1.067 -3.384 1.00 0.00 C ATOM 1281 CD ARG A 87 10.825 -0.172 -3.028 1.00 0.00 C ATOM 1282 NE ARG A 87 11.157 -0.233 -1.603 1.00 0.00 N ATOM 1283 CZ ARG A 87 11.469 -1.359 -0.962 1.00 0.00 C ATOM 1284 NH1 ARG A 87 11.488 -2.514 -1.612 1.00 0.00 N ATOM 1285 NH2 ARG A 87 11.759 -1.327 0.332 1.00 0.00 N ATOM 0 H ARG A 87 8.948 3.760 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 87 7.545 2.150 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.033 1.313 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.216 0.222 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.755 1.040 -4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.630 1.956 -3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.259 -1.062 -3.305 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.745 -0.184 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 87 11.149 0.637 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.263 -2.543 -2.607 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.727 -3.374 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.743 -0.441 0.836 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.998 -2.189 0.823 1.00 0.00 H new ATOM 1299 N LEU A 88 5.435 1.953 -2.698 1.00 0.00 N ATOM 1300 CA LEU A 88 4.187 1.899 -1.957 1.00 0.00 C ATOM 1301 C LEU A 88 3.584 0.506 -2.029 1.00 0.00 C ATOM 1302 O LEU A 88 3.431 -0.058 -3.110 1.00 0.00 O ATOM 1303 CB LEU A 88 3.197 2.929 -2.503 1.00 0.00 C ATOM 1304 CG LEU A 88 3.643 4.388 -2.373 1.00 0.00 C ATOM 1305 CD1 LEU A 88 2.618 5.313 -3.000 1.00 0.00 C ATOM 1306 CD2 LEU A 88 3.867 4.753 -0.912 1.00 0.00 C ATOM 0 H LEU A 88 5.352 1.724 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 88 4.398 2.134 -0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.015 2.713 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.246 2.808 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 88 4.587 4.507 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.950 6.346 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.506 5.069 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.660 5.189 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.183 5.794 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.939 4.617 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.639 4.110 -0.491 1.00 0.00 H new ATOM 1318 N LEU A 89 3.266 -0.052 -0.877 1.00 0.00 N ATOM 1319 CA LEU A 89 2.628 -1.356 -0.816 1.00 0.00 C ATOM 1320 C LEU A 89 1.149 -1.184 -0.514 1.00 0.00 C ATOM 1321 O LEU A 89 0.783 -0.673 0.544 1.00 0.00 O ATOM 1322 CB LEU A 89 3.269 -2.223 0.266 1.00 0.00 C ATOM 1323 CG LEU A 89 2.715 -3.645 0.353 1.00 0.00 C ATOM 1324 CD1 LEU A 89 3.336 -4.528 -0.715 1.00 0.00 C ATOM 1325 CD2 LEU A 89 2.956 -4.225 1.734 1.00 0.00 C ATOM 0 H LEU A 89 3.439 0.377 0.032 1.00 0.00 H new ATOM 0 HA LEU A 89 2.756 -1.849 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.342 -2.276 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.134 -1.735 1.231 1.00 0.00 H new ATOM 0 HG LEU A 89 1.640 -3.606 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.928 -5.536 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.109 -4.121 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.417 -4.562 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.555 -5.238 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.027 -4.249 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.459 -3.605 2.481 1.00 0.00 H new ATOM 1337 N VAL A 90 0.303 -1.592 -1.443 1.00 0.00 N ATOM 1338 CA VAL A 90 -1.135 -1.460 -1.261 1.00 0.00 C ATOM 1339 C VAL A 90 -1.849 -2.769 -1.562 1.00 0.00 C ATOM 1340 O VAL A 90 -1.363 -3.588 -2.344 1.00 0.00 O ATOM 1341 CB VAL A 90 -1.729 -0.345 -2.152 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -1.186 1.020 -1.760 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -1.456 -0.627 -3.623 1.00 0.00 C ATOM 0 H VAL A 90 0.583 -2.016 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.291 -1.193 -0.216 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.808 -0.335 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.622 1.784 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.444 1.230 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.102 1.026 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.883 0.170 -4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.380 -0.675 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.909 -1.578 -3.901 1.00 0.00 H new ATOM 1353 N VAL A 91 -3.007 -2.942 -0.945 1.00 0.00 N ATOM 1354 CA VAL A 91 -3.784 -4.164 -1.091 1.00 0.00 C ATOM 1355 C VAL A 91 -5.247 -3.830 -1.395 1.00 0.00 C ATOM 1356 O VAL A 91 -5.759 -2.789 -0.971 1.00 0.00 O ATOM 1357 CB VAL A 91 -3.691 -5.031 0.192 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -4.334 -4.324 1.375 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -4.314 -6.403 -0.022 1.00 0.00 C ATOM 0 H VAL A 91 -3.433 -2.246 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.371 -4.734 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.634 -5.176 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.255 -4.953 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.823 -3.378 1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.385 -4.133 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.233 -6.986 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.365 -6.288 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.791 -6.919 -0.827 1.00 0.00 H new ATOM 1369 N ASP A 92 -5.899 -4.700 -2.162 1.00 0.00 N ATOM 1370 CA ASP A 92 -7.312 -4.539 -2.494 1.00 0.00 C ATOM 1371 C ASP A 92 -8.172 -4.735 -1.251 1.00 0.00 C ATOM 1372 O ASP A 92 -8.125 -5.787 -0.613 1.00 0.00 O ATOM 1373 CB ASP A 92 -7.736 -5.543 -3.573 1.00 0.00 C ATOM 1374 CG ASP A 92 -7.100 -5.272 -4.921 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -5.992 -5.785 -5.175 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -7.712 -4.554 -5.745 1.00 0.00 O ATOM 0 H ASP A 92 -5.467 -5.530 -2.568 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.455 -3.529 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.471 -6.549 -3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.821 -5.518 -3.678 1.00 0.00 H new ATOM 1381 N PRO A 93 -8.990 -3.719 -0.914 1.00 0.00 N ATOM 1382 CA PRO A 93 -9.785 -3.691 0.326 1.00 0.00 C ATOM 1383 C PRO A 93 -10.724 -4.879 0.466 1.00 0.00 C ATOM 1384 O PRO A 93 -10.992 -5.332 1.575 1.00 0.00 O ATOM 1385 CB PRO A 93 -10.596 -2.397 0.211 1.00 0.00 C ATOM 1386 CG PRO A 93 -9.846 -1.557 -0.757 1.00 0.00 C ATOM 1387 CD PRO A 93 -9.205 -2.507 -1.724 1.00 0.00 C ATOM 0 HA PRO A 93 -9.139 -3.739 1.203 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.608 -2.596 -0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -10.686 -1.901 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.514 -0.867 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.095 -0.953 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.849 -2.705 -2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.267 -2.112 -2.114 1.00 0.00 H new ATOM 1395 N GLU A 94 -11.212 -5.381 -0.659 1.00 0.00 N ATOM 1396 CA GLU A 94 -12.134 -6.507 -0.655 1.00 0.00 C ATOM 1397 C GLU A 94 -11.467 -7.721 -0.021 1.00 0.00 C ATOM 1398 O GLU A 94 -12.031 -8.389 0.845 1.00 0.00 O ATOM 1399 CB GLU A 94 -12.554 -6.852 -2.087 1.00 0.00 C ATOM 1400 CG GLU A 94 -12.964 -5.649 -2.919 1.00 0.00 C ATOM 1401 CD GLU A 94 -14.207 -4.964 -2.394 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -15.319 -5.368 -2.788 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -14.076 -4.006 -1.605 1.00 0.00 O ATOM 0 H GLU A 94 -10.984 -5.026 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.017 -6.232 -0.078 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.728 -7.360 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -13.385 -7.556 -2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.143 -4.933 -2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.138 -5.967 -3.947 1.00 0.00 H new ATOM 1410 N THR A 95 -10.257 -7.997 -0.473 1.00 0.00 N ATOM 1411 CA THR A 95 -9.478 -9.108 0.028 1.00 0.00 C ATOM 1412 C THR A 95 -8.935 -8.818 1.426 1.00 0.00 C ATOM 1413 O THR A 95 -8.865 -9.707 2.274 1.00 0.00 O ATOM 1414 CB THR A 95 -8.326 -9.417 -0.931 1.00 0.00 C ATOM 1415 OG1 THR A 95 -8.789 -9.267 -2.280 1.00 0.00 O ATOM 1416 CG2 THR A 95 -7.832 -10.833 -0.719 1.00 0.00 C ATOM 0 H THR A 95 -9.789 -7.455 -1.199 1.00 0.00 H new ATOM 0 HA THR A 95 -10.133 -9.977 0.094 1.00 0.00 H new ATOM 0 HB THR A 95 -7.504 -8.727 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.505 -8.396 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.013 -11.039 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.481 -10.946 0.307 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.646 -11.534 -0.903 1.00 0.00 H new ATOM 1424 N ASP A 96 -8.574 -7.562 1.658 1.00 0.00 N ATOM 1425 CA ASP A 96 -7.973 -7.138 2.922 1.00 0.00 C ATOM 1426 C ASP A 96 -8.883 -7.474 4.100 1.00 0.00 C ATOM 1427 O ASP A 96 -8.418 -7.942 5.141 1.00 0.00 O ATOM 1428 CB ASP A 96 -7.704 -5.632 2.881 1.00 0.00 C ATOM 1429 CG ASP A 96 -7.027 -5.115 4.134 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -5.786 -5.198 4.216 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -7.733 -4.596 5.026 1.00 0.00 O ATOM 0 H ASP A 96 -8.688 -6.809 0.980 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.033 -7.674 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.079 -5.404 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.647 -5.104 2.741 1.00 0.00 H new ATOM 1436 N GLU A 97 -10.181 -7.272 3.912 1.00 0.00 N ATOM 1437 CA GLU A 97 -11.155 -7.522 4.966 1.00 0.00 C ATOM 1438 C GLU A 97 -11.153 -8.989 5.405 1.00 0.00 C ATOM 1439 O GLU A 97 -11.221 -9.280 6.596 1.00 0.00 O ATOM 1440 CB GLU A 97 -12.551 -7.098 4.514 1.00 0.00 C ATOM 1441 CG GLU A 97 -12.658 -5.610 4.226 1.00 0.00 C ATOM 1442 CD GLU A 97 -14.085 -5.153 4.013 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -14.657 -5.445 2.944 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -14.642 -4.500 4.921 1.00 0.00 O ATOM 0 H GLU A 97 -10.584 -6.935 3.038 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.867 -6.922 5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.821 -7.656 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -13.273 -7.366 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.223 -5.052 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.070 -5.373 3.339 1.00 0.00 H new ATOM 1451 N GLN A 98 -11.099 -9.919 4.455 1.00 0.00 N ATOM 1452 CA GLN A 98 -11.011 -11.331 4.815 1.00 0.00 C ATOM 1453 C GLN A 98 -9.607 -11.685 5.319 1.00 0.00 C ATOM 1454 O GLN A 98 -9.459 -12.436 6.285 1.00 0.00 O ATOM 1455 CB GLN A 98 -11.431 -12.255 3.662 1.00 0.00 C ATOM 1456 CG GLN A 98 -10.576 -12.146 2.413 1.00 0.00 C ATOM 1457 CD GLN A 98 -10.844 -13.271 1.433 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -10.192 -14.312 1.475 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -11.813 -13.083 0.553 1.00 0.00 N ATOM 0 H GLN A 98 -11.114 -9.728 3.453 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.719 -11.495 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -11.405 -13.286 4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.465 -12.035 3.397 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -10.768 -11.190 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -9.523 -12.155 2.694 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.334 -12.206 0.547 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.040 -13.815 -0.120 1.00 0.00 H new ATOM 1468 N LEU A 99 -8.582 -11.124 4.674 1.00 0.00 N ATOM 1469 CA LEU A 99 -7.193 -11.454 4.996 1.00 0.00 C ATOM 1470 C LEU A 99 -6.808 -11.019 6.406 1.00 0.00 C ATOM 1471 O LEU A 99 -6.015 -11.688 7.056 1.00 0.00 O ATOM 1472 CB LEU A 99 -6.229 -10.831 3.986 1.00 0.00 C ATOM 1473 CG LEU A 99 -6.169 -11.524 2.624 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -5.277 -10.738 1.681 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -5.652 -12.953 2.768 1.00 0.00 C ATOM 0 H LEU A 99 -8.688 -10.439 3.926 1.00 0.00 H new ATOM 0 HA LEU A 99 -7.115 -12.540 4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.513 -9.790 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.228 -10.829 4.418 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.177 -11.564 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.240 -11.239 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.678 -9.732 1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.271 -10.678 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.617 -13.428 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.651 -12.936 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.318 -13.517 3.421 1.00 0.00 H new ATOM 1487 N GLN A 100 -7.360 -9.902 6.876 1.00 0.00 N ATOM 1488 CA GLN A 100 -7.083 -9.436 8.237 1.00 0.00 C ATOM 1489 C GLN A 100 -7.525 -10.486 9.262 1.00 0.00 C ATOM 1490 O GLN A 100 -6.902 -10.649 10.310 1.00 0.00 O ATOM 1491 CB GLN A 100 -7.753 -8.085 8.521 1.00 0.00 C ATOM 1492 CG GLN A 100 -9.271 -8.124 8.519 1.00 0.00 C ATOM 1493 CD GLN A 100 -9.894 -6.811 8.948 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -10.202 -5.951 8.123 1.00 0.00 O ATOM 1495 NE2 GLN A 100 -10.074 -6.643 10.248 1.00 0.00 N ATOM 0 H GLN A 100 -7.995 -9.307 6.343 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.006 -9.291 8.325 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.412 -7.721 9.490 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.419 -7.364 7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.622 -8.377 7.519 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.610 -8.917 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -9.805 -7.380 10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.481 -5.776 10.599 1.00 0.00 H new ATOM 1504 N LYS A 101 -8.608 -11.188 8.947 1.00 0.00 N ATOM 1505 CA LYS A 101 -9.117 -12.259 9.801 1.00 0.00 C ATOM 1506 C LYS A 101 -8.194 -13.470 9.738 1.00 0.00 C ATOM 1507 O LYS A 101 -7.958 -14.141 10.740 1.00 0.00 O ATOM 1508 CB LYS A 101 -10.527 -12.666 9.357 1.00 0.00 C ATOM 1509 CG LYS A 101 -11.521 -11.519 9.360 1.00 0.00 C ATOM 1510 CD LYS A 101 -12.840 -11.889 8.690 1.00 0.00 C ATOM 1511 CE LYS A 101 -13.654 -12.890 9.500 1.00 0.00 C ATOM 1512 NZ LYS A 101 -13.224 -14.296 9.276 1.00 0.00 N ATOM 0 H LYS A 101 -9.155 -11.034 8.100 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.156 -11.892 10.827 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.475 -13.088 8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.893 -13.454 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.713 -11.211 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.084 -10.662 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.431 -10.986 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.637 -12.307 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.564 -12.652 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.708 -12.791 9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.060 -14.893 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.598 -14.340 8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.713 -14.640 10.114 1.00 0.00 H new ATOM 1526 N LEU A 102 -7.672 -13.727 8.546 1.00 0.00 N ATOM 1527 CA LEU A 102 -6.837 -14.894 8.295 1.00 0.00 C ATOM 1528 C LEU A 102 -5.423 -14.698 8.842 1.00 0.00 C ATOM 1529 O LEU A 102 -4.860 -15.594 9.476 1.00 0.00 O ATOM 1530 CB LEU A 102 -6.788 -15.167 6.789 1.00 0.00 C ATOM 1531 CG LEU A 102 -8.149 -15.442 6.141 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -8.075 -15.265 4.629 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -8.629 -16.842 6.487 1.00 0.00 C ATOM 0 H LEU A 102 -7.815 -13.134 7.728 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.274 -15.749 8.811 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.332 -14.310 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.137 -16.023 6.610 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.865 -14.721 6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.053 -15.465 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.776 -14.243 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.343 -15.960 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.597 -17.021 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.909 -17.574 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.726 -16.936 7.569 1.00 0.00 H new ATOM 1545 N GLY A 103 -4.860 -13.525 8.598 1.00 0.00 N ATOM 1546 CA GLY A 103 -3.515 -13.221 9.048 1.00 0.00 C ATOM 1547 C GLY A 103 -2.789 -12.329 8.063 1.00 0.00 C ATOM 1548 O GLY A 103 -2.189 -12.812 7.103 1.00 0.00 O ATOM 0 H GLY A 103 -5.317 -12.768 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.558 -12.731 10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.957 -14.148 9.182 1.00 0.00 H new ATOM 1552 N VAL A 104 -2.837 -11.023 8.290 1.00 0.00 N ATOM 1553 CA VAL A 104 -2.260 -10.073 7.350 1.00 0.00 C ATOM 1554 C VAL A 104 -0.749 -9.900 7.559 1.00 0.00 C ATOM 1555 O VAL A 104 -0.288 -9.133 8.406 1.00 0.00 O ATOM 1556 CB VAL A 104 -2.988 -8.702 7.394 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -3.082 -8.160 8.812 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -2.305 -7.698 6.479 1.00 0.00 C ATOM 0 H VAL A 104 -3.267 -10.600 9.112 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.406 -10.494 6.355 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.005 -8.861 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.598 -7.200 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.637 -8.863 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.079 -8.029 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.832 -6.745 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.273 -7.558 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.320 -8.070 5.455 1.00 0.00 H new ATOM 1568 N GLN A 105 0.016 -10.651 6.776 1.00 0.00 N ATOM 1569 CA GLN A 105 1.473 -10.540 6.760 1.00 0.00 C ATOM 1570 C GLN A 105 1.925 -9.994 5.410 1.00 0.00 C ATOM 1571 O GLN A 105 3.032 -10.266 4.941 1.00 0.00 O ATOM 1572 CB GLN A 105 2.109 -11.910 6.992 1.00 0.00 C ATOM 1573 CG GLN A 105 1.749 -12.550 8.324 1.00 0.00 C ATOM 1574 CD GLN A 105 2.428 -11.888 9.511 1.00 0.00 C ATOM 1575 OE1 GLN A 105 2.695 -10.687 9.510 1.00 0.00 O ATOM 1576 NE2 GLN A 105 2.719 -12.677 10.534 1.00 0.00 N ATOM 0 H GLN A 105 -0.353 -11.353 6.135 1.00 0.00 H new ATOM 0 HA GLN A 105 1.786 -9.864 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.806 -12.579 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.193 -11.809 6.932 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.669 -12.505 8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.024 -13.605 8.299 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.481 -13.668 10.497 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.181 -12.293 11.359 1.00 0.00 H new ATOM 1585 N VAL A 106 1.050 -9.215 4.797 1.00 0.00 N ATOM 1586 CA VAL A 106 1.215 -8.769 3.416 1.00 0.00 C ATOM 1587 C VAL A 106 2.405 -7.826 3.207 1.00 0.00 C ATOM 1588 O VAL A 106 2.809 -7.605 2.068 1.00 0.00 O ATOM 1589 CB VAL A 106 -0.071 -8.098 2.880 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -1.255 -9.046 2.988 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -0.362 -6.785 3.589 1.00 0.00 C ATOM 0 H VAL A 106 0.199 -8.870 5.242 1.00 0.00 H new ATOM 0 HA VAL A 106 1.420 -9.678 2.851 1.00 0.00 H new ATOM 0 HB VAL A 106 0.094 -7.867 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.150 -8.555 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.056 -9.944 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.409 -9.319 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.273 -6.346 3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.492 -6.968 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.470 -6.098 3.438 1.00 0.00 H new ATOM 1601 N ARG A 107 2.969 -7.286 4.292 1.00 0.00 N ATOM 1602 CA ARG A 107 3.915 -6.168 4.190 1.00 0.00 C ATOM 1603 C ARG A 107 5.136 -6.500 3.323 1.00 0.00 C ATOM 1604 O ARG A 107 5.608 -5.648 2.578 1.00 0.00 O ATOM 1605 CB ARG A 107 4.375 -5.686 5.574 1.00 0.00 C ATOM 1606 CG ARG A 107 5.314 -6.641 6.297 1.00 0.00 C ATOM 1607 CD ARG A 107 6.481 -5.892 6.933 1.00 0.00 C ATOM 1608 NE ARG A 107 7.204 -5.080 5.952 1.00 0.00 N ATOM 1609 CZ ARG A 107 8.452 -5.309 5.550 1.00 0.00 C ATOM 1610 NH1 ARG A 107 9.170 -6.282 6.100 1.00 0.00 N ATOM 1611 NH2 ARG A 107 8.987 -4.557 4.598 1.00 0.00 N ATOM 0 H ARG A 107 2.789 -7.602 5.245 1.00 0.00 H new ATOM 0 HA ARG A 107 3.368 -5.363 3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.873 -4.723 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.496 -5.520 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.764 -7.183 7.066 1.00 0.00 H new ATOM 0 HG3 ARG A 107 5.694 -7.383 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 107 6.109 -5.251 7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 107 7.166 -6.606 7.390 1.00 0.00 H new ATOM 0 HE ARG A 107 6.716 -4.281 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.766 -6.860 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.126 -6.451 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.442 -3.805 4.176 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.943 -4.730 4.288 1.00 0.00 H new ATOM 1625 N GLU A 108 5.641 -7.725 3.401 1.00 0.00 N ATOM 1626 CA GLU A 108 6.777 -8.111 2.570 1.00 0.00 C ATOM 1627 C GLU A 108 6.910 -9.628 2.489 1.00 0.00 C ATOM 1628 O GLU A 108 7.544 -10.152 1.576 1.00 0.00 O ATOM 1629 CB GLU A 108 8.074 -7.494 3.104 1.00 0.00 C ATOM 1630 CG GLU A 108 9.260 -7.633 2.162 1.00 0.00 C ATOM 1631 CD GLU A 108 10.520 -6.983 2.704 1.00 0.00 C ATOM 1632 OE1 GLU A 108 10.835 -7.184 3.896 1.00 0.00 O ATOM 1633 OE2 GLU A 108 11.211 -6.274 1.938 1.00 0.00 O ATOM 0 H GLU A 108 5.291 -8.457 4.019 1.00 0.00 H new ATOM 0 HA GLU A 108 6.597 -7.730 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.905 -6.436 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 108 8.322 -7.963 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.452 -8.690 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.009 -7.184 1.201 1.00 0.00 H new ATOM 1640 N GLU A 109 6.306 -10.334 3.442 1.00 0.00 N ATOM 1641 CA GLU A 109 6.303 -11.797 3.427 1.00 0.00 C ATOM 1642 C GLU A 109 5.741 -12.322 2.110 1.00 0.00 C ATOM 1643 O GLU A 109 6.211 -13.325 1.573 1.00 0.00 O ATOM 1644 CB GLU A 109 5.484 -12.343 4.597 1.00 0.00 C ATOM 1645 CG GLU A 109 6.120 -12.091 5.953 1.00 0.00 C ATOM 1646 CD GLU A 109 7.381 -12.904 6.156 1.00 0.00 C ATOM 1647 OE1 GLU A 109 8.461 -12.476 5.692 1.00 0.00 O ATOM 1648 OE2 GLU A 109 7.298 -13.987 6.769 1.00 0.00 O ATOM 0 H GLU A 109 5.813 -9.919 4.233 1.00 0.00 H new ATOM 0 HA GLU A 109 7.333 -12.138 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.493 -11.889 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.345 -13.416 4.464 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.354 -11.031 6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.404 -12.333 6.738 1.00 0.00 H new ATOM 1655 N LEU A 110 4.747 -11.620 1.581 1.00 0.00 N ATOM 1656 CA LEU A 110 4.155 -11.984 0.305 1.00 0.00 C ATOM 1657 C LEU A 110 5.037 -11.545 -0.852 1.00 0.00 C ATOM 1658 O LEU A 110 5.051 -12.177 -1.905 1.00 0.00 O ATOM 1659 CB LEU A 110 2.754 -11.391 0.163 1.00 0.00 C ATOM 1660 CG LEU A 110 1.624 -12.311 0.623 1.00 0.00 C ATOM 1661 CD1 LEU A 110 1.650 -13.606 -0.175 1.00 0.00 C ATOM 1662 CD2 LEU A 110 1.729 -12.595 2.114 1.00 0.00 C ATOM 0 H LEU A 110 4.335 -10.795 2.018 1.00 0.00 H new ATOM 0 HA LEU A 110 4.072 -13.070 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 110 2.706 -10.465 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.589 -11.129 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 110 0.673 -11.809 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.841 -14.256 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.522 -13.383 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.605 -14.108 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.914 -13.252 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.683 -13.078 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.666 -11.658 2.668 1.00 0.00 H new ATOM 1674 N LEU A 111 5.794 -10.480 -0.640 1.00 0.00 N ATOM 1675 CA LEU A 111 6.704 -9.976 -1.658 1.00 0.00 C ATOM 1676 C LEU A 111 7.929 -10.876 -1.762 1.00 0.00 C ATOM 1677 O LEU A 111 8.628 -10.881 -2.774 1.00 0.00 O ATOM 1678 CB LEU A 111 7.123 -8.536 -1.356 1.00 0.00 C ATOM 1679 CG LEU A 111 6.044 -7.476 -1.595 1.00 0.00 C ATOM 1680 CD1 LEU A 111 5.480 -7.594 -3.001 1.00 0.00 C ATOM 1681 CD2 LEU A 111 4.932 -7.578 -0.562 1.00 0.00 C ATOM 0 H LEU A 111 5.797 -9.947 0.229 1.00 0.00 H new ATOM 0 HA LEU A 111 6.181 -9.981 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.441 -8.478 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 111 7.991 -8.292 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 111 6.509 -6.496 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.715 -6.832 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.280 -7.452 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.039 -8.582 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.181 -6.812 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.470 -8.563 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 111 5.347 -7.432 0.435 1.00 0.00 H new ATOM 1693 N ARG A 112 8.188 -11.616 -0.690 1.00 0.00 N ATOM 1694 CA ARG A 112 9.192 -12.671 -0.693 1.00 0.00 C ATOM 1695 C ARG A 112 8.823 -13.721 -1.732 1.00 0.00 C ATOM 1696 O ARG A 112 9.693 -14.300 -2.383 1.00 0.00 O ATOM 1697 CB ARG A 112 9.254 -13.327 0.687 1.00 0.00 C ATOM 1698 CG ARG A 112 10.235 -14.481 0.770 1.00 0.00 C ATOM 1699 CD ARG A 112 9.850 -15.452 1.868 1.00 0.00 C ATOM 1700 NE ARG A 112 9.782 -14.815 3.183 1.00 0.00 N ATOM 1701 CZ ARG A 112 10.078 -15.433 4.325 1.00 0.00 C ATOM 1702 NH1 ARG A 112 10.589 -16.660 4.313 1.00 0.00 N ATOM 1703 NH2 ARG A 112 9.882 -14.822 5.486 1.00 0.00 N ATOM 0 H ARG A 112 7.709 -11.501 0.203 1.00 0.00 H new ATOM 0 HA ARG A 112 10.164 -12.241 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 112 9.529 -12.574 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.260 -13.687 0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.267 -15.004 -0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 112 11.238 -14.096 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 112 8.883 -15.896 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 112 10.575 -16.265 1.899 1.00 0.00 H new ATOM 0 HE ARG A 112 9.490 -13.839 3.228 1.00 0.00 H new ATOM 0 HH11 ARG A 112 10.757 -17.134 3.426 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.813 -17.128 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 112 9.503 -13.875 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 112 10.110 -15.299 6.358 1.00 0.00 H new ATOM 1717 N ALA A 113 7.514 -13.940 -1.861 1.00 0.00 N ATOM 1718 CA ALA A 113 6.938 -14.904 -2.792 1.00 0.00 C ATOM 1719 C ALA A 113 7.233 -16.332 -2.360 1.00 0.00 C ATOM 1720 O ALA A 113 8.382 -16.785 -2.359 1.00 0.00 O ATOM 1721 CB ALA A 113 7.403 -14.634 -4.209 1.00 0.00 C ATOM 0 H ALA A 113 6.814 -13.442 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 113 5.855 -14.783 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.959 -15.367 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.095 -13.632 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.489 -14.709 -4.256 1.00 0.00 H new ATOM 1727 N GLN A 114 6.176 -17.030 -1.980 1.00 0.00 N ATOM 1728 CA GLN A 114 6.296 -18.364 -1.431 1.00 0.00 C ATOM 1729 C GLN A 114 6.372 -19.381 -2.554 1.00 0.00 C ATOM 1730 O GLN A 114 5.349 -19.850 -3.051 1.00 0.00 O ATOM 1731 CB GLN A 114 5.115 -18.694 -0.511 1.00 0.00 C ATOM 1732 CG GLN A 114 4.888 -17.697 0.622 1.00 0.00 C ATOM 1733 CD GLN A 114 4.076 -16.486 0.194 1.00 0.00 C ATOM 1734 OE1 GLN A 114 2.847 -16.511 0.238 1.00 0.00 O ATOM 1735 NE2 GLN A 114 4.749 -15.409 -0.190 1.00 0.00 N ATOM 0 H GLN A 114 5.217 -16.688 -2.044 1.00 0.00 H new ATOM 0 HA GLN A 114 7.211 -18.405 -0.840 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.208 -18.751 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.274 -19.682 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.376 -18.199 1.443 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.853 -17.364 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.769 -15.426 -0.214 1.00 0.00 H new ATOM 0 HE22 GLN A 114 4.247 -14.564 -0.462 1.00 0.00 H new ATOM 1744 N GLU A 115 7.584 -19.699 -2.964 1.00 0.00 N ATOM 1745 CA GLU A 115 7.788 -20.684 -4.008 1.00 0.00 C ATOM 1746 C GLU A 115 7.520 -22.080 -3.462 1.00 0.00 C ATOM 1747 O GLU A 115 7.999 -22.439 -2.384 1.00 0.00 O ATOM 1748 CB GLU A 115 9.204 -20.574 -4.583 1.00 0.00 C ATOM 1749 CG GLU A 115 10.301 -20.635 -3.533 1.00 0.00 C ATOM 1750 CD GLU A 115 11.674 -20.396 -4.120 1.00 0.00 C ATOM 1751 OE1 GLU A 115 12.279 -21.358 -4.637 1.00 0.00 O ATOM 1752 OE2 GLU A 115 12.157 -19.244 -4.064 1.00 0.00 O ATOM 0 H GLU A 115 8.441 -19.291 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 115 7.087 -20.493 -4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.357 -21.379 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.291 -19.636 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.104 -19.890 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 115 10.281 -21.610 -3.047 1.00 0.00 H new ATOM 1759 N ALA A 116 6.728 -22.844 -4.190 1.00 0.00 N ATOM 1760 CA ALA A 116 6.350 -24.176 -3.762 1.00 0.00 C ATOM 1761 C ALA A 116 7.218 -25.217 -4.455 1.00 0.00 C ATOM 1762 O ALA A 116 7.130 -25.403 -5.670 1.00 0.00 O ATOM 1763 CB ALA A 116 4.874 -24.419 -4.044 1.00 0.00 C ATOM 0 H ALA A 116 6.332 -22.562 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 116 6.509 -24.263 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.602 -25.423 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.275 -23.687 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.687 -24.321 -5.113 1.00 0.00 H new ATOM 1769 N PRO A 117 8.091 -25.881 -3.686 1.00 0.00 N ATOM 1770 CA PRO A 117 9.008 -26.900 -4.208 1.00 0.00 C ATOM 1771 C PRO A 117 8.288 -28.017 -4.960 1.00 0.00 C ATOM 1772 O PRO A 117 7.653 -28.881 -4.355 1.00 0.00 O ATOM 1773 CB PRO A 117 9.681 -27.457 -2.951 1.00 0.00 C ATOM 1774 CG PRO A 117 9.555 -26.374 -1.937 1.00 0.00 C ATOM 1775 CD PRO A 117 8.261 -25.674 -2.239 1.00 0.00 C ATOM 0 HA PRO A 117 9.703 -26.476 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.194 -28.372 -2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 117 10.726 -27.703 -3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 117 9.551 -26.784 -0.927 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.396 -25.683 -1.997 1.00 0.00 H new ATOM 0 HD2 PRO A 117 7.433 -26.099 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 117 8.309 -24.614 -1.988 1.00 0.00 H new ATOM 1783 N GLY A 118 8.382 -27.982 -6.284 1.00 0.00 N ATOM 1784 CA GLY A 118 7.813 -29.034 -7.107 1.00 0.00 C ATOM 1785 C GLY A 118 6.298 -29.021 -7.130 1.00 0.00 C ATOM 1786 O GLY A 118 5.669 -30.076 -7.246 1.00 0.00 O ATOM 0 H GLY A 118 8.846 -27.238 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.186 -28.931 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 118 8.156 -30.001 -6.738 1.00 0.00 H new ATOM 1790 N GLN A 119 5.707 -27.839 -7.012 1.00 0.00 N ATOM 1791 CA GLN A 119 4.257 -27.691 -7.072 1.00 0.00 C ATOM 1792 C GLN A 119 3.877 -26.217 -7.121 1.00 0.00 C ATOM 1793 O GLN A 119 4.741 -25.348 -7.241 1.00 0.00 O ATOM 1794 CB GLN A 119 3.574 -28.345 -5.861 1.00 0.00 C ATOM 1795 CG GLN A 119 3.939 -27.703 -4.532 1.00 0.00 C ATOM 1796 CD GLN A 119 2.932 -28.005 -3.442 1.00 0.00 C ATOM 1797 OE1 GLN A 119 3.057 -28.993 -2.719 1.00 0.00 O ATOM 1798 NE2 GLN A 119 1.926 -27.150 -3.315 1.00 0.00 N ATOM 0 H GLN A 119 6.212 -26.964 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 119 3.916 -28.192 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 119 2.493 -28.295 -5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 119 3.843 -29.401 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 119 4.922 -28.056 -4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 119 4.014 -26.623 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 119 1.861 -26.343 -3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 119 1.218 -27.299 -2.596 1.00 0.00 H new ATOM 1807 N ALA A 120 2.583 -25.947 -7.038 1.00 0.00 N ATOM 1808 CA ALA A 120 2.085 -24.589 -6.932 1.00 0.00 C ATOM 1809 C ALA A 120 0.825 -24.572 -6.073 1.00 0.00 C ATOM 1810 O ALA A 120 -0.289 -24.473 -6.634 1.00 0.00 O ATOM 1811 CB ALA A 120 1.811 -24.016 -8.315 1.00 0.00 C ATOM 1812 OXT ALA A 120 0.948 -24.719 -4.839 1.00 0.00 O ATOM 0 H ALA A 120 1.854 -26.661 -7.042 1.00 0.00 H new ATOM 0 HA ALA A 120 2.840 -23.964 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 120 1.438 -22.996 -8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 120 2.733 -24.012 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 120 1.066 -24.629 -8.822 1.00 0.00 H new TER 1818 ALA A 120