USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 513 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 39 ASN :FLIP amide:sc= -1.23 F(o=-5.5!,f=-1.9) USER MOD Set 1.2: A 52 CYS SG : rot 180:sc= -0.711! USER MOD Single : A 1 MET CE :methyl -123:sc= -0.0213 (180deg=-0.23) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.203 (180deg=-0.203) USER MOD Single : A 5 MET CE :methyl 178:sc= -0.0435 (180deg=-0.0478) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.2!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -6.88! C(o=-6.9!,f=-11!) USER MOD Single : A 37 TYR OH : rot 130:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= -4.65! (180deg=-4.87!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 34:sc= 0.878 USER MOD Single : A 48 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -178:sc= -0.243 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.946 11.019 -8.703 1.00 0.00 N ATOM 2 CA MET A 1 -8.549 10.634 -8.792 1.00 0.00 C ATOM 3 C MET A 1 -7.935 11.096 -10.115 1.00 0.00 C ATOM 4 O MET A 1 -6.797 10.750 -10.431 1.00 0.00 O ATOM 5 CB MET A 1 -8.428 9.114 -8.676 1.00 0.00 C ATOM 6 CG MET A 1 -8.808 8.432 -9.992 1.00 0.00 C ATOM 7 SD MET A 1 -7.338 7.882 -10.841 1.00 0.00 S ATOM 8 CE MET A 1 -6.893 6.488 -9.819 1.00 0.00 C ATOM 0 H1 MET A 1 -10.339 10.694 -7.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.025 12.054 -8.763 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.476 10.585 -9.485 1.00 0.00 H new ATOM 0 HA MET A 1 -8.008 11.113 -7.976 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.407 8.846 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.075 8.754 -7.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.463 7.583 -9.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.364 9.125 -10.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.879 6.622 -9.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.586 6.416 -8.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.942 5.573 -10.410 1.00 0.00 H new ATOM 16 N PHE A 2 -8.716 11.870 -10.855 1.00 0.00 N ATOM 17 CA PHE A 2 -8.264 12.382 -12.137 1.00 0.00 C ATOM 18 C PHE A 2 -6.748 12.239 -12.281 1.00 0.00 C ATOM 19 O PHE A 2 -5.992 12.745 -11.453 1.00 0.00 O ATOM 20 CB PHE A 2 -8.631 13.868 -12.179 1.00 0.00 C ATOM 21 CG PHE A 2 -10.133 14.141 -12.078 1.00 0.00 C ATOM 22 CD1 PHE A 2 -10.716 14.290 -10.858 1.00 0.00 C ATOM 23 CD2 PHE A 2 -10.884 14.236 -13.207 1.00 0.00 C ATOM 24 CE1 PHE A 2 -12.109 14.543 -10.764 1.00 0.00 C ATOM 25 CE2 PHE A 2 -12.278 14.490 -13.112 1.00 0.00 C ATOM 26 CZ PHE A 2 -12.861 14.638 -11.893 1.00 0.00 C ATOM 0 H PHE A 2 -9.659 12.155 -10.591 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.733 11.824 -12.947 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.123 14.380 -11.362 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.255 14.298 -13.107 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.119 14.216 -9.961 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.421 14.118 -14.176 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.572 14.660 -9.795 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -12.875 14.566 -14.009 1.00 0.00 H new ATOM 0 HZ PHE A 2 -13.921 14.831 -11.821 1.00 0.00 H new ATOM 35 N PRO A 3 -6.338 11.530 -13.367 1.00 0.00 N ATOM 36 CA PRO A 3 -4.926 11.313 -13.630 1.00 0.00 C ATOM 37 C PRO A 3 -4.268 12.585 -14.170 1.00 0.00 C ATOM 38 O PRO A 3 -3.522 13.253 -13.456 1.00 0.00 O ATOM 39 CB PRO A 3 -4.882 10.158 -14.617 1.00 0.00 C ATOM 40 CG PRO A 3 -6.273 10.075 -15.224 1.00 0.00 C ATOM 41 CD PRO A 3 -7.206 10.917 -14.368 1.00 0.00 C ATOM 0 HA PRO A 3 -4.363 11.071 -12.729 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.130 10.331 -15.387 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -4.618 9.226 -14.116 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.264 10.440 -16.251 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.614 9.040 -15.256 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.717 11.672 -14.965 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -7.977 10.304 -13.902 1.00 0.00 H new ATOM 46 N ALA A 4 -4.569 12.882 -15.426 1.00 0.00 N ATOM 47 CA ALA A 4 -4.016 14.061 -16.070 1.00 0.00 C ATOM 48 C ALA A 4 -3.529 15.040 -14.999 1.00 0.00 C ATOM 49 O ALA A 4 -2.347 15.379 -14.955 1.00 0.00 O ATOM 50 CB ALA A 4 -5.068 14.681 -16.991 1.00 0.00 C ATOM 0 H ALA A 4 -5.189 12.326 -16.015 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.159 13.794 -16.688 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.653 15.566 -17.474 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.359 13.956 -17.751 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.943 14.964 -16.405 1.00 0.00 H new ATOM 56 N MET A 5 -4.464 15.466 -14.164 1.00 0.00 N ATOM 57 CA MET A 5 -4.146 16.399 -13.096 1.00 0.00 C ATOM 58 C MET A 5 -3.979 15.670 -11.761 1.00 0.00 C ATOM 59 O MET A 5 -4.391 14.520 -11.623 1.00 0.00 O ATOM 60 CB MET A 5 -5.263 17.437 -12.974 1.00 0.00 C ATOM 61 CG MET A 5 -5.037 18.603 -13.939 1.00 0.00 C ATOM 62 SD MET A 5 -3.730 19.654 -13.331 1.00 0.00 S ATOM 63 CE MET A 5 -4.675 20.749 -12.284 1.00 0.00 C ATOM 0 H MET A 5 -5.443 15.182 -14.205 1.00 0.00 H new ATOM 0 HA MET A 5 -3.205 16.892 -13.340 1.00 0.00 H new ATOM 0 HB2 MET A 5 -6.224 16.968 -13.184 1.00 0.00 H new ATOM 0 HB3 MET A 5 -5.307 17.810 -11.951 1.00 0.00 H new ATOM 0 HG2 MET A 5 -4.779 18.223 -14.927 1.00 0.00 H new ATOM 0 HG3 MET A 5 -5.956 19.178 -14.049 1.00 0.00 H new ATOM 0 HE1 MET A 5 -4.003 21.453 -11.794 1.00 0.00 H new ATOM 0 HE2 MET A 5 -5.397 21.297 -12.889 1.00 0.00 H new ATOM 0 HE3 MET A 5 -5.203 20.166 -11.529 1.00 0.00 H new ATOM 71 N PRO A 6 -3.356 16.388 -10.789 1.00 0.00 N ATOM 72 CA PRO A 6 -3.129 15.822 -9.470 1.00 0.00 C ATOM 73 C PRO A 6 -4.426 15.782 -8.660 1.00 0.00 C ATOM 74 O PRO A 6 -5.067 16.811 -8.457 1.00 0.00 O ATOM 75 CB PRO A 6 -2.062 16.702 -8.841 1.00 0.00 C ATOM 76 CG PRO A 6 -2.066 17.996 -9.639 1.00 0.00 C ATOM 77 CD PRO A 6 -2.854 17.752 -10.917 1.00 0.00 C ATOM 0 HA PRO A 6 -2.797 14.785 -9.509 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.281 16.891 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.085 16.221 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -2.518 18.801 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.047 18.304 -9.872 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.671 18.466 -11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.222 17.860 -11.798 1.00 0.00 H new ATOM 82 N LEU A 7 -4.774 14.581 -8.218 1.00 0.00 N ATOM 83 CA LEU A 7 -5.983 14.394 -7.434 1.00 0.00 C ATOM 84 C LEU A 7 -5.713 14.801 -5.984 1.00 0.00 C ATOM 85 O LEU A 7 -4.568 15.043 -5.606 1.00 0.00 O ATOM 86 CB LEU A 7 -6.504 12.964 -7.585 1.00 0.00 C ATOM 87 CG LEU A 7 -5.500 11.849 -7.280 1.00 0.00 C ATOM 88 CD1 LEU A 7 -4.722 11.452 -8.535 1.00 0.00 C ATOM 89 CD2 LEU A 7 -4.571 12.248 -6.131 1.00 0.00 C ATOM 0 H LEU A 7 -4.240 13.729 -8.388 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.780 15.039 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.365 12.841 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.862 12.835 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.055 10.969 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.016 10.658 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.416 11.097 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.178 12.317 -8.915 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.868 11.439 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.021 13.149 -6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.162 12.441 -5.236 1.00 0.00 H new ATOM 100 N SER A 8 -6.788 14.862 -5.210 1.00 0.00 N ATOM 101 CA SER A 8 -6.682 15.235 -3.810 1.00 0.00 C ATOM 102 C SER A 8 -7.948 14.817 -3.060 1.00 0.00 C ATOM 103 O SER A 8 -8.597 15.645 -2.423 1.00 0.00 O ATOM 104 CB SER A 8 -6.445 16.738 -3.657 1.00 0.00 C ATOM 105 OG SER A 8 -6.849 17.463 -4.815 1.00 0.00 O ATOM 0 H SER A 8 -7.736 14.659 -5.527 1.00 0.00 H new ATOM 0 HA SER A 8 -5.826 14.715 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.994 17.105 -2.790 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.388 16.921 -3.466 1.00 0.00 H new ATOM 0 HG SER A 8 -6.683 18.419 -4.677 1.00 0.00 H new ATOM 110 N SER A 9 -8.261 13.534 -3.161 1.00 0.00 N ATOM 111 CA SER A 9 -9.439 12.996 -2.500 1.00 0.00 C ATOM 112 C SER A 9 -9.071 11.732 -1.722 1.00 0.00 C ATOM 113 O SER A 9 -9.024 10.641 -2.289 1.00 0.00 O ATOM 114 CB SER A 9 -10.548 12.694 -3.510 1.00 0.00 C ATOM 115 OG SER A 9 -11.621 13.628 -3.420 1.00 0.00 O ATOM 0 H SER A 9 -7.720 12.851 -3.691 1.00 0.00 H new ATOM 0 HA SER A 9 -9.813 13.747 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.135 12.713 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.929 11.687 -3.340 1.00 0.00 H new ATOM 0 HG SER A 9 -12.308 13.402 -4.082 1.00 0.00 H new ATOM 120 N LEU A 10 -8.819 11.920 -0.435 1.00 0.00 N ATOM 121 CA LEU A 10 -8.456 10.808 0.427 1.00 0.00 C ATOM 122 C LEU A 10 -6.939 10.615 0.393 1.00 0.00 C ATOM 123 O LEU A 10 -6.447 9.500 0.557 1.00 0.00 O ATOM 124 CB LEU A 10 -9.243 9.554 0.044 1.00 0.00 C ATOM 125 CG LEU A 10 -9.741 8.692 1.207 1.00 0.00 C ATOM 126 CD1 LEU A 10 -8.887 8.914 2.456 1.00 0.00 C ATOM 127 CD2 LEU A 10 -11.226 8.938 1.476 1.00 0.00 C ATOM 0 H LEU A 10 -8.859 12.826 0.032 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.727 11.024 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.104 9.857 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.614 8.936 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.636 7.644 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.261 8.290 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.852 8.648 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.938 9.962 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.554 8.313 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.381 9.987 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.803 8.689 0.585 1.00 0.00 H new ATOM 138 N PHE A 11 -6.239 11.720 0.178 1.00 0.00 N ATOM 139 CA PHE A 11 -4.787 11.686 0.119 1.00 0.00 C ATOM 140 C PHE A 11 -4.199 13.088 0.288 1.00 0.00 C ATOM 141 O PHE A 11 -3.066 13.343 -0.118 1.00 0.00 O ATOM 142 CB PHE A 11 -4.407 11.149 -1.262 1.00 0.00 C ATOM 143 CG PHE A 11 -2.899 11.009 -1.482 1.00 0.00 C ATOM 144 CD1 PHE A 11 -2.048 11.083 -0.424 1.00 0.00 C ATOM 145 CD2 PHE A 11 -2.411 10.811 -2.736 1.00 0.00 C ATOM 146 CE1 PHE A 11 -0.649 10.954 -0.628 1.00 0.00 C ATOM 147 CE2 PHE A 11 -1.011 10.682 -2.940 1.00 0.00 C ATOM 148 CZ PHE A 11 -0.160 10.756 -1.882 1.00 0.00 C ATOM 0 H PHE A 11 -6.650 12.644 0.043 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.397 11.058 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.876 10.176 -1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.815 11.813 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.436 11.240 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.087 10.752 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.027 11.013 0.212 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.623 10.525 -3.935 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.904 10.658 -2.037 1.00 0.00 H new ATOM 157 N VAL A 12 -4.995 13.961 0.888 1.00 0.00 N ATOM 158 CA VAL A 12 -4.568 15.331 1.114 1.00 0.00 C ATOM 159 C VAL A 12 -3.372 15.336 2.068 1.00 0.00 C ATOM 160 O VAL A 12 -3.521 15.620 3.256 1.00 0.00 O ATOM 161 CB VAL A 12 -5.743 16.168 1.625 1.00 0.00 C ATOM 162 CG1 VAL A 12 -6.249 15.640 2.969 1.00 0.00 C ATOM 163 CG2 VAL A 12 -5.360 17.646 1.725 1.00 0.00 C ATOM 0 H VAL A 12 -5.934 13.746 1.225 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.242 15.789 0.180 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.556 16.081 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.084 16.253 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.580 14.608 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.444 15.683 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.212 18.219 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.524 17.759 2.415 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.071 18.014 0.741 1.00 0.00 H new ATOM 173 N ASN A 13 -2.211 15.018 1.513 1.00 0.00 N ATOM 174 CA ASN A 13 -0.990 14.983 2.299 1.00 0.00 C ATOM 175 C ASN A 13 -1.051 16.067 3.377 1.00 0.00 C ATOM 176 O ASN A 13 -1.056 15.764 4.568 1.00 0.00 O ATOM 177 CB ASN A 13 0.236 15.252 1.425 1.00 0.00 C ATOM 178 CG ASN A 13 1.480 14.575 2.002 1.00 0.00 C ATOM 179 OD1 ASN A 13 1.415 13.536 2.640 1.00 0.00 O ATOM 180 ND2 ASN A 13 2.615 15.219 1.744 1.00 0.00 N ATOM 0 H ASN A 13 -2.091 14.782 0.528 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.904 13.992 2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.054 14.886 0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.404 16.326 1.349 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.501 14.848 2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.599 16.084 1.204 1.00 0.00 H new ATOM 186 N GLY A 14 -1.095 17.309 2.918 1.00 0.00 N ATOM 187 CA GLY A 14 -1.154 18.441 3.828 1.00 0.00 C ATOM 188 C GLY A 14 -0.595 18.070 5.202 1.00 0.00 C ATOM 189 O GLY A 14 0.403 17.357 5.299 1.00 0.00 O ATOM 0 H GLY A 14 -1.091 17.557 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.587 19.275 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.186 18.777 3.930 1.00 0.00 H new ATOM 193 N PRO A 15 -1.281 18.582 6.259 1.00 0.00 N ATOM 194 CA PRO A 15 -0.863 18.311 7.624 1.00 0.00 C ATOM 195 C PRO A 15 -1.228 16.883 8.036 1.00 0.00 C ATOM 196 O PRO A 15 -1.716 16.104 7.220 1.00 0.00 O ATOM 197 CB PRO A 15 -1.561 19.368 8.465 1.00 0.00 C ATOM 198 CG PRO A 15 -2.701 19.898 7.610 1.00 0.00 C ATOM 199 CD PRO A 15 -2.467 19.430 6.182 1.00 0.00 C ATOM 0 HA PRO A 15 0.218 18.367 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.937 18.941 9.395 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.872 20.168 8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.659 19.532 7.980 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.738 20.986 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.325 18.877 5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.308 20.273 5.510 1.00 0.00 H new ATOM 204 N ARG A 16 -0.976 16.584 9.302 1.00 0.00 N ATOM 205 CA ARG A 16 -1.272 15.265 9.833 1.00 0.00 C ATOM 206 C ARG A 16 -2.668 15.244 10.458 1.00 0.00 C ATOM 207 O ARG A 16 -3.055 14.261 11.089 1.00 0.00 O ATOM 208 CB ARG A 16 -0.242 14.851 10.885 1.00 0.00 C ATOM 209 CG ARG A 16 0.113 16.027 11.796 1.00 0.00 C ATOM 210 CD ARG A 16 1.363 16.753 11.292 1.00 0.00 C ATOM 211 NE ARG A 16 1.217 18.212 11.497 1.00 0.00 N ATOM 212 CZ ARG A 16 2.054 19.128 10.991 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.101 18.742 10.249 1.00 0.00 N ATOM 214 NH2 ARG A 16 1.844 20.430 11.228 1.00 0.00 N ATOM 0 H ARG A 16 -0.570 17.233 9.976 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.232 14.558 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.637 14.030 11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.658 14.483 10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.724 16.724 11.839 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.281 15.667 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.244 16.389 11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.516 16.539 10.234 1.00 0.00 H new ATOM 0 HE ARG A 16 0.431 18.540 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.261 17.751 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.738 19.439 9.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.047 20.723 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.481 21.128 10.843 1.00 0.00 H new ATOM 225 N THR A 17 -3.385 16.340 10.263 1.00 0.00 N ATOM 226 CA THR A 17 -4.730 16.460 10.800 1.00 0.00 C ATOM 227 C THR A 17 -5.767 16.208 9.704 1.00 0.00 C ATOM 228 O THR A 17 -6.916 16.632 9.822 1.00 0.00 O ATOM 229 CB THR A 17 -4.857 17.839 11.451 1.00 0.00 C ATOM 230 OG1 THR A 17 -3.664 17.972 12.220 1.00 0.00 O ATOM 231 CG2 THR A 17 -5.979 17.894 12.491 1.00 0.00 C ATOM 0 H THR A 17 -3.060 17.154 9.740 1.00 0.00 H new ATOM 0 HA THR A 17 -4.920 15.705 11.563 1.00 0.00 H new ATOM 0 HB THR A 17 -5.038 18.589 10.681 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.663 18.840 12.675 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.026 18.894 12.923 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.930 17.660 12.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.780 17.168 13.279 1.00 0.00 H new ATOM 239 N LEU A 18 -5.326 15.519 8.663 1.00 0.00 N ATOM 240 CA LEU A 18 -6.200 15.206 7.546 1.00 0.00 C ATOM 241 C LEU A 18 -6.693 13.763 7.680 1.00 0.00 C ATOM 242 O LEU A 18 -6.812 13.243 8.788 1.00 0.00 O ATOM 243 CB LEU A 18 -5.500 15.496 6.218 1.00 0.00 C ATOM 244 CG LEU A 18 -5.372 16.972 5.835 1.00 0.00 C ATOM 245 CD1 LEU A 18 -6.629 17.461 5.112 1.00 0.00 C ATOM 246 CD2 LEU A 18 -5.045 17.830 7.059 1.00 0.00 C ATOM 0 H LEU A 18 -4.373 15.168 8.569 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.081 15.848 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.500 15.063 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.042 14.981 5.425 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.539 17.074 5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.513 18.513 4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.778 16.876 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.494 17.343 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.959 18.874 6.759 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.840 17.729 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.102 17.499 7.494 1.00 0.00 H new ATOM 257 N CYS A 19 -6.966 13.157 6.534 1.00 0.00 N ATOM 258 CA CYS A 19 -7.443 11.784 6.508 1.00 0.00 C ATOM 259 C CYS A 19 -6.239 10.855 6.678 1.00 0.00 C ATOM 260 O CYS A 19 -6.334 9.656 6.414 1.00 0.00 O ATOM 261 CB CYS A 19 -8.224 11.480 5.228 1.00 0.00 C ATOM 262 SG CYS A 19 -9.778 10.547 5.481 1.00 0.00 S ATOM 0 H CYS A 19 -6.866 13.591 5.616 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.143 11.623 7.328 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.458 12.421 4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -7.582 10.913 4.553 1.00 0.00 H new ATOM 266 N GLY A 20 -5.136 11.442 7.116 1.00 0.00 N ATOM 267 CA GLY A 20 -3.915 10.681 7.323 1.00 0.00 C ATOM 268 C GLY A 20 -2.921 10.919 6.185 1.00 0.00 C ATOM 269 O GLY A 20 -3.119 10.434 5.072 1.00 0.00 O ATOM 0 H GLY A 20 -5.061 12.436 7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.461 10.966 8.272 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.151 9.619 7.388 1.00 0.00 H new ATOM 273 N ALA A 21 -1.873 11.665 6.504 1.00 0.00 N ATOM 274 CA ALA A 21 -0.848 11.973 5.522 1.00 0.00 C ATOM 275 C ALA A 21 0.362 11.065 5.752 1.00 0.00 C ATOM 276 O ALA A 21 1.321 11.096 4.983 1.00 0.00 O ATOM 277 CB ALA A 21 -0.487 13.457 5.609 1.00 0.00 C ATOM 0 H ALA A 21 -1.712 12.065 7.428 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.215 11.785 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.282 13.688 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.373 14.059 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.112 13.682 6.607 1.00 0.00 H new ATOM 283 N GLU A 22 0.277 10.276 6.814 1.00 0.00 N ATOM 284 CA GLU A 22 1.352 9.361 7.155 1.00 0.00 C ATOM 285 C GLU A 22 1.434 8.232 6.126 1.00 0.00 C ATOM 286 O GLU A 22 2.493 7.988 5.549 1.00 0.00 O ATOM 287 CB GLU A 22 1.171 8.804 8.568 1.00 0.00 C ATOM 288 CG GLU A 22 2.490 8.259 9.117 1.00 0.00 C ATOM 289 CD GLU A 22 2.254 7.025 9.990 1.00 0.00 C ATOM 290 OE1 GLU A 22 2.008 7.225 11.199 1.00 0.00 O ATOM 291 OE2 GLU A 22 2.323 5.910 9.429 1.00 0.00 O ATOM 0 H GLU A 22 -0.521 10.252 7.449 1.00 0.00 H new ATOM 0 HA GLU A 22 2.292 9.912 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.796 9.588 9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.423 8.011 8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.153 8.003 8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.991 9.031 9.701 1.00 0.00 H new ATOM 296 N LEU A 23 0.303 7.571 5.928 1.00 0.00 N ATOM 297 CA LEU A 23 0.233 6.474 4.979 1.00 0.00 C ATOM 298 C LEU A 23 1.293 6.675 3.894 1.00 0.00 C ATOM 299 O LEU A 23 2.013 5.741 3.544 1.00 0.00 O ATOM 300 CB LEU A 23 -1.188 6.329 4.430 1.00 0.00 C ATOM 301 CG LEU A 23 -2.104 7.542 4.611 1.00 0.00 C ATOM 302 CD1 LEU A 23 -2.854 7.468 5.942 1.00 0.00 C ATOM 303 CD2 LEU A 23 -1.319 8.848 4.466 1.00 0.00 C ATOM 0 H LEU A 23 -0.573 7.775 6.409 1.00 0.00 H new ATOM 0 HA LEU A 23 0.457 5.529 5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.124 6.103 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.656 5.470 4.911 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.852 7.527 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.498 8.341 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.462 6.564 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.137 7.446 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.993 9.694 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.534 8.887 5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.870 8.894 3.474 1.00 0.00 H new ATOM 314 N VAL A 24 1.357 7.900 3.393 1.00 0.00 N ATOM 315 CA VAL A 24 2.317 8.235 2.356 1.00 0.00 C ATOM 316 C VAL A 24 3.689 8.469 2.993 1.00 0.00 C ATOM 317 O VAL A 24 4.701 7.984 2.489 1.00 0.00 O ATOM 318 CB VAL A 24 1.820 9.437 1.551 1.00 0.00 C ATOM 319 CG1 VAL A 24 1.194 10.490 2.468 1.00 0.00 C ATOM 320 CG2 VAL A 24 2.948 10.041 0.713 1.00 0.00 C ATOM 0 H VAL A 24 0.759 8.673 3.686 1.00 0.00 H new ATOM 0 HA VAL A 24 2.421 7.410 1.652 1.00 0.00 H new ATOM 0 HB VAL A 24 1.047 9.085 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.849 11.334 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.349 10.053 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.937 10.834 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.567 10.894 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.753 10.370 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.329 9.290 0.020 1.00 0.00 H new ATOM 330 N ASP A 25 3.677 9.211 4.090 1.00 0.00 N ATOM 331 CA ASP A 25 4.907 9.515 4.801 1.00 0.00 C ATOM 332 C ASP A 25 5.511 8.218 5.343 1.00 0.00 C ATOM 333 O ASP A 25 6.732 8.074 5.401 1.00 0.00 O ATOM 334 CB ASP A 25 4.644 10.445 5.987 1.00 0.00 C ATOM 335 CG ASP A 25 3.958 11.765 5.633 1.00 0.00 C ATOM 336 OD1 ASP A 25 3.880 12.057 4.419 1.00 0.00 O ATOM 337 OD2 ASP A 25 3.526 12.454 6.583 1.00 0.00 O ATOM 0 H ASP A 25 2.835 9.611 4.504 1.00 0.00 H new ATOM 0 HA ASP A 25 5.587 10.004 4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.028 9.916 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.594 10.666 6.474 1.00 0.00 H new ATOM 341 N ALA A 26 4.629 7.306 5.726 1.00 0.00 N ATOM 342 CA ALA A 26 5.061 6.026 6.262 1.00 0.00 C ATOM 343 C ALA A 26 5.893 5.292 5.208 1.00 0.00 C ATOM 344 O ALA A 26 7.024 4.890 5.475 1.00 0.00 O ATOM 345 CB ALA A 26 3.838 5.220 6.704 1.00 0.00 C ATOM 0 H ALA A 26 3.618 7.428 5.676 1.00 0.00 H new ATOM 0 HA ALA A 26 5.692 6.169 7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.161 4.260 7.106 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.297 5.772 7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.183 5.053 5.848 1.00 0.00 H new ATOM 351 N LEU A 27 5.300 5.139 4.033 1.00 0.00 N ATOM 352 CA LEU A 27 5.973 4.461 2.937 1.00 0.00 C ATOM 353 C LEU A 27 7.127 5.331 2.437 1.00 0.00 C ATOM 354 O LEU A 27 7.991 4.858 1.699 1.00 0.00 O ATOM 355 CB LEU A 27 4.970 4.081 1.846 1.00 0.00 C ATOM 356 CG LEU A 27 3.741 3.295 2.309 1.00 0.00 C ATOM 357 CD1 LEU A 27 2.450 3.990 1.871 1.00 0.00 C ATOM 358 CD2 LEU A 27 3.803 1.845 1.826 1.00 0.00 C ATOM 0 H LEU A 27 4.361 5.473 3.816 1.00 0.00 H new ATOM 0 HA LEU A 27 6.407 3.522 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.630 4.995 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.490 3.492 1.091 1.00 0.00 H new ATOM 0 HG LEU A 27 3.741 3.271 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.592 3.412 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.410 4.989 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.428 4.065 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.918 1.309 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.840 1.826 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.696 1.366 2.228 1.00 0.00 H new ATOM 369 N GLN A 28 7.105 6.587 2.858 1.00 0.00 N ATOM 370 CA GLN A 28 8.139 7.527 2.460 1.00 0.00 C ATOM 371 C GLN A 28 9.285 7.514 3.473 1.00 0.00 C ATOM 372 O GLN A 28 10.343 8.092 3.227 1.00 0.00 O ATOM 373 CB GLN A 28 7.566 8.936 2.298 1.00 0.00 C ATOM 374 CG GLN A 28 7.968 9.540 0.951 1.00 0.00 C ATOM 375 CD GLN A 28 6.741 10.038 0.185 1.00 0.00 C ATOM 376 OE1 GLN A 28 5.687 9.424 0.183 1.00 0.00 O ATOM 377 NE2 GLN A 28 6.937 11.182 -0.465 1.00 0.00 N ATOM 0 H GLN A 28 6.388 6.975 3.470 1.00 0.00 H new ATOM 0 HA GLN A 28 8.532 7.217 1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.479 8.902 2.375 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.923 9.573 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.661 10.366 1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.494 8.793 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.845 11.644 -0.421 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.179 11.597 -1.007 1.00 0.00 H new ATOM 384 N PHE A 29 9.037 6.849 4.592 1.00 0.00 N ATOM 385 CA PHE A 29 10.035 6.754 5.643 1.00 0.00 C ATOM 386 C PHE A 29 10.669 5.362 5.673 1.00 0.00 C ATOM 387 O PHE A 29 11.877 5.230 5.867 1.00 0.00 O ATOM 388 CB PHE A 29 9.312 7.000 6.969 1.00 0.00 C ATOM 389 CG PHE A 29 9.377 5.821 7.942 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.532 5.551 8.608 1.00 0.00 C ATOM 391 CD2 PHE A 29 8.281 5.041 8.139 1.00 0.00 C ATOM 392 CE1 PHE A 29 10.592 4.457 9.510 1.00 0.00 C ATOM 393 CE2 PHE A 29 8.341 3.947 9.042 1.00 0.00 C ATOM 394 CZ PHE A 29 9.496 3.678 9.708 1.00 0.00 C ATOM 0 H PHE A 29 8.159 6.371 4.793 1.00 0.00 H new ATOM 0 HA PHE A 29 10.828 7.482 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.744 7.878 7.449 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.267 7.231 6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 29 11.403 6.169 8.450 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.365 5.254 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.509 4.243 10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.470 3.329 9.200 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.542 2.845 10.394 1.00 0.00 H new ATOM 403 N VAL A 30 9.827 4.358 5.478 1.00 0.00 N ATOM 404 CA VAL A 30 10.289 2.981 5.479 1.00 0.00 C ATOM 405 C VAL A 30 10.548 2.533 4.039 1.00 0.00 C ATOM 406 O VAL A 30 11.529 1.843 3.767 1.00 0.00 O ATOM 407 CB VAL A 30 9.283 2.091 6.211 1.00 0.00 C ATOM 408 CG1 VAL A 30 9.005 0.812 5.419 1.00 0.00 C ATOM 409 CG2 VAL A 30 9.765 1.767 7.625 1.00 0.00 C ATOM 0 H VAL A 30 8.826 4.471 5.318 1.00 0.00 H new ATOM 0 HA VAL A 30 11.231 2.895 6.020 1.00 0.00 H new ATOM 0 HB VAL A 30 8.347 2.643 6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.287 0.197 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.597 1.071 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.933 0.256 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.031 1.133 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 30 10.720 1.245 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.888 2.692 8.189 1.00 0.00 H new ATOM 419 N CYS A 31 9.651 2.944 3.155 1.00 0.00 N ATOM 420 CA CYS A 31 9.769 2.593 1.750 1.00 0.00 C ATOM 421 C CYS A 31 10.855 3.471 1.126 1.00 0.00 C ATOM 422 O CYS A 31 11.502 3.072 0.157 1.00 0.00 O ATOM 423 CB CYS A 31 8.433 2.731 1.018 1.00 0.00 C ATOM 424 SG CYS A 31 7.857 1.210 0.179 1.00 0.00 S ATOM 0 H CYS A 31 8.839 3.517 3.385 1.00 0.00 H new ATOM 0 HA CYS A 31 10.052 1.545 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.673 3.044 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.521 3.526 0.278 1.00 0.00 H new ATOM 428 N GLY A 32 11.024 4.651 1.705 1.00 0.00 N ATOM 429 CA GLY A 32 12.020 5.589 1.218 1.00 0.00 C ATOM 430 C GLY A 32 11.368 6.900 0.772 1.00 0.00 C ATOM 431 O GLY A 32 10.458 6.894 -0.054 1.00 0.00 O ATOM 0 H GLY A 32 10.487 4.979 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.749 5.790 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.564 5.147 0.383 1.00 0.00 H new ATOM 435 N ASP A 33 11.861 7.990 1.339 1.00 0.00 N ATOM 436 CA ASP A 33 11.338 9.306 1.012 1.00 0.00 C ATOM 437 C ASP A 33 10.755 9.280 -0.403 1.00 0.00 C ATOM 438 O ASP A 33 9.784 9.978 -0.691 1.00 0.00 O ATOM 439 CB ASP A 33 12.444 10.363 1.048 1.00 0.00 C ATOM 440 CG ASP A 33 13.503 10.154 2.131 1.00 0.00 C ATOM 441 OD1 ASP A 33 13.093 9.935 3.291 1.00 0.00 O ATOM 442 OD2 ASP A 33 14.700 10.216 1.773 1.00 0.00 O ATOM 0 H ASP A 33 12.617 7.990 2.023 1.00 0.00 H new ATOM 0 HA ASP A 33 10.574 9.558 1.748 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.938 10.383 0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.986 11.341 1.193 1.00 0.00 H new ATOM 446 N ARG A 34 11.372 8.467 -1.248 1.00 0.00 N ATOM 447 CA ARG A 34 10.926 8.341 -2.625 1.00 0.00 C ATOM 448 C ARG A 34 9.398 8.353 -2.692 1.00 0.00 C ATOM 449 O ARG A 34 8.821 8.731 -3.709 1.00 0.00 O ATOM 450 CB ARG A 34 11.447 7.048 -3.256 1.00 0.00 C ATOM 451 CG ARG A 34 12.972 7.072 -3.375 1.00 0.00 C ATOM 452 CD ARG A 34 13.410 7.720 -4.690 1.00 0.00 C ATOM 453 NE ARG A 34 14.238 8.915 -4.415 1.00 0.00 N ATOM 454 CZ ARG A 34 15.509 8.867 -3.992 1.00 0.00 C ATOM 455 NH1 ARG A 34 16.104 7.683 -3.790 1.00 0.00 N ATOM 456 NH2 ARG A 34 16.184 10.003 -3.767 1.00 0.00 N ATOM 0 H ARG A 34 12.177 7.889 -1.006 1.00 0.00 H new ATOM 0 HA ARG A 34 11.324 9.190 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.139 6.195 -2.652 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.004 6.916 -4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.397 7.622 -2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.361 6.055 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.976 7.005 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.535 8.001 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 34 13.815 9.832 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.590 6.818 -3.958 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.071 7.647 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.730 10.904 -3.918 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.151 9.966 -3.445 1.00 0.00 H new ATOM 467 N GLY A 35 8.787 7.934 -1.593 1.00 0.00 N ATOM 468 CA GLY A 35 7.336 7.891 -1.515 1.00 0.00 C ATOM 469 C GLY A 35 6.774 6.747 -2.359 1.00 0.00 C ATOM 470 O GLY A 35 7.148 6.585 -3.519 1.00 0.00 O ATOM 0 H GLY A 35 9.269 7.622 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.028 7.767 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.922 8.839 -1.859 1.00 0.00 H new ATOM 474 N PHE A 36 5.885 5.980 -1.743 1.00 0.00 N ATOM 475 CA PHE A 36 5.267 4.855 -2.424 1.00 0.00 C ATOM 476 C PHE A 36 3.802 5.147 -2.748 1.00 0.00 C ATOM 477 O PHE A 36 2.996 5.375 -1.847 1.00 0.00 O ATOM 478 CB PHE A 36 5.339 3.661 -1.470 1.00 0.00 C ATOM 479 CG PHE A 36 4.550 2.439 -1.943 1.00 0.00 C ATOM 480 CD1 PHE A 36 5.129 1.541 -2.786 1.00 0.00 C ATOM 481 CD2 PHE A 36 3.271 2.249 -1.521 1.00 0.00 C ATOM 482 CE1 PHE A 36 4.396 0.406 -3.225 1.00 0.00 C ATOM 483 CE2 PHE A 36 2.540 1.114 -1.960 1.00 0.00 C ATOM 484 CZ PHE A 36 3.117 0.216 -2.803 1.00 0.00 C ATOM 0 H PHE A 36 5.578 6.116 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 36 5.785 4.658 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.383 3.378 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.965 3.967 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.145 1.691 -3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.812 2.962 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.855 -0.307 -3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.525 0.963 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.560 -0.647 -3.137 1.00 0.00 H new ATOM 493 N TYR A 37 3.499 5.131 -4.038 1.00 0.00 N ATOM 494 CA TYR A 37 2.143 5.391 -4.492 1.00 0.00 C ATOM 495 C TYR A 37 1.140 5.222 -3.349 1.00 0.00 C ATOM 496 O TYR A 37 0.858 6.172 -2.620 1.00 0.00 O ATOM 497 CB TYR A 37 1.851 4.346 -5.571 1.00 0.00 C ATOM 498 CG TYR A 37 0.438 4.427 -6.150 1.00 0.00 C ATOM 499 CD1 TYR A 37 -0.388 5.478 -5.807 1.00 0.00 C ATOM 500 CD2 TYR A 37 -0.011 3.451 -7.016 1.00 0.00 C ATOM 501 CE1 TYR A 37 -1.719 5.556 -6.353 1.00 0.00 C ATOM 502 CE2 TYR A 37 -1.341 3.527 -7.561 1.00 0.00 C ATOM 503 CZ TYR A 37 -2.130 4.576 -7.203 1.00 0.00 C ATOM 504 OH TYR A 37 -3.386 4.648 -7.718 1.00 0.00 O ATOM 0 H TYR A 37 4.169 4.942 -4.783 1.00 0.00 H new ATOM 0 HA TYR A 37 2.052 6.412 -4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.571 4.464 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.004 3.352 -5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -0.037 6.242 -5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.636 2.629 -7.285 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.375 6.373 -6.094 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.704 2.769 -8.239 1.00 0.00 H new ATOM 0 HH TYR A 37 -3.348 4.535 -8.691 1.00 0.00 H new ATOM 513 N PHE A 38 0.628 4.005 -3.230 1.00 0.00 N ATOM 514 CA PHE A 38 -0.338 3.699 -2.188 1.00 0.00 C ATOM 515 C PHE A 38 -1.175 2.474 -2.561 1.00 0.00 C ATOM 516 O PHE A 38 -0.792 1.344 -2.265 1.00 0.00 O ATOM 517 CB PHE A 38 -1.259 4.914 -2.062 1.00 0.00 C ATOM 518 CG PHE A 38 -0.970 5.792 -0.843 1.00 0.00 C ATOM 519 CD1 PHE A 38 -0.335 5.265 0.239 1.00 0.00 C ATOM 520 CD2 PHE A 38 -1.345 7.098 -0.842 1.00 0.00 C ATOM 521 CE1 PHE A 38 -0.065 6.080 1.369 1.00 0.00 C ATOM 522 CE2 PHE A 38 -1.076 7.913 0.289 1.00 0.00 C ATOM 523 CZ PHE A 38 -0.442 7.387 1.372 1.00 0.00 C ATOM 0 H PHE A 38 0.864 3.220 -3.837 1.00 0.00 H new ATOM 0 HA PHE A 38 0.178 3.482 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.168 5.520 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.292 4.570 -2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.037 4.227 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.848 7.516 -1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.440 5.662 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.375 8.951 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.238 8.006 2.233 1.00 0.00 H new ATOM 532 N ASN A 39 -2.303 2.741 -3.203 1.00 0.00 N ATOM 533 CA ASN A 39 -3.198 1.674 -3.618 1.00 0.00 C ATOM 534 C ASN A 39 -2.954 1.356 -5.095 1.00 0.00 C ATOM 535 O ASN A 39 -2.750 2.260 -5.902 1.00 0.00 O ATOM 536 CB ASN A 39 -4.662 2.090 -3.459 1.00 0.00 C ATOM 537 CG ASN A 39 -5.588 1.132 -4.210 1.00 0.00 C ATOM 538 OD1 ASN A 39 -5.877 0.022 -3.538 1.00 0.00 O flip ATOM 539 ND2 ASN A 39 -6.013 1.385 -5.326 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.618 3.680 -3.446 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.000 0.805 -2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.927 2.104 -2.402 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.799 3.104 -3.835 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.751 2.257 -5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.630 0.724 -5.799 1.00 0.00 H new ATOM 545 N LYS A 40 -2.984 0.068 -5.403 1.00 0.00 N ATOM 546 CA LYS A 40 -2.769 -0.381 -6.767 1.00 0.00 C ATOM 547 C LYS A 40 -4.119 -0.701 -7.413 1.00 0.00 C ATOM 548 O LYS A 40 -4.750 -1.702 -7.076 1.00 0.00 O ATOM 549 CB LYS A 40 -1.780 -1.548 -6.799 1.00 0.00 C ATOM 550 CG LYS A 40 -0.375 -1.066 -7.168 1.00 0.00 C ATOM 551 CD LYS A 40 0.682 -2.088 -6.748 1.00 0.00 C ATOM 552 CE LYS A 40 0.537 -2.453 -5.270 1.00 0.00 C ATOM 553 NZ LYS A 40 1.830 -2.919 -4.721 1.00 0.00 N ATOM 0 H LYS A 40 -3.154 -0.679 -4.730 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.311 0.410 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.757 -2.036 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.114 -2.293 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.315 -0.896 -8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.175 -0.110 -6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.587 -2.986 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.677 -1.682 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.188 -1.587 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.216 -3.233 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.804 -2.871 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.000 -3.901 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.597 -2.312 -5.076 1.00 0.00 H new ATOM 563 N PRO A 41 -4.533 0.190 -8.353 1.00 0.00 N ATOM 564 CA PRO A 41 -5.796 0.011 -9.048 1.00 0.00 C ATOM 565 C PRO A 41 -5.694 -1.099 -10.096 1.00 0.00 C ATOM 566 O PRO A 41 -5.985 -0.878 -11.271 1.00 0.00 O ATOM 567 CB PRO A 41 -6.108 1.372 -9.652 1.00 0.00 C ATOM 568 CG PRO A 41 -4.793 2.132 -9.668 1.00 0.00 C ATOM 569 CD PRO A 41 -3.812 1.386 -8.777 1.00 0.00 C ATOM 0 HA PRO A 41 -6.599 -0.310 -8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.512 1.269 -10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.857 1.899 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.406 2.204 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.937 3.151 -9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.902 1.129 -9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.513 1.992 -7.922 1.00 0.00 H new ATOM 574 N THR A 42 -5.278 -2.268 -9.633 1.00 0.00 N ATOM 575 CA THR A 42 -5.133 -3.414 -10.516 1.00 0.00 C ATOM 576 C THR A 42 -6.235 -3.411 -11.577 1.00 0.00 C ATOM 577 O THR A 42 -5.996 -3.781 -12.727 1.00 0.00 O ATOM 578 CB THR A 42 -5.124 -4.677 -9.653 1.00 0.00 C ATOM 579 OG1 THR A 42 -3.895 -4.598 -8.936 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.987 -5.953 -10.487 1.00 0.00 C ATOM 0 H THR A 42 -5.037 -2.447 -8.658 1.00 0.00 H new ATOM 0 HA THR A 42 -4.194 -3.373 -11.067 1.00 0.00 H new ATOM 0 HB THR A 42 -6.041 -4.723 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.808 -5.378 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.986 -6.821 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.825 -6.026 -11.181 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.053 -5.923 -11.048 1.00 0.00 H new ATOM 588 N GLY A 43 -7.419 -2.991 -11.156 1.00 0.00 N ATOM 589 CA GLY A 43 -8.558 -2.935 -12.056 1.00 0.00 C ATOM 590 C GLY A 43 -8.124 -2.535 -13.467 1.00 0.00 C ATOM 591 O GLY A 43 -7.103 -1.869 -13.640 1.00 0.00 O ATOM 0 H GLY A 43 -7.614 -2.686 -10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.051 -3.907 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.288 -2.219 -11.680 1.00 0.00 H new ATOM 595 N TYR A 44 -8.918 -2.957 -14.439 1.00 0.00 N ATOM 596 CA TYR A 44 -8.629 -2.650 -15.830 1.00 0.00 C ATOM 597 C TYR A 44 -9.917 -2.406 -16.618 1.00 0.00 C ATOM 598 O TYR A 44 -10.992 -2.278 -16.033 1.00 0.00 O ATOM 599 CB TYR A 44 -7.923 -3.883 -16.395 1.00 0.00 C ATOM 600 CG TYR A 44 -6.925 -3.573 -17.513 1.00 0.00 C ATOM 601 CD1 TYR A 44 -5.753 -2.905 -17.224 1.00 0.00 C ATOM 602 CD2 TYR A 44 -7.198 -3.961 -18.809 1.00 0.00 C ATOM 603 CE1 TYR A 44 -4.813 -2.611 -18.276 1.00 0.00 C ATOM 604 CE2 TYR A 44 -6.258 -3.667 -19.860 1.00 0.00 C ATOM 605 CZ TYR A 44 -5.113 -3.007 -19.542 1.00 0.00 C ATOM 606 OH TYR A 44 -4.226 -2.731 -20.534 1.00 0.00 O ATOM 0 H TYR A 44 -9.762 -3.510 -14.291 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.021 -1.749 -15.906 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.399 -4.392 -15.586 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.674 -4.576 -16.774 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.540 -2.602 -16.209 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.115 -4.484 -19.035 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.892 -2.088 -18.064 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.459 -3.964 -20.879 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.570 -3.073 -21.385 1.00 0.00 H new ATOM 615 N GLY A 45 -9.767 -2.351 -17.932 1.00 0.00 N ATOM 616 CA GLY A 45 -10.905 -2.127 -18.807 1.00 0.00 C ATOM 617 C GLY A 45 -12.144 -2.863 -18.295 1.00 0.00 C ATOM 618 O GLY A 45 -12.973 -2.280 -17.597 1.00 0.00 O ATOM 0 H GLY A 45 -8.874 -2.458 -18.413 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.113 -1.059 -18.872 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.666 -2.467 -19.815 1.00 0.00 H new ATOM 622 N SER A 46 -12.233 -4.133 -18.660 1.00 0.00 N ATOM 623 CA SER A 46 -13.357 -4.955 -18.247 1.00 0.00 C ATOM 624 C SER A 46 -13.039 -5.646 -16.919 1.00 0.00 C ATOM 625 O SER A 46 -12.878 -6.865 -16.873 1.00 0.00 O ATOM 626 CB SER A 46 -13.703 -5.993 -19.316 1.00 0.00 C ATOM 627 OG SER A 46 -14.973 -6.597 -19.082 1.00 0.00 O ATOM 0 H SER A 46 -11.544 -4.614 -19.238 1.00 0.00 H new ATOM 0 HA SER A 46 -14.224 -4.308 -18.115 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.703 -5.517 -20.297 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.933 -6.764 -19.336 1.00 0.00 H new ATOM 0 HG SER A 46 -15.158 -7.253 -19.787 1.00 0.00 H new ATOM 632 N SER A 47 -12.957 -4.839 -15.873 1.00 0.00 N ATOM 633 CA SER A 47 -12.660 -5.358 -14.548 1.00 0.00 C ATOM 634 C SER A 47 -13.005 -4.310 -13.487 1.00 0.00 C ATOM 635 O SER A 47 -12.380 -3.252 -13.428 1.00 0.00 O ATOM 636 CB SER A 47 -11.190 -5.767 -14.432 1.00 0.00 C ATOM 637 OG SER A 47 -10.976 -7.111 -14.854 1.00 0.00 O ATOM 0 H SER A 47 -13.091 -3.829 -15.915 1.00 0.00 H new ATOM 0 HA SER A 47 -13.269 -6.247 -14.384 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.578 -5.096 -15.035 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.863 -5.655 -13.398 1.00 0.00 H new ATOM 0 HG SER A 47 -11.586 -7.323 -15.591 1.00 0.00 H new ATOM 642 N SER A 48 -13.997 -4.642 -12.675 1.00 0.00 N ATOM 643 CA SER A 48 -14.432 -3.743 -11.618 1.00 0.00 C ATOM 644 C SER A 48 -14.983 -4.549 -10.439 1.00 0.00 C ATOM 645 O SER A 48 -16.195 -4.698 -10.298 1.00 0.00 O ATOM 646 CB SER A 48 -15.488 -2.761 -12.130 1.00 0.00 C ATOM 647 OG SER A 48 -16.163 -2.100 -11.065 1.00 0.00 O ATOM 0 H SER A 48 -14.513 -5.521 -12.727 1.00 0.00 H new ATOM 0 HA SER A 48 -13.570 -3.166 -11.284 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.013 -2.020 -12.773 1.00 0.00 H new ATOM 0 HB3 SER A 48 -16.214 -3.296 -12.743 1.00 0.00 H new ATOM 0 HG SER A 48 -16.828 -1.481 -11.433 1.00 0.00 H new ATOM 652 N ARG A 49 -14.065 -5.046 -9.623 1.00 0.00 N ATOM 653 CA ARG A 49 -14.444 -5.833 -8.462 1.00 0.00 C ATOM 654 C ARG A 49 -13.268 -5.942 -7.489 1.00 0.00 C ATOM 655 O ARG A 49 -12.498 -6.899 -7.546 1.00 0.00 O ATOM 656 CB ARG A 49 -14.892 -7.238 -8.870 1.00 0.00 C ATOM 657 CG ARG A 49 -16.413 -7.372 -8.792 1.00 0.00 C ATOM 658 CD ARG A 49 -16.883 -8.680 -9.434 1.00 0.00 C ATOM 659 NE ARG A 49 -16.502 -8.707 -10.864 1.00 0.00 N ATOM 660 CZ ARG A 49 -15.334 -9.179 -11.322 1.00 0.00 C ATOM 661 NH1 ARG A 49 -14.425 -9.664 -10.464 1.00 0.00 N ATOM 662 NH2 ARG A 49 -15.074 -9.164 -12.636 1.00 0.00 N ATOM 0 H ARG A 49 -13.060 -4.919 -9.743 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.277 -5.326 -7.976 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.556 -7.450 -9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.424 -7.976 -8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.731 -7.339 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -16.882 -6.527 -9.295 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -16.439 -9.530 -8.915 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.964 -8.775 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.170 -8.344 -11.544 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.622 -9.674 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.536 -10.023 -10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.765 -8.793 -13.288 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.185 -9.523 -12.984 1.00 0.00 H new ATOM 673 N ARG A 50 -13.168 -4.948 -6.618 1.00 0.00 N ATOM 674 CA ARG A 50 -12.100 -4.920 -5.634 1.00 0.00 C ATOM 675 C ARG A 50 -12.385 -3.859 -4.570 1.00 0.00 C ATOM 676 O ARG A 50 -13.204 -2.965 -4.783 1.00 0.00 O ATOM 677 CB ARG A 50 -10.751 -4.623 -6.294 1.00 0.00 C ATOM 678 CG ARG A 50 -10.860 -3.437 -7.253 1.00 0.00 C ATOM 679 CD ARG A 50 -10.115 -3.717 -8.560 1.00 0.00 C ATOM 680 NE ARG A 50 -10.554 -5.012 -9.124 1.00 0.00 N ATOM 681 CZ ARG A 50 -9.818 -5.755 -9.963 1.00 0.00 C ATOM 682 NH1 ARG A 50 -8.603 -5.334 -10.339 1.00 0.00 N ATOM 683 NH2 ARG A 50 -10.297 -6.918 -10.425 1.00 0.00 N ATOM 0 H ARG A 50 -13.809 -4.156 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.054 -5.904 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.006 -4.408 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.406 -5.503 -6.836 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.909 -3.232 -7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.450 -2.544 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.304 -2.916 -9.275 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.040 -3.735 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.474 -5.362 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.238 -4.449 -9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.042 -5.899 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.222 -7.238 -10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -9.737 -7.483 -11.063 1.00 0.00 H new ATOM 694 N ALA A 51 -11.694 -3.990 -3.448 1.00 0.00 N ATOM 695 CA ALA A 51 -11.863 -3.053 -2.351 1.00 0.00 C ATOM 696 C ALA A 51 -10.670 -2.096 -2.315 1.00 0.00 C ATOM 697 O ALA A 51 -10.716 -1.066 -1.643 1.00 0.00 O ATOM 698 CB ALA A 51 -12.029 -3.825 -1.040 1.00 0.00 C ATOM 0 H ALA A 51 -11.015 -4.731 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.763 -2.455 -2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.156 -3.122 -0.217 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.906 -4.469 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.143 -4.435 -0.862 1.00 0.00 H new ATOM 704 N CYS A 52 -9.630 -2.469 -3.047 1.00 0.00 N ATOM 705 CA CYS A 52 -8.427 -1.656 -3.107 1.00 0.00 C ATOM 706 C CYS A 52 -7.752 -1.693 -1.735 1.00 0.00 C ATOM 707 O CYS A 52 -7.238 -0.680 -1.264 1.00 0.00 O ATOM 708 CB CYS A 52 -8.734 -0.225 -3.554 1.00 0.00 C ATOM 709 SG CYS A 52 -8.508 -0.073 -5.363 1.00 0.00 S ATOM 0 H CYS A 52 -9.596 -3.323 -3.603 1.00 0.00 H new ATOM 0 HA CYS A 52 -7.747 -2.063 -3.855 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.757 0.038 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -8.078 0.475 -3.037 1.00 0.00 H new ATOM 0 HG CYS A 52 -8.772 1.145 -5.733 1.00 0.00 H new ATOM 714 N GLN A 53 -7.775 -2.873 -1.131 1.00 0.00 N ATOM 715 CA GLN A 53 -7.172 -3.055 0.177 1.00 0.00 C ATOM 716 C GLN A 53 -5.945 -2.155 0.327 1.00 0.00 C ATOM 717 O GLN A 53 -5.696 -1.610 1.401 1.00 0.00 O ATOM 718 CB GLN A 53 -6.808 -4.523 0.414 1.00 0.00 C ATOM 719 CG GLN A 53 -5.303 -4.746 0.258 1.00 0.00 C ATOM 720 CD GLN A 53 -4.963 -6.238 0.293 1.00 0.00 C ATOM 721 OE1 GLN A 53 -4.511 -6.820 -0.679 1.00 0.00 O ATOM 722 NE2 GLN A 53 -5.207 -6.821 1.463 1.00 0.00 N ATOM 0 H GLN A 53 -8.202 -3.712 -1.524 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.902 -2.769 0.934 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.122 -4.822 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.348 -5.154 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.963 -4.314 -0.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.770 -4.229 1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.586 -6.274 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.015 -7.815 1.587 1.00 0.00 H new ATOM 729 N THR A 54 -5.208 -2.027 -0.767 1.00 0.00 N ATOM 730 CA THR A 54 -4.011 -1.203 -0.772 1.00 0.00 C ATOM 731 C THR A 54 -4.375 0.266 -0.545 1.00 0.00 C ATOM 732 O THR A 54 -3.633 1.162 -0.945 1.00 0.00 O ATOM 733 CB THR A 54 -3.272 -1.449 -2.088 1.00 0.00 C ATOM 734 OG1 THR A 54 -3.268 -2.868 -2.224 1.00 0.00 O ATOM 735 CG2 THR A 54 -1.789 -1.079 -2.006 1.00 0.00 C ATOM 0 H THR A 54 -5.417 -2.480 -1.656 1.00 0.00 H new ATOM 0 HA THR A 54 -3.343 -1.471 0.047 1.00 0.00 H new ATOM 0 HB THR A 54 -3.746 -0.873 -2.883 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.809 -3.116 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.312 -1.273 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.691 -0.022 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.307 -1.678 -1.234 1.00 0.00 H new ATOM 743 N GLY A 55 -5.518 0.468 0.095 1.00 0.00 N ATOM 744 CA GLY A 55 -5.989 1.812 0.380 1.00 0.00 C ATOM 745 C GLY A 55 -5.322 2.372 1.636 1.00 0.00 C ATOM 746 O GLY A 55 -5.993 2.929 2.505 1.00 0.00 O ATOM 0 H GLY A 55 -6.131 -0.277 0.424 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.778 2.463 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.071 1.801 0.512 1.00 0.00 H new ATOM 750 N ILE A 56 -4.008 2.207 1.695 1.00 0.00 N ATOM 751 CA ILE A 56 -3.243 2.690 2.831 1.00 0.00 C ATOM 752 C ILE A 56 -3.650 4.133 3.140 1.00 0.00 C ATOM 753 O ILE A 56 -3.254 4.688 4.162 1.00 0.00 O ATOM 754 CB ILE A 56 -1.744 2.513 2.581 1.00 0.00 C ATOM 755 CG1 ILE A 56 -1.120 1.581 3.622 1.00 0.00 C ATOM 756 CG2 ILE A 56 -1.033 3.868 2.527 1.00 0.00 C ATOM 757 CD1 ILE A 56 -2.063 0.423 3.954 1.00 0.00 C ATOM 0 H ILE A 56 -3.454 1.745 0.974 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.467 2.099 3.719 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.614 2.041 1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.175 1.189 3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.893 2.142 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.031 3.714 2.348 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.453 4.468 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.170 4.389 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.596 -0.225 4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.997 0.818 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.268 -0.150 3.050 1.00 0.00 H new ATOM 768 N VAL A 57 -4.435 4.697 2.234 1.00 0.00 N ATOM 769 CA VAL A 57 -4.900 6.065 2.397 1.00 0.00 C ATOM 770 C VAL A 57 -6.401 6.057 2.697 1.00 0.00 C ATOM 771 O VAL A 57 -6.846 6.662 3.670 1.00 0.00 O ATOM 772 CB VAL A 57 -4.542 6.889 1.158 1.00 0.00 C ATOM 773 CG1 VAL A 57 -3.526 7.980 1.501 1.00 0.00 C ATOM 774 CG2 VAL A 57 -4.024 5.992 0.032 1.00 0.00 C ATOM 0 H VAL A 57 -4.761 4.233 1.386 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.403 6.540 3.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.451 7.376 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.288 8.551 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.948 8.646 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.617 7.521 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.777 6.603 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.132 5.463 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.793 5.269 -0.240 1.00 0.00 H new ATOM 784 N ASP A 58 -7.139 5.364 1.842 1.00 0.00 N ATOM 785 CA ASP A 58 -8.579 5.269 2.003 1.00 0.00 C ATOM 786 C ASP A 58 -8.903 4.180 3.027 1.00 0.00 C ATOM 787 O ASP A 58 -9.925 4.247 3.707 1.00 0.00 O ATOM 788 CB ASP A 58 -9.258 4.895 0.684 1.00 0.00 C ATOM 789 CG ASP A 58 -10.649 4.275 0.825 1.00 0.00 C ATOM 790 OD1 ASP A 58 -11.565 5.023 1.229 1.00 0.00 O ATOM 791 OD2 ASP A 58 -10.766 3.067 0.527 1.00 0.00 O ATOM 0 H ASP A 58 -6.766 4.863 1.036 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.945 6.241 2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.337 5.790 0.067 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.617 4.194 0.149 1.00 0.00 H new ATOM 795 N GLU A 59 -8.013 3.201 3.104 1.00 0.00 N ATOM 796 CA GLU A 59 -8.191 2.098 4.033 1.00 0.00 C ATOM 797 C GLU A 59 -7.581 2.446 5.392 1.00 0.00 C ATOM 798 O GLU A 59 -7.922 1.837 6.405 1.00 0.00 O ATOM 799 CB GLU A 59 -7.589 0.808 3.475 1.00 0.00 C ATOM 800 CG GLU A 59 -8.330 0.357 2.214 1.00 0.00 C ATOM 801 CD GLU A 59 -9.571 -0.464 2.572 1.00 0.00 C ATOM 802 OE1 GLU A 59 -10.591 0.170 2.918 1.00 0.00 O ATOM 803 OE2 GLU A 59 -9.470 -1.707 2.492 1.00 0.00 O ATOM 0 H GLU A 59 -7.166 3.149 2.538 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.260 1.931 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.535 0.964 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.638 0.023 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.623 1.229 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.664 -0.238 1.589 1.00 0.00 H new ATOM 808 N CYS A 60 -6.687 3.425 5.371 1.00 0.00 N ATOM 809 CA CYS A 60 -6.025 3.860 6.589 1.00 0.00 C ATOM 810 C CYS A 60 -6.996 4.745 7.373 1.00 0.00 C ATOM 811 O CYS A 60 -7.098 4.631 8.594 1.00 0.00 O ATOM 812 CB CYS A 60 -4.709 4.582 6.290 1.00 0.00 C ATOM 813 SG CYS A 60 -3.204 3.576 6.562 1.00 0.00 S ATOM 0 H CYS A 60 -6.406 3.929 4.530 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.758 2.992 7.192 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.722 4.918 5.253 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.650 5.474 6.913 1.00 0.00 H new ATOM 817 N CYS A 61 -7.684 5.607 6.640 1.00 0.00 N ATOM 818 CA CYS A 61 -8.643 6.511 7.251 1.00 0.00 C ATOM 819 C CYS A 61 -9.851 5.692 7.711 1.00 0.00 C ATOM 820 O CYS A 61 -10.444 5.980 8.749 1.00 0.00 O ATOM 821 CB CYS A 61 -9.048 7.637 6.297 1.00 0.00 C ATOM 822 SG CYS A 61 -8.998 9.315 7.026 1.00 0.00 S ATOM 0 H CYS A 61 -7.596 5.699 5.628 1.00 0.00 H new ATOM 0 HA CYS A 61 -8.187 6.999 8.112 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.389 7.613 5.429 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.058 7.443 5.936 1.00 0.00 H new ATOM 826 N PHE A 62 -10.180 4.685 6.914 1.00 0.00 N ATOM 827 CA PHE A 62 -11.307 3.821 7.226 1.00 0.00 C ATOM 828 C PHE A 62 -10.874 2.658 8.120 1.00 0.00 C ATOM 829 O PHE A 62 -11.553 2.331 9.092 1.00 0.00 O ATOM 830 CB PHE A 62 -11.825 3.265 5.898 1.00 0.00 C ATOM 831 CG PHE A 62 -13.092 2.418 6.031 1.00 0.00 C ATOM 832 CD1 PHE A 62 -14.083 2.805 6.878 1.00 0.00 C ATOM 833 CD2 PHE A 62 -13.227 1.277 5.302 1.00 0.00 C ATOM 834 CE1 PHE A 62 -15.259 2.019 7.000 1.00 0.00 C ATOM 835 CE2 PHE A 62 -14.403 0.492 5.425 1.00 0.00 C ATOM 836 CZ PHE A 62 -15.395 0.879 6.271 1.00 0.00 C ATOM 0 H PHE A 62 -9.686 4.448 6.053 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.074 4.385 7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.025 4.096 5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.043 2.661 5.439 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.975 3.710 7.458 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -12.440 0.969 4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -16.046 2.327 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -14.510 -0.414 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 62 -16.290 0.282 6.364 1.00 0.00 H new ATOM 845 N ARG A 63 -9.746 2.064 7.758 1.00 0.00 N ATOM 846 CA ARG A 63 -9.214 0.943 8.515 1.00 0.00 C ATOM 847 C ARG A 63 -7.943 1.358 9.257 1.00 0.00 C ATOM 848 O ARG A 63 -6.896 1.554 8.641 1.00 0.00 O ATOM 849 CB ARG A 63 -8.898 -0.240 7.598 1.00 0.00 C ATOM 850 CG ARG A 63 -9.178 -1.570 8.301 1.00 0.00 C ATOM 851 CD ARG A 63 -10.252 -2.368 7.560 1.00 0.00 C ATOM 852 NE ARG A 63 -11.186 -2.983 8.529 1.00 0.00 N ATOM 853 CZ ARG A 63 -12.253 -3.717 8.183 1.00 0.00 C ATOM 854 NH1 ARG A 63 -12.527 -3.930 6.889 1.00 0.00 N ATOM 855 NH2 ARG A 63 -13.045 -4.237 9.130 1.00 0.00 N ATOM 0 H ARG A 63 -9.186 2.338 6.951 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.974 0.638 9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.498 -0.171 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.852 -0.199 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.260 -2.155 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.501 -1.383 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.799 -1.714 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.786 -3.142 6.951 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.007 -2.839 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.924 -3.534 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.339 -4.488 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.836 -4.075 10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.857 -4.795 8.866 1.00 0.00 H new ATOM 866 N SER A 64 -8.074 1.481 10.570 1.00 0.00 N ATOM 867 CA SER A 64 -6.950 1.870 11.402 1.00 0.00 C ATOM 868 C SER A 64 -5.657 1.835 10.584 1.00 0.00 C ATOM 869 O SER A 64 -5.251 0.778 10.103 1.00 0.00 O ATOM 870 CB SER A 64 -6.827 0.959 12.625 1.00 0.00 C ATOM 871 OG SER A 64 -8.083 0.758 13.267 1.00 0.00 O ATOM 0 H SER A 64 -8.943 1.318 11.078 1.00 0.00 H new ATOM 0 HA SER A 64 -7.123 2.886 11.756 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.417 -0.004 12.320 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.123 1.396 13.333 1.00 0.00 H new ATOM 0 HG SER A 64 -7.964 0.170 14.042 1.00 0.00 H new ATOM 876 N CYS A 65 -5.046 3.004 10.451 1.00 0.00 N ATOM 877 CA CYS A 65 -3.808 3.120 9.699 1.00 0.00 C ATOM 878 C CYS A 65 -2.670 2.568 10.560 1.00 0.00 C ATOM 879 O CYS A 65 -2.070 3.299 11.345 1.00 0.00 O ATOM 880 CB CYS A 65 -3.545 4.562 9.262 1.00 0.00 C ATOM 881 SG CYS A 65 -2.217 4.758 8.019 1.00 0.00 S ATOM 0 H CYS A 65 -5.385 3.879 10.851 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.882 2.539 8.780 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.467 4.978 8.856 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -3.290 5.152 10.142 1.00 0.00 H new ATOM 885 N ASP A 66 -2.408 1.281 10.383 1.00 0.00 N ATOM 886 CA ASP A 66 -1.352 0.622 11.133 1.00 0.00 C ATOM 887 C ASP A 66 -0.080 0.577 10.284 1.00 0.00 C ATOM 888 O ASP A 66 0.054 -0.273 9.404 1.00 0.00 O ATOM 889 CB ASP A 66 -1.739 -0.817 11.481 1.00 0.00 C ATOM 890 CG ASP A 66 -2.459 -0.986 12.821 1.00 0.00 C ATOM 891 OD1 ASP A 66 -1.743 -1.165 13.831 1.00 0.00 O ATOM 892 OD2 ASP A 66 -3.707 -0.933 12.806 1.00 0.00 O ATOM 0 H ASP A 66 -2.909 0.677 9.731 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.191 1.185 12.052 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.379 -1.207 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.836 -1.428 11.491 1.00 0.00 H new ATOM 896 N LEU A 67 0.821 1.502 10.576 1.00 0.00 N ATOM 897 CA LEU A 67 2.078 1.579 9.850 1.00 0.00 C ATOM 898 C LEU A 67 2.463 0.183 9.357 1.00 0.00 C ATOM 899 O LEU A 67 3.016 0.035 8.268 1.00 0.00 O ATOM 900 CB LEU A 67 3.154 2.246 10.709 1.00 0.00 C ATOM 901 CG LEU A 67 4.581 2.184 10.163 1.00 0.00 C ATOM 902 CD1 LEU A 67 5.028 3.550 9.638 1.00 0.00 C ATOM 903 CD2 LEU A 67 5.547 1.632 11.215 1.00 0.00 C ATOM 0 H LEU A 67 0.706 2.205 11.306 1.00 0.00 H new ATOM 0 HA LEU A 67 1.970 2.211 8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.884 3.293 10.846 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.143 1.782 11.695 1.00 0.00 H new ATOM 0 HG LEU A 67 4.593 1.494 9.319 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.046 3.477 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.361 3.868 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.996 4.279 10.447 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.555 1.598 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.537 2.278 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.238 0.626 11.501 1.00 0.00 H new ATOM 914 N ARG A 68 2.155 -0.807 10.182 1.00 0.00 N ATOM 915 CA ARG A 68 2.462 -2.186 9.844 1.00 0.00 C ATOM 916 C ARG A 68 2.227 -2.432 8.353 1.00 0.00 C ATOM 917 O ARG A 68 2.865 -3.297 7.755 1.00 0.00 O ATOM 918 CB ARG A 68 1.601 -3.157 10.655 1.00 0.00 C ATOM 919 CG ARG A 68 2.162 -4.578 10.584 1.00 0.00 C ATOM 920 CD ARG A 68 2.204 -5.222 11.971 1.00 0.00 C ATOM 921 NE ARG A 68 3.550 -5.058 12.565 1.00 0.00 N ATOM 922 CZ ARG A 68 4.025 -5.808 13.568 1.00 0.00 C ATOM 923 NH1 ARG A 68 3.267 -6.779 14.096 1.00 0.00 N ATOM 924 NH2 ARG A 68 5.259 -5.587 14.044 1.00 0.00 N ATOM 0 H ARG A 68 1.696 -0.681 11.084 1.00 0.00 H new ATOM 0 HA ARG A 68 3.511 -2.360 10.084 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.559 -2.830 11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.579 -3.146 10.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.547 -5.182 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.166 -4.556 10.159 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.454 -4.764 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.957 -6.281 11.897 1.00 0.00 H new ATOM 0 HE ARG A 68 4.154 -4.328 12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.328 -6.947 13.734 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.629 -7.350 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.836 -4.848 13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.621 -6.158 14.808 1.00 0.00 H new ATOM 935 N ARG A 69 1.310 -1.656 7.794 1.00 0.00 N ATOM 936 CA ARG A 69 0.983 -1.778 6.384 1.00 0.00 C ATOM 937 C ARG A 69 2.075 -1.136 5.528 1.00 0.00 C ATOM 938 O ARG A 69 2.597 -1.762 4.608 1.00 0.00 O ATOM 939 CB ARG A 69 -0.359 -1.114 6.070 1.00 0.00 C ATOM 940 CG ARG A 69 -1.393 -2.148 5.622 1.00 0.00 C ATOM 941 CD ARG A 69 -2.816 -1.649 5.877 1.00 0.00 C ATOM 942 NE ARG A 69 -3.602 -2.691 6.573 1.00 0.00 N ATOM 943 CZ ARG A 69 -4.686 -2.442 7.320 1.00 0.00 C ATOM 944 NH1 ARG A 69 -5.119 -1.184 7.474 1.00 0.00 N ATOM 945 NH2 ARG A 69 -5.336 -3.452 7.915 1.00 0.00 N ATOM 0 H ARG A 69 0.783 -0.940 8.293 1.00 0.00 H new ATOM 0 HA ARG A 69 0.913 -2.841 6.151 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.724 -0.589 6.953 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.225 -0.367 5.288 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.263 -2.360 4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.231 -3.084 6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.789 -0.740 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.294 -1.392 4.932 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.300 -3.661 6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.623 -0.415 7.023 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.944 -0.995 8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.005 -4.410 7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.161 -3.263 8.484 1.00 0.00 H new ATOM 956 N LEU A 70 2.390 0.108 5.862 1.00 0.00 N ATOM 957 CA LEU A 70 3.412 0.843 5.136 1.00 0.00 C ATOM 958 C LEU A 70 4.569 -0.099 4.798 1.00 0.00 C ATOM 959 O LEU A 70 5.124 -0.039 3.702 1.00 0.00 O ATOM 960 CB LEU A 70 3.839 2.085 5.920 1.00 0.00 C ATOM 961 CG LEU A 70 5.330 2.198 6.237 1.00 0.00 C ATOM 962 CD1 LEU A 70 5.736 1.205 7.328 1.00 0.00 C ATOM 963 CD2 LEU A 70 6.174 2.035 4.971 1.00 0.00 C ATOM 0 H LEU A 70 1.955 0.625 6.626 1.00 0.00 H new ATOM 0 HA LEU A 70 3.015 1.213 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.540 2.968 5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.286 2.106 6.859 1.00 0.00 H new ATOM 0 HG LEU A 70 5.521 3.198 6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.802 1.306 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.169 1.411 8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.527 0.189 6.992 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.231 2.120 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.984 1.056 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.909 2.813 4.255 1.00 0.00 H new ATOM 974 N GLU A 71 4.898 -0.948 5.760 1.00 0.00 N ATOM 975 CA GLU A 71 5.979 -1.902 5.580 1.00 0.00 C ATOM 976 C GLU A 71 5.499 -3.099 4.756 1.00 0.00 C ATOM 977 O GLU A 71 6.264 -3.671 3.982 1.00 0.00 O ATOM 978 CB GLU A 71 6.543 -2.355 6.929 1.00 0.00 C ATOM 979 CG GLU A 71 5.470 -3.062 7.761 1.00 0.00 C ATOM 980 CD GLU A 71 6.099 -3.841 8.918 1.00 0.00 C ATOM 981 OE1 GLU A 71 7.064 -4.587 8.640 1.00 0.00 O ATOM 982 OE2 GLU A 71 5.602 -3.673 10.052 1.00 0.00 O ATOM 0 H GLU A 71 4.435 -0.995 6.667 1.00 0.00 H new ATOM 0 HA GLU A 71 6.784 -1.410 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.386 -3.028 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.924 -1.493 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.766 -2.328 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.902 -3.742 7.126 1.00 0.00 H new ATOM 987 N MET A 72 4.235 -3.442 4.952 1.00 0.00 N ATOM 988 CA MET A 72 3.644 -4.560 4.236 1.00 0.00 C ATOM 989 C MET A 72 3.325 -4.179 2.790 1.00 0.00 C ATOM 990 O MET A 72 3.532 -4.974 1.875 1.00 0.00 O ATOM 991 CB MET A 72 2.359 -4.997 4.944 1.00 0.00 C ATOM 992 CG MET A 72 2.597 -6.252 5.787 1.00 0.00 C ATOM 993 SD MET A 72 3.166 -7.587 4.748 1.00 0.00 S ATOM 994 CE MET A 72 2.544 -8.983 5.670 1.00 0.00 C ATOM 0 H MET A 72 3.603 -2.966 5.596 1.00 0.00 H new ATOM 0 HA MET A 72 4.362 -5.380 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.998 -4.190 5.581 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.581 -5.193 4.206 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.334 -6.045 6.563 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.675 -6.541 6.292 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.813 -9.907 5.157 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.980 -8.983 6.669 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.459 -8.914 5.747 1.00 0.00 H new ATOM 1002 N TYR A 73 2.827 -2.962 2.628 1.00 0.00 N ATOM 1003 CA TYR A 73 2.478 -2.465 1.308 1.00 0.00 C ATOM 1004 C TYR A 73 3.724 -2.005 0.548 1.00 0.00 C ATOM 1005 O TYR A 73 3.694 -1.868 -0.674 1.00 0.00 O ATOM 1006 CB TYR A 73 1.562 -1.261 1.538 1.00 0.00 C ATOM 1007 CG TYR A 73 0.095 -1.630 1.765 1.00 0.00 C ATOM 1008 CD1 TYR A 73 -0.239 -2.891 2.216 1.00 0.00 C ATOM 1009 CD2 TYR A 73 -0.896 -0.702 1.515 1.00 0.00 C ATOM 1010 CE1 TYR A 73 -1.620 -3.238 2.429 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -2.277 -1.048 1.728 1.00 0.00 C ATOM 1012 CZ TYR A 73 -2.571 -2.299 2.174 1.00 0.00 C ATOM 1013 OH TYR A 73 -3.876 -2.627 2.374 1.00 0.00 O ATOM 0 H TYR A 73 2.657 -2.305 3.390 1.00 0.00 H new ATOM 0 HA TYR A 73 2.000 -3.247 0.718 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.923 -0.702 2.401 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.630 -0.596 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.536 -3.618 2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.635 0.284 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.895 -4.221 2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.062 -0.331 1.538 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.446 -1.873 2.115 1.00 0.00 H new ATOM 1022 N CYS A 74 4.789 -1.780 1.303 1.00 0.00 N ATOM 1023 CA CYS A 74 6.042 -1.338 0.717 1.00 0.00 C ATOM 1024 C CYS A 74 6.317 -2.189 -0.526 1.00 0.00 C ATOM 1025 O CYS A 74 7.412 -2.728 -0.683 1.00 0.00 O ATOM 1026 CB CYS A 74 7.193 -1.408 1.721 1.00 0.00 C ATOM 1027 SG CYS A 74 8.003 0.195 2.073 1.00 0.00 S ATOM 0 H CYS A 74 4.810 -1.896 2.316 1.00 0.00 H new ATOM 0 HA CYS A 74 5.962 -0.290 0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.816 -1.822 2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.943 -2.103 1.344 1.00 0.00 H new ATOM 1031 N ALA A 75 5.305 -2.282 -1.375 1.00 0.00 N ATOM 1032 CA ALA A 75 5.424 -3.058 -2.599 1.00 0.00 C ATOM 1033 C ALA A 75 6.379 -2.346 -3.558 1.00 0.00 C ATOM 1034 O ALA A 75 6.779 -1.208 -3.312 1.00 0.00 O ATOM 1035 CB ALA A 75 4.036 -3.267 -3.208 1.00 0.00 C ATOM 0 H ALA A 75 4.399 -1.833 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 75 5.840 -4.043 -2.390 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.125 -3.849 -4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.404 -3.802 -2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.588 -2.299 -3.434 1.00 0.00 H new ATOM 1041 N PRO A 76 6.729 -3.064 -4.659 1.00 0.00 N ATOM 1042 CA PRO A 76 7.631 -2.513 -5.657 1.00 0.00 C ATOM 1043 C PRO A 76 6.922 -1.468 -6.520 1.00 0.00 C ATOM 1044 O PRO A 76 5.933 -1.775 -7.184 1.00 0.00 O ATOM 1045 CB PRO A 76 8.115 -3.712 -6.454 1.00 0.00 C ATOM 1046 CG PRO A 76 7.118 -4.826 -6.179 1.00 0.00 C ATOM 1047 CD PRO A 76 6.276 -4.413 -4.982 1.00 0.00 C ATOM 0 HA PRO A 76 8.472 -1.980 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.159 -3.481 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.120 -4.004 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.485 -4.996 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.638 -5.762 -5.975 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.213 -4.427 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.422 -5.092 -4.142 1.00 0.00 H new ATOM 1052 N LEU A 77 7.453 -0.255 -6.481 1.00 0.00 N ATOM 1053 CA LEU A 77 6.883 0.837 -7.252 1.00 0.00 C ATOM 1054 C LEU A 77 7.857 2.017 -7.254 1.00 0.00 C ATOM 1055 O LEU A 77 8.197 2.548 -6.198 1.00 0.00 O ATOM 1056 CB LEU A 77 5.490 1.191 -6.729 1.00 0.00 C ATOM 1057 CG LEU A 77 4.401 1.374 -7.789 1.00 0.00 C ATOM 1058 CD1 LEU A 77 3.433 0.189 -7.792 1.00 0.00 C ATOM 1059 CD2 LEU A 77 3.674 2.707 -7.604 1.00 0.00 C ATOM 0 H LEU A 77 8.272 -0.004 -5.927 1.00 0.00 H new ATOM 0 HA LEU A 77 6.742 0.538 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.172 0.407 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.564 2.112 -6.150 1.00 0.00 H new ATOM 0 HG LEU A 77 4.879 1.401 -8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.670 0.345 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.981 -0.728 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.958 0.105 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.906 2.812 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.210 2.735 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.388 3.526 -7.692 1.00 0.00 H new ATOM 1070 N LYS A 78 8.279 2.392 -8.453 1.00 0.00 N ATOM 1071 CA LYS A 78 9.207 3.499 -8.607 1.00 0.00 C ATOM 1072 C LYS A 78 8.639 4.736 -7.908 1.00 0.00 C ATOM 1073 O LYS A 78 7.515 4.711 -7.410 1.00 0.00 O ATOM 1074 CB LYS A 78 9.534 3.723 -10.085 1.00 0.00 C ATOM 1075 CG LYS A 78 8.790 2.719 -10.969 1.00 0.00 C ATOM 1076 CD LYS A 78 9.117 2.943 -12.447 1.00 0.00 C ATOM 1077 CE LYS A 78 10.202 1.973 -12.921 1.00 0.00 C ATOM 1078 NZ LYS A 78 11.158 2.661 -13.816 1.00 0.00 N ATOM 0 H LYS A 78 7.995 1.949 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 78 10.158 3.269 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.260 4.738 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.608 3.626 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.064 1.704 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.716 2.816 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.217 2.809 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.451 3.970 -12.598 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.731 1.562 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.744 1.134 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.887 1.988 -14.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.652 3.032 -14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.608 3.447 -13.305 1.00 0.00 H new ATOM 1088 N PRO A 79 9.464 5.816 -7.894 1.00 0.00 N ATOM 1089 CA PRO A 79 9.055 7.062 -7.264 1.00 0.00 C ATOM 1090 C PRO A 79 8.038 7.806 -8.131 1.00 0.00 C ATOM 1091 O PRO A 79 7.841 7.464 -9.296 1.00 0.00 O ATOM 1092 CB PRO A 79 10.345 7.841 -7.060 1.00 0.00 C ATOM 1093 CG PRO A 79 11.364 7.212 -7.997 1.00 0.00 C ATOM 1094 CD PRO A 79 10.803 5.884 -8.474 1.00 0.00 C ATOM 0 HA PRO A 79 8.545 6.906 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.204 8.897 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.678 7.781 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.560 7.869 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.313 7.062 -7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.766 5.838 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.421 5.051 -8.141 1.00 0.00 H new ATOM 1099 N ALA A 80 7.418 8.810 -7.529 1.00 0.00 N ATOM 1100 CA ALA A 80 6.426 9.606 -8.231 1.00 0.00 C ATOM 1101 C ALA A 80 6.214 10.924 -7.485 1.00 0.00 C ATOM 1102 O ALA A 80 5.674 10.937 -6.379 1.00 0.00 O ATOM 1103 CB ALA A 80 5.132 8.801 -8.372 1.00 0.00 C ATOM 0 H ALA A 80 7.584 9.091 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 80 6.771 9.849 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.388 9.398 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.330 7.889 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.755 8.542 -7.383 1.00 0.00 H new ATOM 1109 N LYS A 81 6.652 12.004 -8.118 1.00 0.00 N ATOM 1110 CA LYS A 81 6.517 13.323 -7.527 1.00 0.00 C ATOM 1111 C LYS A 81 7.077 14.369 -8.493 1.00 0.00 C ATOM 1112 O LYS A 81 7.689 15.348 -8.068 1.00 0.00 O ATOM 1113 CB LYS A 81 7.162 13.359 -6.141 1.00 0.00 C ATOM 1114 CG LYS A 81 7.143 14.775 -5.562 1.00 0.00 C ATOM 1115 CD LYS A 81 8.560 15.341 -5.449 1.00 0.00 C ATOM 1116 CE LYS A 81 8.760 16.054 -4.110 1.00 0.00 C ATOM 1117 NZ LYS A 81 10.195 16.343 -3.886 1.00 0.00 N ATOM 0 H LYS A 81 7.100 11.991 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 81 5.466 13.563 -7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.631 12.682 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.190 13.003 -6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.538 15.423 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.673 14.763 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.287 14.535 -5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.744 16.038 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.190 16.983 -4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.377 15.433 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.313 16.827 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.731 15.452 -3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.550 16.953 -4.650 1.00 0.00 H new ATOM 1127 N SER A 82 6.848 14.126 -9.776 1.00 0.00 N ATOM 1128 CA SER A 82 7.323 15.035 -10.805 1.00 0.00 C ATOM 1129 C SER A 82 7.487 16.442 -10.227 1.00 0.00 C ATOM 1130 O SER A 82 8.561 17.035 -10.324 1.00 0.00 O ATOM 1131 CB SER A 82 6.367 15.061 -12.001 1.00 0.00 C ATOM 1132 OG SER A 82 6.922 15.756 -13.113 1.00 0.00 O ATOM 0 H SER A 82 6.340 13.313 -10.126 1.00 0.00 H new ATOM 0 HA SER A 82 8.292 14.678 -11.155 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.127 14.039 -12.295 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.431 15.536 -11.707 1.00 0.00 H new ATOM 0 HG SER A 82 6.283 15.749 -13.856 1.00 0.00 H new ATOM 1137 N ALA A 83 6.408 16.935 -9.639 1.00 0.00 N ATOM 1138 CA ALA A 83 6.418 18.261 -9.045 1.00 0.00 C ATOM 1139 C ALA A 83 7.154 18.208 -7.705 1.00 0.00 C ATOM 1140 O ALA A 83 6.754 18.868 -6.747 1.00 0.00 O ATOM 1141 CB ALA A 83 4.982 18.769 -8.902 1.00 0.00 C ATOM 0 H ALA A 83 5.520 16.440 -9.561 1.00 0.00 H new ATOM 0 HA ALA A 83 6.949 18.965 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.991 19.764 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.513 18.816 -9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.418 18.090 -8.263 1.00 0.00 H new TER 1147 ALA A 83