USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 721 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -117:sc= -1.1 (180deg=-4.41!) USER MOD Single : A 14 ASN : amide:sc= -0.556 K(o=-0.56,f=-0.0085) USER MOD Single : A 16 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -150:sc= -1.93 USER MOD Single : A 27 ASN : amide:sc= 0.365 K(o=0.36,f=-4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-0.88) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.06 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 2:sc= 1.22 USER MOD Single : A 53 HIS : no HD1:sc= -0.726 K(o=-0.73,f=-1.7) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= -0.423 (180deg=-1.81!) USER MOD Single : A 62 ASN : amide:sc= -5.65! C(o=-5.6!,f=-3.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -6.76! C(o=-6.8!,f=-4.7!) USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= 0.106 (180deg=-0.231) USER MOD Single : A 73 GLN : amide:sc= -1.33 K(o=-1.3,f=-9.6!) USER MOD Single : A 77 THR OG1 : rot -14:sc= -2.68! USER MOD Single : A 80 ASN : amide:sc= -3.12 K(o=-3.1,f=-2.2) USER MOD Single : A 81 THR OG1 : rot -91:sc= 0.293 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 86 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.29) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -22.277 1.764 -4.086 1.00 15.00 N ATOM 2 CA PRO A 1 -22.132 2.484 -2.791 1.00 15.00 C ATOM 3 C PRO A 1 -21.695 1.544 -1.668 1.00 15.00 C ATOM 4 O PRO A 1 -22.330 1.477 -0.615 1.00 15.00 O ATOM 5 CB PRO A 1 -23.482 3.117 -2.464 1.00 15.00 C ATOM 6 CG PRO A 1 -24.301 2.893 -3.690 1.00 15.00 C ATOM 7 CD PRO A 1 -23.719 1.680 -4.373 1.00 15.00 C ATOM 0 H2 PRO A 1 -21.866 0.832 -4.029 1.00 15.00 H new ATOM 0 H3 PRO A 1 -21.789 2.260 -4.832 1.00 15.00 H new ATOM 0 HA PRO A 1 -21.357 3.246 -2.879 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -23.938 2.652 -1.590 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -23.380 4.179 -2.242 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -25.348 2.730 -3.434 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -24.265 3.763 -4.346 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -24.150 0.758 -3.983 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -23.914 1.694 -5.445 1.00 15.00 H new ATOM 17 N LYS A 2 -20.604 0.820 -1.901 1.00 15.00 N ATOM 18 CA LYS A 2 -20.082 -0.115 -0.911 1.00 15.00 C ATOM 19 C LYS A 2 -18.587 -0.346 -1.117 1.00 15.00 C ATOM 20 O LYS A 2 -18.085 -0.260 -2.238 1.00 15.00 O ATOM 21 CB LYS A 2 -20.831 -1.446 -0.992 1.00 15.00 C ATOM 22 CG LYS A 2 -20.808 -2.072 -2.377 1.00 15.00 C ATOM 23 CD LYS A 2 -21.944 -3.066 -2.558 1.00 15.00 C ATOM 24 CE LYS A 2 -21.889 -3.732 -3.923 1.00 15.00 C ATOM 25 NZ LYS A 2 -21.041 -4.956 -3.911 1.00 15.00 N ATOM 0 H LYS A 2 -20.065 0.863 -2.766 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.232 0.319 0.078 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.393 -2.144 -0.279 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.867 -1.290 -0.690 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -20.884 -1.290 -3.132 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -19.854 -2.575 -2.534 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -21.891 -3.826 -1.779 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -22.899 -2.554 -2.440 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -22.899 -3.993 -4.240 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -21.497 -3.026 -4.656 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -21.030 -5.380 -4.861 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -20.071 -4.704 -3.633 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -21.429 -5.640 -3.231 1.00 15.00 H new ATOM 39 N PRO A 3 -17.852 -0.648 -0.032 1.00 15.00 N ATOM 40 CA PRO A 3 -16.408 -0.896 -0.101 1.00 15.00 C ATOM 41 C PRO A 3 -16.076 -2.128 -0.935 1.00 15.00 C ATOM 42 O PRO A 3 -16.901 -2.601 -1.715 1.00 15.00 O ATOM 43 CB PRO A 3 -16.006 -1.114 1.361 1.00 15.00 C ATOM 44 CG PRO A 3 -17.266 -1.498 2.057 1.00 15.00 C ATOM 45 CD PRO A 3 -18.370 -0.774 1.341 1.00 15.00 C ATOM 0 HA PRO A 3 -15.877 -0.073 -0.579 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -15.252 -1.896 1.450 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.578 -0.209 1.791 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.419 -2.577 2.021 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -17.232 -1.216 3.109 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -19.304 -1.335 1.369 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -18.569 0.200 1.788 1.00 15.00 H new ATOM 53 N GLY A 4 -14.860 -2.640 -0.774 1.00 15.00 N ATOM 54 CA GLY A 4 -14.447 -3.808 -1.528 1.00 15.00 C ATOM 55 C GLY A 4 -13.835 -3.446 -2.866 1.00 15.00 C ATOM 56 O GLY A 4 -13.104 -4.240 -3.457 1.00 15.00 O ATOM 0 H GLY A 4 -14.156 -2.268 -0.137 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.724 -4.377 -0.943 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.308 -4.456 -1.689 1.00 15.00 H new ATOM 60 N ASP A 5 -14.132 -2.241 -3.343 1.00 15.00 N ATOM 61 CA ASP A 5 -13.603 -1.776 -4.619 1.00 15.00 C ATOM 62 C ASP A 5 -12.087 -1.701 -4.577 1.00 15.00 C ATOM 63 O ASP A 5 -11.493 -1.381 -3.548 1.00 15.00 O ATOM 64 CB ASP A 5 -14.187 -0.408 -4.975 1.00 15.00 C ATOM 65 CG ASP A 5 -14.020 0.601 -3.855 1.00 15.00 C ATOM 66 OD1 ASP A 5 -14.788 0.530 -2.873 1.00 15.00 O ATOM 67 OD2 ASP A 5 -13.121 1.461 -3.960 1.00 15.00 O ATOM 0 H ASP A 5 -14.735 -1.571 -2.866 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.894 -2.492 -5.387 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -13.701 -0.032 -5.875 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -15.246 -0.517 -5.207 1.00 15.00 H new ATOM 72 N ILE A 6 -11.474 -2.016 -5.704 1.00 15.00 N ATOM 73 CA ILE A 6 -10.028 -2.010 -5.821 1.00 15.00 C ATOM 74 C ILE A 6 -9.541 -0.787 -6.591 1.00 15.00 C ATOM 75 O ILE A 6 -10.168 -0.360 -7.560 1.00 15.00 O ATOM 76 CB ILE A 6 -9.549 -3.294 -6.532 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.189 -4.367 -5.505 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.359 -3.014 -7.449 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.327 -4.712 -4.568 1.00 15.00 C ATOM 0 H ILE A 6 -11.962 -2.282 -6.559 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.610 -1.971 -4.815 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.368 -3.658 -7.152 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.874 -5.269 -6.029 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.336 -4.025 -4.918 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.047 -3.939 -7.934 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.648 -2.286 -8.208 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.532 -2.616 -6.861 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.001 -5.480 -3.866 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.627 -3.821 -4.017 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.173 -5.084 -5.145 1.00 15.00 H new ATOM 91 N PHE A 7 -8.406 -0.246 -6.169 1.00 15.00 N ATOM 92 CA PHE A 7 -7.820 0.906 -6.837 1.00 15.00 C ATOM 93 C PHE A 7 -6.304 0.761 -6.907 1.00 15.00 C ATOM 94 O PHE A 7 -5.724 -0.080 -6.223 1.00 15.00 O ATOM 95 CB PHE A 7 -8.216 2.210 -6.132 1.00 15.00 C ATOM 96 CG PHE A 7 -7.414 2.524 -4.898 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.101 2.962 -4.998 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.978 2.392 -3.640 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.369 3.261 -3.866 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.250 2.692 -2.505 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.944 3.126 -2.619 1.00 15.00 C ATOM 0 H PHE A 7 -7.874 -0.587 -5.368 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.209 0.949 -7.854 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.111 3.035 -6.837 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.270 2.155 -5.860 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.647 3.070 -5.972 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.998 2.051 -3.545 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.348 3.600 -3.957 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.702 2.587 -1.530 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.373 3.360 -1.733 1.00 15.00 H new ATOM 111 N GLU A 8 -5.668 1.568 -7.747 1.00 15.00 N ATOM 112 CA GLU A 8 -4.220 1.503 -7.911 1.00 15.00 C ATOM 113 C GLU A 8 -3.574 2.877 -7.796 1.00 15.00 C ATOM 114 O GLU A 8 -4.107 3.878 -8.276 1.00 15.00 O ATOM 115 CB GLU A 8 -3.879 0.893 -9.266 1.00 15.00 C ATOM 116 CG GLU A 8 -4.565 1.585 -10.426 1.00 15.00 C ATOM 117 CD GLU A 8 -4.646 0.713 -11.663 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.115 -0.439 -11.548 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.242 1.182 -12.747 1.00 15.00 O ATOM 0 H GLU A 8 -6.129 2.272 -8.323 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.826 0.878 -7.110 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.800 0.935 -9.414 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.160 -0.160 -9.263 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.571 1.877 -10.126 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.026 2.501 -10.667 1.00 15.00 H new ATOM 126 N VAL A 9 -2.408 2.897 -7.171 1.00 15.00 N ATOM 127 CA VAL A 9 -1.639 4.121 -6.991 1.00 15.00 C ATOM 128 C VAL A 9 -0.507 4.171 -8.008 1.00 15.00 C ATOM 129 O VAL A 9 0.397 3.336 -7.986 1.00 15.00 O ATOM 130 CB VAL A 9 -1.075 4.244 -5.547 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.100 2.899 -4.832 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.337 4.821 -5.545 1.00 15.00 C ATOM 0 H VAL A 9 -1.967 2.067 -6.774 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.310 4.966 -7.150 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.722 4.934 -5.005 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.700 3.015 -3.825 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.126 2.536 -4.775 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.492 2.182 -5.384 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.699 4.893 -4.519 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.997 4.170 -6.118 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.325 5.813 -5.996 1.00 15.00 H new ATOM 142 N GLU A 10 -0.575 5.138 -8.910 1.00 15.00 N ATOM 143 CA GLU A 10 0.434 5.276 -9.946 1.00 15.00 C ATOM 144 C GLU A 10 1.369 6.450 -9.677 1.00 15.00 C ATOM 145 O GLU A 10 1.317 7.469 -10.364 1.00 15.00 O ATOM 146 CB GLU A 10 -0.245 5.442 -11.300 1.00 15.00 C ATOM 147 CG GLU A 10 0.726 5.609 -12.458 1.00 15.00 C ATOM 148 CD GLU A 10 0.063 5.421 -13.808 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.735 4.470 -13.949 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.340 6.224 -14.723 1.00 15.00 O ATOM 0 H GLU A 10 -1.317 5.837 -8.945 1.00 15.00 H new ATOM 0 HA GLU A 10 1.042 4.371 -9.947 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.875 4.573 -11.489 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.903 6.310 -11.262 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.173 6.602 -12.412 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.538 4.889 -12.353 1.00 15.00 H new ATOM 157 N LEU A 11 2.235 6.291 -8.684 1.00 15.00 N ATOM 158 CA LEU A 11 3.196 7.331 -8.340 1.00 15.00 C ATOM 159 C LEU A 11 4.469 7.159 -9.161 1.00 15.00 C ATOM 160 O LEU A 11 4.680 6.114 -9.772 1.00 15.00 O ATOM 161 CB LEU A 11 3.526 7.291 -6.846 1.00 15.00 C ATOM 162 CG LEU A 11 3.728 8.661 -6.188 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.445 9.479 -6.234 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.202 8.495 -4.753 1.00 15.00 C ATOM 0 H LEU A 11 2.292 5.454 -8.104 1.00 15.00 H new ATOM 0 HA LEU A 11 2.752 8.300 -8.569 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.722 6.770 -6.326 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.431 6.701 -6.705 1.00 15.00 H new ATOM 0 HG LEU A 11 4.494 9.199 -6.748 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.613 10.447 -5.761 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.146 9.629 -7.271 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.656 8.948 -5.702 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.341 9.477 -4.300 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.458 7.936 -4.186 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.148 7.954 -4.743 1.00 15.00 H new ATOM 176 N ALA A 12 5.313 8.182 -9.179 1.00 15.00 N ATOM 177 CA ALA A 12 6.558 8.120 -9.935 1.00 15.00 C ATOM 178 C ALA A 12 7.721 7.698 -9.045 1.00 15.00 C ATOM 179 O ALA A 12 8.369 8.532 -8.413 1.00 15.00 O ATOM 180 CB ALA A 12 6.852 9.458 -10.591 1.00 15.00 C ATOM 0 H ALA A 12 5.160 9.060 -8.682 1.00 15.00 H new ATOM 0 HA ALA A 12 6.439 7.368 -10.715 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.785 9.392 -11.151 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.039 9.717 -11.270 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.943 10.227 -9.824 1.00 15.00 H new ATOM 186 N LYS A 13 7.979 6.395 -9.003 1.00 15.00 N ATOM 187 CA LYS A 13 9.064 5.852 -8.193 1.00 15.00 C ATOM 188 C LYS A 13 10.390 6.529 -8.531 1.00 15.00 C ATOM 189 O LYS A 13 11.253 6.695 -7.670 1.00 15.00 O ATOM 190 CB LYS A 13 9.173 4.342 -8.409 1.00 15.00 C ATOM 191 CG LYS A 13 9.590 3.578 -7.165 1.00 15.00 C ATOM 192 CD LYS A 13 10.977 3.983 -6.699 1.00 15.00 C ATOM 193 CE LYS A 13 10.913 4.817 -5.429 1.00 15.00 C ATOM 194 NZ LYS A 13 12.063 4.544 -4.522 1.00 15.00 N ATOM 0 H LYS A 13 7.450 5.694 -9.522 1.00 15.00 H new ATOM 0 HA LYS A 13 8.840 6.048 -7.144 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.211 3.962 -8.753 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.894 4.148 -9.203 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.870 3.760 -6.367 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.573 2.508 -7.372 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.578 3.091 -6.521 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.475 4.551 -7.485 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.901 5.875 -5.691 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.981 4.608 -4.905 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 11.713 4.145 -3.628 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.709 3.866 -4.974 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.572 5.431 -4.330 1.00 15.00 H new ATOM 208 N ASN A 14 10.543 6.924 -9.788 1.00 15.00 N ATOM 209 CA ASN A 14 11.764 7.584 -10.236 1.00 15.00 C ATOM 210 C ASN A 14 11.702 9.081 -9.954 1.00 15.00 C ATOM 211 O ASN A 14 10.664 9.715 -10.145 1.00 15.00 O ATOM 212 CB ASN A 14 11.980 7.343 -11.731 1.00 15.00 C ATOM 213 CG ASN A 14 13.402 7.643 -12.166 1.00 15.00 C ATOM 214 OD1 ASN A 14 14.189 6.732 -12.423 1.00 15.00 O ATOM 215 ND2 ASN A 14 13.738 8.925 -12.250 1.00 15.00 N ATOM 0 H ASN A 14 9.839 6.800 -10.515 1.00 15.00 H new ATOM 0 HA ASN A 14 12.603 7.161 -9.683 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.742 6.306 -11.967 1.00 15.00 H new ATOM 0 HB3 ASN A 14 11.290 7.966 -12.300 1.00 15.00 H new ATOM 0 HD21 ASN A 14 14.681 9.187 -12.537 1.00 15.00 H new ATOM 0 HD22 ASN A 14 13.053 9.647 -12.027 1.00 15.00 H new ATOM 222 N ASP A 15 12.823 9.634 -9.487 1.00 15.00 N ATOM 223 CA ASP A 15 12.925 11.059 -9.158 1.00 15.00 C ATOM 224 C ASP A 15 12.514 11.323 -7.711 1.00 15.00 C ATOM 225 O ASP A 15 12.984 12.276 -7.090 1.00 15.00 O ATOM 226 CB ASP A 15 12.074 11.911 -10.108 1.00 15.00 C ATOM 227 CG ASP A 15 12.534 13.355 -10.158 1.00 15.00 C ATOM 228 OD1 ASP A 15 13.658 13.603 -10.643 1.00 15.00 O ATOM 229 OD2 ASP A 15 11.770 14.237 -9.713 1.00 15.00 O ATOM 0 H ASP A 15 13.683 9.110 -9.326 1.00 15.00 H new ATOM 0 HA ASP A 15 13.970 11.344 -9.279 1.00 15.00 H new ATOM 0 HB2 ASP A 15 12.116 11.484 -11.110 1.00 15.00 H new ATOM 0 HB3 ASP A 15 11.032 11.875 -9.789 1.00 15.00 H new ATOM 234 N ASN A 16 11.638 10.475 -7.177 1.00 15.00 N ATOM 235 CA ASN A 16 11.171 10.622 -5.803 1.00 15.00 C ATOM 236 C ASN A 16 10.551 9.322 -5.299 1.00 15.00 C ATOM 237 O ASN A 16 9.750 8.695 -5.992 1.00 15.00 O ATOM 238 CB ASN A 16 10.149 11.757 -5.705 1.00 15.00 C ATOM 239 CG ASN A 16 10.801 13.126 -5.716 1.00 15.00 C ATOM 240 OD1 ASN A 16 10.856 13.792 -6.749 1.00 15.00 O ATOM 241 ND2 ASN A 16 11.300 13.553 -4.561 1.00 15.00 N ATOM 0 H ASN A 16 11.238 9.680 -7.675 1.00 15.00 H new ATOM 0 HA ASN A 16 12.031 10.863 -5.178 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.449 11.685 -6.537 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.569 11.641 -4.790 1.00 15.00 H new ATOM 0 HD21 ASN A 16 11.751 14.466 -4.507 1.00 15.00 H new ATOM 0 HD22 ASN A 16 11.232 12.967 -3.729 1.00 15.00 H new ATOM 248 N SER A 17 10.925 8.923 -4.087 1.00 15.00 N ATOM 249 CA SER A 17 10.403 7.699 -3.489 1.00 15.00 C ATOM 250 C SER A 17 9.085 7.969 -2.776 1.00 15.00 C ATOM 251 O SER A 17 8.446 8.994 -3.006 1.00 15.00 O ATOM 252 CB SER A 17 11.411 7.113 -2.499 1.00 15.00 C ATOM 253 OG SER A 17 12.622 7.849 -2.502 1.00 15.00 O ATOM 0 H SER A 17 11.588 9.430 -3.500 1.00 15.00 H new ATOM 0 HA SER A 17 10.231 6.980 -4.290 1.00 15.00 H new ATOM 0 HB2 SER A 17 10.983 7.116 -1.496 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.614 6.073 -2.756 1.00 15.00 H new ATOM 0 HG SER A 17 13.247 7.453 -1.859 1.00 15.00 H new ATOM 259 N LEU A 18 8.684 7.050 -1.904 1.00 15.00 N ATOM 260 CA LEU A 18 7.444 7.209 -1.161 1.00 15.00 C ATOM 261 C LEU A 18 7.706 7.871 0.187 1.00 15.00 C ATOM 262 O LEU A 18 8.813 8.337 0.458 1.00 15.00 O ATOM 263 CB LEU A 18 6.751 5.856 -0.960 1.00 15.00 C ATOM 264 CG LEU A 18 6.518 5.047 -2.238 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.848 5.905 -3.301 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.831 4.479 -2.757 1.00 15.00 C ATOM 0 H LEU A 18 9.197 6.193 -1.697 1.00 15.00 H new ATOM 0 HA LEU A 18 6.784 7.852 -1.743 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.350 5.257 -0.274 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.789 6.027 -0.477 1.00 15.00 H new ATOM 0 HG LEU A 18 5.854 4.216 -2.002 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.691 5.312 -4.202 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.887 6.261 -2.929 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.485 6.758 -3.535 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.646 3.907 -3.666 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.519 5.295 -2.976 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.270 3.827 -2.001 1.00 15.00 H new ATOM 278 N GLY A 19 6.679 7.913 1.025 1.00 15.00 N ATOM 279 CA GLY A 19 6.810 8.523 2.333 1.00 15.00 C ATOM 280 C GLY A 19 5.722 8.075 3.276 1.00 15.00 C ATOM 281 O GLY A 19 5.178 8.875 4.032 1.00 15.00 O ATOM 0 H GLY A 19 5.754 7.534 0.821 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.783 8.270 2.755 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.778 9.608 2.232 1.00 15.00 H new ATOM 285 N ILE A 20 5.390 6.795 3.212 1.00 15.00 N ATOM 286 CA ILE A 20 4.349 6.233 4.055 1.00 15.00 C ATOM 287 C ILE A 20 4.910 5.242 5.073 1.00 15.00 C ATOM 288 O ILE A 20 5.767 4.419 4.750 1.00 15.00 O ATOM 289 CB ILE A 20 3.267 5.543 3.194 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.896 6.112 3.534 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.278 4.041 3.403 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.750 5.173 3.243 1.00 15.00 C ATOM 0 H ILE A 20 5.829 6.124 2.582 1.00 15.00 H new ATOM 0 HA ILE A 20 3.901 7.060 4.605 1.00 15.00 H new ATOM 0 HB ILE A 20 3.487 5.738 2.144 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.876 6.376 4.591 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.748 7.034 2.972 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.507 3.582 2.785 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.253 3.642 3.123 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.083 3.818 4.452 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.191 5.653 3.513 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.741 4.928 2.181 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.871 4.259 3.825 1.00 15.00 H new ATOM 304 N SER A 21 4.382 5.299 6.289 1.00 15.00 N ATOM 305 CA SER A 21 4.784 4.378 7.342 1.00 15.00 C ATOM 306 C SER A 21 3.782 3.228 7.375 1.00 15.00 C ATOM 307 O SER A 21 2.637 3.407 7.789 1.00 15.00 O ATOM 308 CB SER A 21 4.840 5.097 8.694 1.00 15.00 C ATOM 309 OG SER A 21 5.004 4.175 9.757 1.00 15.00 O ATOM 0 H SER A 21 3.672 5.976 6.570 1.00 15.00 H new ATOM 0 HA SER A 21 5.783 3.990 7.141 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.665 5.809 8.696 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.924 5.669 8.843 1.00 15.00 H new ATOM 0 HG SER A 21 5.038 4.660 10.608 1.00 15.00 H new ATOM 315 N VAL A 22 4.196 2.065 6.880 1.00 15.00 N ATOM 316 CA VAL A 22 3.298 0.915 6.800 1.00 15.00 C ATOM 317 C VAL A 22 3.394 -0.015 8.006 1.00 15.00 C ATOM 318 O VAL A 22 4.412 -0.068 8.696 1.00 15.00 O ATOM 319 CB VAL A 22 3.569 0.098 5.522 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.459 0.985 4.293 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.941 -0.560 5.579 1.00 15.00 C ATOM 0 H VAL A 22 5.139 1.894 6.531 1.00 15.00 H new ATOM 0 HA VAL A 22 2.291 1.331 6.782 1.00 15.00 H new ATOM 0 HB VAL A 22 2.817 -0.688 5.455 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.653 0.393 3.399 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.456 1.408 4.238 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.189 1.792 4.360 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.109 -1.131 4.666 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.709 0.208 5.673 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.989 -1.228 6.439 1.00 15.00 H new ATOM 331 N THR A 23 2.309 -0.755 8.234 1.00 15.00 N ATOM 332 CA THR A 23 2.228 -1.707 9.335 1.00 15.00 C ATOM 333 C THR A 23 1.315 -2.878 8.963 1.00 15.00 C ATOM 334 O THR A 23 0.865 -2.989 7.819 1.00 15.00 O ATOM 335 CB THR A 23 1.708 -1.014 10.597 1.00 15.00 C ATOM 336 OG1 THR A 23 1.685 0.389 10.421 1.00 15.00 O ATOM 337 CG2 THR A 23 2.536 -1.310 11.828 1.00 15.00 C ATOM 0 H THR A 23 1.466 -0.710 7.662 1.00 15.00 H new ATOM 0 HA THR A 23 3.228 -2.094 9.532 1.00 15.00 H new ATOM 0 HB THR A 23 0.705 -1.410 10.753 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.824 0.829 11.285 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.112 -0.788 12.686 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.533 -2.383 12.019 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.560 -0.973 11.667 1.00 15.00 H new ATOM 345 N GLY A 24 1.037 -3.743 9.935 1.00 15.00 N ATOM 346 CA GLY A 24 0.172 -4.886 9.689 1.00 15.00 C ATOM 347 C GLY A 24 0.804 -5.911 8.769 1.00 15.00 C ATOM 348 O GLY A 24 1.863 -6.457 9.073 1.00 15.00 O ATOM 0 H GLY A 24 1.394 -3.674 10.888 1.00 15.00 H new ATOM 0 HA2 GLY A 24 -0.075 -5.360 10.639 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.765 -4.540 9.252 1.00 15.00 H new ATOM 352 N GLY A 25 0.153 -6.168 7.639 1.00 15.00 N ATOM 353 CA GLY A 25 0.674 -7.128 6.682 1.00 15.00 C ATOM 354 C GLY A 25 0.635 -8.558 7.183 1.00 15.00 C ATOM 355 O GLY A 25 -0.094 -9.388 6.640 1.00 15.00 O ATOM 0 H GLY A 25 -0.727 -5.728 7.368 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.099 -7.058 5.759 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.703 -6.864 6.437 1.00 15.00 H new ATOM 359 N VAL A 26 1.433 -8.846 8.212 1.00 15.00 N ATOM 360 CA VAL A 26 1.511 -10.191 8.794 1.00 15.00 C ATOM 361 C VAL A 26 0.172 -10.922 8.728 1.00 15.00 C ATOM 362 O VAL A 26 -0.888 -10.312 8.865 1.00 15.00 O ATOM 363 CB VAL A 26 1.973 -10.142 10.263 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.485 -10.003 10.347 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.285 -9.005 10.998 1.00 15.00 C ATOM 0 H VAL A 26 2.040 -8.162 8.664 1.00 15.00 H new ATOM 0 HA VAL A 26 2.243 -10.736 8.198 1.00 15.00 H new ATOM 0 HB VAL A 26 1.693 -11.079 10.743 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.790 -9.970 11.393 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.956 -10.856 9.858 1.00 15.00 H new ATOM 0 HG13 VAL A 26 3.794 -9.083 9.850 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.623 -8.985 12.034 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.532 -8.059 10.517 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.206 -9.155 10.971 1.00 15.00 H new ATOM 375 N ASN A 27 0.232 -12.232 8.512 1.00 15.00 N ATOM 376 CA ASN A 27 -0.972 -13.048 8.421 1.00 15.00 C ATOM 377 C ASN A 27 -1.576 -13.288 9.802 1.00 15.00 C ATOM 378 O ASN A 27 -1.663 -14.426 10.264 1.00 15.00 O ATOM 379 CB ASN A 27 -0.655 -14.386 7.750 1.00 15.00 C ATOM 380 CG ASN A 27 0.470 -15.129 8.443 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.597 -14.639 8.521 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.170 -16.318 8.950 1.00 15.00 N ATOM 0 H ASN A 27 1.103 -12.751 8.397 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.701 -12.509 7.816 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -1.550 -15.008 7.747 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.384 -14.212 6.709 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.887 -16.864 9.427 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.777 -16.686 8.862 1.00 15.00 H new ATOM 389 N THR A 28 -1.993 -12.209 10.456 1.00 15.00 N ATOM 390 CA THR A 28 -2.590 -12.304 11.783 1.00 15.00 C ATOM 391 C THR A 28 -3.571 -11.160 12.023 1.00 15.00 C ATOM 392 O THR A 28 -4.778 -11.375 12.124 1.00 15.00 O ATOM 393 CB THR A 28 -1.500 -12.292 12.857 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.316 -11.692 12.364 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.140 -13.674 13.358 1.00 15.00 C ATOM 0 H THR A 28 -1.929 -11.259 10.089 1.00 15.00 H new ATOM 0 HA THR A 28 -3.138 -13.245 11.841 1.00 15.00 H new ATOM 0 HB THR A 28 -1.917 -11.719 13.685 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.368 -11.693 13.066 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.362 -13.595 14.117 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.022 -14.145 13.791 1.00 15.00 H new ATOM 0 HG23 THR A 28 -0.776 -14.279 12.527 1.00 15.00 H new ATOM 403 N SER A 29 -3.042 -9.945 12.113 1.00 15.00 N ATOM 404 CA SER A 29 -3.869 -8.766 12.343 1.00 15.00 C ATOM 405 C SER A 29 -4.767 -8.487 11.142 1.00 15.00 C ATOM 406 O SER A 29 -5.888 -8.001 11.292 1.00 15.00 O ATOM 407 CB SER A 29 -2.989 -7.548 12.629 1.00 15.00 C ATOM 408 OG SER A 29 -2.455 -7.601 13.940 1.00 15.00 O ATOM 0 H SER A 29 -2.044 -9.750 12.030 1.00 15.00 H new ATOM 0 HA SER A 29 -4.501 -8.961 13.209 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.177 -7.504 11.904 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.574 -6.636 12.508 1.00 15.00 H new ATOM 0 HG SER A 29 -1.895 -6.812 14.097 1.00 15.00 H new ATOM 414 N VAL A 30 -4.265 -8.794 9.950 1.00 15.00 N ATOM 415 CA VAL A 30 -5.021 -8.573 8.723 1.00 15.00 C ATOM 416 C VAL A 30 -5.896 -9.778 8.389 1.00 15.00 C ATOM 417 O VAL A 30 -5.992 -10.724 9.170 1.00 15.00 O ATOM 418 CB VAL A 30 -4.085 -8.277 7.535 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.236 -7.047 7.821 1.00 15.00 C ATOM 420 CG2 VAL A 30 -3.206 -9.482 7.228 1.00 15.00 C ATOM 0 H VAL A 30 -3.338 -9.196 9.808 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.660 -7.707 8.894 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.697 -8.074 6.656 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.581 -6.852 6.972 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.885 -6.187 7.984 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.633 -7.220 8.712 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.553 -9.251 6.386 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.600 -9.722 8.102 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.835 -10.336 6.976 1.00 15.00 H new ATOM 430 N ARG A 31 -6.535 -9.734 7.224 1.00 15.00 N ATOM 431 CA ARG A 31 -7.406 -10.819 6.786 1.00 15.00 C ATOM 432 C ARG A 31 -6.616 -12.108 6.574 1.00 15.00 C ATOM 433 O ARG A 31 -6.880 -13.122 7.220 1.00 15.00 O ATOM 434 CB ARG A 31 -8.130 -10.429 5.495 1.00 15.00 C ATOM 435 CG ARG A 31 -9.613 -10.154 5.689 1.00 15.00 C ATOM 436 CD ARG A 31 -10.146 -9.196 4.636 1.00 15.00 C ATOM 437 NE ARG A 31 -11.462 -9.598 4.145 1.00 15.00 N ATOM 438 CZ ARG A 31 -12.298 -8.780 3.510 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.958 -7.516 3.288 1.00 15.00 N ATOM 440 NH2 ARG A 31 -13.476 -9.226 3.096 1.00 15.00 N ATOM 0 H ARG A 31 -6.466 -8.958 6.566 1.00 15.00 H new ATOM 0 HA ARG A 31 -8.143 -10.996 7.569 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.656 -9.541 5.076 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.010 -11.229 4.765 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -10.167 -11.092 5.643 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.779 -9.734 6.681 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.207 -8.192 5.057 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.447 -9.149 3.801 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.757 -10.562 4.298 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.053 -7.168 3.604 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.602 -6.893 2.801 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -13.742 -10.196 3.264 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -14.116 -8.599 2.609 1.00 15.00 H new ATOM 454 N HIS A 32 -5.650 -12.066 5.660 1.00 15.00 N ATOM 455 CA HIS A 32 -4.831 -13.236 5.362 1.00 15.00 C ATOM 456 C HIS A 32 -3.347 -12.877 5.324 1.00 15.00 C ATOM 457 O HIS A 32 -2.543 -13.454 6.053 1.00 15.00 O ATOM 458 CB HIS A 32 -5.252 -13.849 4.027 1.00 15.00 C ATOM 459 CG HIS A 32 -6.715 -14.161 3.947 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.629 -13.331 3.334 1.00 15.00 N ATOM 461 CD2 HIS A 32 -7.422 -15.220 4.409 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.835 -13.864 3.423 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.736 -15.010 4.069 1.00 15.00 N ATOM 0 H HIS A 32 -5.416 -11.236 5.115 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.985 -13.965 6.158 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.991 -13.162 3.222 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.684 -14.764 3.861 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -7.026 -16.070 4.945 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.746 -13.435 3.033 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -9.510 -15.639 4.282 1.00 15.00 H new ATOM 472 N GLY A 33 -2.992 -11.929 4.464 1.00 15.00 N ATOM 473 CA GLY A 33 -1.603 -11.516 4.342 1.00 15.00 C ATOM 474 C GLY A 33 -1.441 -10.230 3.552 1.00 15.00 C ATOM 475 O GLY A 33 -0.360 -9.943 3.039 1.00 15.00 O ATOM 0 H GLY A 33 -3.640 -11.438 3.848 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -1.179 -11.382 5.337 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -1.034 -12.309 3.858 1.00 15.00 H new ATOM 479 N GLY A 34 -2.509 -9.443 3.468 1.00 15.00 N ATOM 480 CA GLY A 34 -2.440 -8.185 2.753 1.00 15.00 C ATOM 481 C GLY A 34 -1.880 -7.093 3.635 1.00 15.00 C ATOM 482 O GLY A 34 -2.007 -7.162 4.858 1.00 15.00 O ATOM 0 H GLY A 34 -3.417 -9.654 3.881 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.815 -8.299 1.868 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.435 -7.904 2.407 1.00 15.00 H new ATOM 486 N ILE A 35 -1.250 -6.088 3.040 1.00 15.00 N ATOM 487 CA ILE A 35 -0.675 -5.011 3.832 1.00 15.00 C ATOM 488 C ILE A 35 -1.678 -3.893 4.070 1.00 15.00 C ATOM 489 O ILE A 35 -2.597 -3.679 3.281 1.00 15.00 O ATOM 490 CB ILE A 35 0.611 -4.438 3.188 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.773 -4.499 4.192 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.395 -3.016 2.677 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.538 -3.199 4.354 1.00 15.00 C ATOM 0 H ILE A 35 -1.126 -5.997 2.032 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.407 -5.448 4.794 1.00 15.00 H new ATOM 0 HB ILE A 35 0.865 -5.052 2.324 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.380 -4.798 5.164 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.468 -5.277 3.876 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.318 -2.645 2.231 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.396 -3.015 1.927 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.108 -2.371 3.507 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.338 -3.336 5.081 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.965 -2.906 3.395 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.861 -2.419 4.703 1.00 15.00 H new ATOM 505 N TYR A 36 -1.473 -3.180 5.163 1.00 15.00 N ATOM 506 CA TYR A 36 -2.332 -2.064 5.531 1.00 15.00 C ATOM 507 C TYR A 36 -1.490 -0.941 6.113 1.00 15.00 C ATOM 508 O TYR A 36 -0.966 -1.057 7.221 1.00 15.00 O ATOM 509 CB TYR A 36 -3.389 -2.507 6.544 1.00 15.00 C ATOM 510 CG TYR A 36 -4.381 -3.500 5.986 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.998 -4.802 5.696 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.700 -3.135 5.747 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.899 -5.714 5.185 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.609 -4.041 5.236 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.204 -5.329 4.956 1.00 15.00 C ATOM 516 OH TYR A 36 -7.106 -6.236 4.446 1.00 15.00 O ATOM 0 H TYR A 36 -0.711 -3.355 5.819 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.843 -1.706 4.637 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.891 -2.949 7.407 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.928 -1.630 6.902 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.977 -5.107 5.873 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.020 -2.127 5.964 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.584 -6.724 4.966 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.631 -3.742 5.057 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.981 -5.806 4.345 1.00 15.00 H new ATOM 526 N VAL A 37 -1.344 0.136 5.355 1.00 15.00 N ATOM 527 CA VAL A 37 -0.536 1.263 5.809 1.00 15.00 C ATOM 528 C VAL A 37 -1.017 1.791 7.154 1.00 15.00 C ATOM 529 O VAL A 37 -2.186 1.657 7.509 1.00 15.00 O ATOM 530 CB VAL A 37 -0.493 2.431 4.780 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.678 1.937 3.361 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.515 3.514 5.083 1.00 15.00 C ATOM 0 H VAL A 37 -1.767 0.255 4.435 1.00 15.00 H new ATOM 0 HA VAL A 37 0.476 0.873 5.916 1.00 15.00 H new ATOM 0 HB VAL A 37 0.500 2.870 4.873 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.642 2.782 2.674 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.118 1.234 3.114 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.643 1.438 3.272 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.441 4.303 4.335 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.517 3.085 5.061 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.321 3.931 6.071 1.00 15.00 H new ATOM 542 N LYS A 38 -0.110 2.418 7.883 1.00 15.00 N ATOM 543 CA LYS A 38 -0.442 3.003 9.167 1.00 15.00 C ATOM 544 C LYS A 38 -0.994 4.401 8.929 1.00 15.00 C ATOM 545 O LYS A 38 -2.042 4.768 9.456 1.00 15.00 O ATOM 546 CB LYS A 38 0.793 3.018 10.086 1.00 15.00 C ATOM 547 CG LYS A 38 1.367 4.397 10.395 1.00 15.00 C ATOM 548 CD LYS A 38 1.882 4.465 11.823 1.00 15.00 C ATOM 549 CE LYS A 38 1.005 5.356 12.689 1.00 15.00 C ATOM 550 NZ LYS A 38 1.301 5.184 14.138 1.00 15.00 N ATOM 0 H LYS A 38 0.864 2.534 7.605 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.201 2.407 9.673 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.530 2.535 11.027 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.574 2.414 9.625 1.00 15.00 H new ATOM 0 HG2 LYS A 38 2.177 4.621 9.701 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.600 5.156 10.245 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.915 3.462 12.247 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.903 4.845 11.825 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.157 6.398 12.408 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.044 5.125 12.502 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.683 5.808 14.695 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 1.132 4.195 14.412 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.295 5.429 14.321 1.00 15.00 H new ATOM 564 N ALA A 39 -0.278 5.164 8.106 1.00 15.00 N ATOM 565 CA ALA A 39 -0.687 6.515 7.755 1.00 15.00 C ATOM 566 C ALA A 39 0.214 7.070 6.663 1.00 15.00 C ATOM 567 O ALA A 39 1.216 6.453 6.315 1.00 15.00 O ATOM 568 CB ALA A 39 -0.674 7.411 8.980 1.00 15.00 C ATOM 0 H ALA A 39 0.593 4.864 7.669 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.707 6.484 7.373 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.983 8.418 8.698 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.363 7.016 9.727 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.333 7.444 9.396 1.00 15.00 H new ATOM 574 N VAL A 40 -0.130 8.242 6.141 1.00 15.00 N ATOM 575 CA VAL A 40 0.677 8.874 5.099 1.00 15.00 C ATOM 576 C VAL A 40 1.614 9.893 5.737 1.00 15.00 C ATOM 577 O VAL A 40 1.170 10.906 6.279 1.00 15.00 O ATOM 578 CB VAL A 40 -0.186 9.569 4.018 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.152 8.782 2.717 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.620 9.749 4.492 1.00 15.00 C ATOM 0 H VAL A 40 -0.956 8.772 6.419 1.00 15.00 H new ATOM 0 HA VAL A 40 1.245 8.088 4.602 1.00 15.00 H new ATOM 0 HB VAL A 40 0.237 10.557 3.838 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.765 9.287 1.970 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.875 8.715 2.359 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.542 7.779 2.888 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.202 10.240 3.712 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.056 8.774 4.711 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.631 10.362 5.393 1.00 15.00 H new ATOM 590 N ILE A 41 2.906 9.588 5.719 1.00 15.00 N ATOM 591 CA ILE A 41 3.903 10.444 6.349 1.00 15.00 C ATOM 592 C ILE A 41 4.260 11.677 5.515 1.00 15.00 C ATOM 593 O ILE A 41 4.800 11.563 4.412 1.00 15.00 O ATOM 594 CB ILE A 41 5.177 9.633 6.708 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.910 8.687 7.890 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.347 10.549 7.030 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.475 8.213 8.004 1.00 15.00 C ATOM 0 H ILE A 41 3.288 8.753 5.274 1.00 15.00 H new ATOM 0 HA ILE A 41 3.448 10.818 7.266 1.00 15.00 H new ATOM 0 HB ILE A 41 5.440 9.038 5.833 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.560 7.817 7.797 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.186 9.194 8.814 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.222 9.948 7.277 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.568 11.174 6.165 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.090 11.182 7.879 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.378 7.551 8.864 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.817 9.073 8.131 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.197 7.674 7.098 1.00 15.00 H new ATOM 609 N PRO A 42 3.959 12.883 6.062 1.00 15.00 N ATOM 610 CA PRO A 42 4.235 14.171 5.405 1.00 15.00 C ATOM 611 C PRO A 42 5.724 14.407 5.149 1.00 15.00 C ATOM 612 O PRO A 42 6.305 15.360 5.667 1.00 15.00 O ATOM 613 CB PRO A 42 3.707 15.214 6.400 1.00 15.00 C ATOM 614 CG PRO A 42 2.770 14.470 7.283 1.00 15.00 C ATOM 615 CD PRO A 42 3.320 13.080 7.377 1.00 15.00 C ATOM 0 HA PRO A 42 3.766 14.215 4.422 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.520 15.658 6.974 1.00 15.00 H new ATOM 0 HB3 PRO A 42 3.199 16.029 5.884 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.708 14.934 8.267 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.762 14.465 6.869 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.037 12.985 8.192 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.534 12.347 7.557 1.00 15.00 H new ATOM 623 N GLN A 43 6.339 13.542 4.349 1.00 15.00 N ATOM 624 CA GLN A 43 7.755 13.679 4.038 1.00 15.00 C ATOM 625 C GLN A 43 8.081 13.132 2.650 1.00 15.00 C ATOM 626 O GLN A 43 8.772 13.783 1.866 1.00 15.00 O ATOM 627 CB GLN A 43 8.600 12.960 5.091 1.00 15.00 C ATOM 628 CG GLN A 43 9.065 13.864 6.220 1.00 15.00 C ATOM 629 CD GLN A 43 10.513 13.624 6.601 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.428 13.952 5.846 1.00 15.00 O ATOM 631 NE2 GLN A 43 10.727 13.048 7.779 1.00 15.00 N ATOM 0 H GLN A 43 5.882 12.744 3.907 1.00 15.00 H new ATOM 0 HA GLN A 43 7.993 14.743 4.046 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.020 12.138 5.511 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.472 12.520 4.607 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.939 14.905 5.922 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.432 13.704 7.093 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.938 12.793 8.373 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.680 12.861 8.090 1.00 15.00 H new ATOM 640 N GLY A 44 7.597 11.930 2.354 1.00 15.00 N ATOM 641 CA GLY A 44 7.874 11.325 1.061 1.00 15.00 C ATOM 642 C GLY A 44 6.876 11.702 -0.017 1.00 15.00 C ATOM 643 O GLY A 44 5.817 12.266 0.262 1.00 15.00 O ATOM 0 H GLY A 44 7.022 11.366 2.980 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.872 11.621 0.738 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.883 10.241 1.172 1.00 15.00 H new ATOM 647 N ALA A 45 7.229 11.376 -1.255 1.00 15.00 N ATOM 648 CA ALA A 45 6.392 11.670 -2.418 1.00 15.00 C ATOM 649 C ALA A 45 4.999 11.056 -2.312 1.00 15.00 C ATOM 650 O ALA A 45 4.105 11.405 -3.083 1.00 15.00 O ATOM 651 CB ALA A 45 7.075 11.184 -3.685 1.00 15.00 C ATOM 0 H ALA A 45 8.102 10.901 -1.483 1.00 15.00 H new ATOM 0 HA ALA A 45 6.264 12.752 -2.454 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.445 11.407 -4.546 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.035 11.688 -3.797 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.236 10.108 -3.622 1.00 15.00 H new ATOM 657 N ALA A 46 4.809 10.143 -1.366 1.00 15.00 N ATOM 658 CA ALA A 46 3.514 9.500 -1.194 1.00 15.00 C ATOM 659 C ALA A 46 2.506 10.473 -0.599 1.00 15.00 C ATOM 660 O ALA A 46 1.456 10.737 -1.196 1.00 15.00 O ATOM 661 CB ALA A 46 3.648 8.273 -0.307 1.00 15.00 C ATOM 0 H ALA A 46 5.529 9.834 -0.712 1.00 15.00 H new ATOM 0 HA ALA A 46 3.153 9.187 -2.174 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.672 7.802 -0.187 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.338 7.565 -0.767 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.030 8.570 0.670 1.00 15.00 H new ATOM 667 N GLU A 47 2.838 11.013 0.573 1.00 15.00 N ATOM 668 CA GLU A 47 1.974 11.976 1.247 1.00 15.00 C ATOM 669 C GLU A 47 1.711 13.180 0.342 1.00 15.00 C ATOM 670 O GLU A 47 0.588 13.677 0.257 1.00 15.00 O ATOM 671 CB GLU A 47 2.610 12.448 2.564 1.00 15.00 C ATOM 672 CG GLU A 47 3.834 13.317 2.343 1.00 15.00 C ATOM 673 CD GLU A 47 3.486 14.778 2.127 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.339 15.166 2.434 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.360 15.532 1.651 1.00 15.00 O ATOM 0 H GLU A 47 3.700 10.799 1.074 1.00 15.00 H new ATOM 0 HA GLU A 47 1.028 11.483 1.470 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.872 13.006 3.140 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.889 11.579 3.160 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.497 13.229 3.204 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.385 12.948 1.478 1.00 15.00 H new ATOM 682 N SER A 48 2.770 13.650 -0.323 1.00 15.00 N ATOM 683 CA SER A 48 2.676 14.802 -1.215 1.00 15.00 C ATOM 684 C SER A 48 1.579 14.592 -2.244 1.00 15.00 C ATOM 685 O SER A 48 0.524 15.222 -2.176 1.00 15.00 O ATOM 686 CB SER A 48 4.013 15.042 -1.917 1.00 15.00 C ATOM 687 OG SER A 48 5.031 15.357 -0.982 1.00 15.00 O ATOM 0 H SER A 48 3.705 13.246 -0.258 1.00 15.00 H new ATOM 0 HA SER A 48 2.430 15.679 -0.616 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.296 14.153 -2.481 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.910 15.856 -2.635 1.00 15.00 H new ATOM 0 HG SER A 48 4.663 15.325 -0.074 1.00 15.00 H new ATOM 693 N ASP A 49 1.821 13.688 -3.185 1.00 15.00 N ATOM 694 CA ASP A 49 0.832 13.389 -4.205 1.00 15.00 C ATOM 695 C ASP A 49 -0.451 12.926 -3.534 1.00 15.00 C ATOM 696 O ASP A 49 -1.553 13.306 -3.931 1.00 15.00 O ATOM 697 CB ASP A 49 1.350 12.308 -5.155 1.00 15.00 C ATOM 698 CG ASP A 49 1.921 12.887 -6.434 1.00 15.00 C ATOM 699 OD1 ASP A 49 3.020 13.479 -6.379 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.269 12.750 -7.491 1.00 15.00 O ATOM 0 H ASP A 49 2.687 13.155 -3.261 1.00 15.00 H new ATOM 0 HA ASP A 49 0.636 14.288 -4.789 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.118 11.722 -4.650 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.537 11.624 -5.400 1.00 15.00 H new ATOM 705 N GLY A 50 -0.289 12.107 -2.500 1.00 15.00 N ATOM 706 CA GLY A 50 -1.426 11.602 -1.764 1.00 15.00 C ATOM 707 C GLY A 50 -2.074 10.434 -2.472 1.00 15.00 C ATOM 708 O GLY A 50 -3.300 10.331 -2.521 1.00 15.00 O ATOM 0 H GLY A 50 0.617 11.784 -2.159 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.107 11.293 -0.768 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.158 12.399 -1.632 1.00 15.00 H new ATOM 712 N ARG A 51 -1.251 9.558 -3.036 1.00 15.00 N ATOM 713 CA ARG A 51 -1.764 8.399 -3.761 1.00 15.00 C ATOM 714 C ARG A 51 -2.175 7.299 -2.793 1.00 15.00 C ATOM 715 O ARG A 51 -3.282 6.768 -2.874 1.00 15.00 O ATOM 716 CB ARG A 51 -0.720 7.869 -4.747 1.00 15.00 C ATOM 717 CG ARG A 51 -0.769 8.547 -6.106 1.00 15.00 C ATOM 718 CD ARG A 51 -1.780 7.881 -7.025 1.00 15.00 C ATOM 719 NE ARG A 51 -3.104 8.487 -6.915 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.105 8.238 -7.756 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.936 7.398 -8.769 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.278 8.832 -7.583 1.00 15.00 N ATOM 0 H ARG A 51 -0.234 9.626 -3.007 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.642 8.716 -4.323 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.273 8.003 -4.319 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.868 6.797 -4.879 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.028 9.598 -5.980 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.219 8.515 -6.566 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.434 7.952 -8.056 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -1.846 6.820 -6.783 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.271 9.139 -6.149 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.035 6.939 -8.906 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.707 7.211 -9.410 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.412 9.479 -6.806 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -6.046 8.642 -8.227 1.00 15.00 H new ATOM 736 N ILE A 52 -1.280 6.970 -1.873 1.00 15.00 N ATOM 737 CA ILE A 52 -1.546 5.948 -0.883 1.00 15.00 C ATOM 738 C ILE A 52 -2.383 6.525 0.260 1.00 15.00 C ATOM 739 O ILE A 52 -2.475 7.743 0.411 1.00 15.00 O ATOM 740 CB ILE A 52 -0.225 5.372 -0.343 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.490 4.121 0.485 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.526 6.420 0.465 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.261 3.062 -0.265 1.00 15.00 C ATOM 0 H ILE A 52 -0.359 7.402 -1.795 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.109 5.142 -1.354 1.00 15.00 H new ATOM 0 HB ILE A 52 0.404 5.090 -1.187 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.461 3.703 0.814 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.044 4.398 1.382 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.457 5.993 0.838 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.749 7.278 -0.169 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.089 6.740 1.306 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.416 2.198 0.382 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.227 3.464 -0.571 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.698 2.758 -1.147 1.00 15.00 H new ATOM 755 N HIS A 53 -3.005 5.657 1.052 1.00 15.00 N ATOM 756 CA HIS A 53 -3.843 6.114 2.157 1.00 15.00 C ATOM 757 C HIS A 53 -3.800 5.168 3.338 1.00 15.00 C ATOM 758 O HIS A 53 -3.422 4.006 3.219 1.00 15.00 O ATOM 759 CB HIS A 53 -5.287 6.302 1.689 1.00 15.00 C ATOM 760 CG HIS A 53 -5.443 7.365 0.647 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.264 7.131 -0.701 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.765 8.676 0.759 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.468 8.251 -1.372 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.773 9.203 -0.509 1.00 15.00 N ATOM 0 H HIS A 53 -2.946 4.644 0.952 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.441 7.071 2.489 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.658 5.357 1.291 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.909 6.552 2.548 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.976 9.208 1.675 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.397 8.368 -2.443 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.981 10.173 -0.746 1.00 15.00 H new ATOM 773 N LYS A 54 -4.178 5.708 4.485 1.00 15.00 N ATOM 774 CA LYS A 54 -4.183 4.977 5.737 1.00 15.00 C ATOM 775 C LYS A 54 -4.754 3.564 5.589 1.00 15.00 C ATOM 776 O LYS A 54 -5.807 3.367 4.983 1.00 15.00 O ATOM 777 CB LYS A 54 -4.986 5.751 6.786 1.00 15.00 C ATOM 778 CG LYS A 54 -4.129 6.382 7.868 1.00 15.00 C ATOM 779 CD LYS A 54 -4.921 6.606 9.146 1.00 15.00 C ATOM 780 CE LYS A 54 -5.075 5.318 9.938 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.358 4.627 9.631 1.00 15.00 N ATOM 0 H LYS A 54 -4.492 6.674 4.572 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.146 4.876 6.056 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.560 6.532 6.288 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.704 5.076 7.251 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.273 5.740 8.077 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.734 7.333 7.512 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.419 7.354 9.760 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.906 7.003 8.900 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.242 4.652 9.714 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.028 5.540 11.004 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.745 4.210 10.502 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.038 5.313 9.244 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.189 3.875 8.933 1.00 15.00 H new ATOM 795 N GLY A 55 -4.050 2.588 6.162 1.00 15.00 N ATOM 796 CA GLY A 55 -4.494 1.205 6.105 1.00 15.00 C ATOM 797 C GLY A 55 -4.852 0.746 4.707 1.00 15.00 C ATOM 798 O GLY A 55 -5.771 -0.054 4.533 1.00 15.00 O ATOM 0 H GLY A 55 -3.176 2.733 6.667 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.708 0.562 6.500 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.362 1.083 6.753 1.00 15.00 H new ATOM 802 N ASP A 56 -4.129 1.237 3.705 1.00 15.00 N ATOM 803 CA ASP A 56 -4.402 0.841 2.328 1.00 15.00 C ATOM 804 C ASP A 56 -4.098 -0.638 2.123 1.00 15.00 C ATOM 805 O ASP A 56 -3.039 -1.124 2.527 1.00 15.00 O ATOM 806 CB ASP A 56 -3.597 1.687 1.340 1.00 15.00 C ATOM 807 CG ASP A 56 -4.485 2.383 0.330 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.287 1.690 -0.331 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.381 3.621 0.202 1.00 15.00 O ATOM 0 H ASP A 56 -3.361 1.899 3.817 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.462 1.011 2.138 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.019 2.431 1.888 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.883 1.051 0.817 1.00 15.00 H new ATOM 814 N ARG A 57 -5.032 -1.344 1.493 1.00 15.00 N ATOM 815 CA ARG A 57 -4.872 -2.769 1.225 1.00 15.00 C ATOM 816 C ARG A 57 -4.101 -2.988 -0.071 1.00 15.00 C ATOM 817 O ARG A 57 -4.694 -3.150 -1.138 1.00 15.00 O ATOM 818 CB ARG A 57 -6.241 -3.448 1.140 1.00 15.00 C ATOM 819 CG ARG A 57 -6.289 -4.809 1.815 1.00 15.00 C ATOM 820 CD ARG A 57 -6.055 -5.935 0.820 1.00 15.00 C ATOM 821 NE ARG A 57 -7.042 -7.002 0.960 1.00 15.00 N ATOM 822 CZ ARG A 57 -6.987 -7.945 1.898 1.00 15.00 C ATOM 823 NH1 ARG A 57 -5.994 -7.954 2.779 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.926 -8.879 1.956 1.00 15.00 N ATOM 0 H ARG A 57 -5.911 -0.950 1.157 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.306 -3.211 2.045 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.988 -2.799 1.597 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.516 -3.562 0.091 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.534 -4.853 2.600 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.258 -4.943 2.296 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -6.093 -5.537 -0.194 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -5.055 -6.345 0.964 1.00 15.00 H new ATOM 0 HE ARG A 57 -7.819 -7.026 0.300 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -5.270 -7.237 2.739 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -5.955 -8.678 3.496 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -8.691 -8.875 1.282 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -7.883 -9.601 2.675 1.00 15.00 H new ATOM 838 N VAL A 58 -2.775 -2.988 0.025 1.00 15.00 N ATOM 839 CA VAL A 58 -1.930 -3.183 -1.146 1.00 15.00 C ATOM 840 C VAL A 58 -1.841 -4.662 -1.515 1.00 15.00 C ATOM 841 O VAL A 58 -1.348 -5.484 -0.735 1.00 15.00 O ATOM 842 CB VAL A 58 -0.514 -2.591 -0.935 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.590 -1.293 -0.142 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.412 -3.585 -0.245 1.00 15.00 C ATOM 0 H VAL A 58 -2.265 -2.856 0.898 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.395 -2.647 -1.973 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.096 -2.377 -1.919 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.414 -0.892 -0.004 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.198 -0.570 -0.685 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.040 -1.487 0.831 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.396 -3.135 -0.114 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.001 -3.849 0.729 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.502 -4.483 -0.856 1.00 15.00 H new ATOM 854 N LEU A 59 -2.347 -4.995 -2.700 1.00 15.00 N ATOM 855 CA LEU A 59 -2.346 -6.376 -3.173 1.00 15.00 C ATOM 856 C LEU A 59 -1.321 -6.609 -4.283 1.00 15.00 C ATOM 857 O LEU A 59 -0.972 -7.752 -4.575 1.00 15.00 O ATOM 858 CB LEU A 59 -3.740 -6.766 -3.668 1.00 15.00 C ATOM 859 CG LEU A 59 -4.845 -6.728 -2.610 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.077 -7.469 -3.105 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.354 -7.325 -1.298 1.00 15.00 C ATOM 0 H LEU A 59 -2.763 -4.327 -3.350 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.065 -7.004 -2.327 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.018 -6.098 -4.484 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.692 -7.773 -4.083 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.115 -5.687 -2.431 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.854 -7.433 -2.342 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.443 -6.998 -4.017 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.818 -8.508 -3.311 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.155 -7.288 -0.559 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.056 -8.361 -1.459 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.500 -6.754 -0.935 1.00 15.00 H new ATOM 873 N ALA A 60 -0.857 -5.537 -4.919 1.00 15.00 N ATOM 874 CA ALA A 60 0.106 -5.670 -6.009 1.00 15.00 C ATOM 875 C ALA A 60 1.068 -4.488 -6.082 1.00 15.00 C ATOM 876 O ALA A 60 0.718 -3.358 -5.742 1.00 15.00 O ATOM 877 CB ALA A 60 -0.629 -5.828 -7.331 1.00 15.00 C ATOM 0 H ALA A 60 -1.128 -4.578 -4.703 1.00 15.00 H new ATOM 0 HA ALA A 60 0.704 -6.559 -5.810 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.095 -5.927 -8.140 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.256 -6.719 -7.294 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.253 -4.952 -7.507 1.00 15.00 H new ATOM 883 N VAL A 61 2.279 -4.769 -6.553 1.00 15.00 N ATOM 884 CA VAL A 61 3.316 -3.756 -6.713 1.00 15.00 C ATOM 885 C VAL A 61 4.045 -3.993 -8.022 1.00 15.00 C ATOM 886 O VAL A 61 4.870 -4.900 -8.126 1.00 15.00 O ATOM 887 CB VAL A 61 4.334 -3.781 -5.559 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.255 -2.573 -5.633 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.622 -3.842 -4.216 1.00 15.00 C ATOM 0 H VAL A 61 2.569 -5.706 -6.834 1.00 15.00 H new ATOM 0 HA VAL A 61 2.831 -2.780 -6.709 1.00 15.00 H new ATOM 0 HB VAL A 61 4.944 -4.679 -5.657 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.968 -2.608 -4.809 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.794 -2.584 -6.580 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.664 -1.660 -5.563 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.360 -3.859 -3.414 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.983 -2.966 -4.103 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.013 -4.745 -4.168 1.00 15.00 H new ATOM 899 N ASN A 62 3.708 -3.203 -9.034 1.00 15.00 N ATOM 900 CA ASN A 62 4.307 -3.365 -10.348 1.00 15.00 C ATOM 901 C ASN A 62 3.901 -4.719 -10.935 1.00 15.00 C ATOM 902 O ASN A 62 4.498 -5.196 -11.900 1.00 15.00 O ATOM 903 CB ASN A 62 5.832 -3.249 -10.269 1.00 15.00 C ATOM 904 CG ASN A 62 6.304 -1.809 -10.341 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.201 -1.476 -11.115 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.702 -0.945 -9.530 1.00 15.00 N ATOM 0 H ASN A 62 3.026 -2.448 -8.968 1.00 15.00 H new ATOM 0 HA ASN A 62 3.944 -2.570 -11.000 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.181 -3.697 -9.339 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.280 -3.817 -11.084 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.979 0.037 -9.534 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.963 -1.263 -8.904 1.00 15.00 H new ATOM 913 N GLY A 63 2.870 -5.327 -10.338 1.00 15.00 N ATOM 914 CA GLY A 63 2.380 -6.612 -10.800 1.00 15.00 C ATOM 915 C GLY A 63 2.734 -7.763 -9.874 1.00 15.00 C ATOM 916 O GLY A 63 2.460 -8.920 -10.190 1.00 15.00 O ATOM 0 H GLY A 63 2.366 -4.945 -9.538 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.296 -6.562 -10.907 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.789 -6.813 -11.790 1.00 15.00 H new ATOM 920 N VAL A 64 3.333 -7.455 -8.726 1.00 15.00 N ATOM 921 CA VAL A 64 3.703 -8.491 -7.767 1.00 15.00 C ATOM 922 C VAL A 64 2.607 -8.685 -6.717 1.00 15.00 C ATOM 923 O VAL A 64 2.416 -7.846 -5.838 1.00 15.00 O ATOM 924 CB VAL A 64 5.049 -8.175 -7.076 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.897 -7.070 -6.043 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.628 -9.430 -6.441 1.00 15.00 C ATOM 0 H VAL A 64 3.570 -6.505 -8.440 1.00 15.00 H new ATOM 0 HA VAL A 64 3.820 -9.418 -8.328 1.00 15.00 H new ATOM 0 HB VAL A 64 5.742 -7.820 -7.839 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.862 -6.873 -5.576 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.538 -6.164 -6.530 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.182 -7.380 -5.281 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.576 -9.190 -5.959 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.931 -9.817 -5.698 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.793 -10.184 -7.211 1.00 15.00 H new ATOM 936 N SER A 65 1.887 -9.796 -6.819 1.00 15.00 N ATOM 937 CA SER A 65 0.808 -10.099 -5.884 1.00 15.00 C ATOM 938 C SER A 65 1.317 -10.116 -4.446 1.00 15.00 C ATOM 939 O SER A 65 2.363 -10.694 -4.153 1.00 15.00 O ATOM 940 CB SER A 65 0.171 -11.446 -6.227 1.00 15.00 C ATOM 941 OG SER A 65 0.126 -11.647 -7.629 1.00 15.00 O ATOM 0 H SER A 65 2.030 -10.503 -7.540 1.00 15.00 H new ATOM 0 HA SER A 65 0.056 -9.315 -5.973 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.739 -12.250 -5.759 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.838 -11.489 -5.818 1.00 15.00 H new ATOM 0 HG SER A 65 -0.284 -12.516 -7.822 1.00 15.00 H new ATOM 947 N LEU A 66 0.567 -9.477 -3.555 1.00 15.00 N ATOM 948 CA LEU A 66 0.935 -9.414 -2.147 1.00 15.00 C ATOM 949 C LEU A 66 0.192 -10.472 -1.335 1.00 15.00 C ATOM 950 O LEU A 66 0.617 -10.836 -0.239 1.00 15.00 O ATOM 951 CB LEU A 66 0.639 -8.022 -1.584 1.00 15.00 C ATOM 952 CG LEU A 66 1.674 -7.493 -0.591 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.793 -8.427 0.604 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.025 -7.317 -1.272 1.00 15.00 C ATOM 0 H LEU A 66 -0.302 -8.994 -3.785 1.00 15.00 H new ATOM 0 HA LEU A 66 2.004 -9.613 -2.070 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.562 -7.320 -2.414 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.334 -8.044 -1.094 1.00 15.00 H new ATOM 0 HG LEU A 66 1.342 -6.519 -0.232 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.534 -8.034 1.300 1.00 15.00 H new ATOM 0 HD12 LEU A 66 0.828 -8.501 1.105 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.102 -9.415 0.264 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.750 -6.940 -0.551 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.365 -8.277 -1.660 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.928 -6.608 -2.094 1.00 15.00 H new ATOM 966 N GLU A 67 -0.922 -10.962 -1.879 1.00 15.00 N ATOM 967 CA GLU A 67 -1.727 -11.979 -1.203 1.00 15.00 C ATOM 968 C GLU A 67 -0.847 -13.092 -0.639 1.00 15.00 C ATOM 969 O GLU A 67 -0.259 -13.872 -1.388 1.00 15.00 O ATOM 970 CB GLU A 67 -2.759 -12.565 -2.169 1.00 15.00 C ATOM 971 CG GLU A 67 -4.195 -12.229 -1.802 1.00 15.00 C ATOM 972 CD GLU A 67 -4.953 -13.423 -1.255 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.800 -13.723 -0.053 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.701 -14.057 -2.030 1.00 15.00 O ATOM 0 H GLU A 67 -1.287 -10.671 -2.786 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.246 -11.501 -0.372 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.554 -12.196 -3.174 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.644 -13.649 -2.197 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.199 -11.430 -1.060 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.712 -11.848 -2.683 1.00 15.00 H new ATOM 981 N GLY A 68 -0.760 -13.155 0.686 1.00 15.00 N ATOM 982 CA GLY A 68 0.052 -14.170 1.329 1.00 15.00 C ATOM 983 C GLY A 68 1.421 -13.648 1.719 1.00 15.00 C ATOM 984 O GLY A 68 2.439 -14.105 1.199 1.00 15.00 O ATOM 0 H GLY A 68 -1.238 -12.520 1.326 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.462 -14.535 2.218 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.167 -15.020 0.656 1.00 15.00 H new ATOM 988 N ALA A 69 1.445 -12.684 2.633 1.00 15.00 N ATOM 989 CA ALA A 69 2.696 -12.094 3.089 1.00 15.00 C ATOM 990 C ALA A 69 2.461 -11.138 4.256 1.00 15.00 C ATOM 991 O ALA A 69 1.327 -10.762 4.546 1.00 15.00 O ATOM 992 CB ALA A 69 3.380 -11.373 1.938 1.00 15.00 C ATOM 0 H ALA A 69 0.611 -12.295 3.072 1.00 15.00 H new ATOM 0 HA ALA A 69 3.345 -12.896 3.441 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.315 -10.935 2.287 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.589 -12.082 1.137 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.727 -10.585 1.563 1.00 15.00 H new ATOM 998 N THR A 70 3.542 -10.753 4.925 1.00 15.00 N ATOM 999 CA THR A 70 3.457 -9.845 6.065 1.00 15.00 C ATOM 1000 C THR A 70 3.656 -8.393 5.634 1.00 15.00 C ATOM 1001 O THR A 70 3.726 -8.088 4.444 1.00 15.00 O ATOM 1002 CB THR A 70 4.509 -10.215 7.110 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.796 -9.793 6.692 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.579 -11.701 7.388 1.00 15.00 C ATOM 0 H THR A 70 4.489 -11.056 4.698 1.00 15.00 H new ATOM 0 HA THR A 70 2.461 -9.943 6.496 1.00 15.00 H new ATOM 0 HB THR A 70 4.203 -9.707 8.024 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.457 -10.036 7.373 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.345 -11.895 8.138 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.614 -12.048 7.757 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.828 -12.232 6.469 1.00 15.00 H new ATOM 1012 N HIS A 71 3.748 -7.505 6.621 1.00 15.00 N ATOM 1013 CA HIS A 71 3.943 -6.082 6.368 1.00 15.00 C ATOM 1014 C HIS A 71 5.282 -5.839 5.683 1.00 15.00 C ATOM 1015 O HIS A 71 5.340 -5.298 4.579 1.00 15.00 O ATOM 1016 CB HIS A 71 3.847 -5.305 7.693 1.00 15.00 C ATOM 1017 CG HIS A 71 4.898 -4.252 7.895 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.637 -4.145 9.054 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.321 -3.250 7.089 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.467 -3.123 8.953 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.297 -2.563 7.770 1.00 15.00 N ATOM 0 H HIS A 71 3.690 -7.750 7.610 1.00 15.00 H new ATOM 0 HA HIS A 71 3.161 -5.725 5.698 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.867 -4.832 7.748 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.905 -6.016 8.517 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.555 -4.760 9.864 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.959 -3.031 6.095 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.166 -2.800 9.710 1.00 15.00 H new ATOM 1030 N LYS A 72 6.354 -6.248 6.347 1.00 15.00 N ATOM 1031 CA LYS A 72 7.698 -6.084 5.807 1.00 15.00 C ATOM 1032 C LYS A 72 7.784 -6.657 4.400 1.00 15.00 C ATOM 1033 O LYS A 72 8.541 -6.167 3.566 1.00 15.00 O ATOM 1034 CB LYS A 72 8.716 -6.771 6.715 1.00 15.00 C ATOM 1035 CG LYS A 72 10.157 -6.438 6.371 1.00 15.00 C ATOM 1036 CD LYS A 72 11.122 -7.453 6.962 1.00 15.00 C ATOM 1037 CE LYS A 72 11.051 -8.782 6.227 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.062 -8.869 5.136 1.00 15.00 N ATOM 0 H LYS A 72 6.320 -6.697 7.262 1.00 15.00 H new ATOM 0 HA LYS A 72 7.924 -5.019 5.761 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.522 -6.483 7.748 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.576 -7.850 6.653 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.276 -6.410 5.288 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.400 -5.443 6.744 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.138 -7.062 6.912 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.890 -7.606 8.016 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.209 -9.597 6.934 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.053 -8.912 5.808 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.593 -9.142 4.249 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.522 -7.944 5.014 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.778 -9.582 5.382 1.00 15.00 H new ATOM 1052 N GLN A 73 6.996 -7.693 4.139 1.00 15.00 N ATOM 1053 CA GLN A 73 6.984 -8.316 2.824 1.00 15.00 C ATOM 1054 C GLN A 73 6.590 -7.292 1.768 1.00 15.00 C ATOM 1055 O GLN A 73 7.311 -7.082 0.793 1.00 15.00 O ATOM 1056 CB GLN A 73 6.016 -9.498 2.798 1.00 15.00 C ATOM 1057 CG GLN A 73 6.528 -10.678 1.990 1.00 15.00 C ATOM 1058 CD GLN A 73 6.648 -11.944 2.816 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.664 -12.432 3.371 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.859 -12.483 2.902 1.00 15.00 N ATOM 0 H GLN A 73 6.361 -8.116 4.816 1.00 15.00 H new ATOM 0 HA GLN A 73 7.985 -8.686 2.605 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.823 -9.823 3.820 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.063 -9.169 2.383 1.00 15.00 H new ATOM 0 HG2 GLN A 73 5.855 -10.858 1.152 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.502 -10.430 1.569 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.647 -12.045 2.425 1.00 15.00 H new ATOM 0 HE22 GLN A 73 8.001 -13.335 3.445 1.00 15.00 H new ATOM 1069 N ALA A 74 5.452 -6.638 1.981 1.00 15.00 N ATOM 1070 CA ALA A 74 4.985 -5.616 1.056 1.00 15.00 C ATOM 1071 C ALA A 74 5.926 -4.424 1.086 1.00 15.00 C ATOM 1072 O ALA A 74 6.306 -3.895 0.043 1.00 15.00 O ATOM 1073 CB ALA A 74 3.575 -5.181 1.394 1.00 15.00 C ATOM 0 H ALA A 74 4.841 -6.798 2.782 1.00 15.00 H new ATOM 0 HA ALA A 74 4.975 -6.039 0.051 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.251 -4.417 0.687 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.905 -6.039 1.334 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.552 -4.774 2.405 1.00 15.00 H new ATOM 1079 N VAL A 75 6.322 -4.024 2.295 1.00 15.00 N ATOM 1080 CA VAL A 75 7.253 -2.914 2.471 1.00 15.00 C ATOM 1081 C VAL A 75 8.363 -3.027 1.440 1.00 15.00 C ATOM 1082 O VAL A 75 8.767 -2.044 0.821 1.00 15.00 O ATOM 1083 CB VAL A 75 7.840 -2.923 3.905 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.333 -3.235 3.912 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.570 -1.609 4.611 1.00 15.00 C ATOM 0 H VAL A 75 6.011 -4.454 3.166 1.00 15.00 H new ATOM 0 HA VAL A 75 6.724 -1.971 2.330 1.00 15.00 H new ATOM 0 HB VAL A 75 7.336 -3.722 4.449 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.701 -3.230 4.938 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.502 -4.217 3.470 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.865 -2.481 3.333 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.992 -1.642 5.615 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.029 -0.794 4.051 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.494 -1.445 4.675 1.00 15.00 H new ATOM 1095 N GLU A 76 8.822 -4.254 1.248 1.00 15.00 N ATOM 1096 CA GLU A 76 9.857 -4.538 0.276 1.00 15.00 C ATOM 1097 C GLU A 76 9.331 -4.311 -1.139 1.00 15.00 C ATOM 1098 O GLU A 76 10.007 -3.709 -1.966 1.00 15.00 O ATOM 1099 CB GLU A 76 10.354 -5.976 0.433 1.00 15.00 C ATOM 1100 CG GLU A 76 10.955 -6.265 1.800 1.00 15.00 C ATOM 1101 CD GLU A 76 10.918 -7.739 2.154 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.701 -8.512 1.562 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.107 -8.120 3.024 1.00 15.00 O ATOM 0 H GLU A 76 8.489 -5.072 1.758 1.00 15.00 H new ATOM 0 HA GLU A 76 10.693 -3.860 0.450 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.524 -6.660 0.258 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.101 -6.179 -0.334 1.00 15.00 H new ATOM 0 HG2 GLU A 76 11.988 -5.916 1.820 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.413 -5.699 2.558 1.00 15.00 H new ATOM 1110 N THR A 77 8.117 -4.794 -1.414 1.00 15.00 N ATOM 1111 CA THR A 77 7.519 -4.628 -2.737 1.00 15.00 C ATOM 1112 C THR A 77 7.272 -3.156 -3.059 1.00 15.00 C ATOM 1113 O THR A 77 7.727 -2.656 -4.087 1.00 15.00 O ATOM 1114 CB THR A 77 6.216 -5.416 -2.852 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.293 -5.020 -1.855 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.409 -6.912 -2.736 1.00 15.00 C ATOM 0 H THR A 77 7.535 -5.298 -0.745 1.00 15.00 H new ATOM 0 HA THR A 77 8.230 -5.021 -3.464 1.00 15.00 H new ATOM 0 HB THR A 77 5.834 -5.192 -3.848 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.756 -4.493 -1.171 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.444 -7.411 -2.826 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.071 -7.256 -3.530 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.850 -7.148 -1.768 1.00 15.00 H new ATOM 1124 N LEU A 78 6.554 -2.461 -2.175 1.00 15.00 N ATOM 1125 CA LEU A 78 6.261 -1.043 -2.384 1.00 15.00 C ATOM 1126 C LEU A 78 7.551 -0.280 -2.628 1.00 15.00 C ATOM 1127 O LEU A 78 7.661 0.507 -3.569 1.00 15.00 O ATOM 1128 CB LEU A 78 5.540 -0.443 -1.170 1.00 15.00 C ATOM 1129 CG LEU A 78 4.513 -1.351 -0.492 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.824 -0.615 0.647 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.491 -1.853 -1.502 1.00 15.00 C ATOM 0 H LEU A 78 6.168 -2.853 -1.316 1.00 15.00 H new ATOM 0 HA LEU A 78 5.609 -0.958 -3.253 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.289 -0.157 -0.431 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.037 0.471 -1.485 1.00 15.00 H new ATOM 0 HG LEU A 78 5.036 -2.214 -0.079 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.096 -1.275 1.119 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.566 -0.308 1.383 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.315 0.266 0.256 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.769 -2.497 -1.000 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.972 -1.004 -1.947 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.999 -2.418 -2.284 1.00 15.00 H new ATOM 1143 N ARG A 79 8.527 -0.533 -1.771 1.00 15.00 N ATOM 1144 CA ARG A 79 9.826 0.105 -1.872 1.00 15.00 C ATOM 1145 C ARG A 79 10.572 -0.385 -3.112 1.00 15.00 C ATOM 1146 O ARG A 79 10.922 0.401 -3.992 1.00 15.00 O ATOM 1147 CB ARG A 79 10.637 -0.192 -0.610 1.00 15.00 C ATOM 1148 CG ARG A 79 11.633 0.899 -0.251 1.00 15.00 C ATOM 1149 CD ARG A 79 12.585 0.446 0.844 1.00 15.00 C ATOM 1150 NE ARG A 79 13.834 -0.083 0.301 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.847 0.679 -0.107 1.00 15.00 C ATOM 1152 NH1 ARG A 79 14.759 2.001 -0.042 1.00 15.00 N ATOM 1153 NH2 ARG A 79 15.950 0.116 -0.581 1.00 15.00 N ATOM 0 H ARG A 79 8.440 -1.183 -0.990 1.00 15.00 H new ATOM 0 HA ARG A 79 9.687 1.182 -1.966 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.952 -0.335 0.226 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.174 -1.131 -0.747 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.203 1.179 -1.137 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.096 1.789 0.077 1.00 15.00 H new ATOM 0 HD2 ARG A 79 12.804 1.285 1.504 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.101 -0.319 1.451 1.00 15.00 H new ATOM 0 HE ARG A 79 13.936 -1.095 0.230 1.00 15.00 H new ATOM 0 HH11 ARG A 79 13.912 2.438 0.322 1.00 15.00 H new ATOM 0 HH12 ARG A 79 15.538 2.580 -0.356 1.00 15.00 H new ATOM 0 HH21 ARG A 79 16.022 -0.900 -0.633 1.00 15.00 H new ATOM 0 HH22 ARG A 79 16.726 0.699 -0.894 1.00 15.00 H new ATOM 1167 N ASN A 80 10.812 -1.692 -3.166 1.00 15.00 N ATOM 1168 CA ASN A 80 11.518 -2.315 -4.286 1.00 15.00 C ATOM 1169 C ASN A 80 10.728 -2.233 -5.595 1.00 15.00 C ATOM 1170 O ASN A 80 10.435 -3.259 -6.210 1.00 15.00 O ATOM 1171 CB ASN A 80 11.818 -3.781 -3.966 1.00 15.00 C ATOM 1172 CG ASN A 80 12.606 -3.944 -2.680 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.457 -3.118 -2.351 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.326 -5.015 -1.947 1.00 15.00 N ATOM 0 H ASN A 80 10.525 -2.348 -2.440 1.00 15.00 H new ATOM 0 HA ASN A 80 12.446 -1.761 -4.424 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.881 -4.332 -3.887 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.378 -4.222 -4.790 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.825 -5.179 -1.072 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.612 -5.674 -2.258 1.00 15.00 H new ATOM 1181 N THR A 81 10.401 -1.023 -6.035 1.00 15.00 N ATOM 1182 CA THR A 81 9.670 -0.853 -7.286 1.00 15.00 C ATOM 1183 C THR A 81 10.648 -0.579 -8.426 1.00 15.00 C ATOM 1184 O THR A 81 10.879 -1.438 -9.277 1.00 15.00 O ATOM 1185 CB THR A 81 8.643 0.277 -7.173 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.814 0.994 -5.963 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.210 -0.212 -7.219 1.00 15.00 C ATOM 0 H THR A 81 10.627 -0.154 -5.551 1.00 15.00 H new ATOM 0 HA THR A 81 9.128 -1.775 -7.498 1.00 15.00 H new ATOM 0 HB THR A 81 8.821 0.917 -8.037 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.254 0.595 -5.265 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.533 0.638 -7.134 1.00 15.00 H new ATOM 0 HG22 THR A 81 7.031 -0.726 -8.163 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.034 -0.900 -6.392 1.00 15.00 H new ATOM 1195 N GLY A 82 11.236 0.615 -8.426 1.00 15.00 N ATOM 1196 CA GLY A 82 12.197 0.966 -9.451 1.00 15.00 C ATOM 1197 C GLY A 82 11.802 2.191 -10.250 1.00 15.00 C ATOM 1198 O GLY A 82 11.935 3.322 -9.782 1.00 15.00 O ATOM 0 H GLY A 82 11.062 1.343 -7.734 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.167 1.142 -8.985 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.318 0.122 -10.130 1.00 15.00 H new ATOM 1202 N GLN A 83 11.336 1.955 -11.467 1.00 15.00 N ATOM 1203 CA GLN A 83 10.935 3.036 -12.367 1.00 15.00 C ATOM 1204 C GLN A 83 9.734 3.815 -11.831 1.00 15.00 C ATOM 1205 O GLN A 83 9.891 4.880 -11.235 1.00 15.00 O ATOM 1206 CB GLN A 83 10.626 2.490 -13.769 1.00 15.00 C ATOM 1207 CG GLN A 83 10.043 1.083 -13.779 1.00 15.00 C ATOM 1208 CD GLN A 83 8.961 0.908 -14.826 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.806 1.274 -14.609 1.00 15.00 O ATOM 1210 NE2 GLN A 83 9.330 0.344 -15.970 1.00 15.00 N ATOM 0 H GLN A 83 11.224 1.020 -11.860 1.00 15.00 H new ATOM 0 HA GLN A 83 11.776 3.726 -12.430 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.926 3.164 -14.263 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.543 2.495 -14.358 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.841 0.364 -13.963 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.631 0.857 -12.795 1.00 15.00 H new ATOM 0 HE21 GLN A 83 10.299 0.056 -16.107 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.645 0.199 -16.712 1.00 15.00 H new ATOM 1219 N VAL A 84 8.535 3.289 -12.065 1.00 15.00 N ATOM 1220 CA VAL A 84 7.309 3.942 -11.624 1.00 15.00 C ATOM 1221 C VAL A 84 6.649 3.168 -10.486 1.00 15.00 C ATOM 1222 O VAL A 84 6.890 1.974 -10.305 1.00 15.00 O ATOM 1223 CB VAL A 84 6.315 4.093 -12.796 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.966 4.613 -12.317 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.893 5.015 -13.858 1.00 15.00 C ATOM 0 H VAL A 84 8.388 2.409 -12.559 1.00 15.00 H new ATOM 0 HA VAL A 84 7.580 4.933 -11.259 1.00 15.00 H new ATOM 0 HB VAL A 84 6.155 3.107 -13.231 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.290 4.708 -13.167 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.544 3.916 -11.593 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.098 5.588 -11.848 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.183 5.114 -14.679 1.00 15.00 H new ATOM 0 HG22 VAL A 84 7.084 5.996 -13.423 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.827 4.597 -14.234 1.00 15.00 H new ATOM 1235 N VAL A 85 5.810 3.856 -9.726 1.00 15.00 N ATOM 1236 CA VAL A 85 5.114 3.240 -8.611 1.00 15.00 C ATOM 1237 C VAL A 85 3.701 2.830 -9.023 1.00 15.00 C ATOM 1238 O VAL A 85 2.730 3.543 -8.766 1.00 15.00 O ATOM 1239 CB VAL A 85 5.067 4.206 -7.403 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.956 3.842 -6.430 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.413 4.230 -6.694 1.00 15.00 C ATOM 0 H VAL A 85 5.596 4.844 -9.863 1.00 15.00 H new ATOM 0 HA VAL A 85 5.660 2.344 -8.316 1.00 15.00 H new ATOM 0 HB VAL A 85 4.850 5.203 -7.785 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.958 4.545 -5.597 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.995 3.888 -6.942 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.119 2.832 -6.053 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.366 4.914 -5.846 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.655 3.228 -6.339 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.184 4.565 -7.388 1.00 15.00 H new ATOM 1251 N HIS A 86 3.600 1.670 -9.666 1.00 15.00 N ATOM 1252 CA HIS A 86 2.312 1.150 -10.116 1.00 15.00 C ATOM 1253 C HIS A 86 1.788 0.111 -9.131 1.00 15.00 C ATOM 1254 O HIS A 86 1.961 -1.092 -9.329 1.00 15.00 O ATOM 1255 CB HIS A 86 2.446 0.531 -11.508 1.00 15.00 C ATOM 1256 CG HIS A 86 1.186 0.594 -12.315 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.046 0.882 -11.766 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.971 0.406 -13.639 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -0.964 0.867 -12.717 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.372 0.581 -13.862 1.00 15.00 N ATOM 0 H HIS A 86 4.396 1.071 -9.887 1.00 15.00 H new ATOM 0 HA HIS A 86 1.603 1.977 -10.166 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.241 1.044 -12.050 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.751 -0.511 -11.406 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.717 0.164 -14.381 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.018 1.056 -12.581 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.837 0.503 -14.766 1.00 15.00 H new ATOM 1269 N LEU A 87 1.165 0.586 -8.059 1.00 15.00 N ATOM 1270 CA LEU A 87 0.635 -0.297 -7.028 1.00 15.00 C ATOM 1271 C LEU A 87 -0.882 -0.435 -7.116 1.00 15.00 C ATOM 1272 O LEU A 87 -1.614 0.538 -6.950 1.00 15.00 O ATOM 1273 CB LEU A 87 1.023 0.234 -5.646 1.00 15.00 C ATOM 1274 CG LEU A 87 1.965 -0.666 -4.852 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.110 0.144 -4.262 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.202 -1.392 -3.756 1.00 15.00 C ATOM 0 H LEU A 87 1.015 1.579 -7.881 1.00 15.00 H new ATOM 0 HA LEU A 87 1.067 -1.285 -7.186 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.493 1.210 -5.767 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.114 0.388 -5.064 1.00 15.00 H new ATOM 0 HG LEU A 87 2.387 -1.408 -5.529 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.771 -0.516 -3.700 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.671 0.620 -5.066 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.710 0.909 -3.597 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.887 -2.030 -3.198 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.753 -0.663 -3.081 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.418 -2.004 -4.202 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.348 -1.658 -7.341 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.779 -1.928 -7.409 1.00 15.00 C ATOM 1290 C LEU A 88 -3.262 -2.405 -6.045 1.00 15.00 C ATOM 1291 O LEU A 88 -3.042 -3.556 -5.665 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.086 -2.979 -8.481 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.339 -2.811 -9.811 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.232 -1.343 -10.199 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -0.957 -3.446 -9.734 1.00 15.00 C ATOM 0 H LEU A 88 -0.756 -2.477 -7.479 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.302 -1.011 -7.682 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.852 -3.964 -8.076 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.157 -2.964 -8.683 1.00 15.00 H new ATOM 0 HG LEU A 88 -2.912 -3.322 -10.584 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.698 -1.255 -11.145 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.231 -0.921 -10.305 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.690 -0.801 -9.425 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.443 -3.316 -10.687 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.380 -2.967 -8.943 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -1.057 -4.510 -9.518 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.889 -1.506 -5.298 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.368 -1.826 -3.958 1.00 15.00 C ATOM 1309 C LEU A 89 -5.875 -2.032 -3.923 1.00 15.00 C ATOM 1310 O LEU A 89 -6.526 -2.186 -4.956 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.995 -0.710 -2.977 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.933 0.263 -3.471 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.880 1.488 -2.579 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.585 -0.423 -3.519 1.00 15.00 C ATOM 0 H LEU A 89 -4.078 -0.549 -5.596 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.887 -2.759 -3.665 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.896 -0.146 -2.734 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.644 -1.165 -2.051 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.194 0.588 -4.478 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.116 2.173 -2.946 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.849 1.987 -2.588 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.637 1.186 -1.560 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.831 0.280 -3.873 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.317 -0.769 -2.521 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.634 -1.275 -4.197 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.416 -2.014 -2.710 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.845 -2.178 -2.493 1.00 15.00 C ATOM 1328 C GLU A 90 -8.317 -1.216 -1.407 1.00 15.00 C ATOM 1329 O GLU A 90 -7.627 -1.007 -0.409 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.164 -3.633 -2.116 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.232 -3.787 -1.041 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.560 -5.239 -0.751 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -8.715 -6.110 -1.049 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.661 -5.505 -0.226 1.00 15.00 O ATOM 0 H GLU A 90 -5.877 -1.886 -1.854 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.376 -1.945 -3.416 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.488 -4.164 -3.011 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.249 -4.115 -1.773 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.892 -3.305 -0.124 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.138 -3.269 -1.357 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.489 -0.627 -1.609 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.042 0.317 -0.647 1.00 15.00 C ATOM 1343 C LYS A 91 -10.064 -0.280 0.756 1.00 15.00 C ATOM 1344 O LYS A 91 -10.926 -1.095 1.085 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.449 0.735 -1.067 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.914 2.026 -0.415 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.360 3.245 -1.135 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.911 4.316 -0.154 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.485 5.562 -0.848 1.00 15.00 N ATOM 0 H LYS A 91 -10.074 -0.786 -2.429 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.401 1.199 -0.629 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.477 0.853 -2.150 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.148 -0.063 -0.815 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.003 2.064 -0.418 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.597 2.043 0.628 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.519 2.948 -1.761 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.122 3.654 -1.798 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.726 4.544 0.533 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.085 3.935 0.447 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -10.186 6.267 -0.144 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.690 5.350 -1.485 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.280 5.941 -1.401 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.101 0.130 1.575 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.012 -0.372 2.933 1.00 15.00 C ATOM 1365 C GLY A 92 -10.101 0.176 3.834 1.00 15.00 C ATOM 1366 O GLY A 92 -10.392 1.372 3.812 1.00 15.00 O ATOM 0 H GLY A 92 -8.378 0.803 1.321 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.073 -1.460 2.918 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.038 -0.113 3.348 1.00 15.00 H new ATOM 1370 N GLN A 93 -10.703 -0.702 4.630 1.00 15.00 N ATOM 1371 CA GLN A 93 -11.764 -0.301 5.547 1.00 15.00 C ATOM 1372 C GLN A 93 -11.181 0.185 6.870 1.00 15.00 C ATOM 1373 O GLN A 93 -9.970 0.135 7.081 1.00 15.00 O ATOM 1374 CB GLN A 93 -12.719 -1.470 5.797 1.00 15.00 C ATOM 1375 CG GLN A 93 -13.205 -2.141 4.523 1.00 15.00 C ATOM 1376 CD GLN A 93 -13.773 -3.524 4.772 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -14.350 -3.790 5.827 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -13.613 -4.414 3.800 1.00 15.00 N ATOM 0 H GLN A 93 -10.474 -1.696 4.658 1.00 15.00 H new ATOM 0 HA GLN A 93 -12.317 0.519 5.089 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -12.218 -2.211 6.420 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -13.580 -1.111 6.360 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -13.968 -1.518 4.057 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -12.378 -2.214 3.817 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -13.128 -4.151 2.942 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -13.975 -5.361 3.911 1.00 15.00 H new ATOM 1387 N SER A 94 -12.051 0.655 7.757 1.00 15.00 N ATOM 1388 CA SER A 94 -11.621 1.148 9.060 1.00 15.00 C ATOM 1389 C SER A 94 -11.616 0.024 10.093 1.00 15.00 C ATOM 1390 O SER A 94 -12.188 -1.042 9.865 1.00 15.00 O ATOM 1391 CB SER A 94 -12.536 2.282 9.527 1.00 15.00 C ATOM 1392 OG SER A 94 -12.006 3.546 9.170 1.00 15.00 O ATOM 0 H SER A 94 -13.057 0.705 7.598 1.00 15.00 H new ATOM 0 HA SER A 94 -10.605 1.529 8.959 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.525 2.161 9.085 1.00 15.00 H new ATOM 0 HB3 SER A 94 -12.662 2.230 10.608 1.00 15.00 H new ATOM 0 HG SER A 94 -12.610 4.253 9.478 1.00 15.00 H new ATOM 1398 N PRO A 95 -10.967 0.248 11.248 1.00 15.00 N ATOM 1399 CA PRO A 95 -10.890 -0.752 12.317 1.00 15.00 C ATOM 1400 C PRO A 95 -12.262 -1.302 12.694 1.00 15.00 C ATOM 1401 O PRO A 95 -12.503 -2.507 12.612 1.00 15.00 O ATOM 1402 CB PRO A 95 -10.284 0.025 13.488 1.00 15.00 C ATOM 1403 CG PRO A 95 -9.506 1.123 12.850 1.00 15.00 C ATOM 1404 CD PRO A 95 -10.258 1.493 11.601 1.00 15.00 C ATOM 0 HA PRO A 95 -10.306 -1.623 12.020 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -11.059 0.419 14.145 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -9.643 -0.613 14.097 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -9.417 1.978 13.520 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -8.493 0.797 12.613 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -10.952 2.314 11.778 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -9.584 1.811 10.806 1.00 15.00 H new ATOM 1412 N THR A 96 -13.158 -0.412 13.108 1.00 15.00 N ATOM 1413 CA THR A 96 -14.506 -0.807 13.497 1.00 15.00 C ATOM 1414 C THR A 96 -15.489 -0.590 12.351 1.00 15.00 C ATOM 1415 O THR A 96 -15.597 0.560 11.876 1.00 15.00 O ATOM 1416 CB THR A 96 -14.956 -0.018 14.727 1.00 15.00 C ATOM 1417 OG1 THR A 96 -16.344 -0.192 14.955 1.00 15.00 O ATOM 1418 CG2 THR A 96 -14.691 1.468 14.615 1.00 15.00 C ATOM 1419 OXT THR A 96 -16.142 -1.571 11.938 1.00 15.00 O ATOM 0 H THR A 96 -12.974 0.589 13.183 1.00 15.00 H new ATOM 0 HA THR A 96 -14.490 -1.869 13.741 1.00 15.00 H new ATOM 0 HB THR A 96 -14.368 -0.414 15.555 1.00 15.00 H new ATOM 0 HG1 THR A 96 -16.612 0.319 15.747 1.00 15.00 H new ATOM 0 HG21 THR A 96 -15.034 1.968 15.521 1.00 15.00 H new ATOM 0 HG22 THR A 96 -13.622 1.638 14.489 1.00 15.00 H new ATOM 0 HG23 THR A 96 -15.226 1.869 13.754 1.00 15.00 H new TER 1427 THR A 96