USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 750 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 58 THR OG1 : rot -14:sc= 1.29 USER MOD Set 1.2: A 59 GLN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.1: A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl -141:sc= -1.27 (180deg=-2.27!) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0668 (180deg=-0.00575) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -70:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.6!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.876 USER MOD Single : A 42 GLN : amide:sc= 0.597 K(o=0.6,f=-4.5!) USER MOD Single : A 43 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 55 CYS SG : rot 71:sc= -1.74 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot -170:sc= -0.742 USER MOD Single : A 69 GLN : amide:sc= -0.355 K(o=-0.35,f=-3.6!) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.191 (180deg=0.174) USER MOD Single : A 72 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.395 USER MOD Single : A 78 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.26) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 97 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.691 -4.690 6.065 1.00 0.00 N ATOM 2 CA MET A 1 5.604 -5.096 4.647 1.00 0.00 C ATOM 3 C MET A 1 6.260 -6.463 4.421 1.00 0.00 C ATOM 4 O MET A 1 6.926 -7.017 5.313 1.00 0.00 O ATOM 5 CB MET A 1 6.230 -4.016 3.705 1.00 0.00 C ATOM 6 CG MET A 1 7.705 -3.640 3.986 1.00 0.00 C ATOM 7 SD MET A 1 8.908 -4.949 3.664 1.00 0.00 S ATOM 8 CE MET A 1 8.917 -5.014 1.878 1.00 0.00 C ATOM 0 H1 MET A 1 5.967 -3.689 6.123 1.00 0.00 H new ATOM 0 H2 MET A 1 4.766 -4.821 6.521 1.00 0.00 H new ATOM 0 H3 MET A 1 6.402 -5.274 6.550 1.00 0.00 H new ATOM 0 HA MET A 1 4.547 -5.184 4.397 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.157 -4.373 2.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.626 -3.111 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.964 -2.773 3.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.793 -3.336 5.029 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.987 -6.052 1.552 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.997 -4.574 1.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.773 -4.456 1.498 1.00 0.00 H new ATOM 18 N LEU A 2 6.057 -6.983 3.205 1.00 0.00 N ATOM 19 CA LEU A 2 6.720 -8.201 2.713 1.00 0.00 C ATOM 20 C LEU A 2 7.123 -8.012 1.254 1.00 0.00 C ATOM 21 O LEU A 2 6.491 -7.237 0.521 1.00 0.00 O ATOM 22 CB LEU A 2 5.802 -9.444 2.927 1.00 0.00 C ATOM 23 CG LEU A 2 4.320 -9.368 2.411 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.183 -9.554 0.883 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.426 -10.379 3.162 1.00 0.00 C ATOM 0 H LEU A 2 5.421 -6.567 2.525 1.00 0.00 H new ATOM 0 HA LEU A 2 7.631 -8.383 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.279 -10.298 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.772 -9.656 3.996 1.00 0.00 H new ATOM 0 HG LEU A 2 3.981 -8.355 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.132 -9.489 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.745 -8.774 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.575 -10.530 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.404 -10.309 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.803 -11.389 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.439 -10.154 4.228 1.00 0.00 H new ATOM 37 N LEU A 3 8.211 -8.680 0.859 1.00 0.00 N ATOM 38 CA LEU A 3 8.844 -8.539 -0.458 1.00 0.00 C ATOM 39 C LEU A 3 7.898 -9.002 -1.581 1.00 0.00 C ATOM 40 O LEU A 3 7.712 -10.208 -1.765 1.00 0.00 O ATOM 41 CB LEU A 3 10.164 -9.391 -0.482 1.00 0.00 C ATOM 42 CG LEU A 3 11.043 -9.336 0.812 1.00 0.00 C ATOM 43 CD1 LEU A 3 12.244 -10.295 0.735 1.00 0.00 C ATOM 44 CD2 LEU A 3 11.491 -7.903 1.102 1.00 0.00 C ATOM 0 H LEU A 3 8.689 -9.351 1.461 1.00 0.00 H new ATOM 0 HA LEU A 3 9.074 -7.487 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.898 -10.431 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.772 -9.059 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 3 10.424 -9.673 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.826 -10.224 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.886 -11.317 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.872 -10.024 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 3 12.101 -7.888 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.077 -7.528 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.615 -7.270 1.245 1.00 0.00 H new ATOM 56 N HIS A 4 7.262 -8.036 -2.286 1.00 0.00 N ATOM 57 CA HIS A 4 6.448 -8.280 -3.509 1.00 0.00 C ATOM 58 C HIS A 4 7.149 -9.221 -4.528 1.00 0.00 C ATOM 59 O HIS A 4 6.480 -9.954 -5.264 1.00 0.00 O ATOM 60 CB HIS A 4 6.118 -6.910 -4.158 1.00 0.00 C ATOM 61 CG HIS A 4 5.212 -6.970 -5.361 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.866 -7.233 -5.264 1.00 0.00 N ATOM 63 CD2 HIS A 4 5.464 -6.806 -6.685 1.00 0.00 C ATOM 64 CE1 HIS A 4 3.325 -7.230 -6.472 1.00 0.00 C ATOM 65 NE2 HIS A 4 4.276 -6.966 -7.347 1.00 0.00 N ATOM 0 H HIS A 4 7.298 -7.052 -2.021 1.00 0.00 H new ATOM 0 HA HIS A 4 5.533 -8.794 -3.214 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.654 -6.272 -3.406 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.052 -6.430 -4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.423 -6.590 -7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.285 -7.412 -6.701 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.147 -6.893 -8.356 1.00 0.00 H new ATOM 74 N SER A 5 8.492 -9.197 -4.533 1.00 0.00 N ATOM 75 CA SER A 5 9.328 -10.091 -5.352 1.00 0.00 C ATOM 76 C SER A 5 10.746 -10.135 -4.757 1.00 0.00 C ATOM 77 O SER A 5 11.300 -9.086 -4.417 1.00 0.00 O ATOM 78 CB SER A 5 9.360 -9.610 -6.825 1.00 0.00 C ATOM 79 OG SER A 5 9.765 -8.254 -6.924 1.00 0.00 O ATOM 0 H SER A 5 9.034 -8.549 -3.962 1.00 0.00 H new ATOM 0 HA SER A 5 8.905 -11.095 -5.344 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.043 -10.237 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.371 -9.728 -7.268 1.00 0.00 H new ATOM 0 HG SER A 5 9.776 -7.984 -7.866 1.00 0.00 H new ATOM 85 N VAL A 6 11.318 -11.351 -4.614 1.00 0.00 N ATOM 86 CA VAL A 6 12.706 -11.545 -4.123 1.00 0.00 C ATOM 87 C VAL A 6 13.429 -12.589 -4.988 1.00 0.00 C ATOM 88 O VAL A 6 12.802 -13.510 -5.521 1.00 0.00 O ATOM 89 CB VAL A 6 12.743 -11.990 -2.603 1.00 0.00 C ATOM 90 CG1 VAL A 6 12.150 -13.407 -2.390 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.179 -11.888 -2.007 1.00 0.00 C ATOM 0 H VAL A 6 10.836 -12.223 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 6 13.216 -10.585 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 6 12.107 -11.290 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 6 12.198 -13.666 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.111 -13.420 -2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.723 -14.132 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.163 -12.202 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.853 -12.534 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.527 -10.857 -2.071 1.00 0.00 H new ATOM 101 N GLU A 7 14.750 -12.431 -5.122 1.00 0.00 N ATOM 102 CA GLU A 7 15.599 -13.363 -5.872 1.00 0.00 C ATOM 103 C GLU A 7 16.174 -14.432 -4.919 1.00 0.00 C ATOM 104 O GLU A 7 16.746 -14.109 -3.876 1.00 0.00 O ATOM 105 CB GLU A 7 16.706 -12.566 -6.607 1.00 0.00 C ATOM 106 CG GLU A 7 16.139 -11.593 -7.663 1.00 0.00 C ATOM 107 CD GLU A 7 17.210 -10.715 -8.328 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.869 -11.180 -9.282 1.00 0.00 O ATOM 109 OE2 GLU A 7 17.397 -9.560 -7.899 1.00 0.00 O ATOM 0 H GLU A 7 15.262 -11.650 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 7 15.014 -13.889 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.289 -12.004 -5.877 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.389 -13.264 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.622 -12.166 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.396 -10.950 -7.191 1.00 0.00 H new ATOM 116 N THR A 8 15.974 -15.710 -5.283 1.00 0.00 N ATOM 117 CA THR A 8 16.391 -16.893 -4.491 1.00 0.00 C ATOM 118 C THR A 8 17.267 -17.828 -5.365 1.00 0.00 C ATOM 119 O THR A 8 17.225 -17.718 -6.591 1.00 0.00 O ATOM 120 CB THR A 8 15.133 -17.675 -3.973 1.00 0.00 C ATOM 121 OG1 THR A 8 14.272 -18.009 -5.076 1.00 0.00 O ATOM 122 CG2 THR A 8 14.351 -16.868 -2.933 1.00 0.00 C ATOM 0 H THR A 8 15.508 -15.961 -6.155 1.00 0.00 H new ATOM 0 HA THR A 8 16.970 -16.553 -3.633 1.00 0.00 H new ATOM 0 HB THR A 8 15.487 -18.587 -3.493 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.852 -17.194 -5.422 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.488 -17.444 -2.599 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.995 -16.653 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.013 -15.932 -3.378 1.00 0.00 H new ATOM 130 N PRO A 9 18.085 -18.766 -4.770 1.00 0.00 N ATOM 131 CA PRO A 9 18.837 -19.794 -5.552 1.00 0.00 C ATOM 132 C PRO A 9 17.888 -20.723 -6.350 1.00 0.00 C ATOM 133 O PRO A 9 18.255 -21.261 -7.395 1.00 0.00 O ATOM 134 CB PRO A 9 19.632 -20.575 -4.461 1.00 0.00 C ATOM 135 CG PRO A 9 18.890 -20.300 -3.187 1.00 0.00 C ATOM 136 CD PRO A 9 18.396 -18.874 -3.318 1.00 0.00 C ATOM 0 HA PRO A 9 19.485 -19.353 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 9 19.663 -21.642 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.665 -20.232 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 18.060 -20.994 -3.056 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.540 -20.414 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.516 -18.692 -2.701 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.154 -18.153 -3.012 1.00 0.00 H new ATOM 144 N ARG A 10 16.658 -20.883 -5.822 1.00 0.00 N ATOM 145 CA ARG A 10 15.593 -21.721 -6.428 1.00 0.00 C ATOM 146 C ARG A 10 14.681 -20.933 -7.415 1.00 0.00 C ATOM 147 O ARG A 10 13.683 -21.488 -7.896 1.00 0.00 O ATOM 148 CB ARG A 10 14.749 -22.408 -5.311 1.00 0.00 C ATOM 149 CG ARG A 10 14.252 -21.484 -4.168 1.00 0.00 C ATOM 150 CD ARG A 10 13.273 -22.193 -3.201 1.00 0.00 C ATOM 151 NE ARG A 10 13.723 -23.558 -2.813 1.00 0.00 N ATOM 152 CZ ARG A 10 14.205 -23.925 -1.614 1.00 0.00 C ATOM 153 NH1 ARG A 10 14.448 -23.027 -0.666 1.00 0.00 N ATOM 154 NH2 ARG A 10 14.480 -25.193 -1.380 1.00 0.00 N ATOM 0 H ARG A 10 16.369 -20.431 -4.954 1.00 0.00 H new ATOM 0 HA ARG A 10 16.090 -22.486 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.881 -22.877 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.346 -23.207 -4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.110 -21.119 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.760 -20.613 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.155 -21.587 -2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.292 -22.260 -3.671 1.00 0.00 H new ATOM 0 HE ARG A 10 13.659 -24.284 -3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.269 -22.038 -0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.814 -23.326 0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.327 -25.891 -2.108 1.00 0.00 H new ATOM 0 HH22 ARG A 10 14.846 -25.476 -0.471 1.00 0.00 H new ATOM 168 N GLY A 11 15.018 -19.661 -7.720 1.00 0.00 N ATOM 169 CA GLY A 11 14.280 -18.870 -8.731 1.00 0.00 C ATOM 170 C GLY A 11 13.935 -17.474 -8.238 1.00 0.00 C ATOM 171 O GLY A 11 14.799 -16.770 -7.724 1.00 0.00 O ATOM 0 H GLY A 11 15.793 -19.161 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.881 -18.794 -9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.363 -19.394 -8.999 1.00 0.00 H new ATOM 175 N GLU A 12 12.670 -17.062 -8.414 1.00 0.00 N ATOM 176 CA GLU A 12 12.137 -15.794 -7.865 1.00 0.00 C ATOM 177 C GLU A 12 10.799 -16.077 -7.175 1.00 0.00 C ATOM 178 O GLU A 12 10.003 -16.878 -7.664 1.00 0.00 O ATOM 179 CB GLU A 12 11.974 -14.731 -8.987 1.00 0.00 C ATOM 180 CG GLU A 12 11.358 -13.390 -8.524 1.00 0.00 C ATOM 181 CD GLU A 12 11.375 -12.311 -9.616 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.454 -12.280 -10.456 1.00 0.00 O ATOM 183 OE2 GLU A 12 12.332 -11.506 -9.658 1.00 0.00 O ATOM 0 H GLU A 12 11.981 -17.597 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 12 12.839 -15.389 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.952 -14.533 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.349 -15.149 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.330 -13.560 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.905 -13.027 -7.654 1.00 0.00 H new ATOM 190 N ILE A 13 10.556 -15.406 -6.036 1.00 0.00 N ATOM 191 CA ILE A 13 9.421 -15.692 -5.146 1.00 0.00 C ATOM 192 C ILE A 13 8.605 -14.406 -4.955 1.00 0.00 C ATOM 193 O ILE A 13 9.123 -13.404 -4.445 1.00 0.00 O ATOM 194 CB ILE A 13 9.901 -16.228 -3.740 1.00 0.00 C ATOM 195 CG1 ILE A 13 10.977 -17.357 -3.880 1.00 0.00 C ATOM 196 CG2 ILE A 13 8.703 -16.701 -2.883 1.00 0.00 C ATOM 197 CD1 ILE A 13 10.555 -18.600 -4.643 1.00 0.00 C ATOM 0 H ILE A 13 11.148 -14.644 -5.706 1.00 0.00 H new ATOM 0 HA ILE A 13 8.810 -16.469 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 13 10.376 -15.394 -3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.853 -16.935 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.288 -17.659 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.065 -17.064 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.019 -15.868 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.180 -17.505 -3.401 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.384 -19.308 -4.672 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.702 -19.061 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.276 -18.325 -5.660 1.00 0.00 H new ATOM 209 N LEU A 14 7.338 -14.449 -5.374 1.00 0.00 N ATOM 210 CA LEU A 14 6.418 -13.308 -5.311 1.00 0.00 C ATOM 211 C LEU A 14 5.669 -13.296 -3.962 1.00 0.00 C ATOM 212 O LEU A 14 5.074 -14.310 -3.582 1.00 0.00 O ATOM 213 CB LEU A 14 5.413 -13.395 -6.493 1.00 0.00 C ATOM 214 CG LEU A 14 6.053 -13.496 -7.917 1.00 0.00 C ATOM 215 CD1 LEU A 14 4.970 -13.626 -9.008 1.00 0.00 C ATOM 216 CD2 LEU A 14 7.004 -12.307 -8.190 1.00 0.00 C ATOM 0 H LEU A 14 6.916 -15.288 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 14 6.985 -12.381 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.773 -14.264 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.769 -12.516 -6.465 1.00 0.00 H new ATOM 0 HG LEU A 14 6.655 -14.404 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.446 -13.694 -9.986 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.379 -14.524 -8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.319 -12.752 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.433 -12.406 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.446 -11.373 -8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.804 -12.303 -7.450 1.00 0.00 H new ATOM 228 N ASN A 15 5.751 -12.140 -3.265 1.00 0.00 N ATOM 229 CA ASN A 15 5.002 -11.834 -2.024 1.00 0.00 C ATOM 230 C ASN A 15 5.395 -12.786 -0.875 1.00 0.00 C ATOM 231 O ASN A 15 4.796 -13.852 -0.686 1.00 0.00 O ATOM 232 CB ASN A 15 3.473 -11.793 -2.282 1.00 0.00 C ATOM 233 CG ASN A 15 3.082 -10.697 -3.290 1.00 0.00 C ATOM 234 OD1 ASN A 15 2.815 -9.556 -2.915 1.00 0.00 O ATOM 235 ND2 ASN A 15 3.050 -11.032 -4.573 1.00 0.00 N ATOM 0 H ASN A 15 6.356 -11.373 -3.558 1.00 0.00 H new ATOM 0 HA ASN A 15 5.285 -10.833 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.143 -12.762 -2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.952 -11.621 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.800 -10.336 -5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.276 -11.985 -4.857 1.00 0.00 H new ATOM 242 N VAL A 16 6.433 -12.365 -0.134 1.00 0.00 N ATOM 243 CA VAL A 16 7.093 -13.165 0.910 1.00 0.00 C ATOM 244 C VAL A 16 7.872 -12.229 1.856 1.00 0.00 C ATOM 245 O VAL A 16 8.540 -11.325 1.390 1.00 0.00 O ATOM 246 CB VAL A 16 8.074 -14.219 0.259 1.00 0.00 C ATOM 247 CG1 VAL A 16 9.026 -13.563 -0.767 1.00 0.00 C ATOM 248 CG2 VAL A 16 8.880 -14.987 1.325 1.00 0.00 C ATOM 0 H VAL A 16 6.845 -11.439 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 16 6.336 -13.706 1.478 1.00 0.00 H new ATOM 0 HB VAL A 16 7.448 -14.936 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.683 -14.322 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.441 -13.104 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.626 -12.800 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.542 -15.701 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.473 -14.284 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.195 -15.520 1.985 1.00 0.00 H new ATOM 258 N SER A 17 7.760 -12.431 3.180 1.00 0.00 N ATOM 259 CA SER A 17 8.507 -11.623 4.181 1.00 0.00 C ATOM 260 C SER A 17 10.025 -11.877 4.092 1.00 0.00 C ATOM 261 O SER A 17 10.437 -12.898 3.560 1.00 0.00 O ATOM 262 CB SER A 17 7.984 -11.949 5.589 1.00 0.00 C ATOM 263 OG SER A 17 6.589 -11.686 5.682 1.00 0.00 O ATOM 0 H SER A 17 7.160 -13.147 3.590 1.00 0.00 H new ATOM 0 HA SER A 17 8.344 -10.567 3.968 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.178 -12.996 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.521 -11.355 6.328 1.00 0.00 H new ATOM 0 HG SER A 17 6.275 -11.901 6.585 1.00 0.00 H new ATOM 269 N GLU A 18 10.849 -10.959 4.637 1.00 0.00 N ATOM 270 CA GLU A 18 12.332 -11.068 4.577 1.00 0.00 C ATOM 271 C GLU A 18 12.810 -12.324 5.321 1.00 0.00 C ATOM 272 O GLU A 18 13.737 -13.013 4.896 1.00 0.00 O ATOM 273 CB GLU A 18 13.018 -9.822 5.204 1.00 0.00 C ATOM 274 CG GLU A 18 12.551 -8.447 4.662 1.00 0.00 C ATOM 275 CD GLU A 18 11.248 -7.945 5.311 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.287 -7.561 6.503 1.00 0.00 O ATOM 277 OE2 GLU A 18 10.176 -7.972 4.660 1.00 0.00 O ATOM 0 H GLU A 18 10.516 -10.128 5.127 1.00 0.00 H new ATOM 0 HA GLU A 18 12.609 -11.133 3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.850 -9.842 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.093 -9.906 5.047 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.338 -7.712 4.830 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.407 -8.519 3.584 1.00 0.00 H new ATOM 284 N GLN A 19 12.105 -12.609 6.419 1.00 0.00 N ATOM 285 CA GLN A 19 12.452 -13.668 7.366 1.00 0.00 C ATOM 286 C GLN A 19 12.121 -15.035 6.754 1.00 0.00 C ATOM 287 O GLN A 19 12.940 -15.950 6.805 1.00 0.00 O ATOM 288 CB GLN A 19 11.708 -13.462 8.720 1.00 0.00 C ATOM 289 CG GLN A 19 11.928 -12.081 9.405 1.00 0.00 C ATOM 290 CD GLN A 19 11.232 -10.893 8.705 1.00 0.00 C ATOM 291 OE1 GLN A 19 10.170 -11.051 8.091 1.00 0.00 O ATOM 292 NE2 GLN A 19 11.838 -9.713 8.758 1.00 0.00 N ATOM 0 H GLN A 19 11.261 -12.099 6.678 1.00 0.00 H new ATOM 0 HA GLN A 19 13.522 -13.628 7.570 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.640 -13.598 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.024 -14.244 9.410 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.570 -12.140 10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.998 -11.881 9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.713 -9.612 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.428 -8.908 8.285 1.00 0.00 H new ATOM 301 N GLU A 20 10.915 -15.139 6.146 1.00 0.00 N ATOM 302 CA GLU A 20 10.468 -16.356 5.428 1.00 0.00 C ATOM 303 C GLU A 20 11.361 -16.620 4.195 1.00 0.00 C ATOM 304 O GLU A 20 11.762 -17.759 3.946 1.00 0.00 O ATOM 305 CB GLU A 20 8.968 -16.212 5.007 1.00 0.00 C ATOM 306 CG GLU A 20 8.426 -17.360 4.116 1.00 0.00 C ATOM 307 CD GLU A 20 6.904 -17.300 3.892 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.157 -17.888 4.699 1.00 0.00 O ATOM 309 OE2 GLU A 20 6.440 -16.649 2.925 1.00 0.00 O ATOM 0 H GLU A 20 10.228 -14.385 6.139 1.00 0.00 H new ATOM 0 HA GLU A 20 10.559 -17.210 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.357 -16.152 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.844 -15.269 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.929 -17.327 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.680 -18.316 4.575 1.00 0.00 H new ATOM 316 N ALA A 21 11.616 -15.552 3.420 1.00 0.00 N ATOM 317 CA ALA A 21 12.526 -15.577 2.257 1.00 0.00 C ATOM 318 C ALA A 21 13.909 -16.178 2.597 1.00 0.00 C ATOM 319 O ALA A 21 14.363 -17.075 1.911 1.00 0.00 O ATOM 320 CB ALA A 21 12.671 -14.171 1.668 1.00 0.00 C ATOM 0 H ALA A 21 11.194 -14.638 3.583 1.00 0.00 H new ATOM 0 HA ALA A 21 12.078 -16.232 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.344 -14.203 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.694 -13.808 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.078 -13.500 2.424 1.00 0.00 H new ATOM 326 N ARG A 22 14.543 -15.705 3.688 1.00 0.00 N ATOM 327 CA ARG A 22 15.886 -16.187 4.104 1.00 0.00 C ATOM 328 C ARG A 22 15.821 -17.610 4.688 1.00 0.00 C ATOM 329 O ARG A 22 16.710 -18.427 4.432 1.00 0.00 O ATOM 330 CB ARG A 22 16.529 -15.216 5.138 1.00 0.00 C ATOM 331 CG ARG A 22 16.819 -13.816 4.575 1.00 0.00 C ATOM 332 CD ARG A 22 17.387 -12.827 5.612 1.00 0.00 C ATOM 333 NE ARG A 22 18.765 -13.151 6.025 1.00 0.00 N ATOM 334 CZ ARG A 22 19.278 -12.953 7.250 1.00 0.00 C ATOM 335 NH1 ARG A 22 18.506 -12.534 8.256 1.00 0.00 N ATOM 336 NH2 ARG A 22 20.560 -13.202 7.465 1.00 0.00 N ATOM 0 H ARG A 22 14.151 -14.990 4.301 1.00 0.00 H new ATOM 0 HA ARG A 22 16.510 -16.214 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.864 -15.122 5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.460 -15.651 5.502 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.526 -13.907 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.898 -13.404 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.366 -11.820 5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.742 -12.821 6.491 1.00 0.00 H new ATOM 0 HE ARG A 22 19.380 -13.560 5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.513 -12.360 8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.909 -12.388 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.148 -13.541 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.960 -13.055 8.392 1.00 0.00 H new ATOM 350 N ASP A 23 14.755 -17.897 5.455 1.00 0.00 N ATOM 351 CA ASP A 23 14.629 -19.157 6.221 1.00 0.00 C ATOM 352 C ASP A 23 14.231 -20.327 5.306 1.00 0.00 C ATOM 353 O ASP A 23 14.990 -21.290 5.140 1.00 0.00 O ATOM 354 CB ASP A 23 13.591 -18.973 7.366 1.00 0.00 C ATOM 355 CG ASP A 23 13.403 -20.227 8.237 1.00 0.00 C ATOM 356 OD1 ASP A 23 14.329 -20.567 9.001 1.00 0.00 O ATOM 357 OD2 ASP A 23 12.322 -20.858 8.179 1.00 0.00 O ATOM 0 H ASP A 23 13.959 -17.269 5.564 1.00 0.00 H new ATOM 0 HA ASP A 23 15.599 -19.398 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.906 -18.145 8.000 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.630 -18.695 6.932 1.00 0.00 H new ATOM 362 N VAL A 24 13.045 -20.211 4.703 1.00 0.00 N ATOM 363 CA VAL A 24 12.454 -21.261 3.862 1.00 0.00 C ATOM 364 C VAL A 24 13.108 -21.253 2.462 1.00 0.00 C ATOM 365 O VAL A 24 13.733 -22.238 2.053 1.00 0.00 O ATOM 366 CB VAL A 24 10.890 -21.070 3.737 1.00 0.00 C ATOM 367 CG1 VAL A 24 10.237 -22.253 2.984 1.00 0.00 C ATOM 368 CG2 VAL A 24 10.230 -20.860 5.126 1.00 0.00 C ATOM 0 H VAL A 24 12.461 -19.379 4.784 1.00 0.00 H new ATOM 0 HA VAL A 24 12.642 -22.225 4.335 1.00 0.00 H new ATOM 0 HB VAL A 24 10.719 -20.167 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.161 -22.091 2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.658 -22.323 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.430 -23.180 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.155 -20.732 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.422 -21.729 5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.649 -19.971 5.597 1.00 0.00 H new ATOM 378 N PHE A 25 12.990 -20.108 1.771 1.00 0.00 N ATOM 379 CA PHE A 25 13.387 -19.969 0.351 1.00 0.00 C ATOM 380 C PHE A 25 14.914 -19.815 0.165 1.00 0.00 C ATOM 381 O PHE A 25 15.432 -20.084 -0.928 1.00 0.00 O ATOM 382 CB PHE A 25 12.614 -18.794 -0.295 1.00 0.00 C ATOM 383 CG PHE A 25 11.096 -18.992 -0.294 1.00 0.00 C ATOM 384 CD1 PHE A 25 10.489 -19.832 -1.225 1.00 0.00 C ATOM 385 CD2 PHE A 25 10.280 -18.354 0.639 1.00 0.00 C ATOM 386 CE1 PHE A 25 9.121 -20.021 -1.231 1.00 0.00 C ATOM 387 CE2 PHE A 25 8.909 -18.543 0.631 1.00 0.00 C ATOM 388 CZ PHE A 25 8.333 -19.378 -0.302 1.00 0.00 C ATOM 0 H PHE A 25 12.617 -19.249 2.176 1.00 0.00 H new ATOM 0 HA PHE A 25 13.120 -20.895 -0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.853 -17.874 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.956 -18.665 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.099 -20.344 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.724 -17.703 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.669 -20.673 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.290 -18.036 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.264 -19.528 -0.305 1.00 0.00 H new ATOM 398 N GLY A 26 15.610 -19.394 1.237 1.00 0.00 N ATOM 399 CA GLY A 26 17.075 -19.295 1.247 1.00 0.00 C ATOM 400 C GLY A 26 17.628 -18.132 0.422 1.00 0.00 C ATOM 401 O GLY A 26 18.735 -18.230 -0.126 1.00 0.00 O ATOM 0 H GLY A 26 15.172 -19.115 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 26 17.414 -19.189 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 26 17.494 -20.227 0.868 1.00 0.00 H new ATOM 405 N ALA A 27 16.862 -17.026 0.366 1.00 0.00 N ATOM 406 CA ALA A 27 17.223 -15.806 -0.389 1.00 0.00 C ATOM 407 C ALA A 27 18.450 -15.096 0.215 1.00 0.00 C ATOM 408 O ALA A 27 18.602 -15.049 1.441 1.00 0.00 O ATOM 409 CB ALA A 27 16.035 -14.837 -0.427 1.00 0.00 C ATOM 0 H ALA A 27 15.966 -16.951 0.848 1.00 0.00 H new ATOM 0 HA ALA A 27 17.480 -16.115 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 27 16.312 -13.943 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.187 -15.320 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.760 -14.559 0.590 1.00 0.00 H new ATOM 415 N SER A 28 19.280 -14.506 -0.662 1.00 0.00 N ATOM 416 CA SER A 28 20.539 -13.852 -0.275 1.00 0.00 C ATOM 417 C SER A 28 20.263 -12.540 0.476 1.00 0.00 C ATOM 418 O SER A 28 19.264 -11.883 0.221 1.00 0.00 O ATOM 419 CB SER A 28 21.393 -13.551 -1.530 1.00 0.00 C ATOM 420 OG SER A 28 21.614 -14.710 -2.311 1.00 0.00 O ATOM 0 H SER A 28 19.094 -14.470 -1.664 1.00 0.00 H new ATOM 0 HA SER A 28 21.083 -14.530 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 28 20.893 -12.795 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 28 22.352 -13.132 -1.224 1.00 0.00 H new ATOM 0 HG SER A 28 22.155 -14.478 -3.094 1.00 0.00 H new ATOM 426 N GLU A 29 21.195 -12.140 1.336 1.00 0.00 N ATOM 427 CA GLU A 29 21.046 -10.935 2.176 1.00 0.00 C ATOM 428 C GLU A 29 21.086 -9.649 1.317 1.00 0.00 C ATOM 429 O GLU A 29 20.473 -8.634 1.671 1.00 0.00 O ATOM 430 CB GLU A 29 22.144 -10.945 3.247 1.00 0.00 C ATOM 431 CG GLU A 29 22.110 -12.219 4.113 1.00 0.00 C ATOM 432 CD GLU A 29 23.302 -12.342 5.065 1.00 0.00 C ATOM 433 OE1 GLU A 29 24.436 -12.556 4.582 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.121 -12.229 6.292 1.00 0.00 O ATOM 0 H GLU A 29 22.076 -12.634 1.477 1.00 0.00 H new ATOM 0 HA GLU A 29 20.073 -10.945 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 29 23.118 -10.863 2.765 1.00 0.00 H new ATOM 0 HB3 GLU A 29 22.030 -10.071 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 29 21.188 -12.229 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 29 22.085 -13.092 3.461 1.00 0.00 H new ATOM 441 N GLN A 30 21.796 -9.731 0.170 1.00 0.00 N ATOM 442 CA GLN A 30 21.819 -8.673 -0.858 1.00 0.00 C ATOM 443 C GLN A 30 20.516 -8.709 -1.684 1.00 0.00 C ATOM 444 O GLN A 30 20.047 -7.676 -2.154 1.00 0.00 O ATOM 445 CB GLN A 30 23.056 -8.828 -1.788 1.00 0.00 C ATOM 446 CG GLN A 30 24.413 -8.748 -1.059 1.00 0.00 C ATOM 447 CD GLN A 30 25.618 -8.809 -2.006 1.00 0.00 C ATOM 448 OE1 GLN A 30 26.104 -7.781 -2.474 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.104 -10.010 -2.303 1.00 0.00 N ATOM 0 H GLN A 30 22.372 -10.539 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 30 21.893 -7.708 -0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.990 -9.786 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.021 -8.051 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.456 -7.821 -0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.481 -9.567 -0.343 1.00 0.00 H new ATOM 0 HE21 GLN A 30 25.680 -10.846 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 30 26.901 -10.096 -2.934 1.00 0.00 H new ATOM 458 N ALA A 31 19.924 -9.913 -1.812 1.00 0.00 N ATOM 459 CA ALA A 31 18.652 -10.128 -2.536 1.00 0.00 C ATOM 460 C ALA A 31 17.460 -9.666 -1.688 1.00 0.00 C ATOM 461 O ALA A 31 16.412 -9.312 -2.230 1.00 0.00 O ATOM 462 CB ALA A 31 18.488 -11.607 -2.926 1.00 0.00 C ATOM 0 H ALA A 31 20.315 -10.768 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 31 18.679 -9.532 -3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.546 -11.741 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 31 19.314 -11.907 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.488 -12.223 -2.027 1.00 0.00 H new ATOM 468 N ILE A 32 17.650 -9.636 -0.349 1.00 0.00 N ATOM 469 CA ILE A 32 16.593 -9.262 0.599 1.00 0.00 C ATOM 470 C ILE A 32 16.543 -7.732 0.657 1.00 0.00 C ATOM 471 O ILE A 32 15.498 -7.136 0.446 1.00 0.00 O ATOM 472 CB ILE A 32 16.880 -9.854 2.026 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.824 -11.401 2.002 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.913 -9.294 3.091 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.471 -11.985 1.695 1.00 0.00 C ATOM 0 H ILE A 32 18.538 -9.870 0.096 1.00 0.00 H new ATOM 0 HA ILE A 32 15.636 -9.666 0.269 1.00 0.00 H new ATOM 0 HB ILE A 32 17.887 -9.544 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.536 -11.764 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.154 -11.776 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.148 -9.731 4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.019 -8.211 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.888 -9.545 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.534 -13.073 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.754 -11.659 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.143 -11.646 0.712 1.00 0.00 H new ATOM 487 N ALA A 33 17.703 -7.133 1.013 1.00 0.00 N ATOM 488 CA ALA A 33 17.940 -5.676 0.949 1.00 0.00 C ATOM 489 C ALA A 33 17.437 -5.042 -0.369 1.00 0.00 C ATOM 490 O ALA A 33 16.759 -4.010 -0.341 1.00 0.00 O ATOM 491 CB ALA A 33 19.430 -5.386 1.162 1.00 0.00 C ATOM 0 H ALA A 33 18.509 -7.656 1.356 1.00 0.00 H new ATOM 0 HA ALA A 33 17.360 -5.214 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.602 -4.311 1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.737 -5.760 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.012 -5.881 0.385 1.00 0.00 H new ATOM 497 N ASP A 34 17.791 -5.662 -1.512 1.00 0.00 N ATOM 498 CA ASP A 34 17.315 -5.239 -2.848 1.00 0.00 C ATOM 499 C ASP A 34 15.775 -5.257 -2.929 1.00 0.00 C ATOM 500 O ASP A 34 15.151 -4.255 -3.291 1.00 0.00 O ATOM 501 CB ASP A 34 17.913 -6.167 -3.936 1.00 0.00 C ATOM 502 CG ASP A 34 17.631 -5.693 -5.371 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.381 -4.827 -5.880 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.656 -6.162 -5.998 1.00 0.00 O ATOM 0 H ASP A 34 18.414 -6.469 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 34 17.648 -4.215 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 34 18.991 -6.236 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.509 -7.171 -3.808 1.00 0.00 H new ATOM 509 N ALA A 35 15.186 -6.409 -2.563 1.00 0.00 N ATOM 510 CA ALA A 35 13.735 -6.661 -2.660 1.00 0.00 C ATOM 511 C ALA A 35 12.899 -5.714 -1.777 1.00 0.00 C ATOM 512 O ALA A 35 11.879 -5.179 -2.215 1.00 0.00 O ATOM 513 CB ALA A 35 13.440 -8.117 -2.298 1.00 0.00 C ATOM 0 H ALA A 35 15.708 -7.200 -2.187 1.00 0.00 H new ATOM 0 HA ALA A 35 13.443 -6.464 -3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.368 -8.300 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.968 -8.777 -2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.773 -8.313 -1.279 1.00 0.00 H new ATOM 519 N ARG A 36 13.359 -5.538 -0.530 1.00 0.00 N ATOM 520 CA ARG A 36 12.680 -4.718 0.487 1.00 0.00 C ATOM 521 C ARG A 36 12.716 -3.255 0.085 1.00 0.00 C ATOM 522 O ARG A 36 11.702 -2.568 0.163 1.00 0.00 O ATOM 523 CB ARG A 36 13.295 -4.907 1.899 1.00 0.00 C ATOM 524 CG ARG A 36 12.474 -4.227 3.029 1.00 0.00 C ATOM 525 CD ARG A 36 13.121 -4.341 4.415 1.00 0.00 C ATOM 526 NE ARG A 36 14.471 -3.728 4.443 1.00 0.00 N ATOM 527 CZ ARG A 36 15.011 -3.065 5.471 1.00 0.00 C ATOM 528 NH1 ARG A 36 14.279 -2.749 6.528 1.00 0.00 N ATOM 529 NH2 ARG A 36 16.289 -2.690 5.417 1.00 0.00 N ATOM 0 H ARG A 36 14.222 -5.965 -0.194 1.00 0.00 H new ATOM 0 HA ARG A 36 11.644 -5.053 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.377 -5.973 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.307 -4.503 1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.341 -3.173 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.480 -4.674 3.064 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.485 -3.854 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.192 -5.391 4.698 1.00 0.00 H new ATOM 0 HE ARG A 36 15.040 -3.821 3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.294 -3.011 6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.700 -2.243 7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.850 -2.909 4.594 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.705 -2.184 6.199 1.00 0.00 H new ATOM 543 N LYS A 37 13.890 -2.806 -0.400 1.00 0.00 N ATOM 544 CA LYS A 37 14.066 -1.449 -0.925 1.00 0.00 C ATOM 545 C LYS A 37 13.166 -1.233 -2.140 1.00 0.00 C ATOM 546 O LYS A 37 12.602 -0.169 -2.296 1.00 0.00 O ATOM 547 CB LYS A 37 15.541 -1.197 -1.322 1.00 0.00 C ATOM 548 CG LYS A 37 15.799 0.180 -1.984 1.00 0.00 C ATOM 549 CD LYS A 37 17.227 0.326 -2.530 1.00 0.00 C ATOM 550 CE LYS A 37 17.532 -0.664 -3.674 1.00 0.00 C ATOM 551 NZ LYS A 37 18.918 -0.533 -4.170 1.00 0.00 N ATOM 0 H LYS A 37 14.736 -3.375 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 37 13.790 -0.745 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.164 -1.281 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.859 -1.982 -2.008 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.088 0.324 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.613 0.968 -1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.372 1.345 -2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.939 0.169 -1.720 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.368 -1.683 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.836 -0.493 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.078 -1.217 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.069 0.431 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.584 -0.722 -3.394 1.00 0.00 H new ATOM 565 N ALA A 38 12.993 -2.288 -2.951 1.00 0.00 N ATOM 566 CA ALA A 38 12.271 -2.193 -4.225 1.00 0.00 C ATOM 567 C ALA A 38 10.753 -2.135 -3.979 1.00 0.00 C ATOM 568 O ALA A 38 10.028 -1.430 -4.693 1.00 0.00 O ATOM 569 CB ALA A 38 12.629 -3.381 -5.131 1.00 0.00 C ATOM 0 H ALA A 38 13.347 -3.222 -2.743 1.00 0.00 H new ATOM 0 HA ALA A 38 12.571 -1.274 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.086 -3.297 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.701 -3.378 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.354 -4.312 -4.635 1.00 0.00 H new ATOM 575 N THR A 39 10.297 -2.866 -2.935 1.00 0.00 N ATOM 576 CA THR A 39 8.879 -2.954 -2.571 1.00 0.00 C ATOM 577 C THR A 39 8.458 -1.668 -1.830 1.00 0.00 C ATOM 578 O THR A 39 7.380 -1.143 -2.084 1.00 0.00 O ATOM 579 CB THR A 39 8.587 -4.229 -1.701 1.00 0.00 C ATOM 580 OG1 THR A 39 9.037 -5.413 -2.382 1.00 0.00 O ATOM 581 CG2 THR A 39 7.093 -4.398 -1.381 1.00 0.00 C ATOM 0 H THR A 39 10.909 -3.409 -2.326 1.00 0.00 H new ATOM 0 HA THR A 39 8.289 -3.049 -3.483 1.00 0.00 H new ATOM 0 HB THR A 39 9.128 -4.090 -0.765 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.016 -5.444 -2.372 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.949 -5.295 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.739 -3.528 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.530 -4.491 -2.310 1.00 0.00 H new ATOM 589 N ILE A 40 9.358 -1.153 -0.960 1.00 0.00 N ATOM 590 CA ILE A 40 9.162 0.127 -0.249 1.00 0.00 C ATOM 591 C ILE A 40 9.107 1.284 -1.266 1.00 0.00 C ATOM 592 O ILE A 40 8.106 1.973 -1.345 1.00 0.00 O ATOM 593 CB ILE A 40 10.294 0.369 0.835 1.00 0.00 C ATOM 594 CG1 ILE A 40 10.118 -0.593 2.059 1.00 0.00 C ATOM 595 CG2 ILE A 40 10.352 1.840 1.309 1.00 0.00 C ATOM 596 CD1 ILE A 40 8.855 -0.350 2.879 1.00 0.00 C ATOM 0 H ILE A 40 10.239 -1.615 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 40 8.213 0.084 0.286 1.00 0.00 H new ATOM 0 HB ILE A 40 11.244 0.147 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.109 -1.621 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.985 -0.492 2.712 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.143 1.952 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.558 2.489 0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 40 9.396 2.117 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.815 -1.060 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.868 0.666 3.274 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.978 -0.482 2.245 1.00 0.00 H new ATOM 608 N LEU A 41 10.176 1.424 -2.071 1.00 0.00 N ATOM 609 CA LEU A 41 10.329 2.482 -3.112 1.00 0.00 C ATOM 610 C LEU A 41 9.128 2.518 -4.085 1.00 0.00 C ATOM 611 O LEU A 41 8.702 3.596 -4.524 1.00 0.00 O ATOM 612 CB LEU A 41 11.714 2.285 -3.838 1.00 0.00 C ATOM 613 CG LEU A 41 11.871 2.717 -5.341 1.00 0.00 C ATOM 614 CD1 LEU A 41 13.331 3.099 -5.664 1.00 0.00 C ATOM 615 CD2 LEU A 41 11.410 1.603 -6.318 1.00 0.00 C ATOM 0 H LEU A 41 10.979 0.797 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 41 10.330 3.463 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.464 2.828 -3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.968 1.227 -3.775 1.00 0.00 H new ATOM 0 HG LEU A 41 11.230 3.588 -5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.407 3.393 -6.711 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.638 3.931 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 41 13.980 2.243 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.536 1.945 -7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.010 0.707 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.360 1.373 -6.138 1.00 0.00 H new ATOM 627 N GLN A 42 8.569 1.332 -4.369 1.00 0.00 N ATOM 628 CA GLN A 42 7.397 1.183 -5.246 1.00 0.00 C ATOM 629 C GLN A 42 6.145 1.685 -4.500 1.00 0.00 C ATOM 630 O GLN A 42 5.387 2.501 -5.022 1.00 0.00 O ATOM 631 CB GLN A 42 7.246 -0.305 -5.647 1.00 0.00 C ATOM 632 CG GLN A 42 6.105 -0.620 -6.631 1.00 0.00 C ATOM 633 CD GLN A 42 6.267 0.083 -7.981 1.00 0.00 C ATOM 634 OE1 GLN A 42 5.772 1.194 -8.191 1.00 0.00 O ATOM 635 NE2 GLN A 42 6.979 -0.552 -8.901 1.00 0.00 N ATOM 0 H GLN A 42 8.917 0.448 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 42 7.522 1.773 -6.154 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.184 -0.640 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.092 -0.892 -4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.059 -1.697 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.156 -0.323 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.375 -1.469 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.131 -0.123 -9.814 1.00 0.00 H new ATOM 644 N THR A 43 6.016 1.211 -3.242 1.00 0.00 N ATOM 645 CA THR A 43 4.910 1.546 -2.321 1.00 0.00 C ATOM 646 C THR A 43 4.784 3.072 -2.122 1.00 0.00 C ATOM 647 O THR A 43 3.677 3.578 -2.126 1.00 0.00 O ATOM 648 CB THR A 43 5.094 0.816 -0.934 1.00 0.00 C ATOM 649 OG1 THR A 43 4.893 -0.596 -1.111 1.00 0.00 O ATOM 650 CG2 THR A 43 4.162 1.334 0.194 1.00 0.00 C ATOM 0 H THR A 43 6.694 0.570 -2.830 1.00 0.00 H new ATOM 0 HA THR A 43 3.984 1.193 -2.775 1.00 0.00 H new ATOM 0 HB THR A 43 6.110 1.037 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.710 -1.000 -1.472 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.356 0.777 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.353 2.393 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.122 1.196 -0.101 1.00 0.00 H new ATOM 658 N LEU A 44 5.928 3.784 -1.998 1.00 0.00 N ATOM 659 CA LEU A 44 5.952 5.253 -1.764 1.00 0.00 C ATOM 660 C LEU A 44 5.273 5.981 -2.941 1.00 0.00 C ATOM 661 O LEU A 44 4.311 6.726 -2.762 1.00 0.00 O ATOM 662 CB LEU A 44 7.412 5.790 -1.601 1.00 0.00 C ATOM 663 CG LEU A 44 8.380 4.984 -0.672 1.00 0.00 C ATOM 664 CD1 LEU A 44 9.704 5.741 -0.451 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.719 4.564 0.666 1.00 0.00 C ATOM 0 H LEU A 44 6.855 3.364 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 44 5.411 5.448 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.863 5.843 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.355 6.810 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 44 8.614 4.056 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.354 5.155 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.197 5.900 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.499 6.705 0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.438 4.009 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.401 5.454 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.853 3.934 0.462 1.00 0.00 H new ATOM 677 N ARG A 45 5.765 5.687 -4.154 1.00 0.00 N ATOM 678 CA ARG A 45 5.289 6.313 -5.398 1.00 0.00 C ATOM 679 C ARG A 45 3.806 5.947 -5.668 1.00 0.00 C ATOM 680 O ARG A 45 3.046 6.751 -6.222 1.00 0.00 O ATOM 681 CB ARG A 45 6.208 5.863 -6.564 1.00 0.00 C ATOM 682 CG ARG A 45 5.938 6.557 -7.916 1.00 0.00 C ATOM 683 CD ARG A 45 6.901 6.089 -9.021 1.00 0.00 C ATOM 684 NE ARG A 45 6.839 4.633 -9.229 1.00 0.00 N ATOM 685 CZ ARG A 45 7.743 3.908 -9.897 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.794 4.483 -10.472 1.00 0.00 N ATOM 687 NH2 ARG A 45 7.579 2.602 -9.987 1.00 0.00 N ATOM 0 H ARG A 45 6.509 5.004 -4.301 1.00 0.00 H new ATOM 0 HA ARG A 45 5.335 7.398 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.244 6.045 -6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.099 4.787 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.912 6.358 -8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.030 7.636 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.658 6.599 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.920 6.374 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 45 6.042 4.137 -8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.921 5.493 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.473 3.914 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.771 2.158 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.260 2.036 -10.493 1.00 0.00 H new ATOM 701 N ILE A 46 3.402 4.728 -5.248 1.00 0.00 N ATOM 702 CA ILE A 46 2.005 4.259 -5.342 1.00 0.00 C ATOM 703 C ILE A 46 1.115 4.970 -4.287 1.00 0.00 C ATOM 704 O ILE A 46 -0.016 5.345 -4.597 1.00 0.00 O ATOM 705 CB ILE A 46 1.929 2.683 -5.209 1.00 0.00 C ATOM 706 CG1 ILE A 46 2.600 1.996 -6.446 1.00 0.00 C ATOM 707 CG2 ILE A 46 0.485 2.162 -5.009 1.00 0.00 C ATOM 708 CD1 ILE A 46 2.585 0.472 -6.423 1.00 0.00 C ATOM 0 H ILE A 46 4.036 4.044 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 46 1.618 4.521 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 46 2.481 2.417 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.094 2.336 -7.350 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.634 2.333 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.499 1.075 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.066 2.591 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.128 2.452 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.072 0.090 -7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.118 0.116 -5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.554 0.119 -6.391 1.00 0.00 H new ATOM 720 N GLU A 47 1.670 5.222 -3.074 1.00 0.00 N ATOM 721 CA GLU A 47 0.923 5.817 -1.931 1.00 0.00 C ATOM 722 C GLU A 47 0.327 7.178 -2.298 1.00 0.00 C ATOM 723 O GLU A 47 -0.810 7.459 -1.931 1.00 0.00 O ATOM 724 CB GLU A 47 1.820 5.980 -0.662 1.00 0.00 C ATOM 725 CG GLU A 47 1.994 4.728 0.205 1.00 0.00 C ATOM 726 CD GLU A 47 0.669 4.250 0.814 1.00 0.00 C ATOM 727 OE1 GLU A 47 0.206 4.865 1.802 1.00 0.00 O ATOM 728 OE2 GLU A 47 0.085 3.271 0.309 1.00 0.00 O ATOM 0 H GLU A 47 2.646 5.020 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 47 0.117 5.119 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.807 6.317 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.397 6.771 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.423 3.928 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.703 4.939 1.005 1.00 0.00 H new ATOM 735 N ARG A 48 1.119 8.014 -3.008 1.00 0.00 N ATOM 736 CA ARG A 48 0.656 9.333 -3.486 1.00 0.00 C ATOM 737 C ARG A 48 -0.664 9.191 -4.255 1.00 0.00 C ATOM 738 O ARG A 48 -1.679 9.774 -3.874 1.00 0.00 O ATOM 739 CB ARG A 48 1.715 10.010 -4.389 1.00 0.00 C ATOM 740 CG ARG A 48 1.266 11.386 -4.956 1.00 0.00 C ATOM 741 CD ARG A 48 2.313 12.034 -5.873 1.00 0.00 C ATOM 742 NE ARG A 48 3.629 12.082 -5.232 1.00 0.00 N ATOM 743 CZ ARG A 48 3.982 12.909 -4.245 1.00 0.00 C ATOM 744 NH1 ARG A 48 3.244 13.968 -3.946 1.00 0.00 N ATOM 745 NH2 ARG A 48 5.100 12.673 -3.585 1.00 0.00 N ATOM 0 H ARG A 48 2.083 7.796 -3.262 1.00 0.00 H new ATOM 0 HA ARG A 48 0.498 9.963 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.634 10.145 -3.818 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.950 9.344 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.337 11.257 -5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.051 12.061 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.381 11.472 -6.804 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.996 13.044 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 48 4.336 11.428 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.392 14.161 -4.473 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.528 14.590 -3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.678 11.870 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.386 13.294 -2.828 1.00 0.00 H new ATOM 759 N ASP A 49 -0.633 8.345 -5.291 1.00 0.00 N ATOM 760 CA ASP A 49 -1.770 8.150 -6.195 1.00 0.00 C ATOM 761 C ASP A 49 -2.977 7.600 -5.426 1.00 0.00 C ATOM 762 O ASP A 49 -4.069 8.151 -5.520 1.00 0.00 O ATOM 763 CB ASP A 49 -1.389 7.201 -7.362 1.00 0.00 C ATOM 764 CG ASP A 49 -2.515 7.077 -8.408 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.660 8.002 -9.236 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.256 6.068 -8.405 1.00 0.00 O ATOM 0 H ASP A 49 0.181 7.777 -5.525 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.040 9.117 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.485 7.570 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.157 6.214 -6.963 1.00 0.00 H new ATOM 771 N GLU A 50 -2.728 6.555 -4.613 1.00 0.00 N ATOM 772 CA GLU A 50 -3.767 5.854 -3.832 1.00 0.00 C ATOM 773 C GLU A 50 -4.486 6.782 -2.840 1.00 0.00 C ATOM 774 O GLU A 50 -5.693 6.649 -2.646 1.00 0.00 O ATOM 775 CB GLU A 50 -3.151 4.656 -3.080 1.00 0.00 C ATOM 776 CG GLU A 50 -2.576 3.558 -3.984 1.00 0.00 C ATOM 777 CD GLU A 50 -3.632 2.838 -4.834 1.00 0.00 C ATOM 778 OE1 GLU A 50 -4.269 1.896 -4.321 1.00 0.00 O ATOM 779 OE2 GLU A 50 -3.815 3.194 -6.019 1.00 0.00 O ATOM 0 H GLU A 50 -1.793 6.170 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.514 5.499 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.358 5.023 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.914 4.216 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.830 3.999 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.060 2.824 -3.365 1.00 0.00 H new ATOM 786 N ARG A 51 -3.743 7.720 -2.232 1.00 0.00 N ATOM 787 CA ARG A 51 -4.299 8.654 -1.231 1.00 0.00 C ATOM 788 C ARG A 51 -5.058 9.815 -1.909 1.00 0.00 C ATOM 789 O ARG A 51 -6.064 10.291 -1.378 1.00 0.00 O ATOM 790 CB ARG A 51 -3.180 9.197 -0.310 1.00 0.00 C ATOM 791 CG ARG A 51 -2.501 8.140 0.602 1.00 0.00 C ATOM 792 CD ARG A 51 -1.443 8.771 1.530 1.00 0.00 C ATOM 793 NE ARG A 51 -0.724 7.779 2.346 1.00 0.00 N ATOM 794 CZ ARG A 51 -0.153 8.026 3.536 1.00 0.00 C ATOM 795 NH1 ARG A 51 -0.235 9.234 4.105 1.00 0.00 N ATOM 796 NH2 ARG A 51 0.503 7.057 4.147 1.00 0.00 N ATOM 0 H ARG A 51 -2.749 7.855 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.012 8.102 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.415 9.662 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.599 9.981 0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.260 7.640 1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.031 7.376 -0.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.724 9.326 0.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.929 9.491 2.189 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.654 6.830 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.738 9.986 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.205 9.403 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.571 6.136 3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.942 7.230 5.051 1.00 0.00 H new ATOM 810 N LEU A 52 -4.576 10.254 -3.091 1.00 0.00 N ATOM 811 CA LEU A 52 -5.225 11.330 -3.879 1.00 0.00 C ATOM 812 C LEU A 52 -6.568 10.842 -4.476 1.00 0.00 C ATOM 813 O LEU A 52 -7.551 11.592 -4.491 1.00 0.00 O ATOM 814 CB LEU A 52 -4.253 11.888 -4.978 1.00 0.00 C ATOM 815 CG LEU A 52 -3.288 13.052 -4.532 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.453 12.703 -3.297 1.00 0.00 C ATOM 817 CD2 LEU A 52 -2.387 13.505 -5.702 1.00 0.00 C ATOM 0 H LEU A 52 -3.733 9.878 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.454 12.158 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.645 11.062 -5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.852 12.243 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.928 13.886 -4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.810 13.546 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.116 12.486 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.838 11.829 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.732 14.309 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.784 12.664 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.009 13.863 -6.523 1.00 0.00 H new ATOM 829 N ARG A 53 -6.619 9.568 -4.930 1.00 0.00 N ATOM 830 CA ARG A 53 -7.875 8.929 -5.404 1.00 0.00 C ATOM 831 C ARG A 53 -8.740 8.503 -4.200 1.00 0.00 C ATOM 832 O ARG A 53 -9.946 8.328 -4.334 1.00 0.00 O ATOM 833 CB ARG A 53 -7.587 7.725 -6.354 1.00 0.00 C ATOM 834 CG ARG A 53 -6.753 6.592 -5.725 1.00 0.00 C ATOM 835 CD ARG A 53 -6.370 5.473 -6.705 1.00 0.00 C ATOM 836 NE ARG A 53 -7.540 4.689 -7.138 1.00 0.00 N ATOM 837 CZ ARG A 53 -7.542 3.371 -7.385 1.00 0.00 C ATOM 838 NH1 ARG A 53 -6.434 2.652 -7.270 1.00 0.00 N ATOM 839 NH2 ARG A 53 -8.667 2.777 -7.744 1.00 0.00 N ATOM 0 H ARG A 53 -5.803 8.958 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.432 9.663 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.537 7.313 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.066 8.094 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.842 7.018 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.315 6.159 -4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.883 5.908 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.645 4.810 -6.232 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.420 5.190 -7.260 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.562 3.100 -6.990 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.454 1.650 -7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.525 3.321 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.677 1.775 -7.934 1.00 0.00 H new ATOM 853 N ALA A 54 -8.110 8.365 -3.014 1.00 0.00 N ATOM 854 CA ALA A 54 -8.842 8.150 -1.736 1.00 0.00 C ATOM 855 C ALA A 54 -9.533 9.448 -1.250 1.00 0.00 C ATOM 856 O ALA A 54 -10.195 9.449 -0.206 1.00 0.00 O ATOM 857 CB ALA A 54 -7.898 7.595 -0.657 1.00 0.00 C ATOM 0 H ALA A 54 -7.096 8.398 -2.909 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.624 7.413 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.453 7.445 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.484 6.643 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.087 8.303 -0.484 1.00 0.00 H new ATOM 863 N CYS A 55 -9.338 10.554 -2.000 1.00 0.00 N ATOM 864 CA CYS A 55 -10.056 11.825 -1.792 1.00 0.00 C ATOM 865 C CYS A 55 -11.116 12.049 -2.888 1.00 0.00 C ATOM 866 O CYS A 55 -11.894 12.983 -2.792 1.00 0.00 O ATOM 867 CB CYS A 55 -9.054 12.996 -1.785 1.00 0.00 C ATOM 868 SG CYS A 55 -7.684 12.773 -0.645 1.00 0.00 S ATOM 0 H CYS A 55 -8.672 10.588 -2.772 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.566 11.776 -0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -8.658 13.129 -2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -9.583 13.913 -1.527 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.893 11.845 -1.094 1.00 0.00 H new ATOM 874 N ASP A 56 -11.146 11.177 -3.917 1.00 0.00 N ATOM 875 CA ASP A 56 -12.034 11.346 -5.101 1.00 0.00 C ATOM 876 C ASP A 56 -13.524 11.409 -4.695 1.00 0.00 C ATOM 877 O ASP A 56 -14.315 12.131 -5.323 1.00 0.00 O ATOM 878 CB ASP A 56 -11.788 10.205 -6.128 1.00 0.00 C ATOM 879 CG ASP A 56 -12.596 10.354 -7.436 1.00 0.00 C ATOM 880 OD1 ASP A 56 -12.157 11.104 -8.338 1.00 0.00 O ATOM 881 OD2 ASP A 56 -13.671 9.735 -7.561 1.00 0.00 O ATOM 0 H ASP A 56 -10.563 10.341 -3.957 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.786 12.298 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.726 10.171 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.040 9.251 -5.664 1.00 0.00 H new ATOM 886 N TRP A 57 -13.876 10.683 -3.613 1.00 0.00 N ATOM 887 CA TRP A 57 -15.241 10.672 -3.059 1.00 0.00 C ATOM 888 C TRP A 57 -15.621 12.036 -2.443 1.00 0.00 C ATOM 889 O TRP A 57 -16.776 12.419 -2.515 1.00 0.00 O ATOM 890 CB TRP A 57 -15.421 9.539 -2.015 1.00 0.00 C ATOM 891 CG TRP A 57 -14.625 9.705 -0.734 1.00 0.00 C ATOM 892 CD1 TRP A 57 -13.274 9.576 -0.573 1.00 0.00 C ATOM 893 CD2 TRP A 57 -15.149 10.032 0.565 1.00 0.00 C ATOM 894 NE1 TRP A 57 -12.928 9.815 0.736 1.00 0.00 N ATOM 895 CE2 TRP A 57 -14.060 10.090 1.454 1.00 0.00 C ATOM 896 CE3 TRP A 57 -16.433 10.297 1.052 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -14.222 10.384 2.809 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -16.592 10.590 2.397 1.00 0.00 C ATOM 899 CH2 TRP A 57 -15.488 10.637 3.260 1.00 0.00 C ATOM 0 H TRP A 57 -13.222 10.090 -3.102 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.917 10.480 -3.892 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -16.478 9.467 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -15.140 8.593 -2.478 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.579 9.323 -1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -11.980 9.791 1.112 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -17.287 10.274 0.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -13.375 10.411 3.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -17.580 10.785 2.786 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.640 10.878 4.302 1.00 0.00 H new ATOM 910 N THR A 58 -14.647 12.758 -1.843 1.00 0.00 N ATOM 911 CA THR A 58 -14.905 14.087 -1.240 1.00 0.00 C ATOM 912 C THR A 58 -14.943 15.187 -2.312 1.00 0.00 C ATOM 913 O THR A 58 -15.568 16.237 -2.112 1.00 0.00 O ATOM 914 CB THR A 58 -13.852 14.462 -0.145 1.00 0.00 C ATOM 915 OG1 THR A 58 -12.520 14.484 -0.687 1.00 0.00 O ATOM 916 CG2 THR A 58 -13.898 13.473 1.007 1.00 0.00 C ATOM 0 H THR A 58 -13.679 12.445 -1.763 1.00 0.00 H new ATOM 0 HA THR A 58 -15.881 14.017 -0.760 1.00 0.00 H new ATOM 0 HB THR A 58 -14.106 15.458 0.217 1.00 0.00 H new ATOM 0 HG1 THR A 58 -12.516 14.046 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.158 13.753 1.757 1.00 0.00 H new ATOM 0 HG22 THR A 58 -14.891 13.483 1.456 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.678 12.472 0.636 1.00 0.00 H new ATOM 924 N GLN A 59 -14.274 14.926 -3.452 1.00 0.00 N ATOM 925 CA GLN A 59 -14.101 15.915 -4.540 1.00 0.00 C ATOM 926 C GLN A 59 -15.175 15.763 -5.639 1.00 0.00 C ATOM 927 O GLN A 59 -15.298 16.636 -6.505 1.00 0.00 O ATOM 928 CB GLN A 59 -12.666 15.795 -5.130 1.00 0.00 C ATOM 929 CG GLN A 59 -11.544 15.861 -4.064 1.00 0.00 C ATOM 930 CD GLN A 59 -11.545 17.135 -3.199 1.00 0.00 C ATOM 931 OE1 GLN A 59 -11.890 18.229 -3.658 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.178 16.993 -1.924 1.00 0.00 N ATOM 0 H GLN A 59 -13.838 14.025 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 59 -14.231 16.912 -4.119 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.584 14.853 -5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.513 16.595 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.634 14.995 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.580 15.782 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.898 16.077 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.178 17.800 -1.301 1.00 0.00 H new ATOM 941 N VAL A 60 -15.936 14.648 -5.607 1.00 0.00 N ATOM 942 CA VAL A 60 -17.110 14.446 -6.494 1.00 0.00 C ATOM 943 C VAL A 60 -18.345 15.131 -5.861 1.00 0.00 C ATOM 944 O VAL A 60 -18.443 15.216 -4.628 1.00 0.00 O ATOM 945 CB VAL A 60 -17.401 12.909 -6.756 1.00 0.00 C ATOM 946 CG1 VAL A 60 -17.846 12.180 -5.469 1.00 0.00 C ATOM 947 CG2 VAL A 60 -18.434 12.697 -7.897 1.00 0.00 C ATOM 0 H VAL A 60 -15.760 13.868 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.890 14.896 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 60 -16.458 12.467 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -18.035 11.130 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -17.060 12.255 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -18.758 12.640 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -18.602 11.630 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -19.374 13.180 -7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -18.051 13.132 -8.820 1.00 0.00 H new ATOM 957 N GLN A 61 -19.289 15.611 -6.701 1.00 0.00 N ATOM 958 CA GLN A 61 -20.509 16.318 -6.235 1.00 0.00 C ATOM 959 C GLN A 61 -21.560 15.359 -5.626 1.00 0.00 C ATOM 960 O GLN A 61 -22.596 15.812 -5.135 1.00 0.00 O ATOM 961 CB GLN A 61 -21.142 17.135 -7.396 1.00 0.00 C ATOM 962 CG GLN A 61 -21.661 16.296 -8.585 1.00 0.00 C ATOM 963 CD GLN A 61 -22.356 17.140 -9.649 1.00 0.00 C ATOM 964 OE1 GLN A 61 -21.725 17.638 -10.583 1.00 0.00 O ATOM 965 NE2 GLN A 61 -23.664 17.306 -9.519 1.00 0.00 N ATOM 0 H GLN A 61 -19.230 15.521 -7.715 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.194 16.996 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.970 17.721 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.400 17.842 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.826 15.764 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.356 15.542 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -24.157 16.880 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -24.178 17.860 -10.204 1.00 0.00 H new ATOM 974 N ASP A 62 -21.288 14.047 -5.673 1.00 0.00 N ATOM 975 CA ASP A 62 -22.187 13.013 -5.127 1.00 0.00 C ATOM 976 C ASP A 62 -22.226 13.042 -3.576 1.00 0.00 C ATOM 977 O ASP A 62 -23.246 12.689 -2.971 1.00 0.00 O ATOM 978 CB ASP A 62 -21.740 11.617 -5.642 1.00 0.00 C ATOM 979 CG ASP A 62 -22.599 10.455 -5.100 1.00 0.00 C ATOM 980 OD1 ASP A 62 -23.710 10.229 -5.621 1.00 0.00 O ATOM 981 OD2 ASP A 62 -22.169 9.779 -4.142 1.00 0.00 O ATOM 0 H ASP A 62 -20.438 13.669 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 62 -23.200 13.221 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.781 11.611 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.700 11.451 -5.361 1.00 0.00 H new ATOM 986 N VAL A 63 -21.110 13.460 -2.938 1.00 0.00 N ATOM 987 CA VAL A 63 -20.973 13.439 -1.465 1.00 0.00 C ATOM 988 C VAL A 63 -21.561 14.717 -0.825 1.00 0.00 C ATOM 989 O VAL A 63 -21.534 15.797 -1.425 1.00 0.00 O ATOM 990 CB VAL A 63 -19.464 13.260 -1.040 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.630 14.547 -1.301 1.00 0.00 C ATOM 992 CG2 VAL A 63 -19.337 12.798 0.434 1.00 0.00 C ATOM 0 H VAL A 63 -20.287 13.818 -3.424 1.00 0.00 H new ATOM 0 HA VAL A 63 -21.541 12.584 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 63 -19.050 12.473 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -17.597 14.380 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.658 14.790 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -19.049 15.375 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -18.284 12.685 0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -19.793 13.541 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -19.845 11.842 0.561 1.00 0.00 H new ATOM 1002 N VAL A 64 -22.091 14.576 0.403 1.00 0.00 N ATOM 1003 CA VAL A 64 -22.568 15.699 1.216 1.00 0.00 C ATOM 1004 C VAL A 64 -21.715 15.794 2.504 1.00 0.00 C ATOM 1005 O VAL A 64 -21.786 14.938 3.390 1.00 0.00 O ATOM 1006 CB VAL A 64 -24.119 15.601 1.516 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -24.514 14.267 2.203 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.612 16.830 2.324 1.00 0.00 C ATOM 0 H VAL A 64 -22.199 13.670 0.859 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.443 16.624 0.652 1.00 0.00 H new ATOM 0 HB VAL A 64 -24.627 15.608 0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -25.589 14.256 2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -24.246 13.431 1.556 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -23.985 14.176 3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -25.681 16.735 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.077 16.880 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -24.425 17.740 1.753 1.00 0.00 H new ATOM 1018 N LEU A 65 -20.848 16.815 2.544 1.00 0.00 N ATOM 1019 CA LEU A 65 -19.967 17.117 3.688 1.00 0.00 C ATOM 1020 C LEU A 65 -19.996 18.631 3.928 1.00 0.00 C ATOM 1021 O LEU A 65 -20.388 19.397 3.031 1.00 0.00 O ATOM 1022 CB LEU A 65 -18.504 16.658 3.396 1.00 0.00 C ATOM 1023 CG LEU A 65 -18.237 15.121 3.331 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -16.814 14.818 2.802 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -18.458 14.472 4.715 1.00 0.00 C ATOM 0 H LEU A 65 -20.735 17.468 1.769 1.00 0.00 H new ATOM 0 HA LEU A 65 -20.319 16.582 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -18.196 17.095 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -17.858 17.081 4.165 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.949 14.687 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -16.660 13.739 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -16.703 15.231 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -16.076 15.270 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.267 13.401 4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.776 14.918 5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.487 14.638 5.035 1.00 0.00 H new ATOM 1037 N THR A 66 -19.565 19.057 5.123 1.00 0.00 N ATOM 1038 CA THR A 66 -19.428 20.484 5.448 1.00 0.00 C ATOM 1039 C THR A 66 -18.259 21.102 4.658 1.00 0.00 C ATOM 1040 O THR A 66 -17.390 20.373 4.142 1.00 0.00 O ATOM 1041 CB THR A 66 -19.204 20.706 6.983 1.00 0.00 C ATOM 1042 OG1 THR A 66 -17.989 20.064 7.393 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.386 20.172 7.824 1.00 0.00 C ATOM 0 H THR A 66 -19.304 18.430 5.884 1.00 0.00 H new ATOM 0 HA THR A 66 -20.359 20.976 5.165 1.00 0.00 H new ATOM 0 HB THR A 66 -19.135 21.780 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 66 -17.931 20.068 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.188 20.347 8.882 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.301 20.690 7.536 1.00 0.00 H new ATOM 0 HG23 THR A 66 -20.503 19.103 7.649 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.264 22.447 4.537 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.145 23.196 3.930 1.00 0.00 C ATOM 1053 C ALA A 67 -15.821 22.838 4.632 1.00 0.00 C ATOM 1054 O ALA A 67 -14.795 22.659 3.980 1.00 0.00 O ATOM 1055 CB ALA A 67 -17.409 24.705 4.002 1.00 0.00 C ATOM 0 H ALA A 67 -19.034 23.037 4.853 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.064 22.915 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -16.575 25.242 3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.327 24.940 3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.513 25.007 5.044 1.00 0.00 H new ATOM 1061 N ASP A 68 -15.899 22.735 5.985 1.00 0.00 N ATOM 1062 CA ASP A 68 -14.800 22.247 6.845 1.00 0.00 C ATOM 1063 C ASP A 68 -14.189 20.937 6.302 1.00 0.00 C ATOM 1064 O ASP A 68 -13.001 20.887 6.017 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.300 22.013 8.294 1.00 0.00 C ATOM 1066 CG ASP A 68 -15.878 23.277 8.943 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -15.089 24.154 9.362 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -17.116 23.403 9.026 1.00 0.00 O ATOM 0 H ASP A 68 -16.736 22.992 6.509 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.029 23.017 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.062 21.234 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.474 21.645 8.902 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.051 19.926 6.094 1.00 0.00 N ATOM 1074 CA GLN A 69 -14.624 18.562 5.708 1.00 0.00 C ATOM 1075 C GLN A 69 -14.028 18.541 4.291 1.00 0.00 C ATOM 1076 O GLN A 69 -12.909 18.072 4.103 1.00 0.00 O ATOM 1077 CB GLN A 69 -15.797 17.556 5.831 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.310 17.338 7.271 1.00 0.00 C ATOM 1079 CD GLN A 69 -15.356 16.568 8.203 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -14.128 16.593 8.066 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -15.929 15.902 9.191 1.00 0.00 N ATOM 0 H GLN A 69 -16.062 20.027 6.188 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.841 18.254 6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.624 17.906 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.479 16.596 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.518 18.311 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.257 16.800 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.945 15.898 9.281 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.355 15.393 9.863 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.760 19.106 3.318 1.00 0.00 N ATOM 1091 CA LYS A 70 -14.362 19.088 1.887 1.00 0.00 C ATOM 1092 C LYS A 70 -13.094 19.921 1.617 1.00 0.00 C ATOM 1093 O LYS A 70 -12.343 19.598 0.696 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.533 19.579 0.997 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.705 18.586 0.893 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.911 19.141 0.108 1.00 0.00 C ATOM 1097 CE LYS A 70 -18.972 18.066 -0.165 1.00 0.00 C ATOM 1098 NZ LYS A 70 -20.115 18.587 -0.952 1.00 0.00 N ATOM 0 H LYS A 70 -15.642 19.588 3.492 1.00 0.00 H new ATOM 0 HA LYS A 70 -14.124 18.055 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.905 20.523 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.153 19.782 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.356 17.673 0.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.029 18.312 1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.362 19.959 0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.566 19.556 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.514 17.235 -0.701 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -19.337 17.671 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -20.745 17.801 -1.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.642 19.279 -0.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -19.761 19.047 -1.815 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.859 20.960 2.437 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.707 21.874 2.248 1.00 0.00 C ATOM 1114 C ALA A 71 -10.465 21.245 2.906 1.00 0.00 C ATOM 1115 O ALA A 71 -9.397 21.262 2.337 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.007 23.268 2.820 1.00 0.00 C ATOM 0 H ALA A 71 -13.447 21.192 3.237 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.517 22.009 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.145 23.917 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -12.874 23.691 2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.215 23.186 3.887 1.00 0.00 H new ATOM 1122 N THR A 72 -10.658 20.752 4.148 1.00 0.00 N ATOM 1123 CA THR A 72 -9.664 19.910 4.874 1.00 0.00 C ATOM 1124 C THR A 72 -9.163 18.717 4.006 1.00 0.00 C ATOM 1125 O THR A 72 -7.972 18.417 4.000 1.00 0.00 O ATOM 1126 CB THR A 72 -10.244 19.385 6.230 1.00 0.00 C ATOM 1127 OG1 THR A 72 -10.547 20.503 7.084 1.00 0.00 O ATOM 1128 CG2 THR A 72 -9.282 18.435 6.973 1.00 0.00 C ATOM 0 H THR A 72 -11.509 20.924 4.684 1.00 0.00 H new ATOM 0 HA THR A 72 -8.809 20.551 5.086 1.00 0.00 H new ATOM 0 HB THR A 72 -11.142 18.816 5.991 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.429 20.861 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.743 18.106 7.905 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.071 17.568 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.352 18.958 7.193 1.00 0.00 H new ATOM 1136 N TRP A 73 -10.088 18.066 3.277 1.00 0.00 N ATOM 1137 CA TRP A 73 -9.772 16.945 2.361 1.00 0.00 C ATOM 1138 C TRP A 73 -9.073 17.440 1.087 1.00 0.00 C ATOM 1139 O TRP A 73 -8.181 16.766 0.553 1.00 0.00 O ATOM 1140 CB TRP A 73 -11.060 16.148 2.005 1.00 0.00 C ATOM 1141 CG TRP A 73 -11.381 15.034 2.974 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -12.288 15.040 4.000 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -10.797 13.722 2.967 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -12.308 13.817 4.611 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -11.407 12.992 3.997 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -9.831 13.093 2.170 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -11.073 11.674 4.265 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -9.503 11.778 2.439 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -10.121 11.083 3.480 1.00 0.00 C ATOM 0 H TRP A 73 -11.080 18.301 3.304 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.083 16.278 2.879 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.903 16.838 1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -10.949 15.726 1.006 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.897 15.885 4.284 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.901 13.561 5.400 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -9.352 13.626 1.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.549 11.131 5.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.758 11.281 1.835 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.842 10.057 3.670 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.499 18.616 0.599 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.860 19.283 -0.548 1.00 0.00 C ATOM 1162 C ALA A 74 -7.444 19.756 -0.169 1.00 0.00 C ATOM 1163 O ALA A 74 -6.543 19.737 -0.994 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.721 20.464 -1.026 1.00 0.00 C ATOM 0 H ALA A 74 -10.291 19.129 0.985 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.775 18.569 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.236 20.948 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.703 20.100 -1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.835 21.183 -0.215 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.279 20.131 1.109 1.00 0.00 N ATOM 1171 CA LYS A 75 -6.023 20.678 1.673 1.00 0.00 C ATOM 1172 C LYS A 75 -5.047 19.526 1.955 1.00 0.00 C ATOM 1173 O LYS A 75 -3.834 19.682 1.832 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.358 21.450 2.976 1.00 0.00 C ATOM 1175 CG LYS A 75 -5.188 22.218 3.633 1.00 0.00 C ATOM 1176 CD LYS A 75 -5.582 22.869 4.986 1.00 0.00 C ATOM 1177 CE LYS A 75 -6.699 23.924 4.855 1.00 0.00 C ATOM 1178 NZ LYS A 75 -7.119 24.464 6.176 1.00 0.00 N ATOM 0 H LYS A 75 -8.028 20.063 1.798 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.552 21.361 0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.155 22.161 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.753 20.740 3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.354 21.534 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.838 22.992 2.950 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.908 22.089 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.701 23.336 5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.352 24.742 4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.560 23.479 4.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.871 25.169 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.475 23.689 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.305 24.912 6.643 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.627 18.374 2.343 1.00 0.00 N ATOM 1193 CA TYR A 76 -4.918 17.094 2.497 1.00 0.00 C ATOM 1194 C TYR A 76 -4.284 16.687 1.158 1.00 0.00 C ATOM 1195 O TYR A 76 -3.099 16.342 1.093 1.00 0.00 O ATOM 1196 CB TYR A 76 -5.927 16.003 2.990 1.00 0.00 C ATOM 1197 CG TYR A 76 -5.450 14.543 2.868 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -4.492 14.022 3.728 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -5.955 13.686 1.881 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -4.062 12.716 3.614 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -5.526 12.372 1.771 1.00 0.00 C ATOM 1202 CZ TYR A 76 -4.576 11.895 2.640 1.00 0.00 C ATOM 1203 OH TYR A 76 -4.149 10.588 2.544 1.00 0.00 O ATOM 0 H TYR A 76 -6.621 18.308 2.562 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.122 17.196 3.235 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.165 16.201 4.035 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.853 16.111 2.426 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.076 14.651 4.501 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.696 14.058 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.315 12.336 4.296 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.936 11.728 1.007 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.873 10.033 2.187 1.00 0.00 H new ATOM 1213 N ARG A 77 -5.107 16.766 0.096 1.00 0.00 N ATOM 1214 CA ARG A 77 -4.711 16.392 -1.264 1.00 0.00 C ATOM 1215 C ARG A 77 -3.634 17.359 -1.799 1.00 0.00 C ATOM 1216 O ARG A 77 -2.627 16.913 -2.352 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.961 16.358 -2.188 1.00 0.00 C ATOM 1218 CG ARG A 77 -5.679 15.861 -3.626 1.00 0.00 C ATOM 1219 CD ARG A 77 -6.953 15.689 -4.473 1.00 0.00 C ATOM 1220 NE ARG A 77 -7.687 16.957 -4.675 1.00 0.00 N ATOM 1221 CZ ARG A 77 -8.620 17.167 -5.619 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.965 16.204 -6.470 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -9.234 18.337 -5.681 1.00 0.00 N ATOM 0 H ARG A 77 -6.070 17.094 0.164 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.274 15.393 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.715 15.714 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.387 17.360 -2.240 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.014 16.567 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.153 14.908 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.684 15.272 -5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.611 14.968 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.468 17.732 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.519 15.288 -6.412 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.675 16.381 -7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.998 19.073 -5.015 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.943 18.504 -6.395 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.858 18.684 -1.615 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.906 19.737 -2.041 1.00 0.00 C ATOM 1239 C GLN A 78 -1.544 19.637 -1.329 1.00 0.00 C ATOM 1240 O GLN A 78 -0.499 19.796 -1.970 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.504 21.161 -1.841 1.00 0.00 C ATOM 1242 CG GLN A 78 -4.690 21.525 -2.763 1.00 0.00 C ATOM 1243 CD GLN A 78 -4.401 21.299 -4.248 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -3.867 22.171 -4.930 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -4.775 20.128 -4.758 1.00 0.00 N ATOM 0 H GLN A 78 -4.699 19.050 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.734 19.569 -3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.830 21.256 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.711 21.893 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.558 20.932 -2.476 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.953 22.571 -2.607 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.215 19.429 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.621 19.930 -5.747 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.568 19.383 -0.015 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.340 19.276 0.797 1.00 0.00 C ATOM 1256 C ALA A 79 0.498 18.076 0.335 1.00 0.00 C ATOM 1257 O ALA A 79 1.707 18.191 0.129 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.695 19.169 2.290 1.00 0.00 C ATOM 0 H ALA A 79 -2.428 19.246 0.516 1.00 0.00 H new ATOM 0 HA ALA A 79 0.258 20.177 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.220 19.091 2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.248 20.057 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.309 18.284 2.455 1.00 0.00 H new ATOM 1264 N LEU A 80 -0.184 16.940 0.130 1.00 0.00 N ATOM 1265 CA LEU A 80 0.432 15.674 -0.291 1.00 0.00 C ATOM 1266 C LEU A 80 1.087 15.809 -1.685 1.00 0.00 C ATOM 1267 O LEU A 80 2.270 15.489 -1.845 1.00 0.00 O ATOM 1268 CB LEU A 80 -0.676 14.574 -0.276 1.00 0.00 C ATOM 1269 CG LEU A 80 -0.232 13.086 -0.073 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -1.459 12.208 0.220 1.00 0.00 C ATOM 1271 CD2 LEU A 80 0.567 12.522 -1.275 1.00 0.00 C ATOM 0 H LEU A 80 -1.194 16.874 0.254 1.00 0.00 H new ATOM 0 HA LEU A 80 1.232 15.397 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.383 14.823 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.220 14.635 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 80 0.445 13.068 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.142 11.175 0.360 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.952 12.562 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.155 12.264 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.846 11.488 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.049 12.563 -2.173 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.467 13.118 -1.425 1.00 0.00 H new ATOM 1283 N ARG A 81 0.309 16.304 -2.674 1.00 0.00 N ATOM 1284 CA ARG A 81 0.769 16.421 -4.081 1.00 0.00 C ATOM 1285 C ARG A 81 1.945 17.411 -4.214 1.00 0.00 C ATOM 1286 O ARG A 81 2.805 17.235 -5.084 1.00 0.00 O ATOM 1287 CB ARG A 81 -0.391 16.852 -5.028 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.943 18.271 -4.761 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.945 18.764 -5.812 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.309 19.024 -7.115 1.00 0.00 N ATOM 1291 CZ ARG A 81 -0.851 20.212 -7.536 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -0.905 21.296 -6.758 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -0.312 20.307 -8.743 1.00 0.00 N ATOM 0 H ARG A 81 -0.646 16.631 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 81 1.113 15.431 -4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.040 16.800 -6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.206 16.135 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.424 18.283 -3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.108 18.971 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.732 18.020 -5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.422 19.677 -5.455 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.208 18.233 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.301 21.232 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.550 22.188 -7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.249 19.482 -9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.040 21.205 -9.075 1.00 0.00 H new ATOM 1307 N ASP A 82 1.961 18.441 -3.338 1.00 0.00 N ATOM 1308 CA ASP A 82 2.977 19.507 -3.352 1.00 0.00 C ATOM 1309 C ASP A 82 4.358 18.936 -2.990 1.00 0.00 C ATOM 1310 O ASP A 82 5.349 19.214 -3.676 1.00 0.00 O ATOM 1311 CB ASP A 82 2.578 20.645 -2.377 1.00 0.00 C ATOM 1312 CG ASP A 82 3.536 21.844 -2.435 1.00 0.00 C ATOM 1313 OD1 ASP A 82 3.443 22.645 -3.392 1.00 0.00 O ATOM 1314 OD2 ASP A 82 4.407 21.979 -1.547 1.00 0.00 O ATOM 0 H ASP A 82 1.265 18.553 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 82 3.033 19.923 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.568 20.981 -2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.555 20.254 -1.360 1.00 0.00 H new ATOM 1319 N LEU A 83 4.399 18.126 -1.912 1.00 0.00 N ATOM 1320 CA LEU A 83 5.625 17.427 -1.475 1.00 0.00 C ATOM 1321 C LEU A 83 5.887 16.206 -2.390 1.00 0.00 C ATOM 1322 O LEU A 83 5.150 15.224 -2.313 1.00 0.00 O ATOM 1323 CB LEU A 83 5.538 16.982 0.030 1.00 0.00 C ATOM 1324 CG LEU A 83 5.749 18.093 1.117 1.00 0.00 C ATOM 1325 CD1 LEU A 83 7.051 18.885 0.880 1.00 0.00 C ATOM 1326 CD2 LEU A 83 4.529 19.024 1.234 1.00 0.00 C ATOM 0 H LEU A 83 3.588 17.939 -1.323 1.00 0.00 H new ATOM 0 HA LEU A 83 6.459 18.124 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.559 16.531 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.281 16.201 0.195 1.00 0.00 H new ATOM 0 HG LEU A 83 5.852 17.583 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.161 19.645 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.902 18.205 0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.012 19.366 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.719 19.778 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.352 19.514 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.651 18.440 1.510 1.00 0.00 H new ATOM 1453 N GLN A 92 12.299 8.237 1.810 1.00 0.00 N ATOM 1454 CA GLN A 92 11.932 9.423 2.597 1.00 0.00 C ATOM 1455 C GLN A 92 10.676 10.091 1.989 1.00 0.00 C ATOM 1456 O GLN A 92 10.733 10.737 0.932 1.00 0.00 O ATOM 1457 CB GLN A 92 13.131 10.415 2.707 1.00 0.00 C ATOM 1458 CG GLN A 92 13.701 10.933 1.366 1.00 0.00 C ATOM 1459 CD GLN A 92 14.809 11.972 1.527 1.00 0.00 C ATOM 1460 OE1 GLN A 92 15.568 11.951 2.496 1.00 0.00 O ATOM 1461 NE2 GLN A 92 14.911 12.891 0.573 1.00 0.00 N ATOM 0 HA GLN A 92 11.688 9.114 3.613 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.815 11.272 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.935 9.925 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.088 10.088 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.890 11.368 0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.266 12.880 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.635 13.608 0.630 1.00 0.00 H new ATOM 1470 N ILE A 93 9.514 9.848 2.626 1.00 0.00 N ATOM 1471 CA ILE A 93 8.231 10.490 2.281 1.00 0.00 C ATOM 1472 C ILE A 93 7.485 10.870 3.569 1.00 0.00 C ATOM 1473 O ILE A 93 7.060 10.005 4.326 1.00 0.00 O ATOM 1474 CB ILE A 93 7.346 9.589 1.298 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.415 8.045 1.628 1.00 0.00 C ATOM 1476 CG2 ILE A 93 7.741 9.846 -0.179 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.492 7.537 2.723 1.00 0.00 C ATOM 0 H ILE A 93 9.439 9.192 3.404 1.00 0.00 H new ATOM 0 HA ILE A 93 8.437 11.404 1.723 1.00 0.00 H new ATOM 0 HB ILE A 93 6.311 9.891 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.195 7.492 0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.440 7.803 1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.129 9.225 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.580 10.896 -0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.793 9.598 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.636 6.464 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 93 6.720 8.049 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.456 7.733 2.446 1.00 0.00 H new ATOM 1489 N VAL A 94 7.407 12.172 3.877 1.00 0.00 N ATOM 1490 CA VAL A 94 6.580 12.687 4.980 1.00 0.00 C ATOM 1491 C VAL A 94 5.464 13.551 4.373 1.00 0.00 C ATOM 1492 O VAL A 94 5.724 14.635 3.855 1.00 0.00 O ATOM 1493 CB VAL A 94 7.451 13.520 5.997 1.00 0.00 C ATOM 1494 CG1 VAL A 94 6.597 14.077 7.165 1.00 0.00 C ATOM 1495 CG2 VAL A 94 8.631 12.674 6.543 1.00 0.00 C ATOM 0 H VAL A 94 7.914 12.898 3.370 1.00 0.00 H new ATOM 0 HA VAL A 94 6.146 11.858 5.539 1.00 0.00 H new ATOM 0 HB VAL A 94 7.858 14.370 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.234 14.645 7.843 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.818 14.728 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.137 13.250 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.215 13.273 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.241 11.795 7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.267 12.359 5.715 1.00 0.00 H new ATOM 1505 N TRP A 95 4.237 13.030 4.378 1.00 0.00 N ATOM 1506 CA TRP A 95 3.053 13.691 3.792 1.00 0.00 C ATOM 1507 C TRP A 95 1.837 13.486 4.729 1.00 0.00 C ATOM 1508 O TRP A 95 1.888 12.592 5.584 1.00 0.00 O ATOM 1509 CB TRP A 95 2.809 13.154 2.343 1.00 0.00 C ATOM 1510 CG TRP A 95 2.910 11.648 2.148 1.00 0.00 C ATOM 1511 CD1 TRP A 95 2.560 10.647 3.021 1.00 0.00 C ATOM 1512 CD2 TRP A 95 3.388 10.990 0.971 1.00 0.00 C ATOM 1513 NE1 TRP A 95 2.823 9.424 2.469 1.00 0.00 N ATOM 1514 CE2 TRP A 95 3.318 9.607 1.208 1.00 0.00 C ATOM 1515 CE3 TRP A 95 3.873 11.444 -0.264 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 3.716 8.678 0.260 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 4.259 10.515 -1.206 1.00 0.00 C ATOM 1518 CH2 TRP A 95 4.178 9.148 -0.935 1.00 0.00 C ATOM 0 H TRP A 95 4.026 12.123 4.794 1.00 0.00 H new ATOM 0 HA TRP A 95 3.215 14.765 3.704 1.00 0.00 H new ATOM 0 HB2 TRP A 95 1.817 13.473 2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.527 13.633 1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.138 10.803 4.003 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.674 8.523 2.924 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.943 12.501 -0.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.662 7.618 0.460 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.628 10.848 -2.165 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.489 8.443 -1.692 1.00 0.00 H new ATOM 1529 N PRO A 96 0.732 14.297 4.604 1.00 0.00 N ATOM 1530 CA PRO A 96 -0.405 14.238 5.555 1.00 0.00 C ATOM 1531 C PRO A 96 -1.106 12.853 5.593 1.00 0.00 C ATOM 1532 O PRO A 96 -1.169 12.130 4.584 1.00 0.00 O ATOM 1533 CB PRO A 96 -1.362 15.360 5.051 1.00 0.00 C ATOM 1534 CG PRO A 96 -1.007 15.540 3.610 1.00 0.00 C ATOM 1535 CD PRO A 96 0.486 15.324 3.543 1.00 0.00 C ATOM 0 HA PRO A 96 -0.077 14.383 6.584 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.407 15.072 5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.220 16.283 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.537 14.825 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.277 16.536 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.798 14.970 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.035 16.245 3.739 1.00 0.00 H new ATOM 1543 N GLN A 97 -1.547 12.483 6.803 1.00 0.00 N ATOM 1544 CA GLN A 97 -2.468 11.360 7.046 1.00 0.00 C ATOM 1545 C GLN A 97 -3.903 11.918 7.075 1.00 0.00 C ATOM 1546 O GLN A 97 -4.128 12.997 7.644 1.00 0.00 O ATOM 1547 CB GLN A 97 -2.105 10.660 8.387 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.924 9.393 8.708 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.770 8.272 7.667 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -1.724 8.133 7.026 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -3.803 7.455 7.509 1.00 0.00 N ATOM 0 H GLN A 97 -1.269 12.964 7.658 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.387 10.614 6.255 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.048 10.394 8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.238 11.375 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.621 9.014 9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.977 9.663 8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.653 7.597 8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -3.747 6.685 6.842 1.00 0.00 H new ATOM 1560 N LEU A 98 -4.866 11.193 6.466 1.00 0.00 N ATOM 1561 CA LEU A 98 -6.241 11.709 6.220 1.00 0.00 C ATOM 1562 C LEU A 98 -7.009 12.021 7.534 1.00 0.00 C ATOM 1563 O LEU A 98 -6.787 11.346 8.545 1.00 0.00 O ATOM 1564 CB LEU A 98 -7.040 10.745 5.260 1.00 0.00 C ATOM 1565 CG LEU A 98 -6.784 9.203 5.361 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -7.079 8.639 6.760 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -7.587 8.443 4.279 1.00 0.00 C ATOM 0 H LEU A 98 -4.720 10.241 6.131 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.143 12.667 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.103 10.916 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.828 11.049 4.235 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.720 9.049 5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.883 7.567 6.769 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.439 9.131 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.124 8.819 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.395 7.374 4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.652 8.633 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.281 8.786 3.291 1.00 0.00 H new ATOM 1579 N PRO A 99 -7.898 13.073 7.539 1.00 0.00 N ATOM 1580 CA PRO A 99 -8.629 13.513 8.764 1.00 0.00 C ATOM 1581 C PRO A 99 -9.620 12.437 9.293 1.00 0.00 C ATOM 1582 O PRO A 99 -9.714 12.208 10.506 1.00 0.00 O ATOM 1583 CB PRO A 99 -9.368 14.803 8.298 1.00 0.00 C ATOM 1584 CG PRO A 99 -9.497 14.655 6.806 1.00 0.00 C ATOM 1585 CD PRO A 99 -8.240 13.936 6.362 1.00 0.00 C ATOM 0 HA PRO A 99 -7.958 13.684 9.606 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.345 14.892 8.773 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.804 15.698 8.559 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.389 14.086 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.585 15.627 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.413 13.342 5.465 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.437 14.636 6.131 1.00 0.00 H new ATOM 1593 N VAL A 100 -10.340 11.784 8.368 1.00 0.00 N ATOM 1594 CA VAL A 100 -11.337 10.747 8.690 1.00 0.00 C ATOM 1595 C VAL A 100 -10.629 9.380 8.840 1.00 0.00 C ATOM 1596 O VAL A 100 -10.465 8.898 9.982 1.00 0.00 O ATOM 1597 CB VAL A 100 -12.476 10.692 7.594 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -13.500 9.560 7.886 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -13.180 12.073 7.459 1.00 0.00 C ATOM 1600 OXT VAL A 100 -10.201 8.815 7.818 1.00 0.00 O ATOM 0 H VAL A 100 -10.247 11.961 7.368 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.818 10.997 9.636 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.005 10.459 6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.267 9.554 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.987 8.599 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -13.966 9.732 8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -13.960 12.011 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -13.625 12.349 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.449 12.827 7.168 1.00 0.00 H new