USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 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 Set 1.1: A 13 LYS NZ :NH3+ 178:sc= 0.214 (180deg=0) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0.206 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 16 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.48) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -112:sc= -2.98! USER MOD Single : A 27 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 36 TYR OH : rot 79:sc= -1.82 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.408 K(o=-0.41,f=-3.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0916 X(o=-0.092,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc=-0.00147 (180deg=-0.205) USER MOD Single : A 62 ASN : amide:sc= -4.81! C(o=-4.8!,f=-3.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.42! USER MOD Single : A 71 HIS : no HE2:sc= -6.05! C(o=-6.1!,f=-5.6!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 77 THR OG1 : rot 21:sc= -2.26! USER MOD Single : A 80 ASN : amide:sc= -2.67 K(o=-2.7,f=-1.8) USER MOD Single : A 81 THR OG1 : rot -91:sc= 0.318 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.17) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0937 X(o=-0.094,f=-0.43) 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 -22.618 2.990 -1.212 1.00 15.00 N ATOM 2 CA PRO A 1 -21.525 2.835 -0.214 1.00 15.00 C ATOM 3 C PRO A 1 -21.212 1.366 0.061 1.00 15.00 C ATOM 4 O PRO A 1 -21.805 0.749 0.946 1.00 15.00 O ATOM 5 CB PRO A 1 -21.970 3.534 1.068 1.00 15.00 C ATOM 6 CG PRO A 1 -23.391 3.906 0.812 1.00 15.00 C ATOM 7 CD PRO A 1 -23.539 4.013 -0.687 1.00 15.00 C ATOM 0 H2 PRO A 1 -23.105 2.105 -1.354 1.00 15.00 H new ATOM 0 H3 PRO A 1 -22.243 3.273 -2.117 1.00 15.00 H new ATOM 0 HA PRO A 1 -20.610 3.281 -0.603 1.00 15.00 H new ATOM 0 HB2 PRO A 1 -21.881 2.875 1.932 1.00 15.00 H new ATOM 0 HB3 PRO A 1 -21.360 4.413 1.274 1.00 15.00 H new ATOM 0 HG2 PRO A 1 -24.068 3.154 1.217 1.00 15.00 H new ATOM 0 HG3 PRO A 1 -23.638 4.851 1.295 1.00 15.00 H new ATOM 0 HD2 PRO A 1 -24.566 3.824 -1.001 1.00 15.00 H new ATOM 0 HD3 PRO A 1 -23.275 5.008 -1.044 1.00 15.00 H new ATOM 17 N LYS A 2 -20.276 0.813 -0.703 1.00 15.00 N ATOM 18 CA LYS A 2 -19.885 -0.582 -0.541 1.00 15.00 C ATOM 19 C LYS A 2 -18.417 -0.783 -0.916 1.00 15.00 C ATOM 20 O LYS A 2 -17.982 -0.367 -1.990 1.00 15.00 O ATOM 21 CB LYS A 2 -20.770 -1.484 -1.404 1.00 15.00 C ATOM 22 CG LYS A 2 -20.781 -1.099 -2.874 1.00 15.00 C ATOM 23 CD LYS A 2 -21.777 -1.934 -3.662 1.00 15.00 C ATOM 24 CE LYS A 2 -21.909 -1.440 -5.093 1.00 15.00 C ATOM 25 NZ LYS A 2 -21.008 -2.178 -6.021 1.00 15.00 N ATOM 0 H LYS A 2 -19.775 1.309 -1.440 1.00 15.00 H new ATOM 0 HA LYS A 2 -20.015 -0.851 0.507 1.00 15.00 H new ATOM 0 HB2 LYS A 2 -20.426 -2.514 -1.309 1.00 15.00 H new ATOM 0 HB3 LYS A 2 -21.790 -1.452 -1.021 1.00 15.00 H new ATOM 0 HG2 LYS A 2 -21.032 -0.043 -2.973 1.00 15.00 H new ATOM 0 HG3 LYS A 2 -19.783 -1.230 -3.293 1.00 15.00 H new ATOM 0 HD2 LYS A 2 -21.458 -2.976 -3.664 1.00 15.00 H new ATOM 0 HD3 LYS A 2 -22.750 -1.899 -3.173 1.00 15.00 H new ATOM 0 HE2 LYS A 2 -22.942 -1.554 -5.423 1.00 15.00 H new ATOM 0 HE3 LYS A 2 -21.678 -0.376 -5.132 1.00 15.00 H new ATOM 0 HZ1 LYS A 2 -21.128 -1.811 -6.987 1.00 15.00 H new ATOM 0 HZ2 LYS A 2 -20.020 -2.049 -5.722 1.00 15.00 H new ATOM 0 HZ3 LYS A 2 -21.245 -3.190 -6.003 1.00 15.00 H new ATOM 39 N PRO A 3 -17.629 -1.426 -0.035 1.00 15.00 N ATOM 40 CA PRO A 3 -16.206 -1.676 -0.287 1.00 15.00 C ATOM 41 C PRO A 3 -15.988 -2.727 -1.371 1.00 15.00 C ATOM 42 O PRO A 3 -16.878 -2.994 -2.177 1.00 15.00 O ATOM 43 CB PRO A 3 -15.690 -2.181 1.061 1.00 15.00 C ATOM 44 CG PRO A 3 -16.882 -2.775 1.726 1.00 15.00 C ATOM 45 CD PRO A 3 -18.061 -1.958 1.272 1.00 15.00 C ATOM 0 HA PRO A 3 -15.692 -0.785 -0.647 1.00 15.00 H new ATOM 0 HB2 PRO A 3 -14.900 -2.921 0.930 1.00 15.00 H new ATOM 0 HB3 PRO A 3 -15.270 -1.368 1.654 1.00 15.00 H new ATOM 0 HG2 PRO A 3 -17.003 -3.822 1.448 1.00 15.00 H new ATOM 0 HG3 PRO A 3 -16.780 -2.743 2.811 1.00 15.00 H new ATOM 0 HD2 PRO A 3 -18.960 -2.567 1.180 1.00 15.00 H new ATOM 0 HD3 PRO A 3 -18.289 -1.157 1.976 1.00 15.00 H new ATOM 53 N GLY A 4 -14.796 -3.314 -1.394 1.00 15.00 N ATOM 54 CA GLY A 4 -14.488 -4.321 -2.390 1.00 15.00 C ATOM 55 C GLY A 4 -13.843 -3.726 -3.624 1.00 15.00 C ATOM 56 O GLY A 4 -13.101 -4.404 -4.335 1.00 15.00 O ATOM 0 H GLY A 4 -14.039 -3.110 -0.741 1.00 15.00 H new ATOM 0 HA2 GLY A 4 -13.821 -5.066 -1.957 1.00 15.00 H new ATOM 0 HA3 GLY A 4 -15.403 -4.840 -2.675 1.00 15.00 H new ATOM 60 N ASP A 5 -14.125 -2.452 -3.875 1.00 15.00 N ATOM 61 CA ASP A 5 -13.563 -1.762 -5.030 1.00 15.00 C ATOM 62 C ASP A 5 -12.049 -1.704 -4.934 1.00 15.00 C ATOM 63 O ASP A 5 -11.487 -1.391 -3.885 1.00 15.00 O ATOM 64 CB ASP A 5 -14.140 -0.350 -5.144 1.00 15.00 C ATOM 65 CG ASP A 5 -14.123 0.390 -3.821 1.00 15.00 C ATOM 66 OD1 ASP A 5 -14.732 -0.111 -2.853 1.00 15.00 O ATOM 67 OD2 ASP A 5 -13.500 1.471 -3.753 1.00 15.00 O ATOM 0 H ASP A 5 -14.738 -1.878 -3.296 1.00 15.00 H new ATOM 0 HA ASP A 5 -13.832 -2.322 -5.926 1.00 15.00 H new ATOM 0 HB2 ASP A 5 -13.568 0.215 -5.880 1.00 15.00 H new ATOM 0 HB3 ASP A 5 -15.164 -0.408 -5.512 1.00 15.00 H new ATOM 72 N ILE A 6 -11.399 -2.025 -6.040 1.00 15.00 N ATOM 73 CA ILE A 6 -9.950 -2.035 -6.105 1.00 15.00 C ATOM 74 C ILE A 6 -9.420 -0.817 -6.859 1.00 15.00 C ATOM 75 O ILE A 6 -10.026 -0.361 -7.829 1.00 15.00 O ATOM 76 CB ILE A 6 -9.462 -3.328 -6.792 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.158 -4.401 -5.746 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.234 -3.069 -7.661 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.335 -4.724 -4.851 1.00 15.00 C ATOM 0 H ILE A 6 -11.859 -2.284 -6.913 1.00 15.00 H new ATOM 0 HA ILE A 6 -9.567 -1.997 -5.085 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.261 -3.683 -7.443 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.837 -5.311 -6.253 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.323 -4.069 -5.129 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -7.917 -4.001 -8.130 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.482 -2.340 -8.433 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.425 -2.681 -7.042 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.047 -5.493 -4.134 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.642 -3.826 -4.316 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.165 -5.087 -5.458 1.00 15.00 H new ATOM 91 N PHE A 7 -8.274 -0.312 -6.419 1.00 15.00 N ATOM 92 CA PHE A 7 -7.648 0.833 -7.066 1.00 15.00 C ATOM 93 C PHE A 7 -6.129 0.698 -7.033 1.00 15.00 C ATOM 94 O PHE A 7 -5.589 -0.128 -6.300 1.00 15.00 O ATOM 95 CB PHE A 7 -8.097 2.145 -6.409 1.00 15.00 C ATOM 96 CG PHE A 7 -7.399 2.466 -5.117 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.089 2.918 -5.114 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.058 2.326 -3.906 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.450 3.223 -3.929 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.423 2.628 -2.718 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.117 3.077 -2.729 1.00 15.00 C ATOM 0 H PHE A 7 -7.760 -0.677 -5.617 1.00 15.00 H new ATOM 0 HA PHE A 7 -7.967 0.856 -8.108 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -7.931 2.963 -7.110 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.170 2.096 -6.225 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.562 3.033 -6.050 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.080 1.977 -3.891 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.429 3.576 -3.941 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.947 2.513 -1.781 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.618 3.313 -1.801 1.00 15.00 H new ATOM 111 N GLU A 8 -5.445 1.498 -7.842 1.00 15.00 N ATOM 112 CA GLU A 8 -3.988 1.448 -7.915 1.00 15.00 C ATOM 113 C GLU A 8 -3.371 2.837 -7.782 1.00 15.00 C ATOM 114 O GLU A 8 -3.905 3.823 -8.289 1.00 15.00 O ATOM 115 CB GLU A 8 -3.561 0.833 -9.244 1.00 15.00 C ATOM 116 CG GLU A 8 -4.218 1.487 -10.443 1.00 15.00 C ATOM 117 CD GLU A 8 -4.157 0.628 -11.691 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.197 -0.613 -11.561 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.072 1.197 -12.800 1.00 15.00 O ATOM 0 H GLU A 8 -5.875 2.189 -8.457 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.633 0.836 -7.086 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.478 0.913 -9.343 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -3.803 -0.230 -9.240 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.260 1.703 -10.207 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.732 2.442 -10.641 1.00 15.00 H new ATOM 126 N VAL A 9 -2.226 2.890 -7.117 1.00 15.00 N ATOM 127 CA VAL A 9 -1.491 4.137 -6.926 1.00 15.00 C ATOM 128 C VAL A 9 -0.327 4.197 -7.905 1.00 15.00 C ATOM 129 O VAL A 9 0.570 3.356 -7.868 1.00 15.00 O ATOM 130 CB VAL A 9 -0.975 4.296 -5.468 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.049 2.976 -4.714 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.449 4.848 -5.436 1.00 15.00 C ATOM 0 H VAL A 9 -1.780 2.075 -6.696 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.178 4.962 -7.116 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.627 5.014 -4.970 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.682 3.117 -3.697 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.083 2.633 -4.682 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.435 2.232 -5.222 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.778 4.946 -4.401 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.115 4.167 -5.965 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.471 5.825 -5.918 1.00 15.00 H new ATOM 142 N GLU A 10 -0.357 5.178 -8.794 1.00 15.00 N ATOM 143 CA GLU A 10 0.688 5.319 -9.794 1.00 15.00 C ATOM 144 C GLU A 10 1.628 6.481 -9.490 1.00 15.00 C ATOM 145 O GLU A 10 1.579 7.520 -10.149 1.00 15.00 O ATOM 146 CB GLU A 10 0.057 5.495 -11.169 1.00 15.00 C ATOM 147 CG GLU A 10 1.069 5.636 -12.295 1.00 15.00 C ATOM 148 CD GLU A 10 0.483 6.300 -13.525 1.00 15.00 C ATOM 149 OE1 GLU A 10 0.489 7.548 -13.587 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.017 5.572 -14.427 1.00 15.00 O ATOM 0 H GLU A 10 -1.091 5.885 -8.843 1.00 15.00 H new ATOM 0 HA GLU A 10 1.290 4.410 -9.776 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.586 4.639 -11.376 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.582 6.378 -11.155 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.920 6.219 -11.943 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.447 4.650 -12.564 1.00 15.00 H new ATOM 157 N LEU A 11 2.502 6.288 -8.510 1.00 15.00 N ATOM 158 CA LEU A 11 3.476 7.310 -8.147 1.00 15.00 C ATOM 159 C LEU A 11 4.731 7.137 -8.995 1.00 15.00 C ATOM 160 O LEU A 11 4.903 6.108 -9.643 1.00 15.00 O ATOM 161 CB LEU A 11 3.826 7.221 -6.658 1.00 15.00 C ATOM 162 CG LEU A 11 4.056 8.564 -5.955 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.805 9.428 -6.013 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.483 8.341 -4.511 1.00 15.00 C ATOM 0 H LEU A 11 2.557 5.435 -7.953 1.00 15.00 H new ATOM 0 HA LEU A 11 3.044 8.293 -8.335 1.00 15.00 H new ATOM 0 HB2 LEU A 11 3.022 6.694 -6.144 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.725 6.615 -6.549 1.00 15.00 H new ATOM 0 HG LEU A 11 4.855 9.089 -6.477 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.993 10.375 -5.508 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.542 9.618 -7.054 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.982 8.911 -5.519 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.642 9.304 -4.026 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.704 7.793 -3.982 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.409 7.767 -4.490 1.00 15.00 H new ATOM 176 N ALA A 12 5.605 8.135 -9.000 1.00 15.00 N ATOM 177 CA ALA A 12 6.830 8.051 -9.789 1.00 15.00 C ATOM 178 C ALA A 12 8.003 7.579 -8.940 1.00 15.00 C ATOM 179 O ALA A 12 8.654 8.372 -8.260 1.00 15.00 O ATOM 180 CB ALA A 12 7.150 9.386 -10.436 1.00 15.00 C ATOM 0 H ALA A 12 5.493 9.002 -8.475 1.00 15.00 H new ATOM 0 HA ALA A 12 6.664 7.316 -10.576 1.00 15.00 H new ATOM 0 HB1 ALA A 12 8.067 9.298 -11.018 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.330 9.678 -11.092 1.00 15.00 H new ATOM 0 HB3 ALA A 12 7.283 10.143 -9.663 1.00 15.00 H new ATOM 186 N LYS A 13 8.264 6.279 -8.990 1.00 15.00 N ATOM 187 CA LYS A 13 9.356 5.681 -8.235 1.00 15.00 C ATOM 188 C LYS A 13 10.703 6.276 -8.646 1.00 15.00 C ATOM 189 O LYS A 13 11.653 6.291 -7.864 1.00 15.00 O ATOM 190 CB LYS A 13 9.362 4.168 -8.448 1.00 15.00 C ATOM 191 CG LYS A 13 9.851 3.386 -7.245 1.00 15.00 C ATOM 192 CD LYS A 13 11.275 3.762 -6.886 1.00 15.00 C ATOM 193 CE LYS A 13 11.314 4.709 -5.697 1.00 15.00 C ATOM 194 NZ LYS A 13 12.706 5.095 -5.338 1.00 15.00 N ATOM 0 H LYS A 13 7.730 5.615 -9.550 1.00 15.00 H new ATOM 0 HA LYS A 13 9.202 5.898 -7.178 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.353 3.841 -8.697 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.994 3.933 -9.305 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.197 3.576 -6.394 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.797 2.318 -7.456 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.844 2.861 -6.655 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.756 4.232 -7.744 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.737 5.605 -5.928 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.837 4.235 -4.840 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.686 5.767 -4.545 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.241 4.247 -5.060 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 13.165 5.541 -6.158 1.00 15.00 H new ATOM 208 N ASN A 14 10.778 6.768 -9.875 1.00 15.00 N ATOM 209 CA ASN A 14 12.009 7.359 -10.388 1.00 15.00 C ATOM 210 C ASN A 14 12.124 8.816 -9.960 1.00 15.00 C ATOM 211 O ASN A 14 13.205 9.284 -9.602 1.00 15.00 O ATOM 212 CB ASN A 14 12.048 7.266 -11.914 1.00 15.00 C ATOM 213 CG ASN A 14 12.586 5.937 -12.404 1.00 15.00 C ATOM 214 OD1 ASN A 14 13.426 5.316 -11.753 1.00 15.00 O ATOM 215 ND2 ASN A 14 12.102 5.495 -13.559 1.00 15.00 N ATOM 0 H ASN A 14 10.001 6.770 -10.536 1.00 15.00 H new ATOM 0 HA ASN A 14 12.850 6.803 -9.974 1.00 15.00 H new ATOM 0 HB2 ASN A 14 11.043 7.415 -12.309 1.00 15.00 H new ATOM 0 HB3 ASN A 14 12.668 8.072 -12.308 1.00 15.00 H new ATOM 0 HD21 ASN A 14 12.426 4.606 -13.941 1.00 15.00 H new ATOM 0 HD22 ASN A 14 11.406 6.044 -14.064 1.00 15.00 H new ATOM 222 N ASP A 15 11.003 9.528 -9.984 1.00 15.00 N ATOM 223 CA ASP A 15 10.987 10.926 -9.581 1.00 15.00 C ATOM 224 C ASP A 15 11.201 11.037 -8.076 1.00 15.00 C ATOM 225 O ASP A 15 11.879 11.945 -7.596 1.00 15.00 O ATOM 226 CB ASP A 15 9.661 11.581 -9.973 1.00 15.00 C ATOM 227 CG ASP A 15 9.838 13.014 -10.435 1.00 15.00 C ATOM 228 OD1 ASP A 15 10.703 13.716 -9.871 1.00 15.00 O ATOM 229 OD2 ASP A 15 9.110 13.434 -11.359 1.00 15.00 O ATOM 0 H ASP A 15 10.098 9.161 -10.277 1.00 15.00 H new ATOM 0 HA ASP A 15 11.796 11.446 -10.095 1.00 15.00 H new ATOM 0 HB2 ASP A 15 9.194 11.001 -10.769 1.00 15.00 H new ATOM 0 HB3 ASP A 15 8.982 11.558 -9.121 1.00 15.00 H new ATOM 234 N ASN A 16 10.618 10.096 -7.339 1.00 15.00 N ATOM 235 CA ASN A 16 10.741 10.066 -5.887 1.00 15.00 C ATOM 236 C ASN A 16 10.291 8.716 -5.336 1.00 15.00 C ATOM 237 O ASN A 16 9.611 7.952 -6.020 1.00 15.00 O ATOM 238 CB ASN A 16 9.911 11.189 -5.261 1.00 15.00 C ATOM 239 CG ASN A 16 10.735 12.431 -4.984 1.00 15.00 C ATOM 240 OD1 ASN A 16 11.651 12.412 -4.162 1.00 15.00 O ATOM 241 ND2 ASN A 16 10.412 13.521 -5.671 1.00 15.00 N ATOM 0 H ASN A 16 10.053 9.341 -7.727 1.00 15.00 H new ATOM 0 HA ASN A 16 11.790 10.214 -5.630 1.00 15.00 H new ATOM 0 HB2 ASN A 16 9.088 11.444 -5.928 1.00 15.00 H new ATOM 0 HB3 ASN A 16 9.469 10.835 -4.330 1.00 15.00 H new ATOM 0 HD21 ASN A 16 10.931 14.387 -5.527 1.00 15.00 H new ATOM 0 HD22 ASN A 16 9.645 13.492 -6.343 1.00 15.00 H new ATOM 248 N SER A 17 10.668 8.431 -4.095 1.00 15.00 N ATOM 249 CA SER A 17 10.296 7.177 -3.452 1.00 15.00 C ATOM 250 C SER A 17 8.919 7.310 -2.801 1.00 15.00 C ATOM 251 O SER A 17 8.010 7.897 -3.387 1.00 15.00 O ATOM 252 CB SER A 17 11.347 6.789 -2.411 1.00 15.00 C ATOM 253 OG SER A 17 12.654 7.099 -2.862 1.00 15.00 O ATOM 0 H SER A 17 11.231 9.052 -3.514 1.00 15.00 H new ATOM 0 HA SER A 17 10.249 6.391 -4.206 1.00 15.00 H new ATOM 0 HB2 SER A 17 11.148 7.314 -1.477 1.00 15.00 H new ATOM 0 HB3 SER A 17 11.276 5.722 -2.199 1.00 15.00 H new ATOM 0 HG SER A 17 13.306 6.842 -2.177 1.00 15.00 H new ATOM 259 N LEU A 18 8.761 6.778 -1.590 1.00 15.00 N ATOM 260 CA LEU A 18 7.489 6.871 -0.891 1.00 15.00 C ATOM 261 C LEU A 18 7.642 7.676 0.394 1.00 15.00 C ATOM 262 O LEU A 18 8.705 8.234 0.666 1.00 15.00 O ATOM 263 CB LEU A 18 6.932 5.477 -0.583 1.00 15.00 C ATOM 264 CG LEU A 18 6.495 4.670 -1.807 1.00 15.00 C ATOM 265 CD1 LEU A 18 7.682 3.947 -2.425 1.00 15.00 C ATOM 266 CD2 LEU A 18 5.404 3.681 -1.428 1.00 15.00 C ATOM 0 H LEU A 18 9.493 6.283 -1.080 1.00 15.00 H new ATOM 0 HA LEU A 18 6.782 7.386 -1.542 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.691 4.910 -0.045 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.079 5.583 0.087 1.00 15.00 H new ATOM 0 HG LEU A 18 6.093 5.360 -2.549 1.00 15.00 H new ATOM 0 HD11 LEU A 18 7.350 3.379 -3.294 1.00 15.00 H new ATOM 0 HD12 LEU A 18 8.432 4.676 -2.733 1.00 15.00 H new ATOM 0 HD13 LEU A 18 8.116 3.267 -1.692 1.00 15.00 H new ATOM 0 HD21 LEU A 18 5.104 3.115 -2.310 1.00 15.00 H new ATOM 0 HD22 LEU A 18 5.781 2.997 -0.668 1.00 15.00 H new ATOM 0 HD23 LEU A 18 4.544 4.222 -1.034 1.00 15.00 H new ATOM 278 N GLY A 19 6.573 7.734 1.174 1.00 15.00 N ATOM 279 CA GLY A 19 6.593 8.476 2.419 1.00 15.00 C ATOM 280 C GLY A 19 5.482 8.047 3.344 1.00 15.00 C ATOM 281 O GLY A 19 4.885 8.868 4.034 1.00 15.00 O ATOM 0 H GLY A 19 5.685 7.277 0.965 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.554 8.331 2.913 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.500 9.541 2.209 1.00 15.00 H new ATOM 285 N ILE A 20 5.193 6.755 3.336 1.00 15.00 N ATOM 286 CA ILE A 20 4.136 6.204 4.165 1.00 15.00 C ATOM 287 C ILE A 20 4.683 5.292 5.258 1.00 15.00 C ATOM 288 O ILE A 20 5.594 4.498 5.024 1.00 15.00 O ATOM 289 CB ILE A 20 3.121 5.419 3.304 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.727 6.019 3.458 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.107 3.946 3.683 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.611 5.068 3.102 1.00 15.00 C ATOM 0 H ILE A 20 5.679 6.067 2.761 1.00 15.00 H new ATOM 0 HA ILE A 20 3.637 7.047 4.643 1.00 15.00 H new ATOM 0 HB ILE A 20 3.427 5.496 2.261 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.596 6.349 4.489 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.651 6.905 2.828 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.384 3.417 3.062 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.099 3.521 3.528 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.828 3.843 4.732 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.349 5.567 3.237 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.716 4.757 2.063 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.659 4.192 3.749 1.00 15.00 H new ATOM 304 N SER A 21 4.074 5.371 6.431 1.00 15.00 N ATOM 305 CA SER A 21 4.444 4.514 7.543 1.00 15.00 C ATOM 306 C SER A 21 3.481 3.331 7.544 1.00 15.00 C ATOM 307 O SER A 21 2.315 3.472 7.913 1.00 15.00 O ATOM 308 CB SER A 21 4.382 5.288 8.865 1.00 15.00 C ATOM 309 OG SER A 21 4.596 4.429 9.971 1.00 15.00 O ATOM 0 H SER A 21 3.318 6.024 6.636 1.00 15.00 H new ATOM 0 HA SER A 21 5.469 4.160 7.436 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.134 6.077 8.863 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.411 5.773 8.960 1.00 15.00 H new ATOM 0 HG SER A 21 4.553 4.948 10.801 1.00 15.00 H new ATOM 315 N VAL A 22 3.951 2.184 7.060 1.00 15.00 N ATOM 316 CA VAL A 22 3.095 1.006 6.937 1.00 15.00 C ATOM 317 C VAL A 22 3.161 0.076 8.145 1.00 15.00 C ATOM 318 O VAL A 22 4.194 -0.049 8.803 1.00 15.00 O ATOM 319 CB VAL A 22 3.452 0.202 5.670 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.422 1.096 4.441 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.819 -0.458 5.806 1.00 15.00 C ATOM 0 H VAL A 22 4.912 2.045 6.749 1.00 15.00 H new ATOM 0 HA VAL A 22 2.077 1.390 6.873 1.00 15.00 H new ATOM 0 HB VAL A 22 2.704 -0.582 5.552 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.677 0.510 3.558 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.424 1.517 4.321 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.144 1.904 4.561 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.045 -1.018 4.898 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.579 0.308 5.958 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.812 -1.137 6.659 1.00 15.00 H new ATOM 331 N THR A 23 2.032 -0.579 8.414 1.00 15.00 N ATOM 332 CA THR A 23 1.917 -1.515 9.525 1.00 15.00 C ATOM 333 C THR A 23 0.902 -2.615 9.203 1.00 15.00 C ATOM 334 O THR A 23 0.021 -2.436 8.361 1.00 15.00 O ATOM 335 CB THR A 23 1.495 -0.772 10.795 1.00 15.00 C ATOM 336 OG1 THR A 23 1.265 0.594 10.519 1.00 15.00 O ATOM 337 CG2 THR A 23 2.516 -0.847 11.906 1.00 15.00 C ATOM 0 H THR A 23 1.176 -0.474 7.869 1.00 15.00 H new ATOM 0 HA THR A 23 2.890 -1.978 9.687 1.00 15.00 H new ATOM 0 HB THR A 23 0.585 -1.270 11.129 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.951 1.137 10.960 1.00 15.00 H new ATOM 0 HG21 THR A 23 2.150 -0.299 12.774 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.681 -1.889 12.178 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.454 -0.407 11.568 1.00 15.00 H new ATOM 345 N GLY A 24 1.016 -3.747 9.885 1.00 15.00 N ATOM 346 CA GLY A 24 0.079 -4.835 9.667 1.00 15.00 C ATOM 347 C GLY A 24 0.204 -5.473 8.296 1.00 15.00 C ATOM 348 O GLY A 24 -0.112 -4.850 7.284 1.00 15.00 O ATOM 0 H GLY A 24 1.737 -3.932 10.583 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.235 -5.598 10.430 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.937 -4.461 9.794 1.00 15.00 H new ATOM 352 N GLY A 25 0.648 -6.723 8.270 1.00 15.00 N ATOM 353 CA GLY A 25 0.793 -7.441 7.018 1.00 15.00 C ATOM 354 C GLY A 25 0.927 -8.938 7.225 1.00 15.00 C ATOM 355 O GLY A 25 0.381 -9.729 6.457 1.00 15.00 O ATOM 0 H GLY A 25 0.912 -7.255 9.099 1.00 15.00 H new ATOM 0 HA2 GLY A 25 -0.071 -7.240 6.384 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.670 -7.070 6.488 1.00 15.00 H new ATOM 359 N VAL A 26 1.660 -9.323 8.270 1.00 15.00 N ATOM 360 CA VAL A 26 1.881 -10.734 8.602 1.00 15.00 C ATOM 361 C VAL A 26 0.613 -11.565 8.421 1.00 15.00 C ATOM 362 O VAL A 26 -0.491 -11.026 8.356 1.00 15.00 O ATOM 363 CB VAL A 26 2.367 -10.894 10.056 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.880 -10.773 10.136 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.697 -9.866 10.953 1.00 15.00 C ATOM 0 H VAL A 26 2.116 -8.671 8.908 1.00 15.00 H new ATOM 0 HA VAL A 26 2.646 -11.095 7.915 1.00 15.00 H new ATOM 0 HB VAL A 26 2.090 -11.889 10.404 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.200 -10.889 11.171 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.340 -11.549 9.525 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.187 -9.793 9.769 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.050 -9.991 11.977 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.943 -8.863 10.604 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.616 -10.005 10.922 1.00 15.00 H new ATOM 375 N ASN A 27 0.780 -12.881 8.344 1.00 15.00 N ATOM 376 CA ASN A 27 -0.350 -13.787 8.175 1.00 15.00 C ATOM 377 C ASN A 27 -0.936 -14.184 9.527 1.00 15.00 C ATOM 378 O ASN A 27 -1.113 -15.367 9.817 1.00 15.00 O ATOM 379 CB ASN A 27 0.083 -15.036 7.404 1.00 15.00 C ATOM 380 CG ASN A 27 0.619 -14.707 6.025 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.541 -13.904 5.879 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.041 -15.327 5.002 1.00 15.00 N ATOM 0 H ASN A 27 1.687 -13.344 8.396 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.120 -13.267 7.606 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.849 -15.563 7.972 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -0.766 -15.713 7.309 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.358 -15.145 4.050 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.720 -15.985 5.169 1.00 15.00 H new ATOM 389 N THR A 28 -1.238 -13.184 10.350 1.00 15.00 N ATOM 390 CA THR A 28 -1.806 -13.424 11.671 1.00 15.00 C ATOM 391 C THR A 28 -2.673 -12.247 12.106 1.00 15.00 C ATOM 392 O THR A 28 -3.878 -12.394 12.314 1.00 15.00 O ATOM 393 CB THR A 28 -0.694 -13.660 12.695 1.00 15.00 C ATOM 394 OG1 THR A 28 0.507 -14.046 12.051 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.034 -14.728 13.712 1.00 15.00 C ATOM 0 H THR A 28 -1.098 -12.199 10.124 1.00 15.00 H new ATOM 0 HA THR A 28 -2.431 -14.316 11.616 1.00 15.00 H new ATOM 0 HB THR A 28 -0.575 -12.710 13.216 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.206 -14.191 12.722 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.203 -14.845 14.408 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.929 -14.436 14.261 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.215 -15.673 13.200 1.00 15.00 H new ATOM 403 N SER A 29 -2.053 -11.079 12.238 1.00 15.00 N ATOM 404 CA SER A 29 -2.770 -9.875 12.643 1.00 15.00 C ATOM 405 C SER A 29 -3.779 -9.467 11.576 1.00 15.00 C ATOM 406 O SER A 29 -4.960 -9.270 11.865 1.00 15.00 O ATOM 407 CB SER A 29 -1.786 -8.731 12.897 1.00 15.00 C ATOM 408 OG SER A 29 -2.180 -7.960 14.019 1.00 15.00 O ATOM 0 H SER A 29 -1.056 -10.940 12.071 1.00 15.00 H new ATOM 0 HA SER A 29 -3.308 -10.091 13.566 1.00 15.00 H new ATOM 0 HB2 SER A 29 -0.788 -9.136 13.062 1.00 15.00 H new ATOM 0 HB3 SER A 29 -1.729 -8.093 12.015 1.00 15.00 H new ATOM 0 HG SER A 29 -1.535 -7.237 14.162 1.00 15.00 H new ATOM 414 N VAL A 30 -3.307 -9.347 10.339 1.00 15.00 N ATOM 415 CA VAL A 30 -4.166 -8.969 9.225 1.00 15.00 C ATOM 416 C VAL A 30 -4.813 -10.200 8.599 1.00 15.00 C ATOM 417 O VAL A 30 -4.617 -11.320 9.069 1.00 15.00 O ATOM 418 CB VAL A 30 -3.381 -8.205 8.143 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.970 -6.831 8.649 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.164 -9.004 7.703 1.00 15.00 C ATOM 0 H VAL A 30 -2.332 -9.507 10.084 1.00 15.00 H new ATOM 0 HA VAL A 30 -4.941 -8.315 9.625 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.031 -8.068 7.278 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.416 -6.307 7.870 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.860 -6.258 8.910 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.339 -6.942 9.531 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.621 -8.449 6.938 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.511 -9.174 8.559 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.486 -9.963 7.296 1.00 15.00 H new ATOM 430 N ARG A 31 -5.585 -9.989 7.539 1.00 15.00 N ATOM 431 CA ARG A 31 -6.258 -11.088 6.857 1.00 15.00 C ATOM 432 C ARG A 31 -5.370 -11.690 5.772 1.00 15.00 C ATOM 433 O ARG A 31 -4.864 -10.979 4.904 1.00 15.00 O ATOM 434 CB ARG A 31 -7.577 -10.609 6.247 1.00 15.00 C ATOM 435 CG ARG A 31 -7.404 -9.520 5.201 1.00 15.00 C ATOM 436 CD ARG A 31 -7.507 -10.079 3.792 1.00 15.00 C ATOM 437 NE ARG A 31 -7.203 -9.071 2.779 1.00 15.00 N ATOM 438 CZ ARG A 31 -7.288 -9.287 1.469 1.00 15.00 C ATOM 439 NH1 ARG A 31 -7.668 -10.473 1.009 1.00 15.00 N ATOM 440 NH2 ARG A 31 -6.993 -8.315 0.616 1.00 15.00 N ATOM 0 H ARG A 31 -5.760 -9.069 7.134 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.467 -11.862 7.596 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -8.088 -11.459 5.794 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.222 -10.237 7.043 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.164 -8.752 5.345 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -6.435 -9.039 5.332 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -6.821 -10.919 3.684 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.513 -10.466 3.628 1.00 15.00 H new ATOM 0 HE ARG A 31 -6.908 -8.147 3.095 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -7.896 -11.224 1.661 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -7.732 -10.634 0.004 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -6.701 -7.402 0.964 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -7.058 -8.481 -0.388 1.00 15.00 H new ATOM 454 N HIS A 32 -5.191 -13.006 5.829 1.00 15.00 N ATOM 455 CA HIS A 32 -4.372 -13.715 4.853 1.00 15.00 C ATOM 456 C HIS A 32 -2.916 -13.254 4.906 1.00 15.00 C ATOM 457 O HIS A 32 -2.074 -13.902 5.528 1.00 15.00 O ATOM 458 CB HIS A 32 -4.934 -13.517 3.443 1.00 15.00 C ATOM 459 CG HIS A 32 -6.233 -14.225 3.212 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.418 -13.837 3.803 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.532 -15.303 2.449 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.387 -14.645 3.415 1.00 15.00 C ATOM 463 NE2 HIS A 32 -7.877 -15.543 2.593 1.00 15.00 N ATOM 0 H HIS A 32 -5.604 -13.605 6.544 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.400 -14.775 5.104 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -5.073 -12.451 3.263 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.203 -13.870 2.716 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -5.842 -15.869 1.841 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.422 -14.582 3.719 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.397 -16.293 2.138 1.00 15.00 H new ATOM 472 N GLY A 33 -2.623 -12.138 4.244 1.00 15.00 N ATOM 473 CA GLY A 33 -1.266 -11.622 4.224 1.00 15.00 C ATOM 474 C GLY A 33 -1.151 -10.309 3.473 1.00 15.00 C ATOM 475 O GLY A 33 -0.123 -10.030 2.856 1.00 15.00 O ATOM 0 H GLY A 33 -3.301 -11.583 3.722 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.920 -11.482 5.248 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.608 -12.359 3.763 1.00 15.00 H new ATOM 479 N GLY A 34 -2.200 -9.493 3.538 1.00 15.00 N ATOM 480 CA GLY A 34 -2.179 -8.206 2.870 1.00 15.00 C ATOM 481 C GLY A 34 -1.718 -7.120 3.811 1.00 15.00 C ATOM 482 O GLY A 34 -1.825 -7.273 5.027 1.00 15.00 O ATOM 0 H GLY A 34 -3.063 -9.701 4.041 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.516 -8.251 2.006 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.175 -7.970 2.495 1.00 15.00 H new ATOM 486 N ILE A 35 -1.192 -6.025 3.276 1.00 15.00 N ATOM 487 CA ILE A 35 -0.717 -4.953 4.139 1.00 15.00 C ATOM 488 C ILE A 35 -1.745 -3.846 4.289 1.00 15.00 C ATOM 489 O ILE A 35 -2.578 -3.622 3.412 1.00 15.00 O ATOM 490 CB ILE A 35 0.620 -4.356 3.648 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.593 -4.217 4.832 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.407 -3.020 2.935 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.717 -2.814 5.390 1.00 15.00 C ATOM 0 H ILE A 35 -1.085 -5.858 2.275 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.551 -5.409 5.115 1.00 15.00 H new ATOM 0 HB ILE A 35 1.059 -5.035 2.917 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.269 -4.884 5.631 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.579 -4.556 4.515 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.368 -2.628 2.602 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.243 -3.167 2.072 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.056 -2.311 3.621 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.423 -2.814 6.220 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.074 -2.142 4.609 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.743 -2.475 5.743 1.00 15.00 H new ATOM 505 N TYR A 36 -1.658 -3.152 5.411 1.00 15.00 N ATOM 506 CA TYR A 36 -2.555 -2.051 5.699 1.00 15.00 C ATOM 507 C TYR A 36 -1.761 -0.867 6.220 1.00 15.00 C ATOM 508 O TYR A 36 -1.271 -0.884 7.345 1.00 15.00 O ATOM 509 CB TYR A 36 -3.610 -2.477 6.718 1.00 15.00 C ATOM 510 CG TYR A 36 -4.603 -3.474 6.171 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.225 -4.782 5.886 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.920 -3.106 5.935 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.133 -5.691 5.384 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.834 -4.010 5.433 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.436 -5.301 5.159 1.00 15.00 C ATOM 516 OH TYR A 36 -7.344 -6.205 4.658 1.00 15.00 O ATOM 0 H TYR A 36 -0.969 -3.335 6.141 1.00 15.00 H new ATOM 0 HA TYR A 36 -3.065 -1.759 4.781 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.112 -2.910 7.586 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.147 -1.594 7.065 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.205 -5.091 6.060 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.235 -2.095 6.148 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.825 -6.703 5.168 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.856 -3.708 5.256 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.654 -6.792 5.379 1.00 15.00 H new ATOM 526 N VAL A 37 -1.615 0.155 5.392 1.00 15.00 N ATOM 527 CA VAL A 37 -0.843 1.326 5.789 1.00 15.00 C ATOM 528 C VAL A 37 -1.357 1.909 7.100 1.00 15.00 C ATOM 529 O VAL A 37 -2.552 1.880 7.382 1.00 15.00 O ATOM 530 CB VAL A 37 -0.819 2.432 4.692 1.00 15.00 C ATOM 531 CG1 VAL A 37 -1.019 1.854 3.305 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.839 3.529 4.940 1.00 15.00 C ATOM 0 H VAL A 37 -2.013 0.200 4.454 1.00 15.00 H new ATOM 0 HA VAL A 37 0.181 0.978 5.929 1.00 15.00 H new ATOM 0 HB VAL A 37 0.174 2.879 4.750 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.996 2.658 2.569 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.223 1.141 3.089 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.983 1.347 3.258 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.776 4.271 4.144 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.840 3.098 4.956 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.634 4.006 5.898 1.00 15.00 H new ATOM 542 N LYS A 38 -0.446 2.455 7.889 1.00 15.00 N ATOM 543 CA LYS A 38 -0.817 3.067 9.153 1.00 15.00 C ATOM 544 C LYS A 38 -1.360 4.459 8.869 1.00 15.00 C ATOM 545 O LYS A 38 -2.433 4.832 9.341 1.00 15.00 O ATOM 546 CB LYS A 38 0.389 3.104 10.111 1.00 15.00 C ATOM 547 CG LYS A 38 0.931 4.493 10.433 1.00 15.00 C ATOM 548 CD LYS A 38 1.383 4.584 11.882 1.00 15.00 C ATOM 549 CE LYS A 38 0.474 5.496 12.690 1.00 15.00 C ATOM 550 NZ LYS A 38 0.886 5.567 14.120 1.00 15.00 N ATOM 0 H LYS A 38 0.551 2.487 7.677 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.590 2.479 9.647 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.104 2.619 11.045 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.194 2.511 9.677 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.768 4.722 9.773 1.00 15.00 H new ATOM 0 HG3 LYS A 38 0.161 5.240 10.242 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.390 3.588 12.326 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.406 4.958 11.923 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.488 6.497 12.258 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.552 5.135 12.626 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 0.241 6.199 14.636 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.849 4.616 14.540 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.856 5.936 14.184 1.00 15.00 H new ATOM 564 N ALA A 39 -0.609 5.209 8.069 1.00 15.00 N ATOM 565 CA ALA A 39 -1.004 6.551 7.678 1.00 15.00 C ATOM 566 C ALA A 39 -0.056 7.087 6.618 1.00 15.00 C ATOM 567 O ALA A 39 0.977 6.480 6.344 1.00 15.00 O ATOM 568 CB ALA A 39 -1.052 7.470 8.883 1.00 15.00 C ATOM 0 H ALA A 39 0.282 4.904 7.678 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.007 6.510 7.253 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.350 8.470 8.567 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.774 7.087 9.604 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.066 7.515 9.346 1.00 15.00 H new ATOM 574 N VAL A 40 -0.397 8.228 6.033 1.00 15.00 N ATOM 575 CA VAL A 40 0.449 8.833 5.009 1.00 15.00 C ATOM 576 C VAL A 40 1.336 9.907 5.627 1.00 15.00 C ATOM 577 O VAL A 40 0.857 10.953 6.063 1.00 15.00 O ATOM 578 CB VAL A 40 -0.370 9.445 3.851 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.387 8.506 2.657 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.785 9.768 4.295 1.00 15.00 C ATOM 0 H VAL A 40 -1.246 8.751 6.247 1.00 15.00 H new ATOM 0 HA VAL A 40 1.063 8.034 4.593 1.00 15.00 H new ATOM 0 HB VAL A 40 0.111 10.377 3.553 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.968 8.953 1.851 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.634 8.333 2.316 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.838 7.557 2.947 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.339 10.197 3.460 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.279 8.855 4.627 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.754 10.484 5.117 1.00 15.00 H new ATOM 590 N ILE A 41 2.631 9.619 5.689 1.00 15.00 N ATOM 591 CA ILE A 41 3.598 10.532 6.286 1.00 15.00 C ATOM 592 C ILE A 41 3.968 11.680 5.348 1.00 15.00 C ATOM 593 O ILE A 41 4.650 11.477 4.343 1.00 15.00 O ATOM 594 CB ILE A 41 4.866 9.762 6.744 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.557 8.855 7.947 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.997 10.716 7.091 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.143 8.312 7.981 1.00 15.00 C ATOM 0 H ILE A 41 3.037 8.755 5.331 1.00 15.00 H new ATOM 0 HA ILE A 41 3.123 10.977 7.160 1.00 15.00 H new ATOM 0 HB ILE A 41 5.185 9.139 5.909 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.254 8.017 7.942 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.739 9.415 8.864 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.870 10.145 7.408 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.252 11.312 6.215 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.682 11.375 7.900 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.016 7.684 8.863 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.436 9.141 8.021 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.959 7.720 7.084 1.00 15.00 H new ATOM 609 N PRO A 42 3.514 12.913 5.681 1.00 15.00 N ATOM 610 CA PRO A 42 3.785 14.113 4.878 1.00 15.00 C ATOM 611 C PRO A 42 5.265 14.449 4.813 1.00 15.00 C ATOM 612 O PRO A 42 5.709 15.481 5.317 1.00 15.00 O ATOM 613 CB PRO A 42 3.014 15.223 5.601 1.00 15.00 C ATOM 614 CG PRO A 42 2.825 14.720 6.988 1.00 15.00 C ATOM 615 CD PRO A 42 2.699 13.229 6.870 1.00 15.00 C ATOM 0 HA PRO A 42 3.480 13.976 3.841 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.571 16.160 5.593 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.057 15.418 5.118 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.670 14.992 7.621 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.934 15.153 7.443 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.072 12.722 7.760 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.661 12.922 6.740 1.00 15.00 H new ATOM 623 N GLN A 43 6.017 13.568 4.178 1.00 15.00 N ATOM 624 CA GLN A 43 7.447 13.746 4.018 1.00 15.00 C ATOM 625 C GLN A 43 7.879 13.138 2.694 1.00 15.00 C ATOM 626 O GLN A 43 8.507 13.798 1.866 1.00 15.00 O ATOM 627 CB GLN A 43 8.197 13.090 5.182 1.00 15.00 C ATOM 628 CG GLN A 43 9.698 12.991 4.968 1.00 15.00 C ATOM 629 CD GLN A 43 10.397 14.331 5.095 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.929 15.340 4.568 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.524 14.346 5.798 1.00 15.00 N ATOM 0 H GLN A 43 5.654 12.711 3.760 1.00 15.00 H new ATOM 0 HA GLN A 43 7.685 14.810 4.019 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.006 13.659 6.092 1.00 15.00 H new ATOM 0 HB3 GLN A 43 7.796 12.089 5.342 1.00 15.00 H new ATOM 0 HG2 GLN A 43 10.119 12.296 5.694 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.893 12.576 3.979 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.875 13.485 6.217 1.00 15.00 H new ATOM 0 HE22 GLN A 43 12.038 15.219 5.918 1.00 15.00 H new ATOM 640 N GLY A 44 7.520 11.876 2.499 1.00 15.00 N ATOM 641 CA GLY A 44 7.858 11.195 1.270 1.00 15.00 C ATOM 642 C GLY A 44 6.812 11.394 0.189 1.00 15.00 C ATOM 643 O GLY A 44 5.644 11.692 0.477 1.00 15.00 O ATOM 0 H GLY A 44 7.000 11.313 3.172 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.821 11.558 0.910 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.973 10.129 1.468 1.00 15.00 H new ATOM 647 N ALA A 45 7.248 11.222 -1.054 1.00 15.00 N ATOM 648 CA ALA A 45 6.398 11.378 -2.237 1.00 15.00 C ATOM 649 C ALA A 45 5.001 10.779 -2.070 1.00 15.00 C ATOM 650 O ALA A 45 4.096 11.100 -2.840 1.00 15.00 O ATOM 651 CB ALA A 45 7.084 10.757 -3.443 1.00 15.00 C ATOM 0 H ALA A 45 8.211 10.968 -1.275 1.00 15.00 H new ATOM 0 HA ALA A 45 6.259 12.449 -2.383 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.450 10.874 -4.322 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.038 11.255 -3.615 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.256 9.697 -3.258 1.00 15.00 H new ATOM 657 N ALA A 46 4.819 9.909 -1.085 1.00 15.00 N ATOM 658 CA ALA A 46 3.522 9.288 -0.872 1.00 15.00 C ATOM 659 C ALA A 46 2.514 10.286 -0.312 1.00 15.00 C ATOM 660 O ALA A 46 1.587 10.692 -1.016 1.00 15.00 O ATOM 661 CB ALA A 46 3.652 8.091 0.054 1.00 15.00 C ATOM 0 H ALA A 46 5.545 9.621 -0.429 1.00 15.00 H new ATOM 0 HA ALA A 46 3.153 8.946 -1.839 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.672 7.638 0.203 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.326 7.359 -0.390 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.051 8.416 1.015 1.00 15.00 H new ATOM 667 N GLU A 47 2.692 10.685 0.948 1.00 15.00 N ATOM 668 CA GLU A 47 1.777 11.648 1.560 1.00 15.00 C ATOM 669 C GLU A 47 1.756 12.946 0.759 1.00 15.00 C ATOM 670 O GLU A 47 0.701 13.543 0.548 1.00 15.00 O ATOM 671 CB GLU A 47 2.115 11.908 3.039 1.00 15.00 C ATOM 672 CG GLU A 47 1.246 12.984 3.679 1.00 15.00 C ATOM 673 CD GLU A 47 -0.239 12.734 3.494 1.00 15.00 C ATOM 674 OE1 GLU A 47 -0.689 12.641 2.333 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.954 12.633 4.514 1.00 15.00 O ATOM 0 H GLU A 47 3.446 10.364 1.555 1.00 15.00 H new ATOM 0 HA GLU A 47 0.778 11.214 1.539 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.001 10.979 3.599 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.162 12.202 3.118 1.00 15.00 H new ATOM 0 HG2 GLU A 47 1.470 13.038 4.744 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.502 13.953 3.250 1.00 15.00 H new ATOM 682 N SER A 48 2.933 13.370 0.304 1.00 15.00 N ATOM 683 CA SER A 48 3.051 14.590 -0.488 1.00 15.00 C ATOM 684 C SER A 48 2.113 14.535 -1.689 1.00 15.00 C ATOM 685 O SER A 48 1.179 15.330 -1.796 1.00 15.00 O ATOM 686 CB SER A 48 4.494 14.782 -0.959 1.00 15.00 C ATOM 687 OG SER A 48 5.294 15.350 0.064 1.00 15.00 O ATOM 0 H SER A 48 3.816 12.887 0.470 1.00 15.00 H new ATOM 0 HA SER A 48 2.771 15.437 0.139 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.912 13.822 -1.261 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.510 15.427 -1.838 1.00 15.00 H new ATOM 0 HG SER A 48 6.212 15.461 -0.262 1.00 15.00 H new ATOM 693 N ASP A 49 2.359 13.580 -2.580 1.00 15.00 N ATOM 694 CA ASP A 49 1.523 13.410 -3.761 1.00 15.00 C ATOM 695 C ASP A 49 0.106 13.039 -3.344 1.00 15.00 C ATOM 696 O ASP A 49 -0.872 13.521 -3.916 1.00 15.00 O ATOM 697 CB ASP A 49 2.101 12.328 -4.673 1.00 15.00 C ATOM 698 CG ASP A 49 1.857 12.618 -6.140 1.00 15.00 C ATOM 699 OD1 ASP A 49 0.692 12.517 -6.580 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.830 12.948 -6.851 1.00 15.00 O ATOM 0 H ASP A 49 3.128 12.914 -2.506 1.00 15.00 H new ATOM 0 HA ASP A 49 1.499 14.351 -4.311 1.00 15.00 H new ATOM 0 HB2 ASP A 49 3.173 12.242 -4.496 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.657 11.366 -4.417 1.00 15.00 H new ATOM 705 N GLY A 50 0.009 12.185 -2.331 1.00 15.00 N ATOM 706 CA GLY A 50 -1.283 11.760 -1.830 1.00 15.00 C ATOM 707 C GLY A 50 -1.898 10.648 -2.657 1.00 15.00 C ATOM 708 O GLY A 50 -3.094 10.676 -2.948 1.00 15.00 O ATOM 0 H GLY A 50 0.808 11.778 -1.846 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.175 11.422 -0.799 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -1.961 12.614 -1.816 1.00 15.00 H new ATOM 712 N ARG A 51 -1.087 9.663 -3.032 1.00 15.00 N ATOM 713 CA ARG A 51 -1.582 8.540 -3.826 1.00 15.00 C ATOM 714 C ARG A 51 -2.088 7.424 -2.918 1.00 15.00 C ATOM 715 O ARG A 51 -3.220 6.960 -3.056 1.00 15.00 O ATOM 716 CB ARG A 51 -0.493 8.007 -4.761 1.00 15.00 C ATOM 717 CG ARG A 51 -0.442 8.722 -6.101 1.00 15.00 C ATOM 718 CD ARG A 51 -1.492 8.186 -7.062 1.00 15.00 C ATOM 719 NE ARG A 51 -2.085 9.247 -7.875 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.249 9.836 -7.603 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.958 9.475 -6.541 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.706 10.793 -8.399 1.00 15.00 N ATOM 0 H ARG A 51 -0.094 9.618 -2.803 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.411 8.900 -4.435 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.475 8.103 -4.270 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.660 6.943 -4.932 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.598 9.790 -5.950 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.549 8.603 -6.540 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.039 7.440 -7.715 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.276 7.681 -6.497 1.00 15.00 H new ATOM 0 HE ARG A 51 -1.575 9.556 -8.703 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -3.613 8.740 -5.923 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -4.848 9.933 -6.342 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.167 11.077 -9.217 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.597 11.246 -8.193 1.00 15.00 H new ATOM 736 N ILE A 52 -1.243 7.004 -1.985 1.00 15.00 N ATOM 737 CA ILE A 52 -1.594 5.955 -1.045 1.00 15.00 C ATOM 738 C ILE A 52 -2.432 6.525 0.102 1.00 15.00 C ATOM 739 O ILE A 52 -2.417 7.733 0.341 1.00 15.00 O ATOM 740 CB ILE A 52 -0.321 5.287 -0.496 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.680 4.083 0.365 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.513 6.290 0.283 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.425 3.016 -0.396 1.00 15.00 C ATOM 0 H ILE A 52 -0.303 7.380 -1.861 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.187 5.204 -1.566 1.00 15.00 H new ATOM 0 HB ILE A 52 0.277 4.933 -1.336 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.232 3.655 0.780 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.289 4.414 1.206 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.409 5.800 0.664 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.800 7.112 -0.373 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.071 6.678 1.118 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.652 2.185 0.271 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.353 3.430 -0.789 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.809 2.660 -1.222 1.00 15.00 H new ATOM 755 N HIS A 53 -3.178 5.667 0.797 1.00 15.00 N ATOM 756 CA HIS A 53 -4.030 6.125 1.895 1.00 15.00 C ATOM 757 C HIS A 53 -4.012 5.183 3.084 1.00 15.00 C ATOM 758 O HIS A 53 -3.620 4.024 2.985 1.00 15.00 O ATOM 759 CB HIS A 53 -5.465 6.321 1.406 1.00 15.00 C ATOM 760 CG HIS A 53 -5.605 7.398 0.375 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.448 7.171 -0.976 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.890 8.715 0.503 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.629 8.302 -1.635 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.899 9.254 -0.760 1.00 15.00 N ATOM 0 H HIS A 53 -3.211 4.663 0.623 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.623 7.078 2.234 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.830 5.382 0.990 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.101 6.561 2.258 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.076 9.243 1.426 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.567 8.427 -2.706 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.084 10.231 -0.986 1.00 15.00 H new ATOM 773 N LYS A 54 -4.428 5.735 4.216 1.00 15.00 N ATOM 774 CA LYS A 54 -4.468 5.029 5.485 1.00 15.00 C ATOM 775 C LYS A 54 -5.051 3.616 5.369 1.00 15.00 C ATOM 776 O LYS A 54 -6.093 3.409 4.746 1.00 15.00 O ATOM 777 CB LYS A 54 -5.284 5.836 6.498 1.00 15.00 C ATOM 778 CG LYS A 54 -4.442 6.482 7.584 1.00 15.00 C ATOM 779 CD LYS A 54 -5.284 6.860 8.792 1.00 15.00 C ATOM 780 CE LYS A 54 -5.420 5.697 9.762 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.757 5.046 9.666 1.00 15.00 N ATOM 0 H LYS A 54 -4.752 6.700 4.277 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.436 4.923 5.820 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.837 6.612 5.970 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.020 5.180 6.963 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.652 5.796 7.890 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.954 7.372 7.186 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.830 7.709 9.302 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.273 7.178 8.462 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.642 4.961 9.557 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -5.262 6.053 10.780 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.936 4.492 10.528 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -7.492 5.775 9.564 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.778 4.416 8.839 1.00 15.00 H new ATOM 795 N GLY A 55 -4.373 2.656 6.000 1.00 15.00 N ATOM 796 CA GLY A 55 -4.827 1.273 5.995 1.00 15.00 C ATOM 797 C GLY A 55 -5.163 0.750 4.616 1.00 15.00 C ATOM 798 O GLY A 55 -6.043 -0.098 4.472 1.00 15.00 O ATOM 0 H GLY A 55 -3.509 2.815 6.519 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -4.053 0.644 6.434 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.707 1.186 6.632 1.00 15.00 H new ATOM 802 N ASP A 56 -4.465 1.238 3.599 1.00 15.00 N ATOM 803 CA ASP A 56 -4.718 0.778 2.240 1.00 15.00 C ATOM 804 C ASP A 56 -4.341 -0.691 2.090 1.00 15.00 C ATOM 805 O ASP A 56 -3.251 -1.102 2.493 1.00 15.00 O ATOM 806 CB ASP A 56 -3.952 1.627 1.224 1.00 15.00 C ATOM 807 CG ASP A 56 -4.879 2.437 0.341 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.876 1.868 -0.152 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.609 3.640 0.144 1.00 15.00 O ATOM 0 H ASP A 56 -3.731 1.941 3.686 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.785 0.886 2.043 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.276 2.300 1.751 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.335 0.978 0.602 1.00 15.00 H new ATOM 814 N ARG A 57 -5.242 -1.475 1.504 1.00 15.00 N ATOM 815 CA ARG A 57 -4.994 -2.896 1.291 1.00 15.00 C ATOM 816 C ARG A 57 -4.169 -3.100 0.027 1.00 15.00 C ATOM 817 O ARG A 57 -4.719 -3.290 -1.058 1.00 15.00 O ATOM 818 CB ARG A 57 -6.313 -3.667 1.175 1.00 15.00 C ATOM 819 CG ARG A 57 -7.407 -3.170 2.107 1.00 15.00 C ATOM 820 CD ARG A 57 -8.698 -3.950 1.912 1.00 15.00 C ATOM 821 NE ARG A 57 -8.928 -4.916 2.985 1.00 15.00 N ATOM 822 CZ ARG A 57 -9.719 -4.693 4.034 1.00 15.00 C ATOM 823 NH1 ARG A 57 -10.342 -3.530 4.176 1.00 15.00 N ATOM 824 NH2 ARG A 57 -9.881 -5.638 4.951 1.00 15.00 N ATOM 0 H ARG A 57 -6.149 -1.150 1.169 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.441 -3.277 2.149 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.670 -3.603 0.147 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.125 -4.720 1.382 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -7.076 -3.263 3.141 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.589 -2.111 1.925 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -9.537 -3.255 1.865 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.664 -4.473 0.956 1.00 15.00 H new ATOM 0 HE ARG A 57 -8.453 -5.817 2.927 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -10.218 -2.796 3.478 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.945 -3.370 4.983 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -9.401 -6.532 4.852 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -10.486 -5.470 5.755 1.00 15.00 H new ATOM 838 N VAL A 58 -2.848 -3.048 0.165 1.00 15.00 N ATOM 839 CA VAL A 58 -1.963 -3.216 -0.979 1.00 15.00 C ATOM 840 C VAL A 58 -1.808 -4.692 -1.342 1.00 15.00 C ATOM 841 O VAL A 58 -1.260 -5.487 -0.569 1.00 15.00 O ATOM 842 CB VAL A 58 -0.579 -2.562 -0.735 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.730 -1.276 0.065 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.381 -3.514 -0.033 1.00 15.00 C ATOM 0 H VAL A 58 -2.370 -2.892 1.053 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.425 -2.703 -1.823 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.153 -2.325 -1.710 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.252 -0.831 0.227 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.359 -0.577 -0.486 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.191 -1.498 1.028 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.339 -3.017 0.119 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.035 -3.804 0.932 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.526 -4.403 -0.647 1.00 15.00 H new ATOM 854 N LEU A 59 -2.326 -5.051 -2.517 1.00 15.00 N ATOM 855 CA LEU A 59 -2.273 -6.431 -2.996 1.00 15.00 C ATOM 856 C LEU A 59 -1.276 -6.615 -4.141 1.00 15.00 C ATOM 857 O LEU A 59 -0.941 -7.744 -4.494 1.00 15.00 O ATOM 858 CB LEU A 59 -3.659 -6.889 -3.453 1.00 15.00 C ATOM 859 CG LEU A 59 -4.744 -6.871 -2.375 1.00 15.00 C ATOM 860 CD1 LEU A 59 -5.968 -7.639 -2.846 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.215 -7.455 -1.074 1.00 15.00 C ATOM 0 H LEU A 59 -2.788 -4.403 -3.155 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.935 -7.041 -2.158 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.980 -6.253 -4.278 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.577 -7.903 -3.845 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.033 -5.836 -2.192 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.732 -7.618 -2.069 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.360 -7.178 -3.753 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.691 -8.672 -3.055 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.001 -7.434 -0.319 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.899 -8.485 -1.240 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.365 -6.866 -0.730 1.00 15.00 H new ATOM 873 N ALA A 60 -0.827 -5.517 -4.743 1.00 15.00 N ATOM 874 CA ALA A 60 0.101 -5.607 -5.868 1.00 15.00 C ATOM 875 C ALA A 60 1.074 -4.435 -5.920 1.00 15.00 C ATOM 876 O ALA A 60 0.755 -3.320 -5.510 1.00 15.00 O ATOM 877 CB ALA A 60 -0.679 -5.693 -7.172 1.00 15.00 C ATOM 0 H ALA A 60 -1.086 -4.567 -4.476 1.00 15.00 H new ATOM 0 HA ALA A 60 0.695 -6.510 -5.727 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.017 -5.760 -8.008 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.315 -6.578 -7.158 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.298 -4.803 -7.285 1.00 15.00 H new ATOM 883 N VAL A 61 2.258 -4.707 -6.457 1.00 15.00 N ATOM 884 CA VAL A 61 3.302 -3.702 -6.613 1.00 15.00 C ATOM 885 C VAL A 61 3.970 -3.888 -7.964 1.00 15.00 C ATOM 886 O VAL A 61 4.761 -4.812 -8.153 1.00 15.00 O ATOM 887 CB VAL A 61 4.368 -3.795 -5.503 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.452 -2.747 -5.710 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.725 -3.646 -4.134 1.00 15.00 C ATOM 0 H VAL A 61 2.521 -5.632 -6.797 1.00 15.00 H new ATOM 0 HA VAL A 61 2.835 -2.720 -6.542 1.00 15.00 H new ATOM 0 HB VAL A 61 4.835 -4.778 -5.555 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.194 -2.830 -4.916 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.933 -2.907 -6.675 1.00 15.00 H new ATOM 0 HG13 VAL A 61 5.006 -1.753 -5.687 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.492 -3.714 -3.362 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.229 -2.677 -4.068 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.992 -4.439 -3.988 1.00 15.00 H new ATOM 899 N ASN A 62 3.618 -3.033 -8.917 1.00 15.00 N ATOM 900 CA ASN A 62 4.158 -3.142 -10.263 1.00 15.00 C ATOM 901 C ASN A 62 3.682 -4.445 -10.906 1.00 15.00 C ATOM 902 O ASN A 62 4.214 -4.879 -11.928 1.00 15.00 O ATOM 903 CB ASN A 62 5.688 -3.088 -10.239 1.00 15.00 C ATOM 904 CG ASN A 62 6.219 -1.684 -10.454 1.00 15.00 C ATOM 905 OD1 ASN A 62 6.993 -1.435 -11.379 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.804 -0.756 -9.598 1.00 15.00 N ATOM 0 H ASN A 62 2.965 -2.261 -8.782 1.00 15.00 H new ATOM 0 HA ASN A 62 3.799 -2.300 -10.854 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.048 -3.467 -9.282 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.085 -3.746 -11.012 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.127 0.207 -9.693 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.162 -1.006 -8.846 1.00 15.00 H new ATOM 913 N GLY A 63 2.664 -5.058 -10.295 1.00 15.00 N ATOM 914 CA GLY A 63 2.113 -6.298 -10.808 1.00 15.00 C ATOM 915 C GLY A 63 2.490 -7.513 -9.979 1.00 15.00 C ATOM 916 O GLY A 63 2.187 -8.643 -10.363 1.00 15.00 O ATOM 0 H GLY A 63 2.212 -4.711 -9.449 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.027 -6.216 -10.846 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.458 -6.444 -11.832 1.00 15.00 H new ATOM 920 N VAL A 64 3.140 -7.293 -8.840 1.00 15.00 N ATOM 921 CA VAL A 64 3.533 -8.398 -7.973 1.00 15.00 C ATOM 922 C VAL A 64 2.475 -8.650 -6.898 1.00 15.00 C ATOM 923 O VAL A 64 2.355 -7.894 -5.934 1.00 15.00 O ATOM 924 CB VAL A 64 4.910 -8.151 -7.313 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.817 -7.120 -6.200 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.490 -9.457 -6.789 1.00 15.00 C ATOM 0 H VAL A 64 3.404 -6.369 -8.498 1.00 15.00 H new ATOM 0 HA VAL A 64 3.617 -9.284 -8.603 1.00 15.00 H new ATOM 0 HB VAL A 64 5.579 -7.753 -8.076 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.802 -6.971 -5.759 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.456 -6.176 -6.608 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.126 -7.473 -5.434 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.459 -9.266 -6.328 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.814 -9.884 -6.049 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.613 -10.158 -7.615 1.00 15.00 H new ATOM 936 N SER A 65 1.705 -9.716 -7.074 1.00 15.00 N ATOM 937 CA SER A 65 0.655 -10.065 -6.122 1.00 15.00 C ATOM 938 C SER A 65 1.237 -10.276 -4.731 1.00 15.00 C ATOM 939 O SER A 65 2.106 -11.125 -4.531 1.00 15.00 O ATOM 940 CB SER A 65 -0.078 -11.328 -6.578 1.00 15.00 C ATOM 941 OG SER A 65 -0.869 -11.073 -7.726 1.00 15.00 O ATOM 0 H SER A 65 1.786 -10.354 -7.866 1.00 15.00 H new ATOM 0 HA SER A 65 -0.054 -9.239 -6.080 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.646 -12.113 -6.798 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.711 -11.696 -5.771 1.00 15.00 H new ATOM 0 HG SER A 65 -1.326 -11.896 -7.998 1.00 15.00 H new ATOM 947 N LEU A 66 0.754 -9.495 -3.773 1.00 15.00 N ATOM 948 CA LEU A 66 1.226 -9.592 -2.400 1.00 15.00 C ATOM 949 C LEU A 66 0.435 -10.638 -1.617 1.00 15.00 C ATOM 950 O LEU A 66 0.808 -10.997 -0.500 1.00 15.00 O ATOM 951 CB LEU A 66 1.128 -8.231 -1.710 1.00 15.00 C ATOM 952 CG LEU A 66 2.471 -7.604 -1.334 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.328 -6.101 -1.157 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.019 -8.245 -0.068 1.00 15.00 C ATOM 0 H LEU A 66 0.035 -8.787 -3.923 1.00 15.00 H new ATOM 0 HA LEU A 66 2.270 -9.905 -2.423 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.594 -7.544 -2.366 1.00 15.00 H new ATOM 0 HB3 LEU A 66 0.528 -8.340 -0.806 1.00 15.00 H new ATOM 0 HG LEU A 66 3.177 -7.785 -2.144 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.294 -5.673 -0.890 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.979 -5.656 -2.089 1.00 15.00 H new ATOM 0 HD13 LEU A 66 1.608 -5.895 -0.365 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.975 -7.788 0.187 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.315 -8.094 0.750 1.00 15.00 H new ATOM 0 HD23 LEU A 66 3.160 -9.313 -0.233 1.00 15.00 H new ATOM 966 N GLU A 67 -0.655 -11.129 -2.208 1.00 15.00 N ATOM 967 CA GLU A 67 -1.488 -12.138 -1.560 1.00 15.00 C ATOM 968 C GLU A 67 -0.628 -13.249 -0.963 1.00 15.00 C ATOM 969 O GLU A 67 -0.195 -14.161 -1.667 1.00 15.00 O ATOM 970 CB GLU A 67 -2.481 -12.730 -2.563 1.00 15.00 C ATOM 971 CG GLU A 67 -3.799 -11.977 -2.629 1.00 15.00 C ATOM 972 CD GLU A 67 -4.321 -11.840 -4.046 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.801 -12.850 -4.603 1.00 15.00 O ATOM 974 OE2 GLU A 67 -4.248 -10.723 -4.600 1.00 15.00 O ATOM 0 H GLU A 67 -0.980 -10.844 -3.132 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.040 -11.656 -0.754 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.025 -12.736 -3.553 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.678 -13.768 -2.297 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.540 -12.495 -2.021 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.669 -10.985 -2.196 1.00 15.00 H new ATOM 981 N GLY A 68 -0.379 -13.156 0.338 1.00 15.00 N ATOM 982 CA GLY A 68 0.436 -14.150 1.010 1.00 15.00 C ATOM 983 C GLY A 68 1.793 -13.603 1.410 1.00 15.00 C ATOM 984 O GLY A 68 2.819 -14.000 0.859 1.00 15.00 O ATOM 0 H GLY A 68 -0.727 -12.410 0.940 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.087 -14.506 1.898 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.572 -15.010 0.354 1.00 15.00 H new ATOM 988 N ALA A 69 1.793 -12.687 2.373 1.00 15.00 N ATOM 989 CA ALA A 69 3.025 -12.076 2.853 1.00 15.00 C ATOM 990 C ALA A 69 2.757 -11.197 4.070 1.00 15.00 C ATOM 991 O ALA A 69 1.607 -10.901 4.392 1.00 15.00 O ATOM 992 CB ALA A 69 3.679 -11.263 1.745 1.00 15.00 C ATOM 0 H ALA A 69 0.949 -12.351 2.837 1.00 15.00 H new ATOM 0 HA ALA A 69 3.707 -12.872 3.152 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.599 -10.812 2.119 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.911 -11.915 0.903 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.997 -10.478 1.419 1.00 15.00 H new ATOM 998 N THR A 70 3.824 -10.791 4.747 1.00 15.00 N ATOM 999 CA THR A 70 3.702 -9.953 5.935 1.00 15.00 C ATOM 1000 C THR A 70 3.802 -8.475 5.583 1.00 15.00 C ATOM 1001 O THR A 70 3.872 -8.107 4.410 1.00 15.00 O ATOM 1002 CB THR A 70 4.780 -10.319 6.955 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.024 -9.742 6.603 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.986 -11.812 7.093 1.00 15.00 C ATOM 0 H THR A 70 4.783 -11.028 4.494 1.00 15.00 H new ATOM 0 HA THR A 70 2.719 -10.133 6.370 1.00 15.00 H new ATOM 0 HB THR A 70 4.423 -9.927 7.907 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.699 -9.987 7.270 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.764 -12.005 7.832 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.055 -12.279 7.415 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.287 -12.228 6.132 1.00 15.00 H new ATOM 1012 N HIS A 71 3.805 -7.633 6.609 1.00 15.00 N ATOM 1013 CA HIS A 71 3.893 -6.193 6.418 1.00 15.00 C ATOM 1014 C HIS A 71 5.220 -5.827 5.768 1.00 15.00 C ATOM 1015 O HIS A 71 5.258 -5.278 4.667 1.00 15.00 O ATOM 1016 CB HIS A 71 3.716 -5.476 7.768 1.00 15.00 C ATOM 1017 CG HIS A 71 4.664 -4.337 8.007 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.398 -4.202 9.166 1.00 15.00 N ATOM 1019 CD2 HIS A 71 4.996 -3.279 7.229 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.138 -3.110 9.092 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.915 -2.532 7.927 1.00 15.00 N ATOM 0 H HIS A 71 3.747 -7.925 7.585 1.00 15.00 H new ATOM 0 HA HIS A 71 3.094 -5.868 5.751 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.695 -5.100 7.832 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.838 -6.205 8.569 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.374 -4.845 9.957 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.610 -3.063 6.244 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.812 -2.751 9.856 1.00 15.00 H new ATOM 1030 N LYS A 72 6.306 -6.145 6.457 1.00 15.00 N ATOM 1031 CA LYS A 72 7.644 -5.863 5.953 1.00 15.00 C ATOM 1032 C LYS A 72 7.821 -6.426 4.548 1.00 15.00 C ATOM 1033 O LYS A 72 8.525 -5.847 3.721 1.00 15.00 O ATOM 1034 CB LYS A 72 8.693 -6.454 6.893 1.00 15.00 C ATOM 1035 CG LYS A 72 10.101 -5.947 6.630 1.00 15.00 C ATOM 1036 CD LYS A 72 10.824 -5.607 7.924 1.00 15.00 C ATOM 1037 CE LYS A 72 11.330 -6.857 8.625 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.781 -7.082 8.382 1.00 15.00 N ATOM 0 H LYS A 72 6.288 -6.600 7.370 1.00 15.00 H new ATOM 0 HA LYS A 72 7.775 -4.782 5.908 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.419 -6.222 7.922 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.683 -7.540 6.798 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.665 -6.704 6.085 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.057 -5.063 5.994 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.662 -4.944 7.710 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.150 -5.065 8.587 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.151 -6.770 9.697 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.765 -7.722 8.277 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.086 -7.944 8.877 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.949 -7.191 7.362 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.323 -6.268 8.737 1.00 15.00 H new ATOM 1052 N GLN A 73 7.164 -7.553 4.277 1.00 15.00 N ATOM 1053 CA GLN A 73 7.244 -8.175 2.962 1.00 15.00 C ATOM 1054 C GLN A 73 6.741 -7.201 1.912 1.00 15.00 C ATOM 1055 O GLN A 73 7.398 -6.966 0.898 1.00 15.00 O ATOM 1056 CB GLN A 73 6.421 -9.462 2.922 1.00 15.00 C ATOM 1057 CG GLN A 73 7.041 -10.598 3.712 1.00 15.00 C ATOM 1058 CD GLN A 73 6.829 -11.949 3.059 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.912 -12.688 3.417 1.00 15.00 O ATOM 1060 NE2 GLN A 73 7.679 -12.281 2.094 1.00 15.00 N ATOM 0 H GLN A 73 6.576 -8.049 4.947 1.00 15.00 H new ATOM 0 HA GLN A 73 8.283 -8.429 2.754 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.424 -9.259 3.313 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.299 -9.775 1.885 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.110 -10.417 3.823 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.614 -10.613 4.715 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.425 -11.638 1.828 1.00 15.00 H new ATOM 0 HE22 GLN A 73 7.586 -13.179 1.619 1.00 15.00 H new ATOM 1069 N ALA A 74 5.584 -6.610 2.182 1.00 15.00 N ATOM 1070 CA ALA A 74 5.014 -5.630 1.274 1.00 15.00 C ATOM 1071 C ALA A 74 5.916 -4.412 1.224 1.00 15.00 C ATOM 1072 O ALA A 74 6.278 -3.936 0.150 1.00 15.00 O ATOM 1073 CB ALA A 74 3.620 -5.232 1.708 1.00 15.00 C ATOM 0 H ALA A 74 5.027 -6.792 3.017 1.00 15.00 H new ATOM 0 HA ALA A 74 4.939 -6.072 0.281 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.218 -4.497 1.010 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.977 -6.112 1.719 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.660 -4.799 2.708 1.00 15.00 H new ATOM 1079 N VAL A 75 6.306 -3.935 2.407 1.00 15.00 N ATOM 1080 CA VAL A 75 7.207 -2.795 2.520 1.00 15.00 C ATOM 1081 C VAL A 75 8.327 -2.956 1.507 1.00 15.00 C ATOM 1082 O VAL A 75 8.747 -2.001 0.856 1.00 15.00 O ATOM 1083 CB VAL A 75 7.782 -2.705 3.956 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.294 -2.889 3.980 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.394 -1.398 4.616 1.00 15.00 C ATOM 0 H VAL A 75 6.009 -4.325 3.302 1.00 15.00 H new ATOM 0 HA VAL A 75 6.662 -1.873 2.318 1.00 15.00 H new ATOM 0 HB VAL A 75 7.344 -3.525 4.526 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.653 -2.818 5.007 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.548 -3.868 3.574 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.765 -2.113 3.377 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.810 -1.361 5.623 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.784 -0.565 4.031 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.308 -1.326 4.670 1.00 15.00 H new ATOM 1095 N GLU A 76 8.776 -4.195 1.369 1.00 15.00 N ATOM 1096 CA GLU A 76 9.820 -4.525 0.420 1.00 15.00 C ATOM 1097 C GLU A 76 9.315 -4.345 -1.008 1.00 15.00 C ATOM 1098 O GLU A 76 9.999 -3.757 -1.840 1.00 15.00 O ATOM 1099 CB GLU A 76 10.301 -5.962 0.629 1.00 15.00 C ATOM 1100 CG GLU A 76 10.666 -6.277 2.071 1.00 15.00 C ATOM 1101 CD GLU A 76 12.070 -6.832 2.210 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.242 -8.058 2.046 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.997 -6.041 2.482 1.00 15.00 O ATOM 0 H GLU A 76 8.429 -4.989 1.907 1.00 15.00 H new ATOM 0 HA GLU A 76 10.659 -3.849 0.585 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.520 -6.649 0.302 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.170 -6.142 -0.005 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.577 -5.371 2.671 1.00 15.00 H new ATOM 0 HG3 GLU A 76 9.953 -6.997 2.473 1.00 15.00 H new ATOM 1110 N THR A 77 8.110 -4.850 -1.292 1.00 15.00 N ATOM 1111 CA THR A 77 7.541 -4.725 -2.632 1.00 15.00 C ATOM 1112 C THR A 77 7.283 -3.264 -2.991 1.00 15.00 C ATOM 1113 O THR A 77 7.735 -2.786 -4.032 1.00 15.00 O ATOM 1114 CB THR A 77 6.251 -5.533 -2.765 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.420 -5.352 -1.635 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.488 -7.018 -2.931 1.00 15.00 C ATOM 0 H THR A 77 7.520 -5.342 -0.621 1.00 15.00 H new ATOM 0 HA THR A 77 8.274 -5.128 -3.331 1.00 15.00 H new ATOM 0 HB THR A 77 5.770 -5.155 -3.668 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.669 -4.523 -1.176 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.531 -7.532 -3.020 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.079 -7.194 -3.830 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.026 -7.400 -2.063 1.00 15.00 H new ATOM 1124 N LEU A 78 6.555 -2.554 -2.128 1.00 15.00 N ATOM 1125 CA LEU A 78 6.249 -1.145 -2.373 1.00 15.00 C ATOM 1126 C LEU A 78 7.532 -0.374 -2.636 1.00 15.00 C ATOM 1127 O LEU A 78 7.636 0.381 -3.603 1.00 15.00 O ATOM 1128 CB LEU A 78 5.516 -0.523 -1.180 1.00 15.00 C ATOM 1129 CG LEU A 78 4.502 -1.429 -0.478 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.715 -0.641 0.558 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.562 -2.069 -1.491 1.00 15.00 C ATOM 0 H LEU A 78 6.169 -2.928 -1.261 1.00 15.00 H new ATOM 0 HA LEU A 78 5.599 -1.088 -3.246 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.258 -0.203 -0.448 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.999 0.373 -1.522 1.00 15.00 H new ATOM 0 HG LEU A 78 5.046 -2.224 0.032 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.998 -1.299 1.048 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.400 -0.232 1.301 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.183 0.174 0.068 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.849 -2.709 -0.972 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.024 -1.290 -2.031 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.139 -2.667 -2.196 1.00 15.00 H new ATOM 1143 N ARG A 79 8.509 -0.587 -1.769 1.00 15.00 N ATOM 1144 CA ARG A 79 9.800 0.065 -1.893 1.00 15.00 C ATOM 1145 C ARG A 79 10.546 -0.462 -3.118 1.00 15.00 C ATOM 1146 O ARG A 79 10.893 0.298 -4.022 1.00 15.00 O ATOM 1147 CB ARG A 79 10.617 -0.172 -0.623 1.00 15.00 C ATOM 1148 CG ARG A 79 11.580 0.958 -0.297 1.00 15.00 C ATOM 1149 CD ARG A 79 10.838 2.223 0.102 1.00 15.00 C ATOM 1150 NE ARG A 79 11.471 2.893 1.236 1.00 15.00 N ATOM 1151 CZ ARG A 79 11.214 4.150 1.591 1.00 15.00 C ATOM 1152 NH1 ARG A 79 10.340 4.875 0.904 1.00 15.00 N ATOM 1153 NH2 ARG A 79 11.833 4.683 2.636 1.00 15.00 N ATOM 0 H ARG A 79 8.430 -1.212 -0.966 1.00 15.00 H new ATOM 0 HA ARG A 79 9.649 1.137 -2.022 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.936 -0.310 0.216 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.181 -1.098 -0.732 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.241 0.652 0.513 1.00 15.00 H new ATOM 0 HG3 ARG A 79 12.210 1.162 -1.163 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.801 2.905 -0.748 1.00 15.00 H new ATOM 0 HD3 ARG A 79 9.808 1.974 0.357 1.00 15.00 H new ATOM 0 HE ARG A 79 12.149 2.367 1.787 1.00 15.00 H new ATOM 0 HH11 ARG A 79 9.861 4.470 0.100 1.00 15.00 H new ATOM 0 HH12 ARG A 79 10.147 5.838 1.180 1.00 15.00 H new ATOM 0 HH21 ARG A 79 12.506 4.130 3.167 1.00 15.00 H new ATOM 0 HH22 ARG A 79 11.637 5.646 2.908 1.00 15.00 H new ATOM 1167 N ASN A 80 10.783 -1.771 -3.134 1.00 15.00 N ATOM 1168 CA ASN A 80 11.481 -2.427 -4.239 1.00 15.00 C ATOM 1169 C ASN A 80 10.673 -2.373 -5.537 1.00 15.00 C ATOM 1170 O ASN A 80 10.309 -3.411 -6.091 1.00 15.00 O ATOM 1171 CB ASN A 80 11.776 -3.885 -3.882 1.00 15.00 C ATOM 1172 CG ASN A 80 12.591 -4.017 -2.611 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.481 -3.209 -2.343 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.291 -5.040 -1.818 1.00 15.00 N ATOM 0 H ASN A 80 10.499 -2.405 -2.387 1.00 15.00 H new ATOM 0 HA ASN A 80 12.415 -1.888 -4.400 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.836 -4.425 -3.765 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.313 -4.356 -4.705 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.806 -5.179 -0.949 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.546 -5.686 -2.079 1.00 15.00 H new ATOM 1181 N THR A 81 10.400 -1.170 -6.028 1.00 15.00 N ATOM 1182 CA THR A 81 9.644 -1.013 -7.267 1.00 15.00 C ATOM 1183 C THR A 81 10.591 -0.842 -8.454 1.00 15.00 C ATOM 1184 O THR A 81 10.731 -1.743 -9.281 1.00 15.00 O ATOM 1185 CB THR A 81 8.682 0.174 -7.172 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.898 0.907 -5.977 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.226 -0.238 -7.196 1.00 15.00 C ATOM 0 H THR A 81 10.688 -0.294 -5.592 1.00 15.00 H new ATOM 0 HA THR A 81 9.054 -1.916 -7.422 1.00 15.00 H new ATOM 0 HB THR A 81 8.891 0.784 -8.051 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.326 0.550 -5.266 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.596 0.649 -7.125 1.00 15.00 H new ATOM 0 HG22 THR A 81 7.012 -0.762 -8.127 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.020 -0.897 -6.353 1.00 15.00 H new ATOM 1195 N GLY A 82 11.248 0.312 -8.525 1.00 15.00 N ATOM 1196 CA GLY A 82 12.181 0.570 -9.603 1.00 15.00 C ATOM 1197 C GLY A 82 11.833 1.805 -10.411 1.00 15.00 C ATOM 1198 O GLY A 82 12.063 2.932 -9.972 1.00 15.00 O ATOM 0 H GLY A 82 11.149 1.073 -7.853 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.182 0.685 -9.188 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.208 -0.295 -10.266 1.00 15.00 H new ATOM 1202 N GLN A 83 11.295 1.586 -11.603 1.00 15.00 N ATOM 1203 CA GLN A 83 10.928 2.683 -12.499 1.00 15.00 C ATOM 1204 C GLN A 83 9.810 3.548 -11.916 1.00 15.00 C ATOM 1205 O GLN A 83 10.070 4.596 -11.326 1.00 15.00 O ATOM 1206 CB GLN A 83 10.518 2.148 -13.880 1.00 15.00 C ATOM 1207 CG GLN A 83 9.827 0.792 -13.847 1.00 15.00 C ATOM 1208 CD GLN A 83 8.673 0.702 -14.827 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.507 0.696 -14.432 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.993 0.632 -16.113 1.00 15.00 N ATOM 0 H GLN A 83 11.101 0.657 -11.976 1.00 15.00 H new ATOM 0 HA GLN A 83 11.811 3.312 -12.611 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.853 2.870 -14.354 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.407 2.075 -14.507 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.554 0.012 -14.075 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.459 0.600 -12.839 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.973 0.640 -16.396 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.259 0.570 -16.819 1.00 15.00 H new ATOM 1219 N VAL A 84 8.567 3.111 -12.097 1.00 15.00 N ATOM 1220 CA VAL A 84 7.411 3.848 -11.599 1.00 15.00 C ATOM 1221 C VAL A 84 6.760 3.112 -10.429 1.00 15.00 C ATOM 1222 O VAL A 84 6.954 1.909 -10.251 1.00 15.00 O ATOM 1223 CB VAL A 84 6.375 4.068 -12.726 1.00 15.00 C ATOM 1224 CG1 VAL A 84 5.064 4.618 -12.181 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.941 5.002 -13.783 1.00 15.00 C ATOM 0 H VAL A 84 8.335 2.247 -12.587 1.00 15.00 H new ATOM 0 HA VAL A 84 7.760 4.819 -11.249 1.00 15.00 H new ATOM 0 HB VAL A 84 6.164 3.100 -13.180 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.360 4.760 -13.001 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.645 3.914 -11.461 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.247 5.574 -11.690 1.00 15.00 H new ATOM 0 HG21 VAL A 84 6.203 5.149 -14.571 1.00 15.00 H new ATOM 0 HG22 VAL A 84 7.183 5.963 -13.328 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.844 4.565 -14.209 1.00 15.00 H new ATOM 1235 N VAL A 85 5.985 3.842 -9.637 1.00 15.00 N ATOM 1236 CA VAL A 85 5.307 3.264 -8.486 1.00 15.00 C ATOM 1237 C VAL A 85 3.860 2.920 -8.834 1.00 15.00 C ATOM 1238 O VAL A 85 2.934 3.659 -8.501 1.00 15.00 O ATOM 1239 CB VAL A 85 5.346 4.237 -7.285 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.334 3.860 -6.214 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.750 4.301 -6.701 1.00 15.00 C ATOM 0 H VAL A 85 5.811 4.838 -9.772 1.00 15.00 H new ATOM 0 HA VAL A 85 5.829 2.348 -8.209 1.00 15.00 H new ATOM 0 HB VAL A 85 5.072 5.226 -7.653 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.396 4.570 -5.389 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.330 3.883 -6.638 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.550 2.857 -5.846 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.762 4.990 -5.856 1.00 15.00 H new ATOM 0 HG22 VAL A 85 7.049 3.309 -6.364 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.446 4.650 -7.464 1.00 15.00 H new ATOM 1251 N HIS A 86 3.679 1.788 -9.508 1.00 15.00 N ATOM 1252 CA HIS A 86 2.350 1.335 -9.903 1.00 15.00 C ATOM 1253 C HIS A 86 1.847 0.255 -8.952 1.00 15.00 C ATOM 1254 O HIS A 86 2.008 -0.938 -9.209 1.00 15.00 O ATOM 1255 CB HIS A 86 2.374 0.802 -11.337 1.00 15.00 C ATOM 1256 CG HIS A 86 1.168 1.188 -12.136 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.085 1.340 -11.581 1.00 15.00 N ATOM 1258 CD2 HIS A 86 1.028 1.455 -13.456 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -0.943 1.683 -12.524 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.294 1.760 -13.671 1.00 15.00 N ATOM 0 H HIS A 86 4.437 1.167 -9.792 1.00 15.00 H new ATOM 0 HA HIS A 86 1.670 2.185 -9.854 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.267 1.173 -11.840 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.451 -0.285 -11.311 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.810 1.432 -14.201 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -1.997 1.869 -12.381 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.707 2.006 -14.571 1.00 15.00 H new ATOM 1269 N LEU A 87 1.246 0.683 -7.848 1.00 15.00 N ATOM 1270 CA LEU A 87 0.728 -0.241 -6.848 1.00 15.00 C ATOM 1271 C LEU A 87 -0.776 -0.438 -6.995 1.00 15.00 C ATOM 1272 O LEU A 87 -1.542 0.518 -6.934 1.00 15.00 O ATOM 1273 CB LEU A 87 1.041 0.280 -5.445 1.00 15.00 C ATOM 1274 CG LEU A 87 1.936 -0.629 -4.610 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.049 0.169 -3.947 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.109 -1.367 -3.568 1.00 15.00 C ATOM 0 H LEU A 87 1.105 1.668 -7.623 1.00 15.00 H new ATOM 0 HA LEU A 87 1.214 -1.205 -7.001 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.519 1.256 -5.533 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.103 0.432 -4.912 1.00 15.00 H new ATOM 0 HG LEU A 87 2.397 -1.363 -5.271 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.675 -0.500 -3.357 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.656 0.652 -4.713 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.615 0.928 -3.296 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.759 -2.013 -2.978 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.622 -0.645 -2.912 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.352 -1.972 -4.066 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.192 -1.687 -7.169 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.609 -2.008 -7.301 1.00 15.00 C ATOM 1290 C LEU A 88 -3.157 -2.491 -5.966 1.00 15.00 C ATOM 1291 O LEU A 88 -2.945 -3.638 -5.572 1.00 15.00 O ATOM 1292 CB LEU A 88 -2.815 -3.073 -8.379 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.893 -2.540 -9.812 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -1.842 -1.464 -10.043 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -2.725 -3.675 -10.811 1.00 15.00 C ATOM 0 H LEU A 88 -0.570 -2.493 -7.222 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.149 -1.109 -7.599 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -1.997 -3.791 -8.319 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.734 -3.617 -8.160 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.876 -2.093 -9.959 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.914 -1.099 -11.067 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.008 -0.639 -9.351 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -0.850 -1.883 -9.877 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -2.783 -3.279 -11.825 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -1.755 -4.150 -10.662 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -3.516 -4.410 -10.663 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.843 -1.600 -5.263 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.400 -1.927 -3.958 1.00 15.00 C ATOM 1309 C LEU A 89 -5.909 -2.111 -4.015 1.00 15.00 C ATOM 1310 O LEU A 89 -6.494 -2.286 -5.083 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.073 -0.833 -2.939 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.042 0.190 -3.385 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.122 1.418 -2.506 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.657 -0.415 -3.338 1.00 15.00 C ATOM 0 H LEU A 89 -4.027 -0.646 -5.574 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.945 -2.868 -3.650 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.995 -0.308 -2.687 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.716 -1.307 -2.025 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.251 0.487 -4.413 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.380 2.147 -2.831 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.118 1.855 -2.581 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.926 1.138 -1.471 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.925 0.326 -3.659 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.432 -0.729 -2.319 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.614 -1.279 -4.002 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.527 -2.044 -2.841 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.970 -2.174 -2.714 1.00 15.00 C ATOM 1328 C GLU A 90 -8.499 -1.151 -1.712 1.00 15.00 C ATOM 1329 O GLU A 90 -7.855 -0.869 -0.701 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.345 -3.601 -2.293 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.521 -3.682 -1.329 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.942 -5.110 -1.042 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.051 -5.964 -0.851 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.162 -5.374 -1.008 1.00 15.00 O ATOM 0 H GLU A 90 -6.042 -1.899 -1.955 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.431 -1.978 -3.682 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.582 -4.180 -3.186 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.477 -4.070 -1.829 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.254 -3.191 -0.393 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.366 -3.135 -1.746 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.669 -0.593 -2.001 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.276 0.405 -1.128 1.00 15.00 C ATOM 1343 C LYS A 91 -10.401 -0.117 0.301 1.00 15.00 C ATOM 1344 O LYS A 91 -11.284 -0.919 0.606 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.651 0.807 -1.663 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.057 2.224 -1.294 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.476 3.240 -2.264 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.976 4.480 -1.539 1.00 15.00 C ATOM 1349 NZ LYS A 91 -10.351 5.455 -2.474 1.00 15.00 N ATOM 0 H LYS A 91 -10.216 -0.815 -2.833 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.628 1.281 -1.114 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.652 0.709 -2.749 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.398 0.112 -1.279 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.144 2.303 -1.291 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.718 2.449 -0.283 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.655 2.786 -2.819 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -12.235 3.525 -2.993 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.807 4.957 -1.019 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.250 4.189 -0.780 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -10.023 6.286 -1.941 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.542 5.009 -2.951 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.050 5.753 -3.184 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.510 0.346 1.171 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.532 -0.081 2.557 1.00 15.00 C ATOM 1365 C GLY A 92 -10.698 0.508 3.328 1.00 15.00 C ATOM 1366 O GLY A 92 -11.105 1.643 3.079 1.00 15.00 O ATOM 0 H GLY A 92 -8.772 1.011 0.940 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.586 -1.169 2.598 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.598 0.210 3.038 1.00 15.00 H new ATOM 1370 N GLN A 93 -11.236 -0.265 4.266 1.00 15.00 N ATOM 1371 CA GLN A 93 -12.362 0.187 5.075 1.00 15.00 C ATOM 1372 C GLN A 93 -11.887 1.076 6.220 1.00 15.00 C ATOM 1373 O GLN A 93 -10.817 0.856 6.788 1.00 15.00 O ATOM 1374 CB GLN A 93 -13.132 -1.012 5.630 1.00 15.00 C ATOM 1375 CG GLN A 93 -14.390 -0.629 6.391 1.00 15.00 C ATOM 1376 CD GLN A 93 -14.710 -1.597 7.514 1.00 15.00 C ATOM 1377 OE1 GLN A 93 -13.831 -1.984 8.284 1.00 15.00 O ATOM 1378 NE2 GLN A 93 -15.973 -1.993 7.611 1.00 15.00 N ATOM 0 H GLN A 93 -10.911 -1.207 4.484 1.00 15.00 H new ATOM 0 HA GLN A 93 -13.025 0.771 4.437 1.00 15.00 H new ATOM 0 HB2 GLN A 93 -13.403 -1.672 4.806 1.00 15.00 H new ATOM 0 HB3 GLN A 93 -12.477 -1.580 6.291 1.00 15.00 H new ATOM 0 HG2 GLN A 93 -14.270 0.373 6.803 1.00 15.00 H new ATOM 0 HG3 GLN A 93 -15.231 -0.590 5.699 1.00 15.00 H new ATOM 0 HE21 GLN A 93 -16.668 -1.646 6.950 1.00 15.00 H new ATOM 0 HE22 GLN A 93 -16.248 -2.644 8.346 1.00 15.00 H new ATOM 1387 N SER A 94 -12.690 2.082 6.553 1.00 15.00 N ATOM 1388 CA SER A 94 -12.352 3.006 7.630 1.00 15.00 C ATOM 1389 C SER A 94 -12.901 2.511 8.968 1.00 15.00 C ATOM 1390 O SER A 94 -14.114 2.486 9.176 1.00 15.00 O ATOM 1391 CB SER A 94 -12.907 4.399 7.326 1.00 15.00 C ATOM 1392 OG SER A 94 -11.991 5.409 7.711 1.00 15.00 O ATOM 0 H SER A 94 -13.579 2.278 6.093 1.00 15.00 H new ATOM 0 HA SER A 94 -11.266 3.059 7.700 1.00 15.00 H new ATOM 0 HB2 SER A 94 -13.120 4.484 6.260 1.00 15.00 H new ATOM 0 HB3 SER A 94 -13.851 4.540 7.852 1.00 15.00 H new ATOM 0 HG SER A 94 -12.369 6.289 7.504 1.00 15.00 H new ATOM 1398 N PRO A 95 -12.015 2.108 9.898 1.00 15.00 N ATOM 1399 CA PRO A 95 -12.427 1.613 11.217 1.00 15.00 C ATOM 1400 C PRO A 95 -13.246 2.643 11.988 1.00 15.00 C ATOM 1401 O PRO A 95 -13.060 3.848 11.823 1.00 15.00 O ATOM 1402 CB PRO A 95 -11.101 1.342 11.936 1.00 15.00 C ATOM 1403 CG PRO A 95 -10.094 1.195 10.848 1.00 15.00 C ATOM 1404 CD PRO A 95 -10.550 2.101 9.741 1.00 15.00 C ATOM 0 HA PRO A 95 -13.067 0.734 11.137 1.00 15.00 H new ATOM 0 HB2 PRO A 95 -10.841 2.161 12.606 1.00 15.00 H new ATOM 0 HB3 PRO A 95 -11.159 0.439 12.544 1.00 15.00 H new ATOM 0 HG2 PRO A 95 -9.099 1.473 11.196 1.00 15.00 H new ATOM 0 HG3 PRO A 95 -10.035 0.161 10.507 1.00 15.00 H new ATOM 0 HD2 PRO A 95 -10.129 3.102 9.840 1.00 15.00 H new ATOM 0 HD3 PRO A 95 -10.251 1.724 8.763 1.00 15.00 H new ATOM 1412 N THR A 96 -14.154 2.159 12.831 1.00 15.00 N ATOM 1413 CA THR A 96 -15.001 3.039 13.628 1.00 15.00 C ATOM 1414 C THR A 96 -14.445 3.197 15.039 1.00 15.00 C ATOM 1415 O THR A 96 -13.722 4.186 15.283 1.00 15.00 O ATOM 1416 CB THR A 96 -16.428 2.492 13.687 1.00 15.00 C ATOM 1417 OG1 THR A 96 -17.202 3.212 14.630 1.00 15.00 O ATOM 1418 CG2 THR A 96 -16.492 1.027 14.064 1.00 15.00 C ATOM 1419 OXT THR A 96 -14.739 2.331 15.890 1.00 15.00 O ATOM 0 H THR A 96 -14.321 1.164 12.979 1.00 15.00 H new ATOM 0 HA THR A 96 -15.015 4.019 13.151 1.00 15.00 H new ATOM 0 HB THR A 96 -16.824 2.609 12.678 1.00 15.00 H new ATOM 0 HG1 THR A 96 -18.112 2.848 14.652 1.00 15.00 H new ATOM 0 HG21 THR A 96 -17.532 0.703 14.088 1.00 15.00 H new ATOM 0 HG22 THR A 96 -15.945 0.438 13.328 1.00 15.00 H new ATOM 0 HG23 THR A 96 -16.045 0.885 15.048 1.00 15.00 H new TER 1427 THR A 96