USER MOD reduce.3.24.130724 H: found=0, std=0, add=1057, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1058 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 110 LYS NZ :NH3+ -106:sc= -1.28 (180deg=-4.49!) USER MOD Set 1.2: A 111 THR OG1 : rot -150:sc= -1.06 USER MOD Set 2.1: A 43 MET CE :methyl -148:sc= -3.92! (180deg=-7.45!) USER MOD Set 2.2: A 44 THR OG1 : rot 79:sc= 0.142 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.81! K(o=-2.8!,f=-1.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.45) USER MOD Single : A 11 ASN : amide:sc= -7.46! C(o=-7.5!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -151:sc= -6.38! (180deg=-9.7!) USER MOD Single : A 18 GLN : amide:sc= -0.034 K(o=-0.034,f=-1.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 43:sc= 0.614 USER MOD Single : A 28 SER OG : rot 180:sc= -0.72 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.466 K(o=-0.47,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 53 ASN : amide:sc= -1.02 K(o=-1,f=-0.17) USER MOD Single : A 57 THR OG1 : rot 170:sc=-0.00778 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -1.98! K(o=-2!,f=-0.72) USER MOD Single : A 69 HIS : no HE2:sc= -4.12! C(o=-4.1!,f=-7.5!) USER MOD Single : A 70 HIS : no HE2:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 72 ASN : amide:sc=-0.000359 K(o=-0.00036,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -107:sc= -10.4! (180deg=-17.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-5.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0634 USER MOD Single : A 86 MET CE :methyl 168:sc= -7.18! (180deg=-8!) USER MOD Single : A 88 GLN : amide:sc= -9.53! C(o=-9.5!,f=-8.7!) USER MOD Single : A 89 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.6) USER MOD Single : A 95 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-6.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc=-0.00647 K(o=-0.0065,f=-1.6) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 MET CE :methyl -167:sc= -0.0536 (180deg=-0.447) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -20.8! C(o=-21!,f=-20!) USER MOD Single : A 124 LYS NZ :NH3+ 171:sc= 0.792 (180deg=0.144) USER MOD Single : A 126 ASN : amide:sc= -2.49! C(o=-2.5!,f=-1.5!) USER MOD Single : A 130 ASN : amide:sc= -0.388 K(o=-0.39,f=-4.5!) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 26 N GLU A 3 -6.940 -9.655 -11.842 1.00 0.00 N ATOM 27 CA GLU A 3 -7.144 -9.099 -10.515 1.00 0.00 C ATOM 28 C GLU A 3 -7.534 -7.622 -10.611 1.00 0.00 C ATOM 29 O GLU A 3 -8.181 -7.089 -9.712 1.00 0.00 O ATOM 30 CB GLU A 3 -5.897 -9.281 -9.647 1.00 0.00 C ATOM 31 CG GLU A 3 -5.855 -10.684 -9.037 1.00 0.00 C ATOM 32 CD GLU A 3 -4.759 -11.533 -9.685 1.00 0.00 C ATOM 33 OE1 GLU A 3 -3.576 -11.251 -9.393 1.00 0.00 O ATOM 34 OE2 GLU A 3 -5.129 -12.442 -10.458 1.00 0.00 O ATOM 0 HA GLU A 3 -7.961 -9.640 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.003 -9.115 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.890 -8.535 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.677 -10.612 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.822 -11.170 -9.168 1.00 0.00 H new ATOM 41 N ILE A 4 -7.122 -7.006 -11.710 1.00 0.00 N ATOM 42 CA ILE A 4 -7.420 -5.601 -11.934 1.00 0.00 C ATOM 43 C ILE A 4 -8.938 -5.405 -11.961 1.00 0.00 C ATOM 44 O ILE A 4 -9.446 -4.404 -11.457 1.00 0.00 O ATOM 45 CB ILE A 4 -6.712 -5.098 -13.193 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.310 -5.699 -13.310 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.686 -3.569 -13.234 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.582 -5.662 -11.965 1.00 0.00 C ATOM 0 H ILE A 4 -6.585 -7.453 -12.453 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.034 -4.993 -11.115 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.279 -5.433 -14.061 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.380 -6.729 -13.661 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.735 -5.147 -14.054 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.177 -3.238 -14.139 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.707 -3.188 -13.232 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.155 -3.191 -12.360 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.588 -6.095 -12.077 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.492 -4.629 -11.628 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.147 -6.235 -11.230 1.00 0.00 H new ATOM 60 N MET A 5 -9.617 -6.375 -12.555 1.00 0.00 N ATOM 61 CA MET A 5 -11.066 -6.320 -12.654 1.00 0.00 C ATOM 62 C MET A 5 -11.724 -6.849 -11.377 1.00 0.00 C ATOM 63 O MET A 5 -12.949 -6.879 -11.273 1.00 0.00 O ATOM 64 CB MET A 5 -11.528 -7.155 -13.851 1.00 0.00 C ATOM 65 CG MET A 5 -12.530 -6.379 -14.706 1.00 0.00 C ATOM 66 SD MET A 5 -14.196 -6.858 -14.280 1.00 0.00 S ATOM 67 CE MET A 5 -15.071 -5.367 -14.726 1.00 0.00 C ATOM 0 H MET A 5 -9.191 -7.203 -12.972 1.00 0.00 H new ATOM 0 HA MET A 5 -11.363 -5.280 -12.789 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.667 -7.435 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.984 -8.080 -13.499 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.400 -5.308 -14.551 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.346 -6.573 -15.763 1.00 0.00 H new ATOM 0 HE1 MET A 5 -16.134 -5.494 -14.523 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.687 -4.531 -14.141 1.00 0.00 H new ATOM 0 HE3 MET A 5 -14.926 -5.164 -15.787 1.00 0.00 H new ATOM 77 N LYS A 6 -10.880 -7.251 -10.439 1.00 0.00 N ATOM 78 CA LYS A 6 -11.363 -7.777 -9.174 1.00 0.00 C ATOM 79 C LYS A 6 -10.884 -6.875 -8.035 1.00 0.00 C ATOM 80 O LYS A 6 -9.706 -6.892 -7.680 1.00 0.00 O ATOM 81 CB LYS A 6 -10.955 -9.243 -9.012 1.00 0.00 C ATOM 82 CG LYS A 6 -12.077 -10.056 -8.363 1.00 0.00 C ATOM 83 CD LYS A 6 -11.713 -11.540 -8.296 1.00 0.00 C ATOM 84 CE LYS A 6 -12.887 -12.414 -8.739 1.00 0.00 C ATOM 85 NZ LYS A 6 -12.791 -13.758 -8.127 1.00 0.00 N ATOM 0 H LYS A 6 -9.864 -7.223 -10.530 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.453 -7.770 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.711 -9.666 -9.987 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.054 -9.308 -8.402 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.269 -9.680 -7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.998 -9.930 -8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.850 -11.735 -8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.424 -11.802 -7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.827 -11.943 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.893 -12.502 -9.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.595 -14.339 -8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.902 -14.211 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.808 -13.670 -7.091 1.00 0.00 H new ATOM 99 N ASN A 7 -11.821 -6.110 -7.493 1.00 0.00 N ATOM 100 CA ASN A 7 -11.507 -5.204 -6.402 1.00 0.00 C ATOM 101 C ASN A 7 -12.322 -5.599 -5.168 1.00 0.00 C ATOM 102 O ASN A 7 -13.492 -5.954 -5.281 1.00 0.00 O ATOM 103 CB ASN A 7 -11.865 -3.761 -6.764 1.00 0.00 C ATOM 104 CG ASN A 7 -13.380 -3.545 -6.719 1.00 0.00 C ATOM 105 OD1 ASN A 7 -14.109 -3.885 -7.635 1.00 0.00 O ATOM 106 ND2 ASN A 7 -13.810 -2.961 -5.604 1.00 0.00 N ATOM 0 H ASN A 7 -12.797 -6.099 -7.789 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.437 -5.271 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.376 -3.076 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.490 -3.528 -7.761 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.804 -2.773 -5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.145 -2.701 -4.875 1.00 0.00 H new ATOM 113 N LEU A 8 -11.667 -5.521 -4.017 1.00 0.00 N ATOM 114 CA LEU A 8 -12.315 -5.866 -2.764 1.00 0.00 C ATOM 115 C LEU A 8 -13.533 -4.961 -2.559 1.00 0.00 C ATOM 116 O LEU A 8 -13.800 -4.080 -3.374 1.00 0.00 O ATOM 117 CB LEU A 8 -11.312 -5.817 -1.610 1.00 0.00 C ATOM 118 CG LEU A 8 -11.728 -6.542 -0.329 1.00 0.00 C ATOM 119 CD1 LEU A 8 -10.608 -7.455 0.173 1.00 0.00 C ATOM 120 CD2 LEU A 8 -12.178 -5.547 0.742 1.00 0.00 C ATOM 0 H LEU A 8 -10.695 -5.224 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.680 -6.892 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.370 -6.243 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.119 -4.772 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.583 -7.178 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.930 -7.958 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.376 -8.199 -0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.719 -6.860 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.468 -6.088 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.358 -4.868 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.029 -4.975 0.372 1.00 0.00 H new ATOM 132 N SER A 9 -14.238 -5.211 -1.466 1.00 0.00 N ATOM 133 CA SER A 9 -15.420 -4.430 -1.143 1.00 0.00 C ATOM 134 C SER A 9 -15.110 -2.937 -1.261 1.00 0.00 C ATOM 135 O SER A 9 -15.173 -2.370 -2.352 1.00 0.00 O ATOM 136 CB SER A 9 -15.929 -4.756 0.263 1.00 0.00 C ATOM 137 OG SER A 9 -16.469 -6.073 0.343 1.00 0.00 O ATOM 0 H SER A 9 -14.014 -5.943 -0.793 1.00 0.00 H new ATOM 0 HA SER A 9 -16.205 -4.689 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.112 -4.655 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.693 -4.033 0.549 1.00 0.00 H new ATOM 0 HG SER A 9 -16.781 -6.244 1.256 1.00 0.00 H new ATOM 143 N ASN A 10 -14.780 -2.342 -0.125 1.00 0.00 N ATOM 144 CA ASN A 10 -14.459 -0.925 -0.087 1.00 0.00 C ATOM 145 C ASN A 10 -13.005 -0.747 0.356 1.00 0.00 C ATOM 146 O ASN A 10 -12.314 0.152 -0.120 1.00 0.00 O ATOM 147 CB ASN A 10 -15.351 -0.184 0.912 1.00 0.00 C ATOM 148 CG ASN A 10 -15.784 -1.109 2.051 1.00 0.00 C ATOM 149 OD1 ASN A 10 -15.241 -1.087 3.143 1.00 0.00 O ATOM 150 ND2 ASN A 10 -16.790 -1.921 1.735 1.00 0.00 N ATOM 0 H ASN A 10 -14.728 -2.815 0.777 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.619 -0.517 -1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.814 0.673 1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.231 0.205 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.152 -2.577 2.427 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.199 -1.887 0.801 1.00 0.00 H new ATOM 157 N ASN A 11 -12.585 -1.620 1.259 1.00 0.00 N ATOM 158 CA ASN A 11 -11.224 -1.570 1.770 1.00 0.00 C ATOM 159 C ASN A 11 -10.279 -1.130 0.651 1.00 0.00 C ATOM 160 O ASN A 11 -9.315 -0.408 0.898 1.00 0.00 O ATOM 161 CB ASN A 11 -10.771 -2.947 2.260 1.00 0.00 C ATOM 162 CG ASN A 11 -11.918 -3.692 2.944 1.00 0.00 C ATOM 163 OD1 ASN A 11 -13.059 -3.661 2.511 1.00 0.00 O ATOM 164 ND2 ASN A 11 -11.555 -4.362 4.034 1.00 0.00 N ATOM 0 H ASN A 11 -13.161 -2.365 1.650 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.200 -0.865 2.601 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.403 -3.533 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.940 -2.834 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.249 -4.892 4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.583 -4.346 4.342 1.00 0.00 H new ATOM 171 N PHE A 12 -10.589 -1.584 -0.555 1.00 0.00 N ATOM 172 CA PHE A 12 -9.778 -1.245 -1.712 1.00 0.00 C ATOM 173 C PHE A 12 -10.567 -0.381 -2.699 1.00 0.00 C ATOM 174 O PHE A 12 -10.237 0.786 -2.909 1.00 0.00 O ATOM 175 CB PHE A 12 -9.402 -2.562 -2.393 1.00 0.00 C ATOM 176 CG PHE A 12 -8.154 -3.229 -1.812 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.920 -2.863 -2.253 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.278 -4.186 -0.854 1.00 0.00 C ATOM 179 CE1 PHE A 12 -5.761 -3.482 -1.712 1.00 0.00 C ATOM 180 CE2 PHE A 12 -7.120 -4.805 -0.314 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.887 -4.440 -0.754 1.00 0.00 C ATOM 0 H PHE A 12 -11.390 -2.183 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.898 -0.682 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.241 -3.253 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.241 -2.377 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.821 -2.103 -3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.258 -4.475 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.781 -3.192 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.219 -5.566 0.446 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.006 -4.911 -0.343 1.00 0.00 H new ATOM 191 N GLY A 13 -11.592 -0.987 -3.278 1.00 0.00 N ATOM 192 CA GLY A 13 -12.431 -0.288 -4.238 1.00 0.00 C ATOM 193 C GLY A 13 -12.723 1.141 -3.773 1.00 0.00 C ATOM 194 O GLY A 13 -12.844 2.051 -4.591 1.00 0.00 O ATOM 0 H GLY A 13 -11.862 -1.955 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.937 -0.264 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.368 -0.830 -4.370 1.00 0.00 H new ATOM 198 N LYS A 14 -12.828 1.291 -2.461 1.00 0.00 N ATOM 199 CA LYS A 14 -13.104 2.593 -1.876 1.00 0.00 C ATOM 200 C LYS A 14 -11.811 3.408 -1.823 1.00 0.00 C ATOM 201 O LYS A 14 -11.763 4.534 -2.313 1.00 0.00 O ATOM 202 CB LYS A 14 -13.789 2.435 -0.517 1.00 0.00 C ATOM 203 CG LYS A 14 -14.415 3.754 -0.063 1.00 0.00 C ATOM 204 CD LYS A 14 -14.462 3.844 1.463 1.00 0.00 C ATOM 205 CE LYS A 14 -13.053 3.803 2.059 1.00 0.00 C ATOM 206 NZ LYS A 14 -13.035 4.445 3.391 1.00 0.00 N ATOM 0 H LYS A 14 -12.727 0.533 -1.786 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.806 3.149 -2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.559 1.666 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.063 2.099 0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.840 4.590 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.424 3.839 -0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.960 4.767 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.053 3.019 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.717 2.769 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.356 4.312 1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.072 4.408 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.335 5.437 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.685 3.942 4.028 1.00 0.00 H new ATOM 220 N ALA A 15 -10.794 2.805 -1.224 1.00 0.00 N ATOM 221 CA ALA A 15 -9.502 3.461 -1.102 1.00 0.00 C ATOM 222 C ALA A 15 -8.958 3.772 -2.497 1.00 0.00 C ATOM 223 O ALA A 15 -8.427 4.857 -2.732 1.00 0.00 O ATOM 224 CB ALA A 15 -8.555 2.575 -0.290 1.00 0.00 C ATOM 0 H ALA A 15 -10.838 1.870 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.601 4.407 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.586 3.066 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.973 2.409 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.430 1.617 -0.795 1.00 0.00 H new ATOM 230 N MET A 16 -9.107 2.802 -3.386 1.00 0.00 N ATOM 231 CA MET A 16 -8.639 2.958 -4.752 1.00 0.00 C ATOM 232 C MET A 16 -9.364 4.106 -5.454 1.00 0.00 C ATOM 233 O MET A 16 -8.745 4.898 -6.163 1.00 0.00 O ATOM 234 CB MET A 16 -8.870 1.658 -5.525 1.00 0.00 C ATOM 235 CG MET A 16 -7.576 1.172 -6.182 1.00 0.00 C ATOM 236 SD MET A 16 -6.763 -0.013 -5.123 1.00 0.00 S ATOM 237 CE MET A 16 -6.521 0.989 -3.666 1.00 0.00 C ATOM 0 H MET A 16 -9.546 1.903 -3.186 1.00 0.00 H new ATOM 0 HA MET A 16 -7.574 3.190 -4.725 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.249 0.891 -4.849 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.632 1.815 -6.288 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.797 0.718 -7.148 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.914 2.017 -6.371 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.635 0.646 -3.132 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.388 2.031 -3.959 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.392 0.903 -3.017 1.00 0.00 H new ATOM 247 N ASP A 17 -10.670 4.161 -5.232 1.00 0.00 N ATOM 248 CA ASP A 17 -11.488 5.200 -5.835 1.00 0.00 C ATOM 249 C ASP A 17 -11.120 6.552 -5.223 1.00 0.00 C ATOM 250 O ASP A 17 -10.930 7.532 -5.941 1.00 0.00 O ATOM 251 CB ASP A 17 -12.975 4.951 -5.572 1.00 0.00 C ATOM 252 CG ASP A 17 -13.905 6.093 -5.988 1.00 0.00 C ATOM 253 OD1 ASP A 17 -14.241 6.142 -7.190 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.258 6.891 -5.094 1.00 0.00 O ATOM 0 H ASP A 17 -11.181 3.503 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.305 5.193 -6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.276 4.047 -6.101 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.113 4.759 -4.508 1.00 0.00 H new ATOM 259 N GLN A 18 -11.031 6.564 -3.900 1.00 0.00 N ATOM 260 CA GLN A 18 -10.689 7.781 -3.183 1.00 0.00 C ATOM 261 C GLN A 18 -9.246 8.188 -3.489 1.00 0.00 C ATOM 262 O GLN A 18 -8.955 9.372 -3.656 1.00 0.00 O ATOM 263 CB GLN A 18 -10.902 7.607 -1.677 1.00 0.00 C ATOM 264 CG GLN A 18 -12.273 8.139 -1.255 1.00 0.00 C ATOM 265 CD GLN A 18 -12.354 8.301 0.265 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.354 8.368 0.961 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.595 8.359 0.737 1.00 0.00 N ATOM 0 H GLN A 18 -11.190 5.750 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.351 8.578 -3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.820 6.553 -1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.119 8.134 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.459 9.099 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.052 7.456 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.387 8.297 0.098 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.755 8.466 1.739 1.00 0.00 H new ATOM 276 N CYS A 19 -8.381 7.186 -3.551 1.00 0.00 N ATOM 277 CA CYS A 19 -6.976 7.426 -3.834 1.00 0.00 C ATOM 278 C CYS A 19 -6.868 8.078 -5.213 1.00 0.00 C ATOM 279 O CYS A 19 -6.043 8.966 -5.422 1.00 0.00 O ATOM 280 CB CYS A 19 -6.154 6.140 -3.744 1.00 0.00 C ATOM 281 SG CYS A 19 -5.524 5.746 -2.071 1.00 0.00 S ATOM 0 H CYS A 19 -8.626 6.206 -3.410 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.561 8.098 -3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.767 5.308 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.308 6.218 -4.426 1.00 0.00 H new ATOM 286 N LYS A 20 -7.713 7.611 -6.122 1.00 0.00 N ATOM 287 CA LYS A 20 -7.723 8.138 -7.476 1.00 0.00 C ATOM 288 C LYS A 20 -8.200 9.590 -7.450 1.00 0.00 C ATOM 289 O LYS A 20 -8.197 10.266 -8.477 1.00 0.00 O ATOM 290 CB LYS A 20 -8.549 7.234 -8.395 1.00 0.00 C ATOM 291 CG LYS A 20 -7.854 7.046 -9.746 1.00 0.00 C ATOM 292 CD LYS A 20 -8.806 6.425 -10.770 1.00 0.00 C ATOM 293 CE LYS A 20 -9.155 7.427 -11.873 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.135 6.841 -12.814 1.00 0.00 N ATOM 0 H LYS A 20 -8.395 6.873 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.715 8.142 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.697 6.264 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.537 7.669 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.497 8.009 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.979 6.407 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.346 5.540 -11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.718 6.096 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.565 8.335 -11.431 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.252 7.714 -12.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.361 7.534 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.731 5.987 -13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.003 6.590 -12.299 1.00 0.00 H new ATOM 308 N ASP A 21 -8.600 10.027 -6.265 1.00 0.00 N ATOM 309 CA ASP A 21 -9.079 11.388 -6.093 1.00 0.00 C ATOM 310 C ASP A 21 -8.084 12.170 -5.232 1.00 0.00 C ATOM 311 O ASP A 21 -7.408 13.072 -5.722 1.00 0.00 O ATOM 312 CB ASP A 21 -10.435 11.409 -5.384 1.00 0.00 C ATOM 313 CG ASP A 21 -11.514 12.246 -6.076 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.126 13.212 -6.766 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.701 11.899 -5.897 1.00 0.00 O ATOM 0 H ASP A 21 -8.602 9.463 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.181 11.837 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.795 10.384 -5.291 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.293 11.790 -4.373 1.00 0.00 H new ATOM 320 N GLU A 22 -8.027 11.795 -3.963 1.00 0.00 N ATOM 321 CA GLU A 22 -7.126 12.449 -3.029 1.00 0.00 C ATOM 322 C GLU A 22 -5.741 12.616 -3.656 1.00 0.00 C ATOM 323 O GLU A 22 -5.138 13.684 -3.564 1.00 0.00 O ATOM 324 CB GLU A 22 -7.044 11.674 -1.713 1.00 0.00 C ATOM 325 CG GLU A 22 -6.913 10.172 -1.969 1.00 0.00 C ATOM 326 CD GLU A 22 -8.026 9.396 -1.260 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.055 10.036 -0.951 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.822 8.182 -1.043 1.00 0.00 O ATOM 0 H GLU A 22 -8.590 11.046 -3.559 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.522 13.439 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.190 12.024 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.935 11.868 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.955 9.977 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.941 9.823 -1.619 1.00 0.00 H new ATOM 335 N LEU A 23 -5.276 11.543 -4.279 1.00 0.00 N ATOM 336 CA LEU A 23 -3.973 11.558 -4.922 1.00 0.00 C ATOM 337 C LEU A 23 -4.151 11.807 -6.420 1.00 0.00 C ATOM 338 O LEU A 23 -3.180 12.068 -7.129 1.00 0.00 O ATOM 339 CB LEU A 23 -3.203 10.275 -4.600 1.00 0.00 C ATOM 340 CG LEU A 23 -3.475 9.658 -3.226 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.601 8.136 -3.325 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.407 10.079 -2.215 1.00 0.00 C ATOM 0 H LEU A 23 -5.778 10.658 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.365 12.375 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.438 9.533 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.136 10.486 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.430 10.038 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.794 7.722 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.425 7.882 -3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.674 7.719 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.624 9.627 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.428 9.746 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.407 11.165 -2.117 1.00 0.00 H new ATOM 354 N SER A 24 -5.398 11.718 -6.859 1.00 0.00 N ATOM 355 CA SER A 24 -5.715 11.931 -8.260 1.00 0.00 C ATOM 356 C SER A 24 -4.813 11.064 -9.139 1.00 0.00 C ATOM 357 O SER A 24 -4.670 11.321 -10.334 1.00 0.00 O ATOM 358 CB SER A 24 -5.566 13.407 -8.641 1.00 0.00 C ATOM 359 OG SER A 24 -6.748 14.152 -8.363 1.00 0.00 O ATOM 0 H SER A 24 -6.201 11.501 -6.268 1.00 0.00 H new ATOM 0 HA SER A 24 -6.754 11.644 -8.422 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.728 13.840 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.329 13.485 -9.702 1.00 0.00 H new ATOM 0 HG SER A 24 -7.099 13.893 -7.486 1.00 0.00 H new ATOM 365 N LEU A 25 -4.227 10.052 -8.515 1.00 0.00 N ATOM 366 CA LEU A 25 -3.343 9.145 -9.225 1.00 0.00 C ATOM 367 C LEU A 25 -4.180 8.093 -9.957 1.00 0.00 C ATOM 368 O LEU A 25 -5.375 7.956 -9.700 1.00 0.00 O ATOM 369 CB LEU A 25 -2.307 8.549 -8.269 1.00 0.00 C ATOM 370 CG LEU A 25 -2.757 7.325 -7.469 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.222 7.455 -7.046 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.499 6.035 -8.249 1.00 0.00 C ATOM 0 H LEU A 25 -4.348 9.841 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.773 9.683 -9.982 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.424 8.276 -8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.001 9.325 -7.567 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.161 7.275 -6.558 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.517 6.572 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.344 8.342 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.850 7.543 -7.932 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.828 5.180 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.052 6.061 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.433 5.943 -8.458 1.00 0.00 H new ATOM 384 N PRO A 26 -3.502 7.360 -10.880 1.00 0.00 N ATOM 385 CA PRO A 26 -4.170 6.325 -11.652 1.00 0.00 C ATOM 386 C PRO A 26 -4.422 5.081 -10.797 1.00 0.00 C ATOM 387 O PRO A 26 -3.483 4.472 -10.288 1.00 0.00 O ATOM 388 CB PRO A 26 -3.248 6.058 -12.831 1.00 0.00 C ATOM 389 CG PRO A 26 -1.890 6.612 -12.433 1.00 0.00 C ATOM 390 CD PRO A 26 -2.086 7.495 -11.211 1.00 0.00 C ATOM 0 HA PRO A 26 -5.159 6.628 -11.997 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.187 4.991 -13.045 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.618 6.543 -13.734 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.197 5.801 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.457 7.185 -13.253 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.453 7.173 -10.384 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.826 8.532 -11.426 1.00 0.00 H new ATOM 398 N ASP A 27 -5.695 4.741 -10.667 1.00 0.00 N ATOM 399 CA ASP A 27 -6.085 3.581 -9.883 1.00 0.00 C ATOM 400 C ASP A 27 -5.605 2.311 -10.588 1.00 0.00 C ATOM 401 O ASP A 27 -5.833 1.204 -10.103 1.00 0.00 O ATOM 402 CB ASP A 27 -7.606 3.498 -9.739 1.00 0.00 C ATOM 403 CG ASP A 27 -8.359 3.156 -11.026 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.676 3.017 -12.064 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.601 3.040 -10.942 1.00 0.00 O ATOM 0 H ASP A 27 -6.471 5.249 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.636 3.675 -8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.844 2.747 -8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.973 4.453 -9.364 1.00 0.00 H new ATOM 410 N SER A 28 -4.951 2.513 -11.722 1.00 0.00 N ATOM 411 CA SER A 28 -4.439 1.398 -12.499 1.00 0.00 C ATOM 412 C SER A 28 -3.107 0.923 -11.918 1.00 0.00 C ATOM 413 O SER A 28 -2.863 -0.278 -11.815 1.00 0.00 O ATOM 414 CB SER A 28 -4.269 1.783 -13.970 1.00 0.00 C ATOM 415 OG SER A 28 -3.572 3.017 -14.122 1.00 0.00 O ATOM 0 H SER A 28 -4.764 3.433 -12.121 1.00 0.00 H new ATOM 0 HA SER A 28 -5.162 0.584 -12.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.727 0.994 -14.491 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.249 1.860 -14.440 1.00 0.00 H new ATOM 0 HG SER A 28 -3.482 3.227 -15.075 1.00 0.00 H new ATOM 421 N VAL A 29 -2.279 1.892 -11.553 1.00 0.00 N ATOM 422 CA VAL A 29 -0.976 1.587 -10.985 1.00 0.00 C ATOM 423 C VAL A 29 -1.162 0.885 -9.638 1.00 0.00 C ATOM 424 O VAL A 29 -0.404 -0.021 -9.296 1.00 0.00 O ATOM 425 CB VAL A 29 -0.139 2.864 -10.882 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.086 3.595 -12.224 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.673 3.781 -9.778 1.00 0.00 C ATOM 0 H VAL A 29 -2.485 2.887 -11.639 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.427 0.905 -11.634 1.00 0.00 H new ATOM 0 HB VAL A 29 0.879 2.577 -10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.515 4.499 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.361 2.944 -12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.096 3.864 -12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.061 4.681 -9.725 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.704 4.056 -10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.635 3.260 -8.822 1.00 0.00 H new ATOM 437 N VAL A 30 -2.179 1.328 -8.911 1.00 0.00 N ATOM 438 CA VAL A 30 -2.476 0.753 -7.610 1.00 0.00 C ATOM 439 C VAL A 30 -3.129 -0.616 -7.801 1.00 0.00 C ATOM 440 O VAL A 30 -2.953 -1.513 -6.977 1.00 0.00 O ATOM 441 CB VAL A 30 -3.337 1.719 -6.796 1.00 0.00 C ATOM 442 CG1 VAL A 30 -2.672 3.093 -6.692 1.00 0.00 C ATOM 443 CG2 VAL A 30 -4.743 1.834 -7.389 1.00 0.00 C ATOM 0 H VAL A 30 -2.807 2.078 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.559 0.599 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.431 1.315 -5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.306 3.761 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.703 2.992 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.533 3.506 -7.691 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.335 2.527 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.677 2.203 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.220 0.854 -7.386 1.00 0.00 H new ATOM 453 N ALA A 31 -3.872 -0.736 -8.891 1.00 0.00 N ATOM 454 CA ALA A 31 -4.555 -1.981 -9.201 1.00 0.00 C ATOM 455 C ALA A 31 -3.518 -3.054 -9.541 1.00 0.00 C ATOM 456 O ALA A 31 -3.827 -4.244 -9.537 1.00 0.00 O ATOM 457 CB ALA A 31 -5.550 -1.750 -10.339 1.00 0.00 C ATOM 0 H ALA A 31 -4.016 0.010 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.123 -2.332 -8.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.061 -2.684 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.282 -1.001 -10.036 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.017 -1.400 -11.223 1.00 0.00 H new ATOM 463 N ASP A 32 -2.309 -2.594 -9.828 1.00 0.00 N ATOM 464 CA ASP A 32 -1.225 -3.498 -10.171 1.00 0.00 C ATOM 465 C ASP A 32 -0.867 -4.345 -8.949 1.00 0.00 C ATOM 466 O ASP A 32 -0.553 -5.526 -9.078 1.00 0.00 O ATOM 467 CB ASP A 32 0.026 -2.725 -10.594 1.00 0.00 C ATOM 468 CG ASP A 32 0.829 -3.364 -11.728 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.514 -4.527 -12.061 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.742 -2.675 -12.235 1.00 0.00 O ATOM 0 H ASP A 32 -2.056 -1.606 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.558 -4.124 -10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.271 -1.722 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.676 -2.614 -9.726 1.00 0.00 H new ATOM 475 N LEU A 33 -0.925 -3.707 -7.789 1.00 0.00 N ATOM 476 CA LEU A 33 -0.612 -4.386 -6.544 1.00 0.00 C ATOM 477 C LEU A 33 -1.353 -5.723 -6.496 1.00 0.00 C ATOM 478 O LEU A 33 -0.749 -6.763 -6.235 1.00 0.00 O ATOM 479 CB LEU A 33 -0.905 -3.477 -5.348 1.00 0.00 C ATOM 480 CG LEU A 33 -1.237 -4.185 -4.033 1.00 0.00 C ATOM 481 CD1 LEU A 33 0.025 -4.754 -3.382 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.001 -3.255 -3.089 1.00 0.00 C ATOM 0 H LEU A 33 -1.184 -2.726 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 33 0.453 -4.610 -6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.039 -2.836 -5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.740 -2.826 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.892 -5.028 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.240 -5.252 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.491 -5.472 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.725 -3.944 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.225 -3.782 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.392 -2.378 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.932 -2.941 -3.562 1.00 0.00 H new ATOM 494 N TYR A 34 -2.651 -5.652 -6.752 1.00 0.00 N ATOM 495 CA TYR A 34 -3.482 -6.846 -6.741 1.00 0.00 C ATOM 496 C TYR A 34 -2.884 -7.937 -7.632 1.00 0.00 C ATOM 497 O TYR A 34 -3.171 -9.119 -7.447 1.00 0.00 O ATOM 498 CB TYR A 34 -4.834 -6.420 -7.315 1.00 0.00 C ATOM 499 CG TYR A 34 -6.036 -7.057 -6.611 1.00 0.00 C ATOM 500 CD1 TYR A 34 -6.079 -8.423 -6.418 1.00 0.00 C ATOM 501 CD2 TYR A 34 -7.075 -6.265 -6.169 1.00 0.00 C ATOM 502 CE1 TYR A 34 -7.209 -9.022 -5.757 1.00 0.00 C ATOM 503 CE2 TYR A 34 -8.205 -6.863 -5.507 1.00 0.00 C ATOM 504 CZ TYR A 34 -8.216 -8.211 -5.333 1.00 0.00 C ATOM 505 OH TYR A 34 -9.283 -8.777 -4.708 1.00 0.00 O ATOM 0 H TYR A 34 -3.148 -4.788 -6.968 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.564 -7.250 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.920 -5.335 -7.249 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.866 -6.679 -8.373 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.265 -9.043 -6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.041 -5.196 -6.320 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.256 -10.090 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.025 -6.254 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.924 -8.079 -4.459 1.00 0.00 H new ATOM 515 N ASN A 35 -2.064 -7.503 -8.576 1.00 0.00 N ATOM 516 CA ASN A 35 -1.423 -8.429 -9.495 1.00 0.00 C ATOM 517 C ASN A 35 -0.137 -8.963 -8.860 1.00 0.00 C ATOM 518 O ASN A 35 -0.066 -10.132 -8.484 1.00 0.00 O ATOM 519 CB ASN A 35 -1.050 -7.734 -10.805 1.00 0.00 C ATOM 520 CG ASN A 35 -1.664 -8.460 -12.005 1.00 0.00 C ATOM 521 OD1 ASN A 35 -2.581 -9.254 -11.879 1.00 0.00 O ATOM 522 ND2 ASN A 35 -1.109 -8.142 -13.171 1.00 0.00 N ATOM 0 H ASN A 35 -1.828 -6.522 -8.725 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.124 -9.238 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.397 -6.701 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.035 -7.704 -10.909 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.449 -8.571 -14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.344 -7.469 -13.205 1.00 0.00 H new ATOM 529 N PHE A 36 0.845 -8.081 -8.759 1.00 0.00 N ATOM 530 CA PHE A 36 2.125 -8.448 -8.176 1.00 0.00 C ATOM 531 C PHE A 36 3.210 -7.436 -8.549 1.00 0.00 C ATOM 532 O PHE A 36 4.320 -7.818 -8.916 1.00 0.00 O ATOM 533 CB PHE A 36 2.502 -9.816 -8.750 1.00 0.00 C ATOM 534 CG PHE A 36 2.047 -10.031 -10.195 1.00 0.00 C ATOM 535 CD1 PHE A 36 2.278 -9.071 -11.130 1.00 0.00 C ATOM 536 CD2 PHE A 36 1.411 -11.181 -10.544 1.00 0.00 C ATOM 537 CE1 PHE A 36 1.857 -9.270 -12.471 1.00 0.00 C ATOM 538 CE2 PHE A 36 0.989 -11.381 -11.885 1.00 0.00 C ATOM 539 CZ PHE A 36 1.221 -10.421 -12.821 1.00 0.00 C ATOM 0 H PHE A 36 0.781 -7.112 -9.071 1.00 0.00 H new ATOM 0 HA PHE A 36 2.045 -8.470 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.584 -9.934 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.067 -10.594 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.782 -8.157 -10.852 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.227 -11.943 -9.801 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.041 -8.508 -13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.484 -12.295 -12.162 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.901 -10.572 -13.841 1.00 0.00 H new ATOM 549 N TRP A 37 2.850 -6.165 -8.442 1.00 0.00 N ATOM 550 CA TRP A 37 3.778 -5.096 -8.763 1.00 0.00 C ATOM 551 C TRP A 37 4.533 -4.723 -7.486 1.00 0.00 C ATOM 552 O TRP A 37 5.162 -3.668 -7.416 1.00 0.00 O ATOM 553 CB TRP A 37 3.048 -3.908 -9.395 1.00 0.00 C ATOM 554 CG TRP A 37 3.088 -2.633 -8.549 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.352 -1.384 -8.951 1.00 0.00 C ATOM 556 CD2 TRP A 37 2.841 -2.535 -7.130 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.295 -0.490 -7.900 1.00 0.00 N ATOM 558 CE2 TRP A 37 2.974 -1.213 -6.757 1.00 0.00 C ATOM 559 CE3 TRP A 37 2.517 -3.531 -6.192 1.00 0.00 C ATOM 560 CZ2 TRP A 37 2.800 -0.766 -5.442 1.00 0.00 C ATOM 561 CZ3 TRP A 37 2.346 -3.068 -4.882 1.00 0.00 C ATOM 562 CH2 TRP A 37 2.477 -1.741 -4.491 1.00 0.00 C ATOM 0 H TRP A 37 1.928 -5.853 -8.137 1.00 0.00 H new ATOM 0 HA TRP A 37 4.501 -5.425 -9.510 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.490 -3.700 -10.369 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.008 -4.184 -9.569 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.581 -1.110 -9.970 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.458 0.515 -7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.409 -4.571 -6.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.909 0.275 -5.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.095 -3.793 -4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.330 -1.463 -3.458 1.00 0.00 H new ATOM 573 N LYS A 38 4.447 -5.612 -6.506 1.00 0.00 N ATOM 574 CA LYS A 38 5.113 -5.390 -5.234 1.00 0.00 C ATOM 575 C LYS A 38 6.539 -4.898 -5.490 1.00 0.00 C ATOM 576 O LYS A 38 6.910 -3.806 -5.063 1.00 0.00 O ATOM 577 CB LYS A 38 5.042 -6.648 -4.366 1.00 0.00 C ATOM 578 CG LYS A 38 5.508 -7.880 -5.147 1.00 0.00 C ATOM 579 CD LYS A 38 4.675 -9.109 -4.777 1.00 0.00 C ATOM 580 CE LYS A 38 4.851 -9.467 -3.300 1.00 0.00 C ATOM 581 NZ LYS A 38 3.984 -10.610 -2.936 1.00 0.00 N ATOM 0 H LYS A 38 3.926 -6.487 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 38 4.604 -4.611 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.663 -6.518 -3.480 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.020 -6.798 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.426 -7.689 -6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.560 -8.072 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.623 -8.915 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.972 -9.954 -5.398 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.893 -9.716 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.606 -8.605 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.116 -10.839 -1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.989 -10.359 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.237 -11.436 -3.516 1.00 0.00 H new ATOM 595 N ASP A 39 7.302 -5.729 -6.186 1.00 0.00 N ATOM 596 CA ASP A 39 8.679 -5.392 -6.504 1.00 0.00 C ATOM 597 C ASP A 39 8.738 -3.961 -7.041 1.00 0.00 C ATOM 598 O ASP A 39 9.701 -3.239 -6.786 1.00 0.00 O ATOM 599 CB ASP A 39 9.240 -6.325 -7.579 1.00 0.00 C ATOM 600 CG ASP A 39 8.588 -6.189 -8.956 1.00 0.00 C ATOM 601 OD1 ASP A 39 7.426 -6.632 -9.080 1.00 0.00 O ATOM 602 OD2 ASP A 39 9.266 -5.645 -9.855 1.00 0.00 O ATOM 0 H ASP A 39 6.992 -6.635 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 39 9.270 -5.494 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.309 -6.138 -7.680 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.127 -7.355 -7.240 1.00 0.00 H new ATOM 607 N ASP A 40 7.699 -3.596 -7.775 1.00 0.00 N ATOM 608 CA ASP A 40 7.622 -2.263 -8.350 1.00 0.00 C ATOM 609 C ASP A 40 7.335 -1.249 -7.241 1.00 0.00 C ATOM 610 O ASP A 40 6.189 -0.858 -7.032 1.00 0.00 O ATOM 611 CB ASP A 40 6.491 -2.170 -9.377 1.00 0.00 C ATOM 612 CG ASP A 40 6.592 -0.993 -10.347 1.00 0.00 C ATOM 613 OD1 ASP A 40 7.317 -1.147 -11.354 1.00 0.00 O ATOM 614 OD2 ASP A 40 5.942 0.036 -10.061 1.00 0.00 O ATOM 0 H ASP A 40 6.903 -4.199 -7.985 1.00 0.00 H new ATOM 0 HA ASP A 40 8.573 -2.053 -8.839 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.467 -3.095 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.542 -2.102 -8.845 1.00 0.00 H new ATOM 619 N TYR A 41 8.400 -0.851 -6.558 1.00 0.00 N ATOM 620 CA TYR A 41 8.277 0.110 -5.476 1.00 0.00 C ATOM 621 C TYR A 41 8.190 1.538 -6.017 1.00 0.00 C ATOM 622 O TYR A 41 8.365 1.763 -7.213 1.00 0.00 O ATOM 623 CB TYR A 41 9.554 -0.029 -4.642 1.00 0.00 C ATOM 624 CG TYR A 41 9.739 1.072 -3.597 1.00 0.00 C ATOM 625 CD1 TYR A 41 8.875 1.156 -2.524 1.00 0.00 C ATOM 626 CD2 TYR A 41 10.767 1.982 -3.728 1.00 0.00 C ATOM 627 CE1 TYR A 41 9.049 2.194 -1.540 1.00 0.00 C ATOM 628 CE2 TYR A 41 10.940 3.020 -2.745 1.00 0.00 C ATOM 629 CZ TYR A 41 10.074 3.074 -1.699 1.00 0.00 C ATOM 630 OH TYR A 41 10.237 4.054 -0.770 1.00 0.00 O ATOM 0 H TYR A 41 9.350 -1.177 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 41 7.374 -0.080 -4.895 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.543 -0.995 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.414 -0.028 -5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.069 0.444 -2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.442 1.916 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.381 2.272 -0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 41 11.740 3.740 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 41 11.009 4.608 -1.011 1.00 0.00 H new ATOM 640 N VAL A 42 7.918 2.465 -5.111 1.00 0.00 N ATOM 641 CA VAL A 42 7.805 3.864 -5.482 1.00 0.00 C ATOM 642 C VAL A 42 8.866 4.196 -6.534 1.00 0.00 C ATOM 643 O VAL A 42 8.658 5.068 -7.376 1.00 0.00 O ATOM 644 CB VAL A 42 7.903 4.746 -4.236 1.00 0.00 C ATOM 645 CG1 VAL A 42 8.380 6.155 -4.597 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.567 4.795 -3.491 1.00 0.00 C ATOM 0 H VAL A 42 7.772 2.274 -4.120 1.00 0.00 H new ATOM 0 HA VAL A 42 6.831 4.063 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 42 8.642 4.302 -3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.441 6.761 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.364 6.098 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.675 6.611 -5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.665 5.429 -2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.799 5.203 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.284 3.788 -3.184 1.00 0.00 H new ATOM 656 N MET A 43 9.978 3.482 -6.452 1.00 0.00 N ATOM 657 CA MET A 43 11.072 3.689 -7.385 1.00 0.00 C ATOM 658 C MET A 43 10.550 3.846 -8.815 1.00 0.00 C ATOM 659 O MET A 43 11.215 4.440 -9.662 1.00 0.00 O ATOM 660 CB MET A 43 12.032 2.499 -7.320 1.00 0.00 C ATOM 661 CG MET A 43 11.357 1.222 -7.825 1.00 0.00 C ATOM 662 SD MET A 43 12.273 0.550 -9.201 1.00 0.00 S ATOM 663 CE MET A 43 11.410 -0.997 -9.422 1.00 0.00 C ATOM 0 H MET A 43 10.145 2.758 -5.753 1.00 0.00 H new ATOM 0 HA MET A 43 11.595 4.604 -7.106 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.918 2.708 -7.920 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.369 2.355 -6.294 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.302 0.488 -7.021 1.00 0.00 H new ATOM 0 HG3 MET A 43 10.333 1.438 -8.130 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.106 -1.754 -9.784 1.00 0.00 H new ATOM 0 HE2 MET A 43 10.988 -1.318 -8.469 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.608 -0.866 -10.148 1.00 0.00 H new ATOM 673 N THR A 44 9.363 3.304 -9.040 1.00 0.00 N ATOM 674 CA THR A 44 8.742 3.376 -10.352 1.00 0.00 C ATOM 675 C THR A 44 7.495 4.261 -10.304 1.00 0.00 C ATOM 676 O THR A 44 7.374 5.212 -11.077 1.00 0.00 O ATOM 677 CB THR A 44 8.455 1.947 -10.819 1.00 0.00 C ATOM 678 OG1 THR A 44 9.669 1.539 -11.448 1.00 0.00 O ATOM 679 CG2 THR A 44 7.419 1.895 -11.943 1.00 0.00 C ATOM 0 H THR A 44 8.814 2.812 -8.335 1.00 0.00 H new ATOM 0 HA THR A 44 9.407 3.844 -11.079 1.00 0.00 H new ATOM 0 HB THR A 44 8.105 1.352 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.324 1.288 -10.763 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.253 0.859 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.482 2.328 -11.594 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.784 2.461 -12.800 1.00 0.00 H new ATOM 687 N ASP A 45 6.598 3.917 -9.392 1.00 0.00 N ATOM 688 CA ASP A 45 5.364 4.667 -9.234 1.00 0.00 C ATOM 689 C ASP A 45 5.154 4.990 -7.753 1.00 0.00 C ATOM 690 O ASP A 45 4.778 4.117 -6.972 1.00 0.00 O ATOM 691 CB ASP A 45 4.161 3.856 -9.717 1.00 0.00 C ATOM 692 CG ASP A 45 3.051 4.677 -10.378 1.00 0.00 C ATOM 693 OD1 ASP A 45 3.207 4.977 -11.581 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.071 4.985 -9.665 1.00 0.00 O ATOM 0 H ASP A 45 6.702 3.128 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 45 5.445 5.578 -9.826 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.509 3.106 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.739 3.319 -8.867 1.00 0.00 H new ATOM 699 N ARG A 46 5.408 6.244 -7.412 1.00 0.00 N ATOM 700 CA ARG A 46 5.251 6.693 -6.039 1.00 0.00 C ATOM 701 C ARG A 46 3.774 6.668 -5.638 1.00 0.00 C ATOM 702 O ARG A 46 3.434 6.231 -4.539 1.00 0.00 O ATOM 703 CB ARG A 46 5.798 8.109 -5.855 1.00 0.00 C ATOM 704 CG ARG A 46 5.742 8.533 -4.387 1.00 0.00 C ATOM 705 CD ARG A 46 4.993 9.857 -4.226 1.00 0.00 C ATOM 706 NE ARG A 46 5.857 10.982 -4.648 1.00 0.00 N ATOM 707 CZ ARG A 46 5.707 12.244 -4.223 1.00 0.00 C ATOM 708 NH1 ARG A 46 4.728 12.551 -3.363 1.00 0.00 N ATOM 709 NH2 ARG A 46 6.539 13.201 -4.660 1.00 0.00 N ATOM 0 H ARG A 46 5.722 6.964 -8.063 1.00 0.00 H new ATOM 0 HA ARG A 46 5.816 6.013 -5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.827 8.154 -6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.220 8.807 -6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.249 7.758 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.754 8.634 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.082 9.844 -4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.691 9.989 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 46 6.614 10.785 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.095 11.824 -3.030 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.615 13.512 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.285 12.968 -5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.426 14.162 -4.337 1.00 0.00 H new ATOM 723 N LEU A 47 2.938 7.140 -6.549 1.00 0.00 N ATOM 724 CA LEU A 47 1.507 7.178 -6.304 1.00 0.00 C ATOM 725 C LEU A 47 1.053 5.827 -5.745 1.00 0.00 C ATOM 726 O LEU A 47 0.259 5.774 -4.807 1.00 0.00 O ATOM 727 CB LEU A 47 0.757 7.602 -7.569 1.00 0.00 C ATOM 728 CG LEU A 47 1.396 8.732 -8.380 1.00 0.00 C ATOM 729 CD1 LEU A 47 2.098 9.735 -7.463 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.338 8.174 -9.447 1.00 0.00 C ATOM 0 H LEU A 47 3.224 7.500 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 47 1.270 7.931 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.654 6.731 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.250 7.909 -7.285 1.00 0.00 H new ATOM 0 HG LEU A 47 0.604 9.271 -8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.544 10.528 -8.064 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.373 10.167 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.879 9.226 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.779 8.997 -10.009 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.129 7.597 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.779 7.530 -10.125 1.00 0.00 H new ATOM 742 N ALA A 48 1.578 4.768 -6.344 1.00 0.00 N ATOM 743 CA ALA A 48 1.239 3.422 -5.919 1.00 0.00 C ATOM 744 C ALA A 48 1.583 3.258 -4.437 1.00 0.00 C ATOM 745 O ALA A 48 0.902 2.532 -3.714 1.00 0.00 O ATOM 746 CB ALA A 48 1.966 2.408 -6.803 1.00 0.00 C ATOM 0 H ALA A 48 2.237 4.816 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 48 0.170 3.242 -6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.711 1.398 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.664 2.547 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.042 2.555 -6.716 1.00 0.00 H new ATOM 752 N GLY A 49 2.641 3.944 -4.029 1.00 0.00 N ATOM 753 CA GLY A 49 3.085 3.884 -2.646 1.00 0.00 C ATOM 754 C GLY A 49 2.220 4.777 -1.754 1.00 0.00 C ATOM 755 O GLY A 49 2.012 4.472 -0.581 1.00 0.00 O ATOM 0 H GLY A 49 3.204 4.544 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.040 2.855 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.127 4.198 -2.581 1.00 0.00 H new ATOM 759 N CYS A 50 1.739 5.861 -2.344 1.00 0.00 N ATOM 760 CA CYS A 50 0.902 6.800 -1.617 1.00 0.00 C ATOM 761 C CYS A 50 -0.519 6.236 -1.564 1.00 0.00 C ATOM 762 O CYS A 50 -1.158 6.252 -0.513 1.00 0.00 O ATOM 763 CB CYS A 50 0.940 8.195 -2.245 1.00 0.00 C ATOM 764 SG CYS A 50 1.963 9.415 -1.346 1.00 0.00 S ATOM 0 H CYS A 50 1.913 6.110 -3.318 1.00 0.00 H new ATOM 0 HA CYS A 50 1.282 6.920 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.315 8.109 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.079 8.576 -2.312 1.00 0.00 H new ATOM 769 N ALA A 51 -0.972 5.750 -2.710 1.00 0.00 N ATOM 770 CA ALA A 51 -2.305 5.181 -2.807 1.00 0.00 C ATOM 771 C ALA A 51 -2.448 4.051 -1.785 1.00 0.00 C ATOM 772 O ALA A 51 -3.415 4.017 -1.025 1.00 0.00 O ATOM 773 CB ALA A 51 -2.555 4.707 -4.241 1.00 0.00 C ATOM 0 H ALA A 51 -0.439 5.739 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.061 5.932 -2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.555 4.280 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.471 5.553 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.817 3.950 -4.508 1.00 0.00 H new ATOM 779 N ILE A 52 -1.473 3.155 -1.801 1.00 0.00 N ATOM 780 CA ILE A 52 -1.478 2.027 -0.886 1.00 0.00 C ATOM 781 C ILE A 52 -1.480 2.544 0.554 1.00 0.00 C ATOM 782 O ILE A 52 -2.182 2.007 1.410 1.00 0.00 O ATOM 783 CB ILE A 52 -0.320 1.078 -1.198 1.00 0.00 C ATOM 784 CG1 ILE A 52 -0.760 -0.383 -1.074 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.894 1.387 -0.321 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.491 -0.626 0.248 1.00 0.00 C ATOM 0 H ILE A 52 -0.674 3.187 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.385 1.437 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.018 1.237 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.413 -0.642 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.111 -1.035 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.703 0.698 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.223 2.410 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.623 1.274 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.793 -1.672 0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.827 -0.390 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.375 0.010 0.297 1.00 0.00 H new ATOM 798 N ASN A 53 -0.684 3.580 0.777 1.00 0.00 N ATOM 799 CA ASN A 53 -0.584 4.176 2.098 1.00 0.00 C ATOM 800 C ASN A 53 -1.949 4.729 2.509 1.00 0.00 C ATOM 801 O ASN A 53 -2.364 4.582 3.658 1.00 0.00 O ATOM 802 CB ASN A 53 0.417 5.332 2.106 1.00 0.00 C ATOM 803 CG ASN A 53 1.585 5.042 3.052 1.00 0.00 C ATOM 804 OD1 ASN A 53 2.183 3.978 3.032 1.00 0.00 O ATOM 805 ND2 ASN A 53 1.873 6.042 3.879 1.00 0.00 N ATOM 0 H ASN A 53 -0.102 4.022 0.065 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.249 3.404 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.795 5.497 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.085 6.250 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.635 5.945 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.332 6.906 3.842 1.00 0.00 H new ATOM 812 N CYS A 54 -2.612 5.355 1.547 1.00 0.00 N ATOM 813 CA CYS A 54 -3.923 5.930 1.794 1.00 0.00 C ATOM 814 C CYS A 54 -4.916 4.789 2.013 1.00 0.00 C ATOM 815 O CYS A 54 -5.913 4.954 2.715 1.00 0.00 O ATOM 816 CB CYS A 54 -4.358 6.854 0.654 1.00 0.00 C ATOM 817 SG CYS A 54 -5.712 6.201 -0.388 1.00 0.00 S ATOM 0 H CYS A 54 -2.265 5.476 0.595 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.887 6.554 2.687 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.672 7.808 1.078 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.495 7.056 0.019 1.00 0.00 H new ATOM 822 N LEU A 55 -4.609 3.655 1.401 1.00 0.00 N ATOM 823 CA LEU A 55 -5.464 2.485 1.522 1.00 0.00 C ATOM 824 C LEU A 55 -5.945 2.357 2.969 1.00 0.00 C ATOM 825 O LEU A 55 -7.027 1.828 3.222 1.00 0.00 O ATOM 826 CB LEU A 55 -4.742 1.239 1.002 1.00 0.00 C ATOM 827 CG LEU A 55 -5.631 0.035 0.681 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.510 -0.333 1.880 1.00 0.00 C ATOM 829 CD2 LEU A 55 -6.457 0.284 -0.582 1.00 0.00 C ATOM 0 H LEU A 55 -3.781 3.521 0.820 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.352 2.596 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.193 1.511 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.005 0.934 1.745 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.987 -0.821 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.132 -1.191 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.877 -0.583 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.147 0.513 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.080 -0.587 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.092 1.158 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.789 0.459 -1.425 1.00 0.00 H new ATOM 841 N ALA A 56 -5.119 2.850 3.879 1.00 0.00 N ATOM 842 CA ALA A 56 -5.448 2.797 5.294 1.00 0.00 C ATOM 843 C ALA A 56 -6.707 3.627 5.552 1.00 0.00 C ATOM 844 O ALA A 56 -7.286 3.560 6.635 1.00 0.00 O ATOM 845 CB ALA A 56 -4.251 3.284 6.114 1.00 0.00 C ATOM 0 H ALA A 56 -4.223 3.288 3.665 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.660 1.773 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.497 3.245 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.391 2.645 5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.012 4.310 5.835 1.00 0.00 H new ATOM 851 N THR A 57 -7.093 4.388 4.538 1.00 0.00 N ATOM 852 CA THR A 57 -8.274 5.229 4.643 1.00 0.00 C ATOM 853 C THR A 57 -9.088 4.855 5.882 1.00 0.00 C ATOM 854 O THR A 57 -9.227 5.658 6.803 1.00 0.00 O ATOM 855 CB THR A 57 -9.062 5.101 3.336 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.165 3.694 3.130 1.00 0.00 O ATOM 857 CG2 THR A 57 -8.272 5.598 2.124 1.00 0.00 C ATOM 0 H THR A 57 -6.610 4.440 3.641 1.00 0.00 H new ATOM 0 HA THR A 57 -8.003 6.276 4.776 1.00 0.00 H new ATOM 0 HB THR A 57 -9.993 5.663 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.793 3.515 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.877 5.485 1.224 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.019 6.649 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.357 5.015 2.022 1.00 0.00 H new ATOM 865 N LYS A 58 -9.605 3.634 5.865 1.00 0.00 N ATOM 866 CA LYS A 58 -10.401 3.145 6.978 1.00 0.00 C ATOM 867 C LYS A 58 -9.706 1.933 7.602 1.00 0.00 C ATOM 868 O LYS A 58 -9.882 0.807 7.139 1.00 0.00 O ATOM 869 CB LYS A 58 -11.837 2.866 6.526 1.00 0.00 C ATOM 870 CG LYS A 58 -12.742 2.573 7.725 1.00 0.00 C ATOM 871 CD LYS A 58 -13.755 3.699 7.935 1.00 0.00 C ATOM 872 CE LYS A 58 -15.003 3.187 8.657 1.00 0.00 C ATOM 873 NZ LYS A 58 -15.548 4.233 9.553 1.00 0.00 N ATOM 0 H LYS A 58 -9.488 2.970 5.099 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.477 3.905 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.222 3.725 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.848 2.018 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.267 1.631 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.135 2.453 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.298 4.500 8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.037 4.124 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.758 2.895 7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.757 2.296 9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.395 3.870 10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.831 4.493 10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.802 5.072 8.993 1.00 0.00 H new ATOM 887 N LEU A 59 -8.934 2.206 8.643 1.00 0.00 N ATOM 888 CA LEU A 59 -8.212 1.152 9.336 1.00 0.00 C ATOM 889 C LEU A 59 -9.198 0.066 9.773 1.00 0.00 C ATOM 890 O LEU A 59 -8.794 -1.041 10.121 1.00 0.00 O ATOM 891 CB LEU A 59 -7.388 1.734 10.485 1.00 0.00 C ATOM 892 CG LEU A 59 -5.869 1.718 10.297 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.485 2.231 8.909 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.171 2.499 11.412 1.00 0.00 C ATOM 0 H LEU A 59 -8.792 3.142 9.024 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.493 0.679 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.703 2.765 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.628 1.182 11.394 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.526 0.686 10.365 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.401 2.210 8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.938 1.596 8.148 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.842 3.254 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.093 2.472 11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.514 3.534 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.409 2.048 12.376 1.00 0.00 H new ATOM 906 N ASP A 60 -10.474 0.424 9.743 1.00 0.00 N ATOM 907 CA ASP A 60 -11.521 -0.505 10.133 1.00 0.00 C ATOM 908 C ASP A 60 -11.654 -1.594 9.065 1.00 0.00 C ATOM 909 O ASP A 60 -12.111 -2.699 9.354 1.00 0.00 O ATOM 910 CB ASP A 60 -12.872 0.205 10.252 1.00 0.00 C ATOM 911 CG ASP A 60 -13.869 -0.459 11.204 1.00 0.00 C ATOM 912 OD1 ASP A 60 -13.408 -1.285 12.022 1.00 0.00 O ATOM 913 OD2 ASP A 60 -15.068 -0.124 11.092 1.00 0.00 O ATOM 0 H ASP A 60 -10.806 1.344 9.455 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.250 -0.931 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.700 1.228 10.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.323 0.265 9.261 1.00 0.00 H new ATOM 918 N VAL A 61 -11.244 -1.244 7.855 1.00 0.00 N ATOM 919 CA VAL A 61 -11.310 -2.179 6.743 1.00 0.00 C ATOM 920 C VAL A 61 -10.121 -3.139 6.818 1.00 0.00 C ATOM 921 O VAL A 61 -10.254 -4.323 6.511 1.00 0.00 O ATOM 922 CB VAL A 61 -11.380 -1.414 5.420 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.551 -0.430 5.417 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.059 -0.695 5.132 1.00 0.00 C ATOM 0 H VAL A 61 -10.865 -0.327 7.619 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.217 -2.781 6.803 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.549 -2.138 4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.578 0.101 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.485 -0.975 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.426 0.287 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.135 -0.159 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.847 0.012 5.934 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.253 -1.426 5.071 1.00 0.00 H new ATOM 934 N VAL A 62 -8.985 -2.592 7.227 1.00 0.00 N ATOM 935 CA VAL A 62 -7.772 -3.386 7.345 1.00 0.00 C ATOM 936 C VAL A 62 -7.757 -4.084 8.706 1.00 0.00 C ATOM 937 O VAL A 62 -7.463 -5.276 8.792 1.00 0.00 O ATOM 938 CB VAL A 62 -6.546 -2.502 7.112 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.126 -2.525 5.640 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.803 -1.070 7.587 1.00 0.00 C ATOM 0 H VAL A 62 -8.879 -1.610 7.481 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.746 -4.163 6.581 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.724 -2.907 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.252 -1.889 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.881 -3.546 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.945 -2.157 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.915 -0.463 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.645 -0.650 7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.032 -1.076 8.653 1.00 0.00 H new ATOM 950 N ASP A 63 -8.077 -3.314 9.735 1.00 0.00 N ATOM 951 CA ASP A 63 -8.102 -3.844 11.087 1.00 0.00 C ATOM 952 C ASP A 63 -9.490 -3.620 11.692 1.00 0.00 C ATOM 953 O ASP A 63 -9.824 -2.506 12.091 1.00 0.00 O ATOM 954 CB ASP A 63 -7.079 -3.135 11.977 1.00 0.00 C ATOM 955 CG ASP A 63 -7.316 -1.636 12.167 1.00 0.00 C ATOM 956 OD1 ASP A 63 -8.051 -1.295 13.119 1.00 0.00 O ATOM 957 OD2 ASP A 63 -6.757 -0.865 11.358 1.00 0.00 O ATOM 0 H ASP A 63 -8.321 -2.327 9.659 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.861 -4.906 11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.078 -3.614 12.956 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.087 -3.279 11.550 1.00 0.00 H new ATOM 962 N PRO A 64 -10.280 -4.725 11.742 1.00 0.00 N ATOM 963 CA PRO A 64 -11.624 -4.660 12.292 1.00 0.00 C ATOM 964 C PRO A 64 -11.588 -4.574 13.818 1.00 0.00 C ATOM 965 O PRO A 64 -12.335 -3.801 14.418 1.00 0.00 O ATOM 966 CB PRO A 64 -12.318 -5.914 11.783 1.00 0.00 C ATOM 967 CG PRO A 64 -11.208 -6.861 11.358 1.00 0.00 C ATOM 968 CD PRO A 64 -9.918 -6.062 11.279 1.00 0.00 C ATOM 0 HA PRO A 64 -12.164 -3.767 11.979 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.936 -6.361 12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -12.977 -5.683 10.946 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.108 -7.677 12.073 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.439 -7.310 10.392 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.141 -6.501 11.905 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.530 -6.037 10.261 1.00 0.00 H new ATOM 976 N ASP A 65 -10.714 -5.378 14.404 1.00 0.00 N ATOM 977 CA ASP A 65 -10.570 -5.403 15.851 1.00 0.00 C ATOM 978 C ASP A 65 -9.202 -4.836 16.233 1.00 0.00 C ATOM 979 O ASP A 65 -8.844 -4.809 17.410 1.00 0.00 O ATOM 980 CB ASP A 65 -10.657 -6.833 16.388 1.00 0.00 C ATOM 981 CG ASP A 65 -11.853 -7.107 17.302 1.00 0.00 C ATOM 982 OD1 ASP A 65 -11.914 -6.457 18.369 1.00 0.00 O ATOM 983 OD2 ASP A 65 -12.680 -7.961 16.915 1.00 0.00 O ATOM 0 H ASP A 65 -10.097 -6.018 13.903 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.375 -4.807 16.281 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.699 -7.521 15.543 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.741 -7.056 16.936 1.00 0.00 H new ATOM 988 N GLY A 66 -8.472 -4.398 15.216 1.00 0.00 N ATOM 989 CA GLY A 66 -7.152 -3.834 15.432 1.00 0.00 C ATOM 990 C GLY A 66 -6.060 -4.832 15.045 1.00 0.00 C ATOM 991 O GLY A 66 -5.043 -4.942 15.728 1.00 0.00 O ATOM 0 H GLY A 66 -8.771 -4.423 14.241 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.041 -2.923 14.845 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.039 -3.554 16.479 1.00 0.00 H new ATOM 995 N ASN A 67 -6.307 -5.537 13.951 1.00 0.00 N ATOM 996 CA ASN A 67 -5.357 -6.523 13.464 1.00 0.00 C ATOM 997 C ASN A 67 -3.977 -5.874 13.333 1.00 0.00 C ATOM 998 O ASN A 67 -2.968 -6.477 13.695 1.00 0.00 O ATOM 999 CB ASN A 67 -5.765 -7.049 12.087 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.537 -7.437 11.261 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -4.389 -7.066 10.108 1.00 0.00 O ATOM 1002 ND2 ASN A 67 -3.667 -8.202 11.913 1.00 0.00 N ATOM 0 H ASN A 67 -7.152 -5.445 13.387 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.336 -7.350 14.174 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.417 -7.914 12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.337 -6.287 11.558 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.814 -8.514 11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.852 -8.477 12.878 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.978 -4.657 12.813 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.739 -3.920 12.629 1.00 0.00 C ATOM 1011 C LEU A 68 -3.060 -2.448 12.358 1.00 0.00 C ATOM 1012 O LEU A 68 -4.223 -2.047 12.388 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.884 -4.572 11.543 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.118 -4.074 10.115 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.461 -3.350 10.000 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -0.955 -3.201 9.641 1.00 0.00 C ATOM 0 H LEU A 68 -4.817 -4.161 12.513 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.138 -3.953 13.538 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.834 -4.417 11.793 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.062 -5.647 11.565 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.161 -4.940 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.602 -3.006 8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.267 -4.033 10.268 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.472 -2.494 10.675 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.147 -2.860 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.856 -2.338 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.033 -3.781 9.662 1.00 0.00 H new ATOM 1028 N HIS A 69 -2.009 -1.684 12.100 1.00 0.00 N ATOM 1029 CA HIS A 69 -2.165 -0.266 11.824 1.00 0.00 C ATOM 1030 C HIS A 69 -1.114 0.177 10.805 1.00 0.00 C ATOM 1031 O HIS A 69 0.083 0.129 11.082 1.00 0.00 O ATOM 1032 CB HIS A 69 -2.115 0.548 13.119 1.00 0.00 C ATOM 1033 CG HIS A 69 -3.365 0.439 13.961 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -4.609 0.163 13.423 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -3.546 0.570 15.306 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -5.494 0.133 14.410 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -4.832 0.386 15.576 1.00 0.00 N ATOM 0 H HIS A 69 -1.046 -2.020 12.076 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.146 -0.083 11.385 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.261 0.219 13.711 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.946 1.596 12.871 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.811 0.009 12.435 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.774 0.787 16.029 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.552 -0.058 14.309 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.600 0.597 9.646 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.715 1.048 8.584 1.00 0.00 C ATOM 1048 C HIS A 70 0.401 1.909 9.176 1.00 0.00 C ATOM 1049 O HIS A 70 0.166 2.690 10.096 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.507 1.771 7.491 1.00 0.00 C ATOM 1051 CG HIS A 70 -0.996 1.515 6.094 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.528 0.541 5.267 1.00 0.00 N ATOM 1053 CD2 HIS A 70 0.003 2.118 5.385 1.00 0.00 C ATOM 1054 CE1 HIS A 70 -0.872 0.563 4.116 1.00 0.00 C ATOM 1055 NE2 HIS A 70 0.076 1.542 4.192 1.00 0.00 N ATOM 0 H HIS A 70 -2.594 0.635 9.419 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.246 0.188 8.105 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.551 1.462 7.548 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.481 2.843 7.686 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -2.296 -0.088 5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.628 2.926 5.736 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.055 -0.080 3.268 1.00 0.00 H new ATOM 1064 N GLY A 71 1.593 1.735 8.625 1.00 0.00 N ATOM 1065 CA GLY A 71 2.747 2.487 9.086 1.00 0.00 C ATOM 1066 C GLY A 71 3.342 1.859 10.348 1.00 0.00 C ATOM 1067 O GLY A 71 4.557 1.703 10.455 1.00 0.00 O ATOM 0 H GLY A 71 1.784 1.084 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.502 2.519 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.456 3.517 9.291 1.00 0.00 H new ATOM 1071 N ASN A 72 2.456 1.516 11.273 1.00 0.00 N ATOM 1072 CA ASN A 72 2.879 0.908 12.523 1.00 0.00 C ATOM 1073 C ASN A 72 2.061 -0.362 12.769 1.00 0.00 C ATOM 1074 O ASN A 72 1.089 -0.343 13.523 1.00 0.00 O ATOM 1075 CB ASN A 72 2.646 1.855 13.702 1.00 0.00 C ATOM 1076 CG ASN A 72 3.362 1.355 14.957 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.203 0.471 14.913 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.986 1.966 16.076 1.00 0.00 N ATOM 0 H ASN A 72 1.449 1.648 11.181 1.00 0.00 H new ATOM 0 HA ASN A 72 3.943 0.682 12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.004 2.853 13.448 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.577 1.941 13.899 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.407 1.703 16.967 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.277 2.698 16.044 1.00 0.00 H new ATOM 1085 N ALA A 73 2.484 -1.436 12.119 1.00 0.00 N ATOM 1086 CA ALA A 73 1.804 -2.712 12.257 1.00 0.00 C ATOM 1087 C ALA A 73 1.954 -3.210 13.697 1.00 0.00 C ATOM 1088 O ALA A 73 3.058 -3.237 14.237 1.00 0.00 O ATOM 1089 CB ALA A 73 2.364 -3.702 11.235 1.00 0.00 C ATOM 0 H ALA A 73 3.290 -1.448 11.495 1.00 0.00 H new ATOM 0 HA ALA A 73 0.738 -2.604 12.055 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.854 -4.660 11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.207 -3.314 10.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.431 -3.839 11.408 1.00 0.00 H new ATOM 1095 N LYS A 74 0.825 -3.595 14.275 1.00 0.00 N ATOM 1096 CA LYS A 74 0.816 -4.091 15.641 1.00 0.00 C ATOM 1097 C LYS A 74 1.681 -5.352 15.727 1.00 0.00 C ATOM 1098 O LYS A 74 2.129 -5.871 14.706 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.619 -4.296 16.127 1.00 0.00 C ATOM 1100 CG LYS A 74 -1.107 -3.084 16.923 1.00 0.00 C ATOM 1101 CD LYS A 74 -0.987 -3.331 18.428 1.00 0.00 C ATOM 1102 CE LYS A 74 -0.826 -2.014 19.189 1.00 0.00 C ATOM 1103 NZ LYS A 74 0.079 -2.191 20.348 1.00 0.00 N ATOM 0 H LYS A 74 -0.089 -3.573 13.823 1.00 0.00 H new ATOM 0 HA LYS A 74 1.255 -3.356 16.316 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.276 -4.463 15.273 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.672 -5.189 16.749 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.524 -2.205 16.648 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.145 -2.871 16.668 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.873 -3.856 18.786 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.132 -3.977 18.627 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.428 -1.249 18.523 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.800 -1.663 19.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.177 -1.287 20.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.317 -2.906 20.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.013 -2.504 20.015 1.00 0.00 H new ATOM 1117 N ASP A 75 1.888 -5.806 16.954 1.00 0.00 N ATOM 1118 CA ASP A 75 2.689 -6.995 17.185 1.00 0.00 C ATOM 1119 C ASP A 75 1.927 -8.224 16.689 1.00 0.00 C ATOM 1120 O ASP A 75 2.418 -9.348 16.791 1.00 0.00 O ATOM 1121 CB ASP A 75 2.973 -7.185 18.676 1.00 0.00 C ATOM 1122 CG ASP A 75 4.336 -6.672 19.146 1.00 0.00 C ATOM 1123 OD1 ASP A 75 5.043 -6.083 18.300 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.640 -6.881 20.341 1.00 0.00 O ATOM 0 H ASP A 75 1.515 -5.372 17.798 1.00 0.00 H new ATOM 0 HA ASP A 75 3.631 -6.876 16.650 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.195 -6.678 19.246 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.900 -8.247 18.912 1.00 0.00 H new ATOM 1129 N PHE A 76 0.740 -7.970 16.159 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.096 -9.043 15.645 1.00 0.00 C ATOM 1131 C PHE A 76 0.189 -9.298 14.164 1.00 0.00 C ATOM 1132 O PHE A 76 0.324 -10.446 13.742 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.549 -8.592 15.803 1.00 0.00 C ATOM 1134 CG PHE A 76 -2.100 -8.752 17.221 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -2.592 -9.952 17.628 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -2.097 -7.693 18.075 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -3.104 -10.101 18.945 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -2.609 -7.841 19.391 1.00 0.00 C ATOM 1139 CZ PHE A 76 -3.101 -9.042 19.798 1.00 0.00 C ATOM 0 H PHE A 76 0.337 -7.037 16.074 1.00 0.00 H new ATOM 0 HA PHE A 76 0.105 -9.965 16.190 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.628 -7.545 15.510 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.173 -9.163 15.115 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.594 -10.793 16.950 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.705 -6.740 17.752 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.495 -11.054 19.268 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.608 -7.000 20.069 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.490 -9.155 20.799 1.00 0.00 H new ATOM 1149 N ALA A 77 0.272 -8.209 13.414 1.00 0.00 N ATOM 1150 CA ALA A 77 0.538 -8.301 11.988 1.00 0.00 C ATOM 1151 C ALA A 77 1.905 -8.952 11.770 1.00 0.00 C ATOM 1152 O ALA A 77 2.005 -9.990 11.118 1.00 0.00 O ATOM 1153 CB ALA A 77 0.450 -6.906 11.362 1.00 0.00 C ATOM 0 H ALA A 77 0.160 -7.258 13.767 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.207 -8.927 11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.649 -6.974 10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.549 -6.499 11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.187 -6.251 11.828 1.00 0.00 H new ATOM 1159 N MET A 78 2.924 -8.315 12.328 1.00 0.00 N ATOM 1160 CA MET A 78 4.281 -8.822 12.203 1.00 0.00 C ATOM 1161 C MET A 78 4.531 -9.970 13.181 1.00 0.00 C ATOM 1162 O MET A 78 5.603 -10.062 13.776 1.00 0.00 O ATOM 1163 CB MET A 78 5.275 -7.691 12.478 1.00 0.00 C ATOM 1164 CG MET A 78 5.031 -7.070 13.855 1.00 0.00 C ATOM 1165 SD MET A 78 6.232 -7.684 15.024 1.00 0.00 S ATOM 1166 CE MET A 78 5.158 -8.576 16.135 1.00 0.00 C ATOM 0 H MET A 78 2.838 -7.453 12.867 1.00 0.00 H new ATOM 0 HA MET A 78 4.416 -9.199 11.189 1.00 0.00 H new ATOM 0 HB2 MET A 78 6.293 -8.076 12.424 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.182 -6.925 11.708 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.097 -5.984 13.790 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.024 -7.308 14.197 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.063 -8.025 17.070 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.174 -8.688 15.679 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.579 -9.561 16.336 1.00 0.00 H new ATOM 1176 N LYS A 79 3.523 -10.820 13.317 1.00 0.00 N ATOM 1177 CA LYS A 79 3.619 -11.959 14.213 1.00 0.00 C ATOM 1178 C LYS A 79 2.673 -13.062 13.732 1.00 0.00 C ATOM 1179 O LYS A 79 3.102 -14.189 13.488 1.00 0.00 O ATOM 1180 CB LYS A 79 3.373 -11.527 15.660 1.00 0.00 C ATOM 1181 CG LYS A 79 3.816 -12.615 16.641 1.00 0.00 C ATOM 1182 CD LYS A 79 2.796 -12.782 17.769 1.00 0.00 C ATOM 1183 CE LYS A 79 3.283 -13.802 18.800 1.00 0.00 C ATOM 1184 NZ LYS A 79 2.425 -15.007 18.783 1.00 0.00 N ATOM 0 H LYS A 79 2.635 -10.742 12.821 1.00 0.00 H new ATOM 0 HA LYS A 79 4.628 -12.372 14.196 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.916 -10.605 15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.314 -11.312 15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.937 -13.560 16.112 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.789 -12.358 17.060 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.625 -11.821 18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.840 -13.105 17.356 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.315 -14.080 18.586 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.273 -13.356 19.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.770 -15.689 19.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.446 -14.739 19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.455 -15.441 17.839 1.00 0.00 H new ATOM 1198 N HIS A 80 1.406 -12.698 13.610 1.00 0.00 N ATOM 1199 CA HIS A 80 0.395 -13.642 13.163 1.00 0.00 C ATOM 1200 C HIS A 80 0.663 -14.029 11.706 1.00 0.00 C ATOM 1201 O HIS A 80 0.001 -14.911 11.163 1.00 0.00 O ATOM 1202 CB HIS A 80 -1.010 -13.078 13.378 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.532 -12.271 12.214 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.754 -11.351 11.531 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.760 -12.254 11.620 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.492 -10.810 10.572 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.734 -11.370 10.628 1.00 0.00 N ATOM 0 H HIS A 80 1.055 -11.762 13.813 1.00 0.00 H new ATOM 0 HA HIS A 80 0.452 -14.551 13.761 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.696 -13.903 13.572 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.006 -12.451 14.269 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.221 -11.128 11.732 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.609 -12.857 11.907 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.167 -10.057 9.869 1.00 0.00 H new ATOM 1216 N GLY A 81 1.636 -13.349 11.117 1.00 0.00 N ATOM 1217 CA GLY A 81 1.999 -13.610 9.734 1.00 0.00 C ATOM 1218 C GLY A 81 3.428 -13.143 9.445 1.00 0.00 C ATOM 1219 O GLY A 81 3.713 -12.644 8.358 1.00 0.00 O ATOM 0 H GLY A 81 2.184 -12.618 11.572 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.912 -14.677 9.526 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.304 -13.098 9.069 1.00 0.00 H new ATOM 1223 N ALA A 82 4.287 -13.323 10.438 1.00 0.00 N ATOM 1224 CA ALA A 82 5.677 -12.927 10.304 1.00 0.00 C ATOM 1225 C ALA A 82 6.579 -14.087 10.731 1.00 0.00 C ATOM 1226 O ALA A 82 6.375 -14.676 11.793 1.00 0.00 O ATOM 1227 CB ALA A 82 5.929 -11.661 11.125 1.00 0.00 C ATOM 0 H ALA A 82 4.046 -13.738 11.338 1.00 0.00 H new ATOM 0 HA ALA A 82 5.910 -12.694 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.973 -11.364 11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.287 -10.858 10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.707 -11.857 12.174 1.00 0.00 H new ATOM 1233 N ASP A 83 7.552 -14.383 9.884 1.00 0.00 N ATOM 1234 CA ASP A 83 8.483 -15.462 10.162 1.00 0.00 C ATOM 1235 C ASP A 83 9.426 -15.041 11.290 1.00 0.00 C ATOM 1236 O ASP A 83 9.846 -13.886 11.355 1.00 0.00 O ATOM 1237 CB ASP A 83 9.335 -15.786 8.932 1.00 0.00 C ATOM 1238 CG ASP A 83 8.698 -15.419 7.590 1.00 0.00 C ATOM 1239 OD1 ASP A 83 7.607 -15.962 7.312 1.00 0.00 O ATOM 1240 OD2 ASP A 83 9.315 -14.603 6.872 1.00 0.00 O ATOM 0 H ASP A 83 7.716 -13.894 9.004 1.00 0.00 H new ATOM 0 HA ASP A 83 7.903 -16.341 10.442 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.287 -15.263 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.556 -16.853 8.933 1.00 0.00 H new ATOM 1245 N GLU A 84 9.731 -15.999 12.153 1.00 0.00 N ATOM 1246 CA GLU A 84 10.617 -15.741 13.276 1.00 0.00 C ATOM 1247 C GLU A 84 11.841 -14.949 12.815 1.00 0.00 C ATOM 1248 O GLU A 84 12.376 -14.133 13.566 1.00 0.00 O ATOM 1249 CB GLU A 84 11.033 -17.047 13.956 1.00 0.00 C ATOM 1250 CG GLU A 84 10.530 -17.096 15.401 1.00 0.00 C ATOM 1251 CD GLU A 84 10.847 -18.447 16.046 1.00 0.00 C ATOM 1252 OE1 GLU A 84 12.040 -18.820 16.024 1.00 0.00 O ATOM 1253 OE2 GLU A 84 9.890 -19.077 16.544 1.00 0.00 O ATOM 0 H GLU A 84 9.380 -16.955 12.097 1.00 0.00 H new ATOM 0 HA GLU A 84 10.077 -15.143 14.010 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.634 -17.895 13.399 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.119 -17.139 13.942 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.993 -16.296 15.978 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.454 -16.923 15.421 1.00 0.00 H new ATOM 1260 N THR A 85 12.251 -15.214 11.584 1.00 0.00 N ATOM 1261 CA THR A 85 13.402 -14.536 11.015 1.00 0.00 C ATOM 1262 C THR A 85 13.024 -13.121 10.575 1.00 0.00 C ATOM 1263 O THR A 85 13.756 -12.169 10.834 1.00 0.00 O ATOM 1264 CB THR A 85 13.946 -15.401 9.876 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.298 -14.977 9.733 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.306 -15.065 8.528 1.00 0.00 C ATOM 0 H THR A 85 11.806 -15.890 10.964 1.00 0.00 H new ATOM 0 HA THR A 85 14.193 -14.412 11.755 1.00 0.00 H new ATOM 0 HB THR A 85 13.776 -16.453 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.727 -15.488 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.728 -15.707 7.755 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.229 -15.226 8.586 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.504 -14.022 8.281 1.00 0.00 H new ATOM 1274 N MET A 86 11.878 -13.028 9.914 1.00 0.00 N ATOM 1275 CA MET A 86 11.394 -11.744 9.435 1.00 0.00 C ATOM 1276 C MET A 86 11.262 -10.743 10.585 1.00 0.00 C ATOM 1277 O MET A 86 11.363 -9.535 10.375 1.00 0.00 O ATOM 1278 CB MET A 86 10.032 -11.932 8.763 1.00 0.00 C ATOM 1279 CG MET A 86 8.896 -11.520 9.703 1.00 0.00 C ATOM 1280 SD MET A 86 8.653 -9.754 9.630 1.00 0.00 S ATOM 1281 CE MET A 86 7.241 -9.680 8.538 1.00 0.00 C ATOM 0 H MET A 86 11.272 -13.820 9.699 1.00 0.00 H new ATOM 0 HA MET A 86 12.113 -11.350 8.717 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.987 -11.338 7.850 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.907 -12.975 8.471 1.00 0.00 H new ATOM 0 HG2 MET A 86 7.976 -12.034 9.422 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.131 -11.821 10.724 1.00 0.00 H new ATOM 0 HE1 MET A 86 6.824 -8.673 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.552 -9.931 7.524 1.00 0.00 H new ATOM 0 HE3 MET A 86 6.485 -10.390 8.872 1.00 0.00 H new ATOM 1291 N ALA A 87 11.040 -11.282 11.774 1.00 0.00 N ATOM 1292 CA ALA A 87 10.893 -10.453 12.957 1.00 0.00 C ATOM 1293 C ALA A 87 12.184 -9.663 13.183 1.00 0.00 C ATOM 1294 O ALA A 87 12.144 -8.456 13.416 1.00 0.00 O ATOM 1295 CB ALA A 87 10.532 -11.332 14.156 1.00 0.00 C ATOM 0 H ALA A 87 10.958 -12.284 11.944 1.00 0.00 H new ATOM 0 HA ALA A 87 10.084 -9.735 12.824 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.422 -10.709 15.044 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.594 -11.850 13.958 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.323 -12.064 14.322 1.00 0.00 H new ATOM 1301 N GLN A 88 13.298 -10.374 13.104 1.00 0.00 N ATOM 1302 CA GLN A 88 14.598 -9.755 13.296 1.00 0.00 C ATOM 1303 C GLN A 88 15.124 -9.202 11.970 1.00 0.00 C ATOM 1304 O GLN A 88 15.511 -8.037 11.889 1.00 0.00 O ATOM 1305 CB GLN A 88 15.591 -10.742 13.912 1.00 0.00 C ATOM 1306 CG GLN A 88 16.787 -10.009 14.523 1.00 0.00 C ATOM 1307 CD GLN A 88 17.355 -8.976 13.547 1.00 0.00 C ATOM 1308 OE1 GLN A 88 17.606 -7.833 13.891 1.00 0.00 O ATOM 1309 NE2 GLN A 88 17.540 -9.442 12.316 1.00 0.00 N ATOM 0 H GLN A 88 13.327 -11.375 12.909 1.00 0.00 H new ATOM 0 HA GLN A 88 14.483 -8.925 13.993 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.092 -11.334 14.680 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.938 -11.438 13.148 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.482 -9.514 15.445 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.562 -10.728 14.788 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.308 -10.411 12.097 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.914 -8.831 11.590 1.00 0.00 H new ATOM 1318 N GLN A 89 15.120 -10.064 10.964 1.00 0.00 N ATOM 1319 CA GLN A 89 15.593 -9.677 9.646 1.00 0.00 C ATOM 1320 C GLN A 89 15.154 -8.247 9.324 1.00 0.00 C ATOM 1321 O GLN A 89 15.987 -7.391 9.028 1.00 0.00 O ATOM 1322 CB GLN A 89 15.100 -10.654 8.578 1.00 0.00 C ATOM 1323 CG GLN A 89 15.843 -11.988 8.669 1.00 0.00 C ATOM 1324 CD GLN A 89 17.359 -11.774 8.653 1.00 0.00 C ATOM 1325 OE1 GLN A 89 18.030 -11.824 9.670 1.00 0.00 O ATOM 1326 NE2 GLN A 89 17.857 -11.532 7.444 1.00 0.00 N ATOM 0 H GLN A 89 14.797 -11.029 11.035 1.00 0.00 H new ATOM 0 HA GLN A 89 16.682 -9.711 9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.030 -10.821 8.699 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.245 -10.220 7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.555 -12.507 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.554 -12.627 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 89 17.238 -11.504 6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.858 -11.374 7.327 1.00 0.00 H new ATOM 1335 N LEU A 90 13.849 -8.031 9.392 1.00 0.00 N ATOM 1336 CA LEU A 90 13.291 -6.721 9.113 1.00 0.00 C ATOM 1337 C LEU A 90 14.099 -5.656 9.859 1.00 0.00 C ATOM 1338 O LEU A 90 14.457 -4.629 9.285 1.00 0.00 O ATOM 1339 CB LEU A 90 11.796 -6.695 9.435 1.00 0.00 C ATOM 1340 CG LEU A 90 10.853 -7.004 8.269 1.00 0.00 C ATOM 1341 CD1 LEU A 90 11.165 -8.373 7.660 1.00 0.00 C ATOM 1342 CD2 LEU A 90 9.391 -6.890 8.704 1.00 0.00 C ATOM 0 H LEU A 90 13.161 -8.743 9.637 1.00 0.00 H new ATOM 0 HA LEU A 90 13.369 -6.494 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.604 -7.413 10.232 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.546 -5.709 9.827 1.00 0.00 H new ATOM 0 HG LEU A 90 11.017 -6.260 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.481 -8.568 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.191 -8.382 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.046 -9.145 8.420 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.741 -7.114 7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.195 -7.597 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.194 -5.877 9.055 1.00 0.00 H new ATOM 1354 N VAL A 91 14.363 -5.940 11.126 1.00 0.00 N ATOM 1355 CA VAL A 91 15.122 -5.020 11.955 1.00 0.00 C ATOM 1356 C VAL A 91 16.428 -4.659 11.245 1.00 0.00 C ATOM 1357 O VAL A 91 17.072 -3.669 11.588 1.00 0.00 O ATOM 1358 CB VAL A 91 15.342 -5.628 13.342 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.851 -4.573 14.328 1.00 0.00 C ATOM 1360 CG2 VAL A 91 14.065 -6.292 13.860 1.00 0.00 C ATOM 0 H VAL A 91 14.065 -6.794 11.598 1.00 0.00 H new ATOM 0 HA VAL A 91 14.568 -4.093 12.105 1.00 0.00 H new ATOM 0 HB VAL A 91 16.106 -6.400 13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.999 -5.031 15.306 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.797 -4.167 13.970 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.119 -3.769 14.411 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.250 -6.716 14.847 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.270 -5.549 13.927 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.764 -7.085 13.175 1.00 0.00 H new ATOM 1370 N ASP A 92 16.781 -5.482 10.269 1.00 0.00 N ATOM 1371 CA ASP A 92 17.998 -5.263 9.509 1.00 0.00 C ATOM 1372 C ASP A 92 17.779 -4.112 8.524 1.00 0.00 C ATOM 1373 O ASP A 92 18.357 -3.036 8.682 1.00 0.00 O ATOM 1374 CB ASP A 92 18.378 -6.507 8.704 1.00 0.00 C ATOM 1375 CG ASP A 92 19.795 -6.496 8.125 1.00 0.00 C ATOM 1376 OD1 ASP A 92 20.648 -5.810 8.726 1.00 0.00 O ATOM 1377 OD2 ASP A 92 19.990 -7.175 7.092 1.00 0.00 O ATOM 0 H ASP A 92 16.244 -6.302 9.987 1.00 0.00 H new ATOM 0 HA ASP A 92 18.797 -5.032 10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 92 18.270 -7.382 9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 92 17.668 -6.622 7.885 1.00 0.00 H new ATOM 1382 N ILE A 93 16.944 -4.377 7.531 1.00 0.00 N ATOM 1383 CA ILE A 93 16.642 -3.376 6.521 1.00 0.00 C ATOM 1384 C ILE A 93 15.855 -2.231 7.163 1.00 0.00 C ATOM 1385 O ILE A 93 16.169 -1.062 6.948 1.00 0.00 O ATOM 1386 CB ILE A 93 15.929 -4.018 5.328 1.00 0.00 C ATOM 1387 CG1 ILE A 93 14.409 -3.923 5.481 1.00 0.00 C ATOM 1388 CG2 ILE A 93 16.396 -5.460 5.123 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.885 -5.003 6.430 1.00 0.00 C ATOM 0 H ILE A 93 16.467 -5.270 7.404 1.00 0.00 H new ATOM 0 HA ILE A 93 17.561 -2.948 6.122 1.00 0.00 H new ATOM 0 HB ILE A 93 16.197 -3.462 4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 93 14.139 -2.938 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.934 -4.029 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.875 -5.893 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 93 17.470 -5.472 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 93 16.177 -6.044 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.803 -4.913 6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.135 -5.987 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.343 -4.879 7.411 1.00 0.00 H new ATOM 1401 N ILE A 94 14.851 -2.608 7.939 1.00 0.00 N ATOM 1402 CA ILE A 94 14.018 -1.628 8.615 1.00 0.00 C ATOM 1403 C ILE A 94 14.909 -0.654 9.389 1.00 0.00 C ATOM 1404 O ILE A 94 14.509 0.475 9.666 1.00 0.00 O ATOM 1405 CB ILE A 94 12.967 -2.322 9.482 1.00 0.00 C ATOM 1406 CG1 ILE A 94 12.080 -3.240 8.638 1.00 0.00 C ATOM 1407 CG2 ILE A 94 12.146 -1.302 10.272 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.607 -3.086 9.021 1.00 0.00 C ATOM 0 H ILE A 94 14.595 -3.579 8.115 1.00 0.00 H new ATOM 0 HA ILE A 94 13.458 -1.040 7.888 1.00 0.00 H new ATOM 0 HB ILE A 94 13.484 -2.950 10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.211 -3.006 7.581 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.388 -4.276 8.776 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.406 -1.823 10.880 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.807 -0.726 10.919 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.639 -0.629 9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.000 -3.750 8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.475 -3.344 10.072 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.295 -2.054 8.859 1.00 0.00 H new ATOM 1420 N HIS A 95 16.101 -1.130 9.719 1.00 0.00 N ATOM 1421 CA HIS A 95 17.052 -0.317 10.457 1.00 0.00 C ATOM 1422 C HIS A 95 17.688 0.710 9.518 1.00 0.00 C ATOM 1423 O HIS A 95 18.050 1.806 9.944 1.00 0.00 O ATOM 1424 CB HIS A 95 18.089 -1.196 11.161 1.00 0.00 C ATOM 1425 CG HIS A 95 17.796 -1.440 12.623 1.00 0.00 C ATOM 1426 ND1 HIS A 95 18.788 -1.503 13.586 1.00 0.00 N ATOM 1427 CD2 HIS A 95 16.613 -1.635 13.273 1.00 0.00 C ATOM 1428 CE1 HIS A 95 18.216 -1.725 14.760 1.00 0.00 C ATOM 1429 NE2 HIS A 95 16.870 -1.809 14.565 1.00 0.00 N ATOM 0 H HIS A 95 16.429 -2.068 9.489 1.00 0.00 H new ATOM 0 HA HIS A 95 16.532 0.232 11.242 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.146 -2.156 10.647 1.00 0.00 H new ATOM 0 HB3 HIS A 95 19.069 -0.727 11.071 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.635 -1.646 12.816 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.727 -1.822 15.706 1.00 0.00 H new ATOM 0 HE2 HIS A 95 16.174 -1.978 15.291 1.00 0.00 H new ATOM 1438 N GLY A 96 17.805 0.320 8.257 1.00 0.00 N ATOM 1439 CA GLY A 96 18.389 1.193 7.254 1.00 0.00 C ATOM 1440 C GLY A 96 17.324 2.089 6.619 1.00 0.00 C ATOM 1441 O GLY A 96 17.638 3.161 6.104 1.00 0.00 O ATOM 0 H GLY A 96 17.505 -0.590 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.163 1.810 7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.872 0.594 6.482 1.00 0.00 H new ATOM 1445 N CYS A 97 16.087 1.619 6.679 1.00 0.00 N ATOM 1446 CA CYS A 97 14.974 2.366 6.117 1.00 0.00 C ATOM 1447 C CYS A 97 14.426 3.298 7.200 1.00 0.00 C ATOM 1448 O CYS A 97 14.481 4.520 7.057 1.00 0.00 O ATOM 1449 CB CYS A 97 13.892 1.436 5.564 1.00 0.00 C ATOM 1450 SG CYS A 97 13.868 1.288 3.740 1.00 0.00 S ATOM 0 H CYS A 97 15.830 0.730 7.108 1.00 0.00 H new ATOM 0 HA CYS A 97 15.320 2.958 5.270 1.00 0.00 H new ATOM 0 HB2 CYS A 97 14.031 0.444 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.919 1.795 5.898 1.00 0.00 H new ATOM 1455 N GLU A 98 13.912 2.688 8.257 1.00 0.00 N ATOM 1456 CA GLU A 98 13.356 3.449 9.363 1.00 0.00 C ATOM 1457 C GLU A 98 14.291 4.600 9.739 1.00 0.00 C ATOM 1458 O GLU A 98 13.836 5.664 10.155 1.00 0.00 O ATOM 1459 CB GLU A 98 13.083 2.546 10.567 1.00 0.00 C ATOM 1460 CG GLU A 98 12.061 3.184 11.510 1.00 0.00 C ATOM 1461 CD GLU A 98 12.635 3.337 12.920 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.625 4.090 13.051 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.073 2.696 13.834 1.00 0.00 O ATOM 0 H GLU A 98 13.869 1.675 8.371 1.00 0.00 H new ATOM 0 HA GLU A 98 12.403 3.872 9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.714 1.579 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.013 2.360 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.767 4.161 11.126 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.161 2.571 11.545 1.00 0.00 H new ATOM 1470 N LYS A 99 15.581 4.347 9.581 1.00 0.00 N ATOM 1471 CA LYS A 99 16.585 5.349 9.899 1.00 0.00 C ATOM 1472 C LYS A 99 16.582 6.429 8.817 1.00 0.00 C ATOM 1473 O LYS A 99 16.862 7.594 9.096 1.00 0.00 O ATOM 1474 CB LYS A 99 17.951 4.691 10.108 1.00 0.00 C ATOM 1475 CG LYS A 99 18.575 4.288 8.771 1.00 0.00 C ATOM 1476 CD LYS A 99 20.090 4.112 8.902 1.00 0.00 C ATOM 1477 CE LYS A 99 20.429 3.069 9.971 1.00 0.00 C ATOM 1478 NZ LYS A 99 21.798 3.288 10.491 1.00 0.00 N ATOM 0 H LYS A 99 15.955 3.463 9.237 1.00 0.00 H new ATOM 0 HA LYS A 99 16.347 5.842 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.615 5.380 10.630 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.842 3.811 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.126 3.358 8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.357 5.048 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.509 3.805 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.550 5.066 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.709 3.129 10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.350 2.067 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.013 2.573 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.482 3.208 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.862 4.237 10.912 1.00 0.00 H new ATOM 1492 N SER A 100 16.261 6.005 7.602 1.00 0.00 N ATOM 1493 CA SER A 100 16.218 6.923 6.477 1.00 0.00 C ATOM 1494 C SER A 100 14.789 7.426 6.266 1.00 0.00 C ATOM 1495 O SER A 100 14.554 8.317 5.452 1.00 0.00 O ATOM 1496 CB SER A 100 16.740 6.256 5.202 1.00 0.00 C ATOM 1497 OG SER A 100 17.831 6.974 4.632 1.00 0.00 O ATOM 0 H SER A 100 16.029 5.039 7.373 1.00 0.00 H new ATOM 0 HA SER A 100 16.865 7.771 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.055 5.238 5.429 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.932 6.185 4.473 1.00 0.00 H new ATOM 0 HG SER A 100 18.137 6.516 3.821 1.00 0.00 H new ATOM 1503 N ALA A 101 13.870 6.831 7.013 1.00 0.00 N ATOM 1504 CA ALA A 101 12.470 7.208 6.919 1.00 0.00 C ATOM 1505 C ALA A 101 12.015 7.805 8.252 1.00 0.00 C ATOM 1506 O ALA A 101 11.464 7.099 9.096 1.00 0.00 O ATOM 1507 CB ALA A 101 11.639 5.988 6.513 1.00 0.00 C ATOM 0 H ALA A 101 14.068 6.090 7.686 1.00 0.00 H new ATOM 0 HA ALA A 101 12.329 7.970 6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.589 6.270 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.982 5.620 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.754 5.204 7.261 1.00 0.00 H new ATOM 1513 N PRO A 102 12.270 9.131 8.403 1.00 0.00 N ATOM 1514 CA PRO A 102 11.892 9.832 9.620 1.00 0.00 C ATOM 1515 C PRO A 102 10.383 10.081 9.664 1.00 0.00 C ATOM 1516 O PRO A 102 9.672 9.766 8.712 1.00 0.00 O ATOM 1517 CB PRO A 102 12.706 11.115 9.603 1.00 0.00 C ATOM 1518 CG PRO A 102 13.155 11.306 8.164 1.00 0.00 C ATOM 1519 CD PRO A 102 12.921 9.998 7.426 1.00 0.00 C ATOM 0 HA PRO A 102 12.102 9.255 10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.108 11.961 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.563 11.043 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 102 12.596 12.115 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.209 11.583 8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.293 10.146 6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.859 9.567 7.078 1.00 0.00 H new ATOM 1527 N PRO A 103 9.931 10.658 10.809 1.00 0.00 N ATOM 1528 CA PRO A 103 8.519 10.953 10.990 1.00 0.00 C ATOM 1529 C PRO A 103 8.103 12.176 10.166 1.00 0.00 C ATOM 1530 O PRO A 103 7.414 13.060 10.669 1.00 0.00 O ATOM 1531 CB PRO A 103 8.348 11.159 12.485 1.00 0.00 C ATOM 1532 CG PRO A 103 9.741 11.431 13.029 1.00 0.00 C ATOM 1533 CD PRO A 103 10.745 11.045 11.956 1.00 0.00 C ATOM 0 HA PRO A 103 7.873 10.149 10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 103 7.678 11.994 12.690 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.911 10.277 12.953 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.849 12.483 13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 103 9.914 10.856 13.938 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.403 11.879 11.711 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.381 10.223 12.286 1.00 0.00 H new ATOM 1541 N ASN A 104 8.544 12.184 8.917 1.00 0.00 N ATOM 1542 CA ASN A 104 8.227 13.283 8.020 1.00 0.00 C ATOM 1543 C ASN A 104 6.712 13.350 7.817 1.00 0.00 C ATOM 1544 O ASN A 104 6.051 12.319 7.704 1.00 0.00 O ATOM 1545 CB ASN A 104 8.879 13.082 6.650 1.00 0.00 C ATOM 1546 CG ASN A 104 9.277 14.422 6.030 1.00 0.00 C ATOM 1547 OD1 ASN A 104 8.447 15.255 5.706 1.00 0.00 O ATOM 1548 ND2 ASN A 104 10.588 14.582 5.882 1.00 0.00 N ATOM 0 H ASN A 104 9.118 11.448 8.505 1.00 0.00 H new ATOM 0 HA ASN A 104 8.604 14.202 8.468 1.00 0.00 H new ATOM 0 HB2 ASN A 104 9.760 12.449 6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.188 12.562 5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.954 15.443 5.476 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.228 13.844 6.175 1.00 0.00 H new ATOM 1555 N ASP A 105 6.205 14.574 7.778 1.00 0.00 N ATOM 1556 CA ASP A 105 4.781 14.788 7.592 1.00 0.00 C ATOM 1557 C ASP A 105 4.335 14.122 6.289 1.00 0.00 C ATOM 1558 O ASP A 105 3.145 13.890 6.080 1.00 0.00 O ATOM 1559 CB ASP A 105 4.458 16.281 7.493 1.00 0.00 C ATOM 1560 CG ASP A 105 4.618 17.064 8.798 1.00 0.00 C ATOM 1561 OD1 ASP A 105 5.781 17.384 9.128 1.00 0.00 O ATOM 1562 OD2 ASP A 105 3.575 17.326 9.436 1.00 0.00 O ATOM 0 H ASP A 105 6.756 15.427 7.872 1.00 0.00 H new ATOM 0 HA ASP A 105 4.261 14.361 8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.104 16.728 6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 105 3.432 16.393 7.143 1.00 0.00 H new ATOM 1567 N ASP A 106 5.314 13.832 5.445 1.00 0.00 N ATOM 1568 CA ASP A 106 5.039 13.195 4.167 1.00 0.00 C ATOM 1569 C ASP A 106 4.825 11.697 4.386 1.00 0.00 C ATOM 1570 O ASP A 106 5.188 10.884 3.535 1.00 0.00 O ATOM 1571 CB ASP A 106 6.211 13.370 3.200 1.00 0.00 C ATOM 1572 CG ASP A 106 5.823 13.805 1.786 1.00 0.00 C ATOM 1573 OD1 ASP A 106 5.317 12.934 1.044 1.00 0.00 O ATOM 1574 OD2 ASP A 106 6.041 14.996 1.478 1.00 0.00 O ATOM 0 H ASP A 106 6.300 14.026 5.621 1.00 0.00 H new ATOM 0 HA ASP A 106 4.150 13.661 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 106 6.898 14.107 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.755 12.427 3.138 1.00 0.00 H new ATOM 1579 N LYS A 107 4.237 11.375 5.527 1.00 0.00 N ATOM 1580 CA LYS A 107 3.969 9.987 5.867 1.00 0.00 C ATOM 1581 C LYS A 107 3.481 9.246 4.621 1.00 0.00 C ATOM 1582 O LYS A 107 3.641 8.032 4.514 1.00 0.00 O ATOM 1583 CB LYS A 107 3.004 9.902 7.051 1.00 0.00 C ATOM 1584 CG LYS A 107 3.766 9.878 8.378 1.00 0.00 C ATOM 1585 CD LYS A 107 2.948 10.537 9.491 1.00 0.00 C ATOM 1586 CE LYS A 107 3.263 9.906 10.849 1.00 0.00 C ATOM 1587 NZ LYS A 107 3.903 10.895 11.744 1.00 0.00 N ATOM 0 H LYS A 107 3.938 12.051 6.230 1.00 0.00 H new ATOM 0 HA LYS A 107 4.883 9.492 6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.324 10.754 7.033 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.392 9.004 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.995 8.848 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.718 10.397 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.164 11.605 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.884 10.434 9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.346 9.534 11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 107 3.922 9.049 10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.110 10.450 12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.789 11.230 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.261 11.700 11.887 1.00 0.00 H new ATOM 1601 N CYS A 108 2.895 10.009 3.710 1.00 0.00 N ATOM 1602 CA CYS A 108 2.382 9.441 2.475 1.00 0.00 C ATOM 1603 C CYS A 108 3.549 8.800 1.720 1.00 0.00 C ATOM 1604 O CYS A 108 3.469 7.641 1.314 1.00 0.00 O ATOM 1605 CB CYS A 108 1.659 10.488 1.627 1.00 0.00 C ATOM 1606 SG CYS A 108 0.638 9.806 0.271 1.00 0.00 S ATOM 0 H CYS A 108 2.764 11.016 3.803 1.00 0.00 H new ATOM 0 HA CYS A 108 1.637 8.679 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 108 1.021 11.085 2.278 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.400 11.164 1.200 1.00 0.00 H new ATOM 1611 N MET A 109 4.606 9.583 1.554 1.00 0.00 N ATOM 1612 CA MET A 109 5.786 9.108 0.855 1.00 0.00 C ATOM 1613 C MET A 109 6.915 8.793 1.838 1.00 0.00 C ATOM 1614 O MET A 109 7.970 8.300 1.440 1.00 0.00 O ATOM 1615 CB MET A 109 6.256 10.172 -0.138 1.00 0.00 C ATOM 1616 CG MET A 109 7.074 9.545 -1.269 1.00 0.00 C ATOM 1617 SD MET A 109 8.219 10.744 -1.931 1.00 0.00 S ATOM 1618 CE MET A 109 9.759 10.059 -1.340 1.00 0.00 C ATOM 0 H MET A 109 4.668 10.543 1.892 1.00 0.00 H new ATOM 0 HA MET A 109 5.526 8.193 0.323 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.393 10.692 -0.554 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.858 10.918 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.618 8.677 -0.897 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.409 9.191 -2.057 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.586 10.689 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.744 10.015 -0.251 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.888 9.054 -1.742 1.00 0.00 H new ATOM 1628 N LYS A 110 6.657 9.090 3.102 1.00 0.00 N ATOM 1629 CA LYS A 110 7.638 8.846 4.146 1.00 0.00 C ATOM 1630 C LYS A 110 7.459 7.425 4.684 1.00 0.00 C ATOM 1631 O LYS A 110 8.308 6.562 4.462 1.00 0.00 O ATOM 1632 CB LYS A 110 7.554 9.926 5.225 1.00 0.00 C ATOM 1633 CG LYS A 110 8.327 9.512 6.478 1.00 0.00 C ATOM 1634 CD LYS A 110 7.392 9.390 7.683 1.00 0.00 C ATOM 1635 CE LYS A 110 7.612 8.065 8.416 1.00 0.00 C ATOM 1636 NZ LYS A 110 7.036 8.125 9.778 1.00 0.00 N ATOM 0 H LYS A 110 5.781 9.498 3.428 1.00 0.00 H new ATOM 0 HA LYS A 110 8.648 8.911 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.956 10.863 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.510 10.108 5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.827 8.559 6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.105 10.246 6.689 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.564 10.221 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.356 9.459 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.151 7.252 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.679 7.848 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.803 8.206 10.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.410 8.952 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.490 7.259 9.962 1.00 0.00 H new ATOM 1650 N THR A 111 6.352 7.225 5.383 1.00 0.00 N ATOM 1651 CA THR A 111 6.051 5.923 5.955 1.00 0.00 C ATOM 1652 C THR A 111 6.143 4.836 4.882 1.00 0.00 C ATOM 1653 O THR A 111 6.686 3.760 5.130 1.00 0.00 O ATOM 1654 CB THR A 111 4.676 6.006 6.620 1.00 0.00 C ATOM 1655 OG1 THR A 111 4.881 6.872 7.734 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.252 4.679 7.254 1.00 0.00 C ATOM 0 H THR A 111 5.651 7.943 5.567 1.00 0.00 H new ATOM 0 HA THR A 111 6.780 5.647 6.717 1.00 0.00 H new ATOM 0 HB THR A 111 3.934 6.310 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.262 6.630 8.454 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.269 4.792 7.712 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.208 3.907 6.486 1.00 0.00 H new ATOM 0 HG23 THR A 111 4.977 4.392 8.016 1.00 0.00 H new ATOM 1664 N ILE A 112 5.604 5.154 3.714 1.00 0.00 N ATOM 1665 CA ILE A 112 5.619 4.217 2.604 1.00 0.00 C ATOM 1666 C ILE A 112 7.020 3.621 2.463 1.00 0.00 C ATOM 1667 O ILE A 112 7.173 2.408 2.336 1.00 0.00 O ATOM 1668 CB ILE A 112 5.105 4.890 1.329 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.598 3.850 0.327 1.00 0.00 C ATOM 1670 CG2 ILE A 112 6.175 5.799 0.720 1.00 0.00 C ATOM 1671 CD1 ILE A 112 5.722 2.905 -0.099 1.00 0.00 C ATOM 0 H ILE A 112 5.154 6.047 3.513 1.00 0.00 H new ATOM 0 HA ILE A 112 4.938 3.388 2.796 1.00 0.00 H new ATOM 0 HB ILE A 112 4.258 5.522 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.785 3.276 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.190 4.353 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.785 6.265 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.447 6.572 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.057 5.208 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.334 2.176 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.522 3.479 -0.566 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.112 2.385 0.776 1.00 0.00 H new ATOM 1683 N ASP A 113 8.009 4.502 2.491 1.00 0.00 N ATOM 1684 CA ASP A 113 9.392 4.079 2.369 1.00 0.00 C ATOM 1685 C ASP A 113 9.605 2.800 3.182 1.00 0.00 C ATOM 1686 O ASP A 113 10.097 1.802 2.660 1.00 0.00 O ATOM 1687 CB ASP A 113 10.346 5.147 2.909 1.00 0.00 C ATOM 1688 CG ASP A 113 11.658 5.293 2.135 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.606 4.552 2.477 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.686 6.143 1.218 1.00 0.00 O ATOM 0 H ASP A 113 7.879 5.508 2.597 1.00 0.00 H new ATOM 0 HA ASP A 113 9.600 3.911 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.831 6.108 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.579 4.913 3.948 1.00 0.00 H new ATOM 1695 N VAL A 114 9.224 2.874 4.449 1.00 0.00 N ATOM 1696 CA VAL A 114 9.365 1.736 5.340 1.00 0.00 C ATOM 1697 C VAL A 114 8.226 0.747 5.084 1.00 0.00 C ATOM 1698 O VAL A 114 8.461 -0.449 4.924 1.00 0.00 O ATOM 1699 CB VAL A 114 9.428 2.212 6.793 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.423 1.378 7.602 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.773 3.701 6.867 1.00 0.00 C ATOM 0 H VAL A 114 8.818 3.705 4.879 1.00 0.00 H new ATOM 0 HA VAL A 114 10.300 1.212 5.143 1.00 0.00 H new ATOM 0 HB VAL A 114 8.441 2.074 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.448 1.738 8.631 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.115 0.332 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.416 1.469 7.162 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.812 4.014 7.910 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.743 3.873 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.011 4.278 6.343 1.00 0.00 H new ATOM 1711 N ALA A 115 7.015 1.284 5.055 1.00 0.00 N ATOM 1712 CA ALA A 115 5.838 0.465 4.820 1.00 0.00 C ATOM 1713 C ALA A 115 6.095 -0.462 3.630 1.00 0.00 C ATOM 1714 O ALA A 115 5.457 -1.505 3.503 1.00 0.00 O ATOM 1715 CB ALA A 115 4.622 1.367 4.604 1.00 0.00 C ATOM 0 H ALA A 115 6.824 2.277 5.190 1.00 0.00 H new ATOM 0 HA ALA A 115 5.629 -0.162 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.740 0.752 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.464 1.983 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.795 2.010 3.741 1.00 0.00 H new ATOM 1721 N MET A 116 7.032 -0.047 2.790 1.00 0.00 N ATOM 1722 CA MET A 116 7.381 -0.827 1.614 1.00 0.00 C ATOM 1723 C MET A 116 8.720 -1.542 1.809 1.00 0.00 C ATOM 1724 O MET A 116 8.900 -2.668 1.348 1.00 0.00 O ATOM 1725 CB MET A 116 7.467 0.095 0.396 1.00 0.00 C ATOM 1726 CG MET A 116 6.210 -0.019 -0.467 1.00 0.00 C ATOM 1727 SD MET A 116 5.999 -1.702 -1.019 1.00 0.00 S ATOM 1728 CE MET A 116 4.218 -1.816 -0.996 1.00 0.00 C ATOM 0 H MET A 116 7.560 0.819 2.900 1.00 0.00 H new ATOM 0 HA MET A 116 6.608 -1.579 1.457 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.595 1.126 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.345 -0.161 -0.198 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.337 0.297 0.104 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.287 0.647 -1.326 1.00 0.00 H new ATOM 0 HE1 MET A 116 3.919 -2.860 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 116 3.840 -1.412 -0.057 1.00 0.00 H new ATOM 0 HE3 MET A 116 3.806 -1.245 -1.828 1.00 0.00 H new ATOM 1738 N CYS A 117 9.626 -0.858 2.494 1.00 0.00 N ATOM 1739 CA CYS A 117 10.941 -1.415 2.757 1.00 0.00 C ATOM 1740 C CYS A 117 10.774 -2.886 3.139 1.00 0.00 C ATOM 1741 O CYS A 117 11.398 -3.762 2.542 1.00 0.00 O ATOM 1742 CB CYS A 117 11.685 -0.624 3.836 1.00 0.00 C ATOM 1743 SG CYS A 117 13.506 -0.814 3.809 1.00 0.00 S ATOM 0 H CYS A 117 9.474 0.076 2.874 1.00 0.00 H new ATOM 0 HA CYS A 117 11.555 -1.343 1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.442 0.433 3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.316 -0.934 4.814 1.00 0.00 H new ATOM 1748 N PHE A 118 9.929 -3.114 4.134 1.00 0.00 N ATOM 1749 CA PHE A 118 9.672 -4.464 4.605 1.00 0.00 C ATOM 1750 C PHE A 118 8.977 -5.296 3.526 1.00 0.00 C ATOM 1751 O PHE A 118 9.318 -6.461 3.320 1.00 0.00 O ATOM 1752 CB PHE A 118 8.747 -4.346 5.818 1.00 0.00 C ATOM 1753 CG PHE A 118 7.868 -5.577 6.051 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.361 -6.821 5.809 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.594 -5.427 6.501 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.546 -7.963 6.025 1.00 0.00 C ATOM 1757 CE2 PHE A 118 5.779 -6.570 6.717 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.272 -7.814 6.475 1.00 0.00 C ATOM 0 H PHE A 118 9.413 -2.385 4.627 1.00 0.00 H new ATOM 0 HA PHE A 118 10.611 -4.956 4.857 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.352 -4.170 6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 118 8.106 -3.473 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.373 -6.940 5.452 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.202 -4.439 6.694 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.938 -8.951 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.767 -6.451 7.074 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.652 -8.683 6.640 1.00 0.00 H new ATOM 1768 N LYS A 119 8.015 -4.669 2.867 1.00 0.00 N ATOM 1769 CA LYS A 119 7.269 -5.336 1.815 1.00 0.00 C ATOM 1770 C LYS A 119 8.231 -5.765 0.706 1.00 0.00 C ATOM 1771 O LYS A 119 7.988 -6.751 0.013 1.00 0.00 O ATOM 1772 CB LYS A 119 6.121 -4.451 1.325 1.00 0.00 C ATOM 1773 CG LYS A 119 4.782 -5.183 1.428 1.00 0.00 C ATOM 1774 CD LYS A 119 3.653 -4.212 1.783 1.00 0.00 C ATOM 1775 CE LYS A 119 2.322 -4.677 1.187 1.00 0.00 C ATOM 1776 NZ LYS A 119 1.609 -5.558 2.138 1.00 0.00 N ATOM 0 H LYS A 119 7.735 -3.704 3.042 1.00 0.00 H new ATOM 0 HA LYS A 119 6.800 -6.242 2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.085 -3.535 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.300 -4.157 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.559 -5.676 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.847 -5.963 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.563 -4.134 2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.894 -3.216 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.702 -3.813 0.948 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.501 -5.209 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.708 -5.865 1.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.196 -6.391 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.421 -5.038 3.019 1.00 0.00 H new ATOM 1790 N LYS A 120 9.305 -5.001 0.571 1.00 0.00 N ATOM 1791 CA LYS A 120 10.306 -5.288 -0.442 1.00 0.00 C ATOM 1792 C LYS A 120 10.866 -6.694 -0.216 1.00 0.00 C ATOM 1793 O LYS A 120 11.265 -7.367 -1.165 1.00 0.00 O ATOM 1794 CB LYS A 120 11.377 -4.196 -0.463 1.00 0.00 C ATOM 1795 CG LYS A 120 11.321 -3.397 -1.766 1.00 0.00 C ATOM 1796 CD LYS A 120 12.452 -3.805 -2.710 1.00 0.00 C ATOM 1797 CE LYS A 120 12.184 -5.181 -3.325 1.00 0.00 C ATOM 1798 NZ LYS A 120 13.440 -5.958 -3.424 1.00 0.00 N ATOM 0 H LYS A 120 9.504 -4.183 1.147 1.00 0.00 H new ATOM 0 HA LYS A 120 9.856 -5.279 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.235 -3.526 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.363 -4.647 -0.351 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.360 -3.558 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.393 -2.332 -1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.555 -3.063 -3.502 1.00 0.00 H new ATOM 0 HD3 LYS A 120 13.396 -3.824 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 120 11.461 -5.723 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 120 11.743 -5.064 -4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 13.240 -6.889 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.118 -5.446 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 13.845 -6.086 -2.475 1.00 0.00 H new ATOM 1812 N GLU A 121 10.875 -7.096 1.047 1.00 0.00 N ATOM 1813 CA GLU A 121 11.380 -8.410 1.410 1.00 0.00 C ATOM 1814 C GLU A 121 10.555 -9.501 0.726 1.00 0.00 C ATOM 1815 O GLU A 121 11.066 -10.583 0.440 1.00 0.00 O ATOM 1816 CB GLU A 121 11.384 -8.595 2.929 1.00 0.00 C ATOM 1817 CG GLU A 121 12.135 -7.455 3.619 1.00 0.00 C ATOM 1818 CD GLU A 121 13.648 -7.627 3.472 1.00 0.00 C ATOM 1819 OE1 GLU A 121 14.233 -8.284 4.360 1.00 0.00 O ATOM 1820 OE2 GLU A 121 14.186 -7.100 2.474 1.00 0.00 O ATOM 0 H GLU A 121 10.541 -6.536 1.831 1.00 0.00 H new ATOM 0 HA GLU A 121 12.411 -8.491 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.359 -8.634 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.850 -9.547 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.830 -6.501 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.870 -7.427 4.676 1.00 0.00 H new ATOM 1827 N ILE A 122 9.293 -9.182 0.484 1.00 0.00 N ATOM 1828 CA ILE A 122 8.393 -10.121 -0.162 1.00 0.00 C ATOM 1829 C ILE A 122 8.692 -10.161 -1.661 1.00 0.00 C ATOM 1830 O ILE A 122 8.688 -11.230 -2.271 1.00 0.00 O ATOM 1831 CB ILE A 122 6.938 -9.782 0.167 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.820 -9.159 1.558 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.039 -11.011 0.012 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.689 -9.909 2.571 1.00 0.00 C ATOM 0 H ILE A 122 8.872 -8.285 0.724 1.00 0.00 H new ATOM 0 HA ILE A 122 8.556 -11.128 0.221 1.00 0.00 H new ATOM 0 HB ILE A 122 6.592 -9.037 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.122 -8.113 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.779 -9.178 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.010 -10.742 0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.090 -11.372 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.376 -11.796 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.587 -9.445 3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.368 -10.949 2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.732 -9.867 2.257 1.00 0.00 H new ATOM 1846 N HIS A 123 8.944 -8.983 -2.213 1.00 0.00 N ATOM 1847 CA HIS A 123 9.243 -8.870 -3.630 1.00 0.00 C ATOM 1848 C HIS A 123 10.325 -9.884 -4.009 1.00 0.00 C ATOM 1849 O HIS A 123 10.508 -10.192 -5.187 1.00 0.00 O ATOM 1850 CB HIS A 123 9.629 -7.433 -3.991 1.00 0.00 C ATOM 1851 CG HIS A 123 8.773 -6.383 -3.321 1.00 0.00 C ATOM 1852 ND1 HIS A 123 9.020 -5.026 -3.445 1.00 0.00 N ATOM 1853 CD2 HIS A 123 7.675 -6.504 -2.522 1.00 0.00 C ATOM 1854 CE1 HIS A 123 8.104 -4.370 -2.746 1.00 0.00 C ATOM 1855 NE2 HIS A 123 7.272 -5.288 -2.175 1.00 0.00 N ATOM 0 H HIS A 123 8.947 -8.099 -1.704 1.00 0.00 H new ATOM 0 HA HIS A 123 8.352 -9.105 -4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 123 10.671 -7.267 -3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.560 -7.309 -5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 123 7.212 -7.432 -2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.030 -3.297 -2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 123 6.472 -5.075 -1.579 1.00 0.00 H new ATOM 1864 N LYS A 124 11.012 -10.378 -2.989 1.00 0.00 N ATOM 1865 CA LYS A 124 12.070 -11.350 -3.200 1.00 0.00 C ATOM 1866 C LYS A 124 11.511 -12.759 -2.985 1.00 0.00 C ATOM 1867 O LYS A 124 12.250 -13.677 -2.633 1.00 0.00 O ATOM 1868 CB LYS A 124 13.279 -11.028 -2.321 1.00 0.00 C ATOM 1869 CG LYS A 124 13.439 -9.516 -2.143 1.00 0.00 C ATOM 1870 CD LYS A 124 14.821 -9.174 -1.582 1.00 0.00 C ATOM 1871 CE LYS A 124 14.705 -8.244 -0.373 1.00 0.00 C ATOM 1872 NZ LYS A 124 14.996 -8.980 0.878 1.00 0.00 N ATOM 0 H LYS A 124 10.856 -10.123 -2.014 1.00 0.00 H new ATOM 0 HA LYS A 124 12.432 -11.302 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.162 -11.502 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.181 -11.443 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.298 -9.016 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.667 -9.141 -1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 124 15.337 -10.090 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.424 -8.698 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.398 -7.410 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.702 -7.821 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 15.063 -8.308 1.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.232 -9.661 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.897 -9.489 0.779 1.00 0.00 H new ATOM 1886 N LEU A 125 10.210 -12.884 -3.203 1.00 0.00 N ATOM 1887 CA LEU A 125 9.544 -14.166 -3.036 1.00 0.00 C ATOM 1888 C LEU A 125 10.393 -15.264 -3.675 1.00 0.00 C ATOM 1889 O LEU A 125 11.309 -15.793 -3.044 1.00 0.00 O ATOM 1890 CB LEU A 125 8.114 -14.099 -3.579 1.00 0.00 C ATOM 1891 CG LEU A 125 7.823 -12.970 -4.567 1.00 0.00 C ATOM 1892 CD1 LEU A 125 8.923 -12.872 -5.628 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.437 -13.133 -5.195 1.00 0.00 C ATOM 0 H LEU A 125 9.600 -12.120 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 125 9.449 -14.412 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.887 -15.048 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.431 -14.001 -2.735 1.00 0.00 H new ATOM 0 HG LEU A 125 7.819 -12.029 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.691 -12.061 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.879 -12.674 -5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.982 -13.811 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.256 -12.316 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.388 -14.083 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.679 -13.116 -4.412 1.00 0.00 H new ATOM 1905 N ASN A 126 10.063 -15.577 -4.920 1.00 0.00 N ATOM 1906 CA ASN A 126 10.784 -16.604 -5.650 1.00 0.00 C ATOM 1907 C ASN A 126 11.622 -15.949 -6.751 1.00 0.00 C ATOM 1908 O ASN A 126 12.368 -16.626 -7.456 1.00 0.00 O ATOM 1909 CB ASN A 126 9.820 -17.588 -6.314 1.00 0.00 C ATOM 1910 CG ASN A 126 10.540 -18.439 -7.364 1.00 0.00 C ATOM 1911 OD1 ASN A 126 11.048 -19.513 -7.088 1.00 0.00 O ATOM 1912 ND2 ASN A 126 10.555 -17.899 -8.580 1.00 0.00 N ATOM 0 H ASN A 126 9.305 -15.136 -5.441 1.00 0.00 H new ATOM 0 HA ASN A 126 11.415 -17.140 -4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.378 -18.236 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.002 -17.041 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.011 -18.388 -9.350 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.110 -16.996 -8.742 1.00 0.00 H new ATOM 1919 N TRP A 127 11.470 -14.637 -6.863 1.00 0.00 N ATOM 1920 CA TRP A 127 12.203 -13.882 -7.865 1.00 0.00 C ATOM 1921 C TRP A 127 13.535 -13.451 -7.250 1.00 0.00 C ATOM 1922 O TRP A 127 13.639 -13.282 -6.035 1.00 0.00 O ATOM 1923 CB TRP A 127 11.373 -12.703 -8.378 1.00 0.00 C ATOM 1924 CG TRP A 127 9.871 -12.981 -8.442 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.255 -14.160 -8.616 1.00 0.00 C ATOM 1926 CD2 TRP A 127 8.810 -12.009 -8.322 1.00 0.00 C ATOM 1927 NE1 TRP A 127 7.883 -14.018 -8.618 1.00 0.00 N ATOM 1928 CE2 TRP A 127 7.604 -12.670 -8.434 1.00 0.00 C ATOM 1929 CE3 TRP A 127 8.869 -10.619 -8.125 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 6.365 -12.020 -8.362 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 7.622 -9.984 -8.057 1.00 0.00 C ATOM 1932 CH2 TRP A 127 6.399 -10.634 -8.168 1.00 0.00 C ATOM 0 H TRP A 127 10.850 -14.078 -6.277 1.00 0.00 H new ATOM 0 HA TRP A 127 12.406 -14.498 -8.741 1.00 0.00 H new ATOM 0 HB2 TRP A 127 11.546 -11.842 -7.732 1.00 0.00 H new ATOM 0 HB3 TRP A 127 11.724 -12.430 -9.373 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.769 -15.102 -8.739 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.199 -14.766 -8.733 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.802 -10.083 -8.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.434 -12.559 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 7.611 -8.914 -7.908 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.479 -10.072 -8.105 1.00 0.00 H new ATOM 1943 N VAL A 128 14.525 -13.283 -8.116 1.00 0.00 N ATOM 1944 CA VAL A 128 15.847 -12.874 -7.674 1.00 0.00 C ATOM 1945 C VAL A 128 15.983 -11.358 -7.819 1.00 0.00 C ATOM 1946 O VAL A 128 15.918 -10.829 -8.928 1.00 0.00 O ATOM 1947 CB VAL A 128 16.918 -13.648 -8.446 1.00 0.00 C ATOM 1948 CG1 VAL A 128 16.676 -13.562 -9.954 1.00 0.00 C ATOM 1949 CG2 VAL A 128 18.320 -13.149 -8.085 1.00 0.00 C ATOM 0 H VAL A 128 14.437 -13.423 -9.122 1.00 0.00 H new ATOM 0 HA VAL A 128 15.988 -13.112 -6.620 1.00 0.00 H new ATOM 0 HB VAL A 128 16.850 -14.696 -8.156 1.00 0.00 H new ATOM 0 HG11 VAL A 128 17.451 -14.120 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 128 15.700 -13.986 -10.191 1.00 0.00 H new ATOM 0 HG13 VAL A 128 16.704 -12.519 -10.268 1.00 0.00 H new ATOM 0 HG21 VAL A 128 19.063 -13.715 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 128 18.405 -12.091 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 128 18.491 -13.285 -7.017 1.00 0.00 H new ATOM 1959 N PRO A 129 16.173 -10.683 -6.654 1.00 0.00 N ATOM 1960 CA PRO A 129 16.318 -9.238 -6.640 1.00 0.00 C ATOM 1961 C PRO A 129 17.700 -8.822 -7.148 1.00 0.00 C ATOM 1962 O PRO A 129 18.394 -8.040 -6.498 1.00 0.00 O ATOM 1963 CB PRO A 129 16.068 -8.831 -5.197 1.00 0.00 C ATOM 1964 CG PRO A 129 16.251 -10.092 -4.370 1.00 0.00 C ATOM 1965 CD PRO A 129 16.255 -11.277 -5.322 1.00 0.00 C ATOM 0 HA PRO A 129 15.616 -8.738 -7.307 1.00 0.00 H new ATOM 0 HB2 PRO A 129 16.766 -8.054 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.064 -8.426 -5.074 1.00 0.00 H new ATOM 0 HG2 PRO A 129 17.185 -10.049 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.447 -10.191 -3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 129 17.161 -11.873 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.411 -11.941 -5.132 1.00 0.00 H new ATOM 1973 N ASN A 130 18.059 -9.362 -8.302 1.00 0.00 N ATOM 1974 CA ASN A 130 19.346 -9.056 -8.904 1.00 0.00 C ATOM 1975 C ASN A 130 19.651 -7.568 -8.717 1.00 0.00 C ATOM 1976 O ASN A 130 20.814 -7.174 -8.641 1.00 0.00 O ATOM 1977 CB ASN A 130 19.337 -9.351 -10.404 1.00 0.00 C ATOM 1978 CG ASN A 130 17.959 -9.074 -11.010 1.00 0.00 C ATOM 1979 OD1 ASN A 130 17.400 -7.997 -10.876 1.00 0.00 O ATOM 1980 ND2 ASN A 130 17.445 -10.101 -11.679 1.00 0.00 N ATOM 0 H ASN A 130 17.481 -10.010 -8.837 1.00 0.00 H new ATOM 0 HA ASN A 130 20.100 -9.676 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 130 20.087 -8.738 -10.903 1.00 0.00 H new ATOM 0 HB3 ASN A 130 19.611 -10.392 -10.575 1.00 0.00 H new ATOM 0 HD21 ASN A 130 16.529 -10.016 -12.119 1.00 0.00 H new ATOM 0 HD22 ASN A 130 17.967 -10.974 -11.752 1.00 0.00 H new ATOM 1987 N MET A 131 18.586 -6.783 -8.647 1.00 0.00 N ATOM 1988 CA MET A 131 18.726 -5.348 -8.470 1.00 0.00 C ATOM 1989 C MET A 131 18.636 -4.966 -6.992 1.00 0.00 C ATOM 1990 O MET A 131 17.547 -4.935 -6.420 1.00 0.00 O ATOM 1991 CB MET A 131 17.624 -4.627 -9.252 1.00 0.00 C ATOM 1992 CG MET A 131 17.981 -4.529 -10.737 1.00 0.00 C ATOM 1993 SD MET A 131 19.263 -3.311 -10.977 1.00 0.00 S ATOM 1994 CE MET A 131 19.266 -3.211 -12.759 1.00 0.00 C ATOM 0 H MET A 131 17.623 -7.113 -8.710 1.00 0.00 H new ATOM 0 HA MET A 131 19.705 -5.049 -8.844 1.00 0.00 H new ATOM 0 HB2 MET A 131 16.681 -5.161 -9.135 1.00 0.00 H new ATOM 0 HB3 MET A 131 17.477 -3.628 -8.843 1.00 0.00 H new ATOM 0 HG2 MET A 131 18.316 -5.499 -11.104 1.00 0.00 H new ATOM 0 HG3 MET A 131 17.097 -4.258 -11.315 1.00 0.00 H new ATOM 0 HE1 MET A 131 20.016 -2.489 -13.082 1.00 0.00 H new ATOM 0 HE2 MET A 131 19.501 -4.189 -13.178 1.00 0.00 H new ATOM 0 HE3 MET A 131 18.283 -2.894 -13.107 1.00 0.00 H new ATOM 2004 N ASP A 132 19.794 -4.685 -6.415 1.00 0.00 N ATOM 2005 CA ASP A 132 19.860 -4.307 -5.013 1.00 0.00 C ATOM 2006 C ASP A 132 20.634 -2.994 -4.880 1.00 0.00 C ATOM 2007 O ASP A 132 21.756 -2.878 -5.372 1.00 0.00 O ATOM 2008 CB ASP A 132 20.589 -5.371 -4.189 1.00 0.00 C ATOM 2009 CG ASP A 132 20.959 -4.946 -2.766 1.00 0.00 C ATOM 2010 OD1 ASP A 132 20.212 -4.112 -2.211 1.00 0.00 O ATOM 2011 OD2 ASP A 132 21.979 -5.465 -2.266 1.00 0.00 O ATOM 0 H ASP A 132 20.695 -4.711 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 132 18.840 -4.201 -4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 132 19.961 -6.260 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 132 21.500 -5.656 -4.716 1.00 0.00 H new ATOM 2016 N LEU A 133 20.006 -2.039 -4.210 1.00 0.00 N ATOM 2017 CA LEU A 133 20.623 -0.739 -4.004 1.00 0.00 C ATOM 2018 C LEU A 133 21.918 -0.913 -3.212 1.00 0.00 C ATOM 2019 O LEU A 133 21.938 -0.719 -1.997 1.00 0.00 O ATOM 2020 CB LEU A 133 19.630 0.228 -3.358 1.00 0.00 C ATOM 2021 CG LEU A 133 19.709 1.684 -3.824 1.00 0.00 C ATOM 2022 CD1 LEU A 133 21.102 2.265 -3.570 1.00 0.00 C ATOM 2023 CD2 LEU A 133 19.294 1.813 -5.291 1.00 0.00 C ATOM 0 H LEU A 133 19.076 -2.139 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 133 20.894 -0.290 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 133 18.621 -0.139 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 133 19.780 0.204 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 133 19.002 2.270 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 133 21.132 3.300 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 133 21.323 2.227 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 133 21.844 1.682 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 133 19.359 2.857 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 133 19.958 1.211 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 133 18.269 1.463 -5.411 1.00 0.00 H new ATOM 2035 N VAL A 134 22.970 -1.279 -3.929 1.00 0.00 N ATOM 2036 CA VAL A 134 24.268 -1.481 -3.307 1.00 0.00 C ATOM 2037 C VAL A 134 25.260 -0.459 -3.864 1.00 0.00 C ATOM 2038 O VAL A 134 26.443 -0.490 -3.527 1.00 0.00 O ATOM 2039 CB VAL A 134 24.723 -2.928 -3.507 1.00 0.00 C ATOM 2040 CG1 VAL A 134 25.157 -3.172 -4.955 1.00 0.00 C ATOM 2041 CG2 VAL A 134 25.846 -3.289 -2.532 1.00 0.00 C ATOM 0 H VAL A 134 22.950 -1.441 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 134 24.206 -1.319 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 134 23.873 -3.578 -3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 134 25.476 -4.208 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 134 24.320 -2.974 -5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 134 25.985 -2.508 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 134 26.151 -4.323 -2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 134 26.698 -2.629 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 134 25.490 -3.173 -1.508 1.00 0.00 H new ATOM 2051 N ILE A 135 24.743 0.423 -4.706 1.00 0.00 N ATOM 2052 CA ILE A 135 25.570 1.453 -5.312 1.00 0.00 C ATOM 2053 C ILE A 135 25.263 2.799 -4.654 1.00 0.00 C ATOM 2054 O ILE A 135 26.073 3.724 -4.718 1.00 0.00 O ATOM 2055 CB ILE A 135 25.392 1.457 -6.832 1.00 0.00 C ATOM 2056 CG1 ILE A 135 23.926 1.244 -7.213 1.00 0.00 C ATOM 2057 CG2 ILE A 135 26.311 0.428 -7.494 1.00 0.00 C ATOM 2058 CD1 ILE A 135 23.591 -0.247 -7.293 1.00 0.00 C ATOM 0 H ILE A 135 23.762 0.446 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 135 26.626 1.246 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 135 25.683 2.438 -7.207 1.00 0.00 H new ATOM 0 HG12 ILE A 135 23.282 1.726 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 135 23.724 1.718 -8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 135 26.165 0.451 -8.574 1.00 0.00 H new ATOM 0 HG22 ILE A 135 27.349 0.666 -7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 135 26.074 -0.567 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 135 22.543 -0.370 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 135 24.220 -0.721 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 135 23.771 -0.713 -6.324 1.00 0.00 H new ATOM 2070 N GLY A 136 24.095 2.868 -4.034 1.00 0.00 N ATOM 2071 CA GLY A 136 23.672 4.086 -3.365 1.00 0.00 C ATOM 2072 C GLY A 136 23.187 5.127 -4.375 1.00 0.00 C ATOM 2073 O GLY A 136 23.209 6.324 -4.096 1.00 0.00 O ATOM 0 H GLY A 136 23.427 2.099 -3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 136 22.873 3.859 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 136 24.501 4.494 -2.787 1.00 0.00 H new ATOM 2077 N GLU A 137 22.761 4.632 -5.528 1.00 0.00 N ATOM 2078 CA GLU A 137 22.271 5.506 -6.581 1.00 0.00 C ATOM 2079 C GLU A 137 20.889 5.046 -7.051 1.00 0.00 C ATOM 2080 O GLU A 137 20.581 3.858 -7.014 1.00 0.00 O ATOM 2081 CB GLU A 137 23.257 5.561 -7.749 1.00 0.00 C ATOM 2082 CG GLU A 137 23.806 6.977 -7.937 1.00 0.00 C ATOM 2083 CD GLU A 137 25.225 6.944 -8.511 1.00 0.00 C ATOM 2084 OE1 GLU A 137 25.978 6.030 -8.108 1.00 0.00 O ATOM 2085 OE2 GLU A 137 25.522 7.831 -9.338 1.00 0.00 O ATOM 0 H GLU A 137 22.745 3.638 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 137 22.179 6.514 -6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 137 24.080 4.869 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 137 22.762 5.235 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 137 23.153 7.538 -8.605 1.00 0.00 H new ATOM 0 HG3 GLU A 137 23.809 7.500 -6.980 1.00 0.00 H new ATOM 2092 N VAL A 138 20.094 6.015 -7.482 1.00 0.00 N ATOM 2093 CA VAL A 138 18.753 5.725 -7.960 1.00 0.00 C ATOM 2094 C VAL A 138 18.840 4.874 -9.228 1.00 0.00 C ATOM 2095 O VAL A 138 19.235 5.366 -10.284 1.00 0.00 O ATOM 2096 CB VAL A 138 17.977 7.029 -8.166 1.00 0.00 C ATOM 2097 CG1 VAL A 138 17.996 7.883 -6.897 1.00 0.00 C ATOM 2098 CG2 VAL A 138 18.527 7.809 -9.361 1.00 0.00 C ATOM 0 H VAL A 138 20.353 7.001 -7.510 1.00 0.00 H new ATOM 0 HA VAL A 138 18.200 5.147 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 138 16.940 6.773 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 138 17.438 8.803 -7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 138 17.537 7.329 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 138 19.026 8.126 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 138 17.959 8.731 -9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 138 19.576 8.050 -9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 138 18.439 7.203 -10.263 1.00 0.00 H new ATOM 2108 N LEU A 139 18.464 3.613 -9.083 1.00 0.00 N ATOM 2109 CA LEU A 139 18.494 2.689 -10.204 1.00 0.00 C ATOM 2110 C LEU A 139 17.890 1.351 -9.774 1.00 0.00 C ATOM 2111 O LEU A 139 16.880 0.915 -10.326 1.00 0.00 O ATOM 2112 CB LEU A 139 19.914 2.571 -10.763 1.00 0.00 C ATOM 2113 CG LEU A 139 20.051 2.711 -12.280 1.00 0.00 C ATOM 2114 CD1 LEU A 139 21.500 3.003 -12.675 1.00 0.00 C ATOM 2115 CD2 LEU A 139 19.500 1.476 -12.997 1.00 0.00 C ATOM 0 H LEU A 139 18.137 3.209 -8.206 1.00 0.00 H new ATOM 0 HA LEU A 139 17.883 3.066 -11.024 1.00 0.00 H new ATOM 0 HB2 LEU A 139 20.534 3.333 -10.290 1.00 0.00 H new ATOM 0 HB3 LEU A 139 20.320 1.603 -10.469 1.00 0.00 H new ATOM 0 HG LEU A 139 19.452 3.563 -12.599 1.00 0.00 H new ATOM 0 HD11 LEU A 139 21.570 3.098 -13.759 1.00 0.00 H new ATOM 0 HD12 LEU A 139 21.824 3.933 -12.208 1.00 0.00 H new ATOM 0 HD13 LEU A 139 22.140 2.187 -12.340 1.00 0.00 H new ATOM 0 HD21 LEU A 139 19.610 1.602 -14.074 1.00 0.00 H new ATOM 0 HD22 LEU A 139 20.052 0.593 -12.677 1.00 0.00 H new ATOM 0 HD23 LEU A 139 18.445 1.353 -12.752 1.00 0.00 H new ATOM 2127 N ALA A 140 18.532 0.736 -8.792 1.00 0.00 N ATOM 2128 CA ALA A 140 18.071 -0.544 -8.281 1.00 0.00 C ATOM 2129 C ALA A 140 16.841 -0.322 -7.397 1.00 0.00 C ATOM 2130 O ALA A 140 16.558 0.805 -6.995 1.00 0.00 O ATOM 2131 CB ALA A 140 19.210 -1.236 -7.531 1.00 0.00 C ATOM 0 H ALA A 140 19.368 1.101 -8.336 1.00 0.00 H new ATOM 0 HA ALA A 140 17.775 -1.200 -9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 140 18.863 -2.196 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 140 20.048 -1.397 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 140 19.532 -0.609 -6.700 1.00 0.00 H new ATOM 2137 N GLU A 141 16.146 -1.414 -7.122 1.00 0.00 N ATOM 2138 CA GLU A 141 14.953 -1.353 -6.293 1.00 0.00 C ATOM 2139 C GLU A 141 15.330 -1.039 -4.844 1.00 0.00 C ATOM 2140 O GLU A 141 15.541 -1.948 -4.043 1.00 0.00 O ATOM 2141 CB GLU A 141 14.157 -2.657 -6.383 1.00 0.00 C ATOM 2142 CG GLU A 141 12.995 -2.523 -7.369 1.00 0.00 C ATOM 2143 CD GLU A 141 12.612 -3.884 -7.955 1.00 0.00 C ATOM 2144 OE1 GLU A 141 12.187 -4.745 -7.156 1.00 0.00 O ATOM 2145 OE2 GLU A 141 12.756 -4.031 -9.187 1.00 0.00 O ATOM 0 H GLU A 141 16.385 -2.347 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 141 14.316 -0.550 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 141 14.814 -3.467 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 141 13.774 -2.922 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 141 12.134 -2.085 -6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 141 13.273 -1.842 -8.173 1.00 0.00 H new ATOM 2152 N VAL A 142 15.403 0.251 -4.552 1.00 0.00 N ATOM 2153 CA VAL A 142 15.751 0.697 -3.213 1.00 0.00 C ATOM 2154 C VAL A 142 15.066 -0.208 -2.186 1.00 0.00 C ATOM 2155 O VAL A 142 15.670 -0.575 -1.179 1.00 0.00 O ATOM 2156 CB VAL A 142 15.389 2.174 -3.044 1.00 0.00 C ATOM 2157 CG1 VAL A 142 15.546 2.612 -1.586 1.00 0.00 C ATOM 2158 CG2 VAL A 142 16.229 3.053 -3.972 1.00 0.00 C ATOM 0 H VAL A 142 15.227 1.002 -5.219 1.00 0.00 H new ATOM 0 HA VAL A 142 16.826 0.619 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 142 14.342 2.297 -3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 142 15.283 3.666 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 142 14.888 2.016 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 142 16.580 2.467 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 142 15.952 4.098 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 142 17.286 2.923 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 142 16.048 2.765 -5.008 1.00 0.00 H new