USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 243 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 107 LYS NZ :NH3+ 151:sc= 0.226 (180deg=0) USER MOD Set 1.2: A 108 HIS : no HE2:sc= 0.00948 K(o=0.24,f=-0.53) USER MOD Set 2.1: A 69 ASN : amide:sc= -2.55 K(o=-3,f=-6.3!) USER MOD Set 2.2: A 71 ASN : amide:sc= -0.492 K(o=-3,f=-8.8) USER MOD Set 3.1: A 18 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 22 TYR OH : rot 141:sc= 0.234 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= -3.44! (180deg=-7.29!) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc=-0.000832 (180deg=-0.219) USER MOD Single : A 17 ASN : amide:sc= -0.507 K(o=-0.51,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -83:sc= 0.648 USER MOD Single : A 25 ASN : amide:sc= -0.094 K(o=-0.094,f=-1) USER MOD Single : A 32 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-3.9!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -29:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot 162:sc= 1.21 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -37:sc= 0.0642! USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 0.0927 (180deg=-0.64) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -4.7! K(o=-4.7!,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.3!) USER MOD Single : A 85 ASN : amide:sc= -0.049 X(o=-0.049,f=-0.2) USER MOD Single : A 86 LYS NZ :NH3+ 142:sc= -0.557 (180deg=-2.62!) USER MOD Single : A 90 THR OG1 : rot -65:sc= 0.306 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.09! C(o=-3.1!,f=-6.6!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A 99 THR OG1 : rot 43:sc= 0.0945 USER MOD Single : A 100 SER OG : rot 52:sc= 0.222 USER MOD Single : A 103 MET CE :methyl -143:sc= -1 (180deg=-3.02!) USER MOD Single : A 104 THR OG1 : rot 56:sc= 0.101 USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0404) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 4 1.418 -12.000 -7.604 1.00 0.00 N ATOM 26 CA GLU A 4 1.930 -10.837 -8.373 1.00 0.00 C ATOM 27 C GLU A 4 1.317 -10.700 -9.784 1.00 0.00 C ATOM 28 O GLU A 4 1.846 -11.183 -10.783 1.00 0.00 O ATOM 29 CB GLU A 4 3.466 -10.790 -8.467 1.00 0.00 C ATOM 30 CG GLU A 4 4.127 -9.848 -7.453 1.00 0.00 C ATOM 31 CD GLU A 4 4.498 -10.508 -6.121 1.00 0.00 C ATOM 32 OE1 GLU A 4 5.102 -11.601 -6.155 1.00 0.00 O ATOM 33 OE2 GLU A 4 4.223 -9.861 -5.087 1.00 0.00 O ATOM 0 HA GLU A 4 1.600 -9.981 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.859 -11.796 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.748 -10.479 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.028 -9.429 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.452 -9.015 -7.256 1.00 0.00 H new ATOM 35 N GLN A 5 0.169 -10.029 -9.806 1.00 0.00 N ATOM 36 CA GLN A 5 -0.633 -9.738 -11.014 1.00 0.00 C ATOM 37 C GLN A 5 -1.812 -8.812 -10.692 1.00 0.00 C ATOM 38 O GLN A 5 -2.668 -9.151 -9.880 1.00 0.00 O ATOM 39 CB GLN A 5 -1.133 -10.977 -11.783 1.00 0.00 C ATOM 40 CG GLN A 5 -1.828 -12.046 -10.931 1.00 0.00 C ATOM 41 CD GLN A 5 -2.688 -12.958 -11.809 1.00 0.00 C ATOM 42 OE1 GLN A 5 -3.903 -12.851 -11.865 1.00 0.00 O ATOM 43 NE2 GLN A 5 -2.072 -13.891 -12.502 1.00 0.00 N ATOM 0 H GLN A 5 -0.253 -9.654 -8.956 1.00 0.00 H new ATOM 0 HA GLN A 5 0.065 -9.235 -11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.826 -10.647 -12.557 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.284 -11.436 -12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.082 -12.639 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.450 -11.568 -10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.057 -13.977 -12.452 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.609 -14.529 -13.089 1.00 0.00 H new ATOM 47 N PHE A 6 -1.583 -7.552 -11.044 1.00 0.00 N ATOM 48 CA PHE A 6 -2.521 -6.417 -10.906 1.00 0.00 C ATOM 49 C PHE A 6 -2.840 -6.100 -9.438 1.00 0.00 C ATOM 50 O PHE A 6 -3.777 -6.609 -8.824 1.00 0.00 O ATOM 51 CB PHE A 6 -3.811 -6.627 -11.714 1.00 0.00 C ATOM 52 CG PHE A 6 -3.583 -6.678 -13.225 1.00 0.00 C ATOM 53 CD1 PHE A 6 -3.693 -5.515 -13.979 1.00 0.00 C ATOM 54 CD2 PHE A 6 -3.434 -7.906 -13.857 1.00 0.00 C ATOM 55 CE1 PHE A 6 -3.681 -5.584 -15.367 1.00 0.00 C ATOM 56 CE2 PHE A 6 -3.415 -7.974 -15.245 1.00 0.00 C ATOM 57 CZ PHE A 6 -3.550 -6.814 -15.999 1.00 0.00 C ATOM 0 H PHE A 6 -0.694 -7.268 -11.456 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.008 -5.551 -11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.283 -7.556 -11.394 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.508 -5.820 -11.487 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.788 -4.559 -13.486 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.333 -8.807 -13.270 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.773 -4.682 -15.954 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.295 -8.928 -15.738 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.553 -6.869 -17.078 1.00 0.00 H new ATOM 64 N GLU A 7 -2.006 -5.232 -8.881 1.00 0.00 N ATOM 65 CA GLU A 7 -2.132 -4.802 -7.478 1.00 0.00 C ATOM 66 C GLU A 7 -2.725 -3.392 -7.389 1.00 0.00 C ATOM 67 O GLU A 7 -2.010 -2.393 -7.421 1.00 0.00 O ATOM 68 CB GLU A 7 -0.765 -4.918 -6.802 1.00 0.00 C ATOM 69 CG GLU A 7 -0.480 -6.371 -6.417 1.00 0.00 C ATOM 70 CD GLU A 7 1.005 -6.611 -6.140 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.475 -6.158 -5.073 1.00 0.00 O ATOM 72 OE2 GLU A 7 1.601 -7.361 -6.944 1.00 0.00 O ATOM 0 H GLU A 7 -1.225 -4.803 -9.378 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.828 -5.451 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.012 -4.555 -7.475 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.738 -4.288 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.060 -6.632 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.810 -7.030 -7.220 1.00 0.00 H new ATOM 74 N LEU A 8 -4.055 -3.372 -7.364 1.00 0.00 N ATOM 75 CA LEU A 8 -4.858 -2.135 -7.336 1.00 0.00 C ATOM 76 C LEU A 8 -5.281 -1.799 -5.899 1.00 0.00 C ATOM 77 O LEU A 8 -6.053 -2.518 -5.266 1.00 0.00 O ATOM 78 CB LEU A 8 -6.109 -2.220 -8.223 1.00 0.00 C ATOM 79 CG LEU A 8 -5.814 -2.433 -9.713 1.00 0.00 C ATOM 80 CD1 LEU A 8 -5.802 -3.922 -10.063 1.00 0.00 C ATOM 81 CD2 LEU A 8 -6.840 -1.686 -10.565 1.00 0.00 C ATOM 0 H LEU A 8 -4.620 -4.221 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.220 -1.346 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.736 -3.038 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.686 -1.302 -8.106 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.823 -2.033 -9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.591 -4.044 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.032 -4.427 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.775 -4.357 -9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.621 -1.844 -11.621 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.839 -2.060 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.793 -0.620 -10.341 1.00 0.00 H new ATOM 83 N PHE A 9 -4.630 -0.772 -5.382 1.00 0.00 N ATOM 84 CA PHE A 9 -4.859 -0.286 -4.006 1.00 0.00 C ATOM 85 C PHE A 9 -5.438 1.139 -4.028 1.00 0.00 C ATOM 86 O PHE A 9 -5.114 1.936 -4.901 1.00 0.00 O ATOM 87 CB PHE A 9 -3.539 -0.326 -3.226 1.00 0.00 C ATOM 88 CG PHE A 9 -2.930 -1.735 -3.188 1.00 0.00 C ATOM 89 CD1 PHE A 9 -3.440 -2.682 -2.308 1.00 0.00 C ATOM 90 CD2 PHE A 9 -1.790 -2.025 -3.928 1.00 0.00 C ATOM 91 CE1 PHE A 9 -2.778 -3.885 -2.110 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.146 -3.244 -3.753 1.00 0.00 C ATOM 93 CZ PHE A 9 -1.635 -4.173 -2.845 1.00 0.00 C ATOM 0 H PHE A 9 -3.924 -0.242 -5.893 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.583 -0.933 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.828 0.363 -3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.710 0.021 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.357 -2.480 -1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.406 -1.306 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.150 -4.595 -1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.260 -3.470 -4.327 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.128 -5.117 -2.710 1.00 0.00 H new ATOM 100 N SER A 10 -6.383 1.400 -3.139 1.00 0.00 N ATOM 101 CA SER A 10 -6.994 2.748 -3.034 1.00 0.00 C ATOM 102 C SER A 10 -6.945 3.257 -1.589 1.00 0.00 C ATOM 103 O SER A 10 -7.379 2.559 -0.673 1.00 0.00 O ATOM 104 CB SER A 10 -8.452 2.732 -3.506 1.00 0.00 C ATOM 105 OG SER A 10 -8.561 2.104 -4.789 1.00 0.00 O ATOM 0 H SER A 10 -6.752 0.715 -2.479 1.00 0.00 H new ATOM 0 HA SER A 10 -6.417 3.415 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.068 2.200 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.833 3.752 -3.561 1.00 0.00 H new ATOM 0 HG SER A 10 -9.499 2.101 -5.073 1.00 0.00 H new ATOM 108 N ILE A 11 -6.318 4.417 -1.400 1.00 0.00 N ATOM 109 CA ILE A 11 -6.244 5.053 -0.059 1.00 0.00 C ATOM 110 C ILE A 11 -7.623 5.550 0.431 1.00 0.00 C ATOM 111 O ILE A 11 -8.599 5.563 -0.312 1.00 0.00 O ATOM 112 CB ILE A 11 -5.138 6.135 -0.015 1.00 0.00 C ATOM 113 CG1 ILE A 11 -4.502 6.177 1.387 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.617 7.524 -0.463 1.00 0.00 C ATOM 115 CD1 ILE A 11 -3.189 6.967 1.491 1.00 0.00 C ATOM 0 H ILE A 11 -5.854 4.942 -2.142 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.950 4.288 0.660 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.380 5.848 -0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.222 6.609 2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.318 5.154 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.789 8.230 -0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.978 7.471 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.424 7.858 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.825 6.934 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.445 6.525 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.364 8.003 1.201 1.00 0.00 H new ATOM 117 N ASP A 12 -7.616 6.042 1.664 1.00 0.00 N ATOM 118 CA ASP A 12 -8.739 6.751 2.314 1.00 0.00 C ATOM 119 C ASP A 12 -8.993 8.227 1.939 1.00 0.00 C ATOM 120 O ASP A 12 -10.111 8.700 2.100 1.00 0.00 O ATOM 121 CB ASP A 12 -8.682 6.551 3.839 1.00 0.00 C ATOM 122 CG ASP A 12 -7.313 6.873 4.443 1.00 0.00 C ATOM 123 OD1 ASP A 12 -6.416 6.013 4.289 1.00 0.00 O ATOM 124 OD2 ASP A 12 -7.129 8.031 4.873 1.00 0.00 O ATOM 0 H ASP A 12 -6.801 5.961 2.272 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.618 6.269 1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.436 7.182 4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.940 5.518 4.073 1.00 0.00 H new ATOM 126 N LYS A 13 -7.962 8.924 1.443 1.00 0.00 N ATOM 127 CA LYS A 13 -7.946 10.392 1.201 1.00 0.00 C ATOM 128 C LYS A 13 -8.422 11.237 2.401 1.00 0.00 C ATOM 129 O LYS A 13 -9.184 12.198 2.289 1.00 0.00 O ATOM 130 CB LYS A 13 -8.711 10.795 -0.065 1.00 0.00 C ATOM 131 CG LYS A 13 -7.840 11.481 -1.118 1.00 0.00 C ATOM 132 CD LYS A 13 -8.729 12.304 -2.054 1.00 0.00 C ATOM 133 CE LYS A 13 -7.973 12.913 -3.237 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.829 11.950 -4.338 1.00 0.00 N ATOM 0 H LYS A 13 -7.082 8.476 1.187 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.890 10.619 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.163 9.906 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.526 11.464 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.106 12.126 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.284 10.736 -1.688 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.530 11.669 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.200 13.104 -1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.503 13.797 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.987 13.243 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.827 11.880 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.171 11.017 -4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.387 12.271 -5.155 1.00 0.00 H new ATOM 139 N PHE A 14 -7.906 10.853 3.561 1.00 0.00 N ATOM 140 CA PHE A 14 -8.187 11.538 4.830 1.00 0.00 C ATOM 141 C PHE A 14 -6.906 12.195 5.370 1.00 0.00 C ATOM 142 O PHE A 14 -6.310 13.024 4.686 1.00 0.00 O ATOM 143 CB PHE A 14 -8.845 10.536 5.793 1.00 0.00 C ATOM 144 CG PHE A 14 -10.354 10.737 5.881 1.00 0.00 C ATOM 145 CD1 PHE A 14 -10.863 11.957 6.313 1.00 0.00 C ATOM 146 CD2 PHE A 14 -11.208 9.664 5.661 1.00 0.00 C ATOM 147 CE1 PHE A 14 -12.226 12.105 6.531 1.00 0.00 C ATOM 148 CE2 PHE A 14 -12.569 9.813 5.884 1.00 0.00 C ATOM 149 CZ PHE A 14 -13.080 11.031 6.318 1.00 0.00 C ATOM 0 H PHE A 14 -7.277 10.055 3.656 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.894 12.357 4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.633 9.520 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.406 10.644 6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.197 12.791 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -10.814 8.719 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.621 13.053 6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.235 8.979 5.720 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.141 11.142 6.489 1.00 0.00 H new ATOM 156 N LYS A 15 -6.416 11.696 6.503 1.00 0.00 N ATOM 157 CA LYS A 15 -5.189 12.168 7.169 1.00 0.00 C ATOM 158 C LYS A 15 -4.887 11.247 8.360 1.00 0.00 C ATOM 159 O LYS A 15 -5.095 11.589 9.523 1.00 0.00 O ATOM 160 CB LYS A 15 -5.370 13.625 7.631 1.00 0.00 C ATOM 161 CG LYS A 15 -4.157 14.488 7.281 1.00 0.00 C ATOM 162 CD LYS A 15 -2.915 14.166 8.123 1.00 0.00 C ATOM 163 CE LYS A 15 -1.660 13.988 7.262 1.00 0.00 C ATOM 164 NZ LYS A 15 -1.401 15.150 6.396 1.00 0.00 N ATOM 0 H LYS A 15 -6.869 10.931 7.002 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.350 12.138 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.261 14.046 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.533 13.647 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.917 14.353 6.226 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.416 15.538 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.749 14.968 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.093 13.256 8.695 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.799 13.823 7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.770 13.096 6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.401 15.155 6.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.001 15.092 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.618 16.025 6.915 1.00 0.00 H new ATOM 169 N CYS A 16 -4.359 10.070 8.038 1.00 0.00 N ATOM 170 CA CYS A 16 -3.969 9.084 9.066 1.00 0.00 C ATOM 171 C CYS A 16 -2.651 9.393 9.803 1.00 0.00 C ATOM 172 O CYS A 16 -2.266 8.624 10.678 1.00 0.00 O ATOM 173 CB CYS A 16 -3.955 7.679 8.457 1.00 0.00 C ATOM 174 SG CYS A 16 -5.297 6.649 9.154 1.00 0.00 S ATOM 0 H CYS A 16 -4.188 9.767 7.079 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.729 9.146 9.845 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.068 7.747 7.375 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.992 7.206 8.648 1.00 0.00 H new ATOM 176 N ASN A 17 -2.181 10.639 9.654 1.00 0.00 N ATOM 177 CA ASN A 17 -0.888 11.171 10.151 1.00 0.00 C ATOM 178 C ASN A 17 0.323 10.460 9.506 1.00 0.00 C ATOM 179 O ASN A 17 0.157 9.466 8.804 1.00 0.00 O ATOM 180 CB ASN A 17 -0.866 11.133 11.691 1.00 0.00 C ATOM 181 CG ASN A 17 0.311 11.874 12.329 1.00 0.00 C ATOM 182 OD1 ASN A 17 1.415 11.370 12.475 1.00 0.00 O ATOM 183 ND2 ASN A 17 0.111 13.128 12.663 1.00 0.00 N ATOM 0 H ASN A 17 -2.717 11.349 9.156 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.797 12.213 9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.795 11.563 12.065 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.843 10.093 12.016 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.877 13.683 13.045 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.811 13.548 12.541 1.00 0.00 H new ATOM 187 N SER A 18 1.499 11.084 9.616 1.00 0.00 N ATOM 188 CA SER A 18 2.799 10.615 9.074 1.00 0.00 C ATOM 189 C SER A 18 2.787 10.445 7.545 1.00 0.00 C ATOM 190 O SER A 18 3.144 11.370 6.815 1.00 0.00 O ATOM 191 CB SER A 18 3.306 9.366 9.823 1.00 0.00 C ATOM 192 OG SER A 18 4.476 8.816 9.205 1.00 0.00 O ATOM 0 H SER A 18 1.586 11.974 10.107 1.00 0.00 H new ATOM 0 HA SER A 18 3.525 11.406 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.530 9.628 10.857 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.519 8.612 9.848 1.00 0.00 H new ATOM 0 HG SER A 18 4.678 7.944 9.605 1.00 0.00 H new ATOM 195 N GLU A 19 2.327 9.285 7.081 1.00 0.00 N ATOM 196 CA GLU A 19 2.132 8.984 5.654 1.00 0.00 C ATOM 197 C GLU A 19 1.107 9.950 5.031 1.00 0.00 C ATOM 198 O GLU A 19 0.018 10.152 5.568 1.00 0.00 O ATOM 199 CB GLU A 19 1.734 7.507 5.515 1.00 0.00 C ATOM 200 CG GLU A 19 0.282 7.124 5.839 1.00 0.00 C ATOM 201 CD GLU A 19 -0.745 7.396 4.725 1.00 0.00 C ATOM 202 OE1 GLU A 19 -0.356 7.859 3.628 1.00 0.00 O ATOM 203 OE2 GLU A 19 -1.928 7.072 4.969 1.00 0.00 O ATOM 0 H GLU A 19 2.073 8.510 7.693 1.00 0.00 H new ATOM 0 HA GLU A 19 3.058 9.136 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.941 7.199 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.387 6.922 6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.252 6.062 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.027 7.666 6.733 1.00 0.00 H new ATOM 205 N ALA A 20 1.495 10.479 3.873 1.00 0.00 N ATOM 206 CA ALA A 20 0.702 11.415 3.039 1.00 0.00 C ATOM 207 C ALA A 20 1.499 11.854 1.797 1.00 0.00 C ATOM 208 O ALA A 20 1.493 11.140 0.800 1.00 0.00 O ATOM 209 CB ALA A 20 0.160 12.633 3.815 1.00 0.00 C ATOM 0 H ALA A 20 2.404 10.267 3.463 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.177 10.858 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.409 13.271 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.488 12.291 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.993 13.198 4.233 1.00 0.00 H new ATOM 211 N LYS A 21 2.354 12.868 1.943 1.00 0.00 N ATOM 212 CA LYS A 21 3.149 13.441 0.835 1.00 0.00 C ATOM 213 C LYS A 21 4.115 12.472 0.141 1.00 0.00 C ATOM 214 O LYS A 21 3.844 12.053 -0.978 1.00 0.00 O ATOM 215 CB LYS A 21 3.814 14.745 1.273 1.00 0.00 C ATOM 216 CG LYS A 21 2.813 15.864 0.991 1.00 0.00 C ATOM 217 CD LYS A 21 2.678 16.857 2.142 1.00 0.00 C ATOM 218 CE LYS A 21 1.453 17.726 1.861 1.00 0.00 C ATOM 219 NZ LYS A 21 1.241 18.731 2.907 1.00 0.00 N ATOM 0 H LYS A 21 2.522 13.325 2.839 1.00 0.00 H new ATOM 0 HA LYS A 21 2.434 13.665 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.070 14.712 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.742 14.909 0.726 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.120 16.399 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.837 15.425 0.782 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.565 16.331 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.574 17.473 2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.575 18.224 0.899 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.569 17.093 1.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.400 19.299 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.099 18.256 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.073 19.352 2.965 1.00 0.00 H new ATOM 224 N TYR A 22 5.182 12.084 0.839 1.00 0.00 N ATOM 225 CA TYR A 22 6.128 11.043 0.376 1.00 0.00 C ATOM 226 C TYR A 22 5.439 9.715 -0.012 1.00 0.00 C ATOM 227 O TYR A 22 5.818 9.080 -0.988 1.00 0.00 O ATOM 228 CB TYR A 22 7.213 10.822 1.439 1.00 0.00 C ATOM 229 CG TYR A 22 6.743 10.082 2.698 1.00 0.00 C ATOM 230 CD1 TYR A 22 5.736 10.584 3.518 1.00 0.00 C ATOM 231 CD2 TYR A 22 7.304 8.847 2.981 1.00 0.00 C ATOM 232 CE1 TYR A 22 5.302 9.855 4.613 1.00 0.00 C ATOM 233 CE2 TYR A 22 6.849 8.105 4.062 1.00 0.00 C ATOM 234 CZ TYR A 22 5.854 8.612 4.888 1.00 0.00 C ATOM 235 OH TYR A 22 5.375 7.887 5.929 1.00 0.00 O ATOM 0 H TYR A 22 5.425 12.479 1.748 1.00 0.00 H new ATOM 0 HA TYR A 22 6.588 11.409 -0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.032 10.260 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 22 7.615 11.791 1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.292 11.544 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.098 8.461 2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.531 10.255 5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.270 7.131 4.262 1.00 0.00 H new ATOM 0 HH TYR A 22 5.341 6.940 5.680 1.00 0.00 H new ATOM 242 N TYR A 23 4.316 9.439 0.648 1.00 0.00 N ATOM 243 CA TYR A 23 3.420 8.327 0.288 1.00 0.00 C ATOM 244 C TYR A 23 2.888 8.485 -1.147 1.00 0.00 C ATOM 245 O TYR A 23 3.450 7.887 -2.049 1.00 0.00 O ATOM 246 CB TYR A 23 2.285 8.170 1.297 1.00 0.00 C ATOM 247 CG TYR A 23 2.463 6.897 2.116 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.657 6.642 2.782 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.398 6.012 2.207 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.775 5.502 3.556 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.512 4.870 2.981 1.00 0.00 C ATOM 252 CZ TYR A 23 2.707 4.623 3.640 1.00 0.00 C ATOM 253 OH TYR A 23 2.851 3.483 4.334 1.00 0.00 O ATOM 0 H TYR A 23 3.995 9.979 1.452 1.00 0.00 H new ATOM 0 HA TYR A 23 4.005 7.408 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.260 9.034 1.961 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.329 8.141 0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.486 7.329 2.695 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.481 6.214 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.691 5.299 4.090 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.684 4.183 3.070 1.00 0.00 H new ATOM 0 HH TYR A 23 3.275 2.806 3.766 1.00 0.00 H new ATOM 260 N LEU A 24 2.014 9.460 -1.365 1.00 0.00 N ATOM 261 CA LEU A 24 1.456 9.712 -2.711 1.00 0.00 C ATOM 262 C LEU A 24 2.543 9.971 -3.784 1.00 0.00 C ATOM 263 O LEU A 24 2.645 9.179 -4.706 1.00 0.00 O ATOM 264 CB LEU A 24 0.333 10.757 -2.672 1.00 0.00 C ATOM 265 CG LEU A 24 0.707 12.169 -2.197 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.119 13.062 -3.369 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.466 12.785 -1.437 1.00 0.00 C ATOM 0 H LEU A 24 1.671 10.091 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 24 0.983 8.788 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.089 10.838 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.457 10.380 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 24 1.565 12.091 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.377 14.054 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.983 12.627 -3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.291 13.143 -4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.197 13.787 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.334 12.843 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.705 12.165 -0.573 1.00 0.00 H new ATOM 269 N ASN A 25 3.544 10.773 -3.442 1.00 0.00 N ATOM 270 CA ASN A 25 4.669 11.068 -4.361 1.00 0.00 C ATOM 271 C ASN A 25 5.578 9.887 -4.771 1.00 0.00 C ATOM 272 O ASN A 25 6.344 10.020 -5.720 1.00 0.00 O ATOM 273 CB ASN A 25 5.481 12.263 -3.861 1.00 0.00 C ATOM 274 CG ASN A 25 4.839 13.583 -4.311 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.275 13.723 -5.385 1.00 0.00 O ATOM 276 ND2 ASN A 25 4.943 14.610 -3.502 1.00 0.00 N ATOM 0 H ASN A 25 3.612 11.238 -2.537 1.00 0.00 H new ATOM 0 HA ASN A 25 4.173 11.318 -5.299 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.544 12.236 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.501 12.201 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.555 15.514 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.412 14.505 -2.602 1.00 0.00 H new ATOM 280 N ILE A 26 5.579 8.816 -3.981 1.00 0.00 N ATOM 281 CA ILE A 26 6.335 7.585 -4.324 1.00 0.00 C ATOM 282 C ILE A 26 5.437 6.349 -4.613 1.00 0.00 C ATOM 283 O ILE A 26 5.886 5.410 -5.265 1.00 0.00 O ATOM 284 CB ILE A 26 7.503 7.398 -3.319 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.577 8.487 -3.491 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.229 6.049 -3.407 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.375 9.754 -2.654 1.00 0.00 C ATOM 0 H ILE A 26 5.070 8.762 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 26 6.806 7.707 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 26 7.007 7.459 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.547 8.058 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.616 8.770 -4.543 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.027 6.016 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.522 5.242 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.654 5.929 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.187 10.454 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.424 10.217 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.370 9.494 -1.596 1.00 0.00 H new ATOM 289 N ILE A 27 4.169 6.358 -4.187 1.00 0.00 N ATOM 290 CA ILE A 27 3.227 5.241 -4.453 1.00 0.00 C ATOM 291 C ILE A 27 1.992 5.533 -5.335 1.00 0.00 C ATOM 292 O ILE A 27 1.406 4.594 -5.872 1.00 0.00 O ATOM 293 CB ILE A 27 2.833 4.532 -3.143 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.575 3.035 -3.417 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.805 5.303 -2.288 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.211 2.413 -3.095 1.00 0.00 C ATOM 0 H ILE A 27 3.761 7.126 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 27 3.810 4.574 -5.089 1.00 0.00 H new ATOM 0 HB ILE A 27 3.676 4.547 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.766 2.863 -4.476 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.325 2.472 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.583 4.734 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.216 6.275 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.889 5.445 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.223 1.355 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.004 2.522 -2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.435 2.920 -3.669 1.00 0.00 H new ATOM 298 N GLU A 28 1.539 6.789 -5.383 1.00 0.00 N ATOM 299 CA GLU A 28 0.329 7.201 -6.130 1.00 0.00 C ATOM 300 C GLU A 28 0.558 7.065 -7.638 1.00 0.00 C ATOM 301 O GLU A 28 1.082 7.950 -8.313 1.00 0.00 O ATOM 302 CB GLU A 28 -0.112 8.614 -5.723 1.00 0.00 C ATOM 303 CG GLU A 28 -1.495 9.054 -6.208 1.00 0.00 C ATOM 304 CD GLU A 28 -1.548 9.412 -7.695 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.918 10.428 -8.058 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.328 8.738 -8.400 1.00 0.00 O ATOM 0 H GLU A 28 2.000 7.562 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.492 6.533 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.093 8.679 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.625 9.325 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.209 8.254 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.815 9.918 -5.625 1.00 0.00 H new ATOM 308 N GLY A 29 0.130 5.891 -8.094 1.00 0.00 N ATOM 309 CA GLY A 29 0.326 5.416 -9.467 1.00 0.00 C ATOM 310 C GLY A 29 0.867 3.983 -9.415 1.00 0.00 C ATOM 311 O GLY A 29 0.624 3.253 -8.452 1.00 0.00 O ATOM 0 H GLY A 29 -0.375 5.226 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.615 5.445 -10.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.024 6.065 -9.996 1.00 0.00 H new ATOM 313 N GLU A 30 1.654 3.654 -10.429 1.00 0.00 N ATOM 314 CA GLU A 30 2.110 2.276 -10.658 1.00 0.00 C ATOM 315 C GLU A 30 3.641 2.156 -10.686 1.00 0.00 C ATOM 316 O GLU A 30 4.333 2.932 -11.341 1.00 0.00 O ATOM 317 CB GLU A 30 1.469 1.768 -11.953 1.00 0.00 C ATOM 318 CG GLU A 30 1.616 0.255 -12.140 1.00 0.00 C ATOM 319 CD GLU A 30 0.667 -0.257 -13.225 1.00 0.00 C ATOM 320 OE1 GLU A 30 1.018 -0.116 -14.416 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.361 -0.852 -12.831 1.00 0.00 O ATOM 0 H GLU A 30 1.997 4.325 -11.117 1.00 0.00 H new ATOM 0 HA GLU A 30 1.794 1.652 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.410 2.027 -11.954 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.923 2.279 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.645 0.016 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.407 -0.254 -11.199 1.00 0.00 H new ATOM 323 N TRP A 31 4.106 1.260 -9.827 1.00 0.00 N ATOM 324 CA TRP A 31 5.497 0.757 -9.804 1.00 0.00 C ATOM 325 C TRP A 31 5.724 -0.099 -11.057 1.00 0.00 C ATOM 326 O TRP A 31 4.797 -0.777 -11.493 1.00 0.00 O ATOM 327 CB TRP A 31 5.686 -0.125 -8.565 1.00 0.00 C ATOM 328 CG TRP A 31 5.604 0.674 -7.259 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.530 1.303 -6.795 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.688 1.116 -6.519 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.883 2.151 -5.835 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.194 2.065 -5.639 1.00 0.00 C ATOM 333 CE3 TRP A 31 8.022 0.731 -6.458 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.040 2.669 -4.720 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.859 1.308 -5.508 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.377 2.306 -4.670 1.00 0.00 C ATOM 0 H TRP A 31 3.521 0.844 -9.102 1.00 0.00 H new ATOM 0 HA TRP A 31 6.199 1.590 -9.779 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.925 -0.905 -8.559 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.653 -0.624 -8.622 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.520 1.148 -7.146 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.249 2.769 -5.329 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.406 -0.011 -7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.658 3.420 -4.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.884 0.980 -5.422 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.045 2.799 -3.979 1.00 0.00 H new ATOM 344 N HIS A 32 6.941 -0.047 -11.601 1.00 0.00 N ATOM 345 CA HIS A 32 7.382 -0.850 -12.770 1.00 0.00 C ATOM 346 C HIS A 32 6.603 -0.507 -14.067 1.00 0.00 C ATOM 347 O HIS A 32 5.524 0.084 -13.998 1.00 0.00 O ATOM 348 CB HIS A 32 7.292 -2.360 -12.459 1.00 0.00 C ATOM 349 CG HIS A 32 8.084 -2.790 -11.216 1.00 0.00 C ATOM 350 ND1 HIS A 32 7.877 -2.377 -9.967 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.044 -3.714 -11.172 1.00 0.00 C ATOM 352 CE1 HIS A 32 8.697 -3.035 -9.158 1.00 0.00 C ATOM 353 NE2 HIS A 32 9.417 -3.867 -9.905 1.00 0.00 N ATOM 0 H HIS A 32 7.673 0.565 -11.241 1.00 0.00 H new ATOM 0 HA HIS A 32 8.424 -0.588 -12.955 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.245 -2.630 -12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.655 -2.920 -13.320 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.449 -4.247 -12.020 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.767 -2.916 -8.087 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.131 -4.511 -9.565 1.00 0.00 H new ATOM 356 N PRO A 33 7.196 -0.720 -15.255 1.00 0.00 N ATOM 357 CA PRO A 33 6.497 -0.519 -16.542 1.00 0.00 C ATOM 358 C PRO A 33 5.455 -1.631 -16.792 1.00 0.00 C ATOM 359 O PRO A 33 4.763 -2.055 -15.870 1.00 0.00 O ATOM 360 CB PRO A 33 7.629 -0.437 -17.573 1.00 0.00 C ATOM 361 CG PRO A 33 8.698 -1.360 -16.990 1.00 0.00 C ATOM 362 CD PRO A 33 8.613 -1.077 -15.490 1.00 0.00 C ATOM 0 HA PRO A 33 5.892 0.387 -16.583 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.302 -0.771 -18.558 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.996 0.583 -17.688 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.495 -2.407 -17.216 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.687 -1.134 -17.388 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.904 -1.950 -14.905 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.279 -0.264 -15.202 1.00 0.00 H new ATOM 363 N GLN A 34 5.349 -2.104 -18.031 1.00 0.00 N ATOM 364 CA GLN A 34 4.364 -3.145 -18.396 1.00 0.00 C ATOM 365 C GLN A 34 4.881 -4.303 -19.273 1.00 0.00 C ATOM 366 O GLN A 34 4.088 -5.111 -19.755 1.00 0.00 O ATOM 367 CB GLN A 34 3.140 -2.454 -19.012 1.00 0.00 C ATOM 368 CG GLN A 34 3.435 -1.697 -20.311 1.00 0.00 C ATOM 369 CD GLN A 34 2.210 -0.894 -20.747 1.00 0.00 C ATOM 370 OE1 GLN A 34 2.097 0.299 -20.513 1.00 0.00 O ATOM 371 NE2 GLN A 34 1.289 -1.539 -21.426 1.00 0.00 N ATOM 0 H GLN A 34 5.930 -1.789 -18.808 1.00 0.00 H new ATOM 0 HA GLN A 34 4.104 -3.660 -17.471 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.373 -3.204 -19.207 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.726 -1.757 -18.284 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.284 -1.028 -20.166 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.715 -2.401 -21.095 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.398 -2.536 -21.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.465 -1.043 -21.766 1.00 0.00 H new ATOM 375 N ASP A 35 6.189 -4.555 -19.189 1.00 0.00 N ATOM 376 CA ASP A 35 6.897 -5.549 -20.034 1.00 0.00 C ATOM 377 C ASP A 35 6.762 -6.995 -19.494 1.00 0.00 C ATOM 378 O ASP A 35 7.626 -7.845 -19.683 1.00 0.00 O ATOM 379 CB ASP A 35 8.370 -5.118 -20.114 1.00 0.00 C ATOM 380 CG ASP A 35 9.152 -5.666 -21.319 1.00 0.00 C ATOM 381 OD1 ASP A 35 8.626 -6.553 -22.026 1.00 0.00 O ATOM 382 OD2 ASP A 35 10.258 -5.128 -21.534 1.00 0.00 O ATOM 0 H ASP A 35 6.802 -4.076 -18.530 1.00 0.00 H new ATOM 0 HA ASP A 35 6.445 -5.568 -21.026 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.412 -4.029 -20.140 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.874 -5.435 -19.201 1.00 0.00 H new ATOM 384 N LEU A 36 5.614 -7.241 -18.869 1.00 0.00 N ATOM 385 CA LEU A 36 5.278 -8.455 -18.092 1.00 0.00 C ATOM 386 C LEU A 36 3.757 -8.727 -18.157 1.00 0.00 C ATOM 387 O LEU A 36 3.093 -8.919 -17.140 1.00 0.00 O ATOM 388 CB LEU A 36 5.709 -8.223 -16.630 1.00 0.00 C ATOM 389 CG LEU A 36 7.191 -7.893 -16.414 1.00 0.00 C ATOM 390 CD1 LEU A 36 7.361 -7.177 -15.073 1.00 0.00 C ATOM 391 CD2 LEU A 36 8.054 -9.156 -16.445 1.00 0.00 C ATOM 0 H LEU A 36 4.845 -6.571 -18.885 1.00 0.00 H new ATOM 0 HA LEU A 36 5.797 -9.319 -18.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.112 -7.409 -16.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.468 -9.116 -16.054 1.00 0.00 H new ATOM 0 HG LEU A 36 7.521 -7.244 -17.225 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.414 -6.941 -14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.779 -6.255 -15.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.011 -7.824 -14.268 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.099 -8.887 -16.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.733 -9.836 -15.656 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.946 -9.646 -17.412 1.00 0.00 H new ATOM 393 N ASN A 37 3.191 -8.550 -19.358 1.00 0.00 N ATOM 394 CA ASN A 37 1.733 -8.606 -19.651 1.00 0.00 C ATOM 395 C ASN A 37 0.876 -7.495 -19.002 1.00 0.00 C ATOM 396 O ASN A 37 -0.297 -7.349 -19.333 1.00 0.00 O ATOM 397 CB ASN A 37 1.165 -9.989 -19.294 1.00 0.00 C ATOM 398 CG ASN A 37 0.369 -10.607 -20.445 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.850 -10.570 -20.510 1.00 0.00 O ATOM 400 ND2 ASN A 37 1.057 -11.277 -21.344 1.00 0.00 N ATOM 0 H ASN A 37 3.747 -8.356 -20.191 1.00 0.00 H new ATOM 0 HA ASN A 37 1.662 -8.425 -20.724 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.983 -10.656 -19.023 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.522 -9.900 -18.418 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.572 -11.766 -22.096 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.075 -11.307 -21.289 1.00 0.00 H new ATOM 404 N ASP A 38 1.555 -6.593 -18.282 1.00 0.00 N ATOM 405 CA ASP A 38 1.002 -5.486 -17.471 1.00 0.00 C ATOM 406 C ASP A 38 0.200 -6.041 -16.290 1.00 0.00 C ATOM 407 O ASP A 38 -0.815 -6.701 -16.480 1.00 0.00 O ATOM 408 CB ASP A 38 0.175 -4.485 -18.301 1.00 0.00 C ATOM 409 CG ASP A 38 -0.211 -3.206 -17.542 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.395 -2.953 -16.475 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.093 -2.491 -18.065 1.00 0.00 O ATOM 0 H ASP A 38 2.574 -6.613 -18.244 1.00 0.00 H new ATOM 0 HA ASP A 38 1.847 -4.918 -17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.743 -4.210 -19.189 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.734 -4.979 -18.645 1.00 0.00 H new ATOM 413 N SER A 39 0.768 -5.844 -15.103 1.00 0.00 N ATOM 414 CA SER A 39 0.267 -6.380 -13.813 1.00 0.00 C ATOM 415 C SER A 39 1.011 -5.926 -12.523 1.00 0.00 C ATOM 416 O SER A 39 0.954 -6.647 -11.522 1.00 0.00 O ATOM 417 CB SER A 39 0.280 -7.916 -13.891 1.00 0.00 C ATOM 418 OG SER A 39 1.614 -8.384 -14.109 1.00 0.00 O ATOM 0 H SER A 39 1.618 -5.291 -14.995 1.00 0.00 H new ATOM 0 HA SER A 39 -0.733 -5.960 -13.702 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.116 -8.338 -12.968 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.369 -8.253 -14.699 1.00 0.00 H new ATOM 0 HG SER A 39 1.614 -9.363 -14.156 1.00 0.00 H new ATOM 421 N PRO A 40 1.589 -4.715 -12.438 1.00 0.00 N ATOM 422 CA PRO A 40 2.431 -4.318 -11.294 1.00 0.00 C ATOM 423 C PRO A 40 1.582 -3.767 -10.126 1.00 0.00 C ATOM 424 O PRO A 40 0.496 -4.286 -9.860 1.00 0.00 O ATOM 425 CB PRO A 40 3.410 -3.307 -11.901 1.00 0.00 C ATOM 426 CG PRO A 40 3.027 -3.161 -13.374 1.00 0.00 C ATOM 427 CD PRO A 40 1.569 -3.604 -13.402 1.00 0.00 C ATOM 0 HA PRO A 40 2.966 -5.148 -10.832 1.00 0.00 H new ATOM 0 HB2 PRO A 40 3.346 -2.348 -11.387 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.438 -3.654 -11.800 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.142 -2.134 -13.720 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.650 -3.785 -14.015 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.891 -2.807 -13.097 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.256 -3.926 -14.395 1.00 0.00 H new ATOM 428 N LEU A 41 2.066 -2.728 -9.445 1.00 0.00 N ATOM 429 CA LEU A 41 1.413 -2.175 -8.241 1.00 0.00 C ATOM 430 C LEU A 41 0.949 -0.730 -8.492 1.00 0.00 C ATOM 431 O LEU A 41 1.774 0.179 -8.567 1.00 0.00 O ATOM 432 CB LEU A 41 2.410 -2.279 -7.075 1.00 0.00 C ATOM 433 CG LEU A 41 1.814 -2.058 -5.677 1.00 0.00 C ATOM 434 CD1 LEU A 41 2.691 -2.764 -4.643 1.00 0.00 C ATOM 435 CD2 LEU A 41 1.746 -0.575 -5.306 1.00 0.00 C ATOM 0 H LEU A 41 2.923 -2.240 -9.707 1.00 0.00 H new ATOM 0 HA LEU A 41 0.516 -2.741 -7.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.873 -3.265 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.204 -1.549 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 41 0.801 -2.459 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.274 -2.612 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.725 -3.831 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.700 -2.353 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.318 -0.469 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.750 -0.151 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.122 -0.048 -6.027 1.00 0.00 H new ATOM 437 N LYS A 42 -0.363 -0.569 -8.642 1.00 0.00 N ATOM 438 CA LYS A 42 -0.995 0.749 -8.839 1.00 0.00 C ATOM 439 C LYS A 42 -1.941 1.078 -7.676 1.00 0.00 C ATOM 440 O LYS A 42 -2.764 0.268 -7.249 1.00 0.00 O ATOM 441 CB LYS A 42 -1.786 0.831 -10.150 1.00 0.00 C ATOM 442 CG LYS A 42 -2.067 2.301 -10.483 1.00 0.00 C ATOM 443 CD LYS A 42 -2.985 2.510 -11.684 1.00 0.00 C ATOM 444 CE LYS A 42 -2.337 3.502 -12.653 1.00 0.00 C ATOM 445 NZ LYS A 42 -3.335 4.109 -13.544 1.00 0.00 N ATOM 0 H LYS A 42 -1.026 -1.344 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.181 1.473 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.222 0.365 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.723 0.282 -10.057 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.514 2.779 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.120 2.806 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.167 1.560 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.953 2.887 -11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.827 4.283 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.579 2.991 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.865 4.776 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.804 3.364 -14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.044 4.617 -12.977 1.00 0.00 H new ATOM 450 N PHE A 43 -1.777 2.293 -7.178 1.00 0.00 N ATOM 451 CA PHE A 43 -2.656 2.851 -6.141 1.00 0.00 C ATOM 452 C PHE A 43 -3.249 4.230 -6.477 1.00 0.00 C ATOM 453 O PHE A 43 -2.556 5.134 -6.941 1.00 0.00 O ATOM 454 CB PHE A 43 -1.899 2.763 -4.809 1.00 0.00 C ATOM 455 CG PHE A 43 -2.104 3.923 -3.840 1.00 0.00 C ATOM 456 CD1 PHE A 43 -1.364 5.067 -4.069 1.00 0.00 C ATOM 457 CD2 PHE A 43 -2.828 3.782 -2.666 1.00 0.00 C ATOM 458 CE1 PHE A 43 -1.334 6.092 -3.139 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.759 4.786 -1.711 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.037 5.951 -1.952 1.00 0.00 C ATOM 0 H PHE A 43 -1.034 2.926 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.568 2.258 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.194 1.841 -4.307 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.834 2.681 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.801 5.163 -4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.436 2.905 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.769 6.991 -3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.272 4.662 -0.769 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.024 6.742 -1.217 1.00 0.00 H new ATOM 467 N ILE A 44 -4.516 4.360 -6.091 1.00 0.00 N ATOM 468 CA ILE A 44 -5.346 5.573 -6.264 1.00 0.00 C ATOM 469 C ILE A 44 -5.629 6.178 -4.861 1.00 0.00 C ATOM 470 O ILE A 44 -5.220 5.653 -3.822 1.00 0.00 O ATOM 471 CB ILE A 44 -6.650 5.237 -7.048 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.493 4.181 -8.165 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.314 6.494 -7.639 1.00 0.00 C ATOM 474 CD1 ILE A 44 -5.503 4.492 -9.301 1.00 0.00 C ATOM 0 H ILE A 44 -5.021 3.602 -5.631 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.818 6.318 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.291 4.796 -6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.189 3.243 -7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.474 4.013 -8.610 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.219 6.209 -8.176 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.571 7.182 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.623 6.982 -8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.495 3.666 -10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.808 5.406 -9.810 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.504 4.624 -8.887 1.00 0.00 H new ATOM 476 N LEU A 45 -6.479 7.201 -4.832 1.00 0.00 N ATOM 477 CA LEU A 45 -6.712 8.080 -3.674 1.00 0.00 C ATOM 478 C LEU A 45 -8.221 8.266 -3.436 1.00 0.00 C ATOM 479 O LEU A 45 -8.892 8.957 -4.200 1.00 0.00 O ATOM 480 CB LEU A 45 -6.009 9.414 -3.969 1.00 0.00 C ATOM 481 CG LEU A 45 -4.841 9.768 -3.040 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.633 8.853 -3.250 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.429 11.226 -3.247 1.00 0.00 C ATOM 0 H LEU A 45 -7.048 7.455 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.307 7.645 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.640 9.390 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.748 10.213 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.188 9.623 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.833 9.144 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.920 7.820 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.284 8.942 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.599 11.467 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.120 11.373 -4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.274 11.878 -3.024 1.00 0.00 H new ATOM 485 N SER A 46 -8.730 7.586 -2.407 1.00 0.00 N ATOM 486 CA SER A 46 -10.168 7.464 -2.045 1.00 0.00 C ATOM 487 C SER A 46 -11.013 6.705 -3.080 1.00 0.00 C ATOM 488 O SER A 46 -10.564 6.430 -4.192 1.00 0.00 O ATOM 489 CB SER A 46 -10.870 8.792 -1.709 1.00 0.00 C ATOM 490 OG SER A 46 -11.100 9.572 -2.883 1.00 0.00 O ATOM 0 H SER A 46 -8.129 7.074 -1.761 1.00 0.00 H new ATOM 0 HA SER A 46 -10.116 6.874 -1.130 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.820 8.588 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.260 9.360 -1.007 1.00 0.00 H new ATOM 0 HG SER A 46 -10.408 9.374 -3.548 1.00 0.00 H new ATOM 493 N THR A 47 -12.233 6.394 -2.647 1.00 0.00 N ATOM 494 CA THR A 47 -13.287 5.716 -3.432 1.00 0.00 C ATOM 495 C THR A 47 -14.634 6.129 -2.817 1.00 0.00 C ATOM 496 O THR A 47 -14.818 6.032 -1.604 1.00 0.00 O ATOM 497 CB THR A 47 -13.147 4.181 -3.361 1.00 0.00 C ATOM 498 OG1 THR A 47 -11.837 3.777 -3.769 1.00 0.00 O ATOM 499 CG2 THR A 47 -14.171 3.453 -4.241 1.00 0.00 C ATOM 0 H THR A 47 -12.537 6.613 -1.698 1.00 0.00 H new ATOM 0 HA THR A 47 -13.209 6.003 -4.481 1.00 0.00 H new ATOM 0 HB THR A 47 -13.328 3.908 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.663 2.865 -3.455 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.027 2.376 -4.153 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.179 3.712 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.036 3.753 -5.280 1.00 0.00 H new ATOM 502 N SER A 48 -15.528 6.656 -3.657 1.00 0.00 N ATOM 503 CA SER A 48 -16.922 7.014 -3.295 1.00 0.00 C ATOM 504 C SER A 48 -17.028 8.181 -2.290 1.00 0.00 C ATOM 505 O SER A 48 -17.130 9.331 -2.705 1.00 0.00 O ATOM 506 CB SER A 48 -17.708 5.753 -2.875 1.00 0.00 C ATOM 507 OG SER A 48 -18.994 6.066 -2.328 1.00 0.00 O ATOM 0 H SER A 48 -15.308 6.854 -4.633 1.00 0.00 H new ATOM 0 HA SER A 48 -17.399 7.412 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.833 5.102 -3.740 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.129 5.196 -2.138 1.00 0.00 H new ATOM 0 HG SER A 48 -19.454 5.237 -2.079 1.00 0.00 H new ATOM 510 N ASP A 49 -16.938 7.876 -0.996 1.00 0.00 N ATOM 511 CA ASP A 49 -17.012 8.869 0.097 1.00 0.00 C ATOM 512 C ASP A 49 -16.012 8.547 1.224 1.00 0.00 C ATOM 513 O ASP A 49 -15.059 9.287 1.436 1.00 0.00 O ATOM 514 CB ASP A 49 -18.457 8.958 0.611 1.00 0.00 C ATOM 515 CG ASP A 49 -18.688 10.173 1.515 1.00 0.00 C ATOM 516 OD1 ASP A 49 -18.297 10.063 2.698 1.00 0.00 O ATOM 517 OD2 ASP A 49 -19.257 11.164 1.011 1.00 0.00 O ATOM 0 H ASP A 49 -16.810 6.920 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 49 -16.725 9.846 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -19.138 9.007 -0.238 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.699 8.049 1.162 1.00 0.00 H new ATOM 519 N ASP A 50 -16.166 7.371 1.839 1.00 0.00 N ATOM 520 CA ASP A 50 -15.288 6.912 2.939 1.00 0.00 C ATOM 521 C ASP A 50 -14.203 5.901 2.511 1.00 0.00 C ATOM 522 O ASP A 50 -13.544 5.288 3.352 1.00 0.00 O ATOM 523 CB ASP A 50 -16.177 6.304 4.030 1.00 0.00 C ATOM 524 CG ASP A 50 -16.123 7.083 5.348 1.00 0.00 C ATOM 525 OD1 ASP A 50 -14.998 7.406 5.786 1.00 0.00 O ATOM 526 OD2 ASP A 50 -17.214 7.258 5.932 1.00 0.00 O ATOM 0 H ASP A 50 -16.899 6.705 1.595 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.737 7.781 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.207 6.271 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.869 5.274 4.210 1.00 0.00 H new ATOM 528 N SER A 51 -13.892 5.912 1.215 1.00 0.00 N ATOM 529 CA SER A 51 -12.949 5.001 0.522 1.00 0.00 C ATOM 530 C SER A 51 -13.259 3.497 0.696 1.00 0.00 C ATOM 531 O SER A 51 -14.413 3.119 0.884 1.00 0.00 O ATOM 532 CB SER A 51 -11.503 5.362 0.890 1.00 0.00 C ATOM 533 OG SER A 51 -11.180 4.862 2.190 1.00 0.00 O ATOM 0 H SER A 51 -14.308 6.589 0.576 1.00 0.00 H new ATOM 0 HA SER A 51 -13.087 5.162 -0.547 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.818 4.944 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.375 6.444 0.867 1.00 0.00 H new ATOM 0 HG SER A 51 -11.962 4.943 2.775 1.00 0.00 H new ATOM 536 N ASP A 52 -12.229 2.661 0.545 1.00 0.00 N ATOM 537 CA ASP A 52 -12.305 1.190 0.684 1.00 0.00 C ATOM 538 C ASP A 52 -11.317 0.592 1.710 1.00 0.00 C ATOM 539 O ASP A 52 -11.640 -0.352 2.433 1.00 0.00 O ATOM 540 CB ASP A 52 -12.226 0.517 -0.700 1.00 0.00 C ATOM 541 CG ASP A 52 -11.123 1.009 -1.648 1.00 0.00 C ATOM 542 OD1 ASP A 52 -10.005 1.268 -1.153 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.447 1.199 -2.842 1.00 0.00 O ATOM 0 H ASP A 52 -11.291 2.989 0.317 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.281 0.966 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.091 -0.554 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.186 0.651 -1.198 1.00 0.00 H new ATOM 545 N TYR A 53 -10.068 1.052 1.660 1.00 0.00 N ATOM 546 CA TYR A 53 -9.048 0.745 2.680 1.00 0.00 C ATOM 547 C TYR A 53 -9.161 1.638 3.923 1.00 0.00 C ATOM 548 O TYR A 53 -9.127 2.865 3.834 1.00 0.00 O ATOM 549 CB TYR A 53 -7.660 0.903 2.058 1.00 0.00 C ATOM 550 CG TYR A 53 -6.950 -0.419 1.756 1.00 0.00 C ATOM 551 CD1 TYR A 53 -7.082 -1.518 2.596 1.00 0.00 C ATOM 552 CD2 TYR A 53 -6.114 -0.503 0.654 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.440 -2.708 2.298 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.429 -1.677 0.378 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.648 -2.800 1.166 1.00 0.00 C ATOM 556 OH TYR A 53 -5.192 -4.020 0.780 1.00 0.00 O ATOM 0 H TYR A 53 -9.726 1.652 0.909 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.212 -0.281 3.011 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.752 1.472 1.133 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.037 1.490 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.689 -1.444 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.995 0.352 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.557 -3.563 2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.730 -1.718 -0.444 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.651 -3.925 -0.032 1.00 0.00 H new ATOM 563 N ILE A 54 -9.119 0.984 5.080 1.00 0.00 N ATOM 564 CA ILE A 54 -9.328 1.647 6.382 1.00 0.00 C ATOM 565 C ILE A 54 -8.013 1.638 7.179 1.00 0.00 C ATOM 566 O ILE A 54 -7.547 0.599 7.648 1.00 0.00 O ATOM 567 CB ILE A 54 -10.451 0.973 7.199 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.676 0.529 6.376 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.863 1.864 8.382 1.00 0.00 C ATOM 570 CD1 ILE A 54 -12.396 1.607 5.547 1.00 0.00 C ATOM 0 H ILE A 54 -8.940 -0.018 5.151 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.638 2.674 6.191 1.00 0.00 H new ATOM 0 HB ILE A 54 -10.023 0.043 7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.358 -0.262 5.697 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.401 0.089 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.656 1.374 8.948 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.003 2.028 9.031 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.223 2.822 8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.237 1.158 5.019 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.760 2.392 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.701 2.035 4.825 1.00 0.00 H new ATOM 572 N CYS A 55 -7.394 2.813 7.201 1.00 0.00 N ATOM 573 CA CYS A 55 -6.107 3.052 7.878 1.00 0.00 C ATOM 574 C CYS A 55 -6.240 3.140 9.406 1.00 0.00 C ATOM 575 O CYS A 55 -6.908 4.031 9.924 1.00 0.00 O ATOM 576 CB CYS A 55 -5.430 4.283 7.259 1.00 0.00 C ATOM 577 SG CYS A 55 -6.260 5.892 7.524 1.00 0.00 S ATOM 0 H CYS A 55 -7.771 3.644 6.745 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.463 2.188 7.714 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.418 4.352 7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.340 4.119 6.185 1.00 0.00 H new ATOM 579 N LYS A 56 -5.770 2.084 10.068 1.00 0.00 N ATOM 580 CA LYS A 56 -5.780 1.986 11.545 1.00 0.00 C ATOM 581 C LYS A 56 -4.747 2.912 12.206 1.00 0.00 C ATOM 582 O LYS A 56 -5.107 3.823 12.947 1.00 0.00 O ATOM 583 CB LYS A 56 -5.582 0.540 12.024 1.00 0.00 C ATOM 584 CG LYS A 56 -6.803 -0.332 11.718 1.00 0.00 C ATOM 585 CD LYS A 56 -6.655 -1.801 12.137 1.00 0.00 C ATOM 586 CE LYS A 56 -6.935 -2.084 13.619 1.00 0.00 C ATOM 587 NZ LYS A 56 -5.816 -1.749 14.513 1.00 0.00 N ATOM 0 H LYS A 56 -5.370 1.268 9.605 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.769 2.320 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.702 0.115 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.392 0.535 13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.672 0.091 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.004 -0.291 10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.332 -2.405 11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.642 -2.129 11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.814 -1.518 13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.178 -3.140 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.879 -2.323 15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.916 -1.947 14.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.861 -0.740 14.762 1.00 0.00 H new ATOM 592 N TYR A 57 -3.473 2.681 11.883 1.00 0.00 N ATOM 593 CA TYR A 57 -2.345 3.414 12.496 1.00 0.00 C ATOM 594 C TYR A 57 -1.210 3.700 11.504 1.00 0.00 C ATOM 595 O TYR A 57 -1.098 3.083 10.439 1.00 0.00 O ATOM 596 CB TYR A 57 -1.753 2.649 13.687 1.00 0.00 C ATOM 597 CG TYR A 57 -2.769 2.265 14.763 1.00 0.00 C ATOM 598 CD1 TYR A 57 -3.475 3.227 15.479 1.00 0.00 C ATOM 599 CD2 TYR A 57 -3.000 0.917 14.994 1.00 0.00 C ATOM 600 CE1 TYR A 57 -4.414 2.837 16.425 1.00 0.00 C ATOM 601 CE2 TYR A 57 -3.932 0.524 15.943 1.00 0.00 C ATOM 602 CZ TYR A 57 -4.641 1.483 16.652 1.00 0.00 C ATOM 603 OH TYR A 57 -5.558 1.082 17.567 1.00 0.00 O ATOM 0 H TYR A 57 -3.187 1.986 11.194 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.770 4.361 12.830 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.274 1.742 13.318 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.973 3.259 14.143 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.293 4.276 15.299 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.453 0.172 14.434 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.965 3.581 16.982 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.105 -0.526 16.130 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.586 0.103 17.594 1.00 0.00 H new ATOM 610 N ILE A 58 -0.360 4.623 11.936 1.00 0.00 N ATOM 611 CA ILE A 58 0.879 5.005 11.233 1.00 0.00 C ATOM 612 C ILE A 58 2.148 4.741 12.052 1.00 0.00 C ATOM 613 O ILE A 58 2.220 4.977 13.256 1.00 0.00 O ATOM 614 CB ILE A 58 0.822 6.462 10.736 1.00 0.00 C ATOM 615 CG1 ILE A 58 0.335 7.489 11.771 1.00 0.00 C ATOM 616 CG2 ILE A 58 -0.027 6.516 9.470 1.00 0.00 C ATOM 617 CD1 ILE A 58 1.398 7.968 12.763 1.00 0.00 C ATOM 0 H ILE A 58 -0.507 5.143 12.801 1.00 0.00 H new ATOM 0 HA ILE A 58 0.942 4.353 10.362 1.00 0.00 H new ATOM 0 HB ILE A 58 1.850 6.760 10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.061 8.355 11.241 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.492 7.052 12.331 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.075 7.543 9.108 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.420 5.882 8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.034 6.162 9.692 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.956 8.689 13.450 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.780 7.117 13.327 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.217 8.440 12.219 1.00 0.00 H new ATOM 619 N ASN A 59 3.172 4.338 11.317 1.00 0.00 N ATOM 620 CA ASN A 59 4.535 4.104 11.816 1.00 0.00 C ATOM 621 C ASN A 59 5.458 5.214 11.310 1.00 0.00 C ATOM 622 O ASN A 59 5.834 5.270 10.140 1.00 0.00 O ATOM 623 CB ASN A 59 5.066 2.750 11.335 1.00 0.00 C ATOM 624 CG ASN A 59 4.380 1.568 12.021 1.00 0.00 C ATOM 625 OD1 ASN A 59 3.245 1.208 11.744 1.00 0.00 O ATOM 626 ND2 ASN A 59 5.084 0.944 12.936 1.00 0.00 N ATOM 0 H ASN A 59 3.083 4.155 10.317 1.00 0.00 H new ATOM 0 HA ASN A 59 4.510 4.103 12.906 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.924 2.671 10.257 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.139 2.699 11.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.686 0.145 13.429 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.030 1.258 13.154 1.00 0.00 H new ATOM 630 N THR A 60 5.699 6.157 12.208 1.00 0.00 N ATOM 631 CA THR A 60 6.663 7.260 11.985 1.00 0.00 C ATOM 632 C THR A 60 8.125 6.793 11.790 1.00 0.00 C ATOM 633 O THR A 60 8.789 7.227 10.853 1.00 0.00 O ATOM 634 CB THR A 60 6.507 8.346 13.071 1.00 0.00 C ATOM 635 OG1 THR A 60 7.403 9.424 12.806 1.00 0.00 O ATOM 636 CG2 THR A 60 6.680 7.834 14.508 1.00 0.00 C ATOM 0 H THR A 60 5.239 6.192 13.118 1.00 0.00 H new ATOM 0 HA THR A 60 6.408 7.711 11.026 1.00 0.00 H new ATOM 0 HB THR A 60 5.475 8.691 13.014 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.300 10.112 13.496 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.555 8.661 15.207 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.932 7.069 14.714 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.677 7.408 14.625 1.00 0.00 H new ATOM 639 N GLU A 61 8.481 5.696 12.463 1.00 0.00 N ATOM 640 CA GLU A 61 9.858 5.150 12.480 1.00 0.00 C ATOM 641 C GLU A 61 10.298 4.523 11.140 1.00 0.00 C ATOM 642 O GLU A 61 11.358 4.854 10.620 1.00 0.00 O ATOM 643 CB GLU A 61 9.992 4.152 13.639 1.00 0.00 C ATOM 644 CG GLU A 61 11.442 3.707 13.867 1.00 0.00 C ATOM 645 CD GLU A 61 11.533 2.651 14.971 1.00 0.00 C ATOM 646 OE1 GLU A 61 11.112 1.508 14.688 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.914 3.035 16.096 1.00 0.00 O ATOM 0 H GLU A 61 7.823 5.150 13.019 1.00 0.00 H new ATOM 0 HA GLU A 61 10.537 5.989 12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.607 4.607 14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.375 3.277 13.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.851 3.304 12.941 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.052 4.570 14.135 1.00 0.00 H new ATOM 649 N HIS A 62 9.482 3.612 10.613 1.00 0.00 N ATOM 650 CA HIS A 62 9.723 2.981 9.299 1.00 0.00 C ATOM 651 C HIS A 62 8.893 3.635 8.177 1.00 0.00 C ATOM 652 O HIS A 62 8.580 2.996 7.174 1.00 0.00 O ATOM 653 CB HIS A 62 9.401 1.489 9.420 1.00 0.00 C ATOM 654 CG HIS A 62 10.639 0.597 9.307 1.00 0.00 C ATOM 655 ND1 HIS A 62 10.790 -0.401 8.441 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.674 0.573 10.142 1.00 0.00 C ATOM 657 CE1 HIS A 62 11.913 -1.046 8.743 1.00 0.00 C ATOM 658 NE2 HIS A 62 12.457 -0.445 9.796 1.00 0.00 N ATOM 0 H HIS A 62 8.634 3.285 11.077 1.00 0.00 H new ATOM 0 HA HIS A 62 10.768 3.122 9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.914 1.305 10.378 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.689 1.213 8.642 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.848 1.259 10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.312 -1.905 8.225 1.00 0.00 H new ATOM 0 HE2 HIS A 62 13.324 -0.717 10.259 1.00 0.00 H new ATOM 661 N LYS A 63 8.569 4.914 8.399 1.00 0.00 N ATOM 662 CA LYS A 63 7.730 5.794 7.554 1.00 0.00 C ATOM 663 C LYS A 63 6.617 5.052 6.772 1.00 0.00 C ATOM 664 O LYS A 63 6.434 5.218 5.569 1.00 0.00 O ATOM 665 CB LYS A 63 8.637 6.625 6.629 1.00 0.00 C ATOM 666 CG LYS A 63 9.818 7.355 7.284 1.00 0.00 C ATOM 667 CD LYS A 63 9.791 8.874 7.057 1.00 0.00 C ATOM 668 CE LYS A 63 9.901 9.333 5.594 1.00 0.00 C ATOM 669 NZ LYS A 63 11.224 9.110 4.987 1.00 0.00 N ATOM 0 H LYS A 63 8.906 5.402 9.229 1.00 0.00 H new ATOM 0 HA LYS A 63 7.184 6.460 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.033 5.963 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.018 7.367 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.812 7.154 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.750 6.952 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.864 9.268 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.609 9.321 7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.150 8.808 5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.664 10.395 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.215 9.446 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.945 9.632 5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.447 8.094 5.005 1.00 0.00 H new ATOM 674 N GLN A 64 5.847 4.250 7.503 1.00 0.00 N ATOM 675 CA GLN A 64 4.858 3.310 6.928 1.00 0.00 C ATOM 676 C GLN A 64 3.492 3.298 7.636 1.00 0.00 C ATOM 677 O GLN A 64 3.336 3.847 8.720 1.00 0.00 O ATOM 678 CB GLN A 64 5.430 1.890 6.795 1.00 0.00 C ATOM 679 CG GLN A 64 5.900 1.222 8.092 1.00 0.00 C ATOM 680 CD GLN A 64 6.487 -0.175 7.849 1.00 0.00 C ATOM 681 OE1 GLN A 64 6.121 -1.154 8.480 1.00 0.00 O ATOM 682 NE2 GLN A 64 7.464 -0.291 6.975 1.00 0.00 N ATOM 0 H GLN A 64 5.884 4.226 8.522 1.00 0.00 H new ATOM 0 HA GLN A 64 4.658 3.699 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.669 1.256 6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.272 1.924 6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.651 1.851 8.570 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.061 1.146 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.774 0.524 6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.912 -1.196 6.827 1.00 0.00 H new ATOM 686 N LEU A 65 2.495 2.823 6.906 1.00 0.00 N ATOM 687 CA LEU A 65 1.080 2.734 7.318 1.00 0.00 C ATOM 688 C LEU A 65 0.570 1.284 7.375 1.00 0.00 C ATOM 689 O LEU A 65 0.880 0.460 6.511 1.00 0.00 O ATOM 690 CB LEU A 65 0.299 3.539 6.270 1.00 0.00 C ATOM 691 CG LEU A 65 -1.229 3.438 6.271 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.859 4.205 7.431 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.762 3.932 4.928 1.00 0.00 C ATOM 0 H LEU A 65 2.645 2.468 5.961 1.00 0.00 H new ATOM 0 HA LEU A 65 0.951 3.125 8.327 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.563 4.589 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.652 3.234 5.285 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.506 2.393 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.943 4.103 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.493 3.801 8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.591 5.259 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.850 3.863 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.463 4.969 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.354 3.317 4.126 1.00 0.00 H new ATOM 695 N THR A 66 -0.327 1.080 8.338 1.00 0.00 N ATOM 696 CA THR A 66 -1.066 -0.188 8.530 1.00 0.00 C ATOM 697 C THR A 66 -2.587 0.022 8.409 1.00 0.00 C ATOM 698 O THR A 66 -3.198 0.795 9.152 1.00 0.00 O ATOM 699 CB THR A 66 -0.671 -0.908 9.834 1.00 0.00 C ATOM 700 OG1 THR A 66 -1.391 -2.139 9.926 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.844 -0.085 11.116 1.00 0.00 C ATOM 0 H THR A 66 -0.572 1.796 9.022 1.00 0.00 H new ATOM 0 HA THR A 66 -0.772 -0.856 7.720 1.00 0.00 H new ATOM 0 HB THR A 66 0.403 -1.083 9.767 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.142 -2.602 10.753 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.539 -0.682 11.975 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.226 0.811 11.059 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.890 0.201 11.226 1.00 0.00 H new ATOM 704 N LEU A 67 -3.128 -0.574 7.351 1.00 0.00 N ATOM 705 CA LEU A 67 -4.547 -0.422 6.964 1.00 0.00 C ATOM 706 C LEU A 67 -5.218 -1.735 6.536 1.00 0.00 C ATOM 707 O LEU A 67 -4.583 -2.570 5.899 1.00 0.00 O ATOM 708 CB LEU A 67 -4.704 0.665 5.882 1.00 0.00 C ATOM 709 CG LEU A 67 -4.084 0.476 4.491 1.00 0.00 C ATOM 710 CD1 LEU A 67 -4.546 1.631 3.603 1.00 0.00 C ATOM 711 CD2 LEU A 67 -2.552 0.477 4.497 1.00 0.00 C ATOM 0 H LEU A 67 -2.599 -1.183 6.726 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.074 -0.105 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.773 0.824 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.297 1.589 6.293 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.409 -0.498 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.117 1.518 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.634 1.623 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.217 2.576 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.184 0.339 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.190 1.428 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.190 -0.335 5.127 1.00 0.00 H new ATOM 713 N TYR A 68 -6.507 -1.870 6.841 1.00 0.00 N ATOM 714 CA TYR A 68 -7.279 -3.085 6.509 1.00 0.00 C ATOM 715 C TYR A 68 -8.429 -2.814 5.532 1.00 0.00 C ATOM 716 O TYR A 68 -9.061 -1.760 5.563 1.00 0.00 O ATOM 717 CB TYR A 68 -7.789 -3.807 7.766 1.00 0.00 C ATOM 718 CG TYR A 68 -8.968 -3.124 8.460 1.00 0.00 C ATOM 719 CD1 TYR A 68 -8.777 -1.935 9.147 1.00 0.00 C ATOM 720 CD2 TYR A 68 -10.235 -3.684 8.364 1.00 0.00 C ATOM 721 CE1 TYR A 68 -9.859 -1.291 9.724 1.00 0.00 C ATOM 722 CE2 TYR A 68 -11.321 -3.040 8.938 1.00 0.00 C ATOM 723 CZ TYR A 68 -11.131 -1.837 9.610 1.00 0.00 C ATOM 724 OH TYR A 68 -12.193 -1.150 10.096 1.00 0.00 O ATOM 0 H TYR A 68 -7.050 -1.152 7.321 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.578 -3.748 6.001 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.083 -4.820 7.492 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.967 -3.895 8.477 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.787 -1.512 9.232 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.375 -4.620 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.714 -0.366 10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.309 -3.470 8.864 1.00 0.00 H new ATOM 0 HH TYR A 68 -13.014 -1.663 9.940 1.00 0.00 H new ATOM 731 N ASN A 69 -8.570 -3.717 4.568 1.00 0.00 N ATOM 732 CA ASN A 69 -9.647 -3.623 3.567 1.00 0.00 C ATOM 733 C ASN A 69 -10.989 -4.144 4.098 1.00 0.00 C ATOM 734 O ASN A 69 -11.129 -5.329 4.411 1.00 0.00 O ATOM 735 CB ASN A 69 -9.260 -4.342 2.269 1.00 0.00 C ATOM 736 CG ASN A 69 -10.229 -4.042 1.119 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.622 -4.925 0.377 1.00 0.00 O ATOM 738 ND2 ASN A 69 -10.766 -2.844 1.053 1.00 0.00 N ATOM 0 H ASN A 69 -7.957 -4.524 4.451 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.779 -2.563 3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.253 -4.043 1.978 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.234 -5.417 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.510 -2.655 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.438 -2.103 1.673 1.00 0.00 H new ATOM 742 N LYS A 70 -11.964 -3.242 4.047 1.00 0.00 N ATOM 743 CA LYS A 70 -13.364 -3.541 4.407 1.00 0.00 C ATOM 744 C LYS A 70 -14.193 -4.014 3.186 1.00 0.00 C ATOM 745 O LYS A 70 -15.421 -4.059 3.224 1.00 0.00 O ATOM 746 CB LYS A 70 -13.944 -2.267 5.038 1.00 0.00 C ATOM 747 CG LYS A 70 -15.187 -2.535 5.896 1.00 0.00 C ATOM 748 CD LYS A 70 -15.864 -1.250 6.385 1.00 0.00 C ATOM 749 CE LYS A 70 -15.112 -0.560 7.528 1.00 0.00 C ATOM 750 NZ LYS A 70 -15.769 0.705 7.885 1.00 0.00 N ATOM 0 H LYS A 70 -11.814 -2.276 3.755 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.405 -4.369 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.180 -1.793 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.200 -1.561 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.903 -3.119 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.904 -3.141 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.955 -0.556 5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.876 -1.485 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.077 -1.217 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.081 -0.370 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.247 1.160 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.780 1.336 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.745 0.515 8.189 1.00 0.00 H new ATOM 755 N ASN A 71 -13.494 -4.462 2.142 1.00 0.00 N ATOM 756 CA ASN A 71 -14.124 -4.999 0.914 1.00 0.00 C ATOM 757 C ASN A 71 -13.913 -6.513 0.711 1.00 0.00 C ATOM 758 O ASN A 71 -14.589 -7.124 -0.112 1.00 0.00 O ATOM 759 CB ASN A 71 -13.631 -4.239 -0.326 1.00 0.00 C ATOM 760 CG ASN A 71 -13.924 -2.734 -0.297 1.00 0.00 C ATOM 761 OD1 ASN A 71 -13.568 -1.999 0.614 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.324 -2.201 -1.427 1.00 0.00 N ATOM 0 H ASN A 71 -12.474 -4.467 2.115 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.195 -4.848 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.556 -4.387 -0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -14.096 -4.671 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.335 -1.187 -1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.624 -2.801 -2.196 1.00 0.00 H new ATOM 766 N ASN A 72 -12.988 -7.086 1.482 1.00 0.00 N ATOM 767 CA ASN A 72 -12.683 -8.529 1.461 1.00 0.00 C ATOM 768 C ASN A 72 -13.132 -9.209 2.772 1.00 0.00 C ATOM 769 O ASN A 72 -14.252 -9.704 2.839 1.00 0.00 O ATOM 770 CB ASN A 72 -11.191 -8.767 1.190 1.00 0.00 C ATOM 771 CG ASN A 72 -10.649 -8.465 -0.210 1.00 0.00 C ATOM 772 OD1 ASN A 72 -11.249 -7.825 -1.059 1.00 0.00 O ATOM 773 ND2 ASN A 72 -9.451 -8.948 -0.462 1.00 0.00 N ATOM 0 H ASN A 72 -12.420 -6.562 2.148 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.246 -8.983 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.624 -8.167 1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.976 -9.812 1.411 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.018 -8.789 -1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.956 -9.482 0.252 1.00 0.00 H new ATOM 777 N SER A 73 -12.272 -9.197 3.801 1.00 0.00 N ATOM 778 CA SER A 73 -12.528 -9.788 5.137 1.00 0.00 C ATOM 779 C SER A 73 -11.363 -9.487 6.105 1.00 0.00 C ATOM 780 O SER A 73 -10.522 -10.331 6.398 1.00 0.00 O ATOM 781 CB SER A 73 -12.741 -11.310 5.019 1.00 0.00 C ATOM 782 OG SER A 73 -13.144 -11.877 6.268 1.00 0.00 O ATOM 0 H SER A 73 -11.351 -8.765 3.732 1.00 0.00 H new ATOM 0 HA SER A 73 -13.434 -9.335 5.540 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.498 -11.516 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.818 -11.783 4.683 1.00 0.00 H new ATOM 0 HG SER A 73 -13.273 -12.843 6.162 1.00 0.00 H new ATOM 785 N SER A 74 -11.298 -8.234 6.559 1.00 0.00 N ATOM 786 CA SER A 74 -10.245 -7.725 7.479 1.00 0.00 C ATOM 787 C SER A 74 -8.779 -7.903 7.021 1.00 0.00 C ATOM 788 O SER A 74 -7.897 -8.268 7.803 1.00 0.00 O ATOM 789 CB SER A 74 -10.451 -8.301 8.889 1.00 0.00 C ATOM 790 OG SER A 74 -11.572 -7.684 9.522 1.00 0.00 O ATOM 0 H SER A 74 -11.981 -7.522 6.301 1.00 0.00 H new ATOM 0 HA SER A 74 -10.383 -6.644 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.607 -9.378 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.554 -8.142 9.488 1.00 0.00 H new ATOM 0 HG SER A 74 -11.691 -8.063 10.418 1.00 0.00 H new ATOM 793 N ILE A 75 -8.485 -7.338 5.849 1.00 0.00 N ATOM 794 CA ILE A 75 -7.158 -7.479 5.197 1.00 0.00 C ATOM 795 C ILE A 75 -6.266 -6.277 5.564 1.00 0.00 C ATOM 796 O ILE A 75 -6.232 -5.272 4.853 1.00 0.00 O ATOM 797 CB ILE A 75 -7.265 -7.573 3.658 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.396 -8.478 3.145 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.913 -7.943 3.022 1.00 0.00 C ATOM 800 CD1 ILE A 75 -8.311 -9.985 3.416 1.00 0.00 C ATOM 0 H ILE A 75 -9.147 -6.771 5.319 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.720 -8.408 5.561 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.541 -6.570 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.330 -8.117 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.467 -8.339 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.024 -8.001 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.173 -7.182 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.583 -8.909 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.183 -10.481 2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.406 -10.386 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.283 -10.160 4.491 1.00 0.00 H new ATOM 802 N VAL A 76 -5.501 -6.450 6.634 1.00 0.00 N ATOM 803 CA VAL A 76 -4.584 -5.424 7.169 1.00 0.00 C ATOM 804 C VAL A 76 -3.158 -5.589 6.612 1.00 0.00 C ATOM 805 O VAL A 76 -2.498 -6.602 6.822 1.00 0.00 O ATOM 806 CB VAL A 76 -4.683 -5.352 8.711 1.00 0.00 C ATOM 807 CG1 VAL A 76 -4.298 -6.642 9.446 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.931 -4.140 9.265 1.00 0.00 C ATOM 0 H VAL A 76 -5.492 -7.317 7.171 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.897 -4.442 6.814 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.746 -5.226 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.399 -6.492 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.955 -7.452 9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.265 -6.900 9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.022 -4.121 10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.878 -4.208 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.356 -3.227 8.849 1.00 0.00 H new ATOM 810 N ILE A 77 -2.773 -4.627 5.782 1.00 0.00 N ATOM 811 CA ILE A 77 -1.456 -4.628 5.111 1.00 0.00 C ATOM 812 C ILE A 77 -0.575 -3.471 5.622 1.00 0.00 C ATOM 813 O ILE A 77 -1.069 -2.377 5.906 1.00 0.00 O ATOM 814 CB ILE A 77 -1.558 -4.665 3.562 1.00 0.00 C ATOM 815 CG1 ILE A 77 -1.823 -3.338 2.834 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.481 -5.793 3.074 1.00 0.00 C ATOM 817 CD1 ILE A 77 -3.158 -2.678 3.162 1.00 0.00 C ATOM 0 H ILE A 77 -3.354 -3.822 5.548 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.962 -5.561 5.383 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.534 -4.887 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.021 -2.641 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.777 -3.515 1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.524 -5.783 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.092 -6.753 3.413 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.482 -5.644 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.252 -1.749 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.972 -3.350 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.205 -2.463 4.229 1.00 0.00 H new ATOM 819 N GLU A 78 0.709 -3.778 5.792 1.00 0.00 N ATOM 820 CA GLU A 78 1.713 -2.836 6.338 1.00 0.00 C ATOM 821 C GLU A 78 2.813 -2.620 5.289 1.00 0.00 C ATOM 822 O GLU A 78 3.566 -3.537 4.956 1.00 0.00 O ATOM 823 CB GLU A 78 2.348 -3.388 7.618 1.00 0.00 C ATOM 824 CG GLU A 78 1.315 -3.719 8.697 1.00 0.00 C ATOM 825 CD GLU A 78 1.731 -4.981 9.448 1.00 0.00 C ATOM 826 OE1 GLU A 78 1.509 -6.072 8.877 1.00 0.00 O ATOM 827 OE2 GLU A 78 2.348 -4.834 10.527 1.00 0.00 O ATOM 0 H GLU A 78 1.096 -4.692 5.556 1.00 0.00 H new ATOM 0 HA GLU A 78 1.215 -1.896 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.917 -4.286 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.056 -2.658 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.224 -2.885 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.335 -3.863 8.242 1.00 0.00 H new ATOM 829 N ILE A 79 2.724 -1.472 4.631 1.00 0.00 N ATOM 830 CA ILE A 79 3.589 -1.198 3.459 1.00 0.00 C ATOM 831 C ILE A 79 4.367 0.120 3.638 1.00 0.00 C ATOM 832 O ILE A 79 3.790 1.076 4.143 1.00 0.00 O ATOM 833 CB ILE A 79 2.807 -1.268 2.122 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.900 -0.061 1.830 1.00 0.00 C ATOM 835 CG2 ILE A 79 1.963 -2.552 2.071 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.523 0.047 0.344 1.00 0.00 C ATOM 0 H ILE A 79 2.079 -0.719 4.872 1.00 0.00 H new ATOM 0 HA ILE A 79 4.331 -1.994 3.402 1.00 0.00 H new ATOM 0 HB ILE A 79 3.575 -1.262 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.992 -0.141 2.427 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.406 0.853 2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.418 -2.592 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.617 -3.421 2.149 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.255 -2.555 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.882 0.916 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.428 0.155 -0.254 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.991 -0.854 0.037 1.00 0.00 H new ATOM 838 N PHE A 80 5.621 0.167 3.198 1.00 0.00 N ATOM 839 CA PHE A 80 6.451 1.394 3.293 1.00 0.00 C ATOM 840 C PHE A 80 6.745 1.967 1.898 1.00 0.00 C ATOM 841 O PHE A 80 7.346 1.294 1.071 1.00 0.00 O ATOM 842 CB PHE A 80 7.781 1.182 4.043 1.00 0.00 C ATOM 843 CG PHE A 80 8.698 2.410 4.248 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.283 3.712 3.977 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.013 2.224 4.667 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.157 4.784 4.060 1.00 0.00 C ATOM 847 CE2 PHE A 80 10.877 3.307 4.812 1.00 0.00 C ATOM 848 CZ PHE A 80 10.455 4.590 4.500 1.00 0.00 C ATOM 0 H PHE A 80 6.098 -0.626 2.769 1.00 0.00 H new ATOM 0 HA PHE A 80 5.859 2.101 3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.549 0.770 5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.351 0.424 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.256 3.890 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.368 1.227 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.825 5.773 3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.883 3.146 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.130 5.427 4.599 1.00 0.00 H new ATOM 855 N ILE A 81 6.410 3.240 1.785 1.00 0.00 N ATOM 856 CA ILE A 81 6.639 4.082 0.588 1.00 0.00 C ATOM 857 C ILE A 81 7.686 5.174 0.934 1.00 0.00 C ATOM 858 O ILE A 81 7.335 6.157 1.578 1.00 0.00 O ATOM 859 CB ILE A 81 5.300 4.668 0.132 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.355 3.551 -0.304 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.459 5.643 -1.031 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.371 3.130 0.780 1.00 0.00 C ATOM 0 H ILE A 81 5.954 3.749 2.542 1.00 0.00 H new ATOM 0 HA ILE A 81 7.039 3.497 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 81 4.891 5.209 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.798 3.879 -1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.944 2.685 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.481 6.031 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.102 6.469 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.907 5.127 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.731 2.333 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.920 2.771 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.757 3.984 1.065 1.00 0.00 H new ATOM 864 N PRO A 82 8.958 4.900 0.630 1.00 0.00 N ATOM 865 CA PRO A 82 10.065 5.843 0.894 1.00 0.00 C ATOM 866 C PRO A 82 10.350 6.733 -0.331 1.00 0.00 C ATOM 867 O PRO A 82 9.781 7.814 -0.435 1.00 0.00 O ATOM 868 CB PRO A 82 11.255 4.952 1.276 1.00 0.00 C ATOM 869 CG PRO A 82 10.730 3.513 1.269 1.00 0.00 C ATOM 870 CD PRO A 82 9.511 3.568 0.359 1.00 0.00 C ATOM 0 HA PRO A 82 9.832 6.548 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.074 5.071 0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.643 5.220 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.479 2.817 0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 82 10.464 3.181 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.784 3.450 -0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.796 2.779 0.593 1.00 0.00 H new ATOM 871 N ASN A 83 11.241 6.254 -1.199 1.00 0.00 N ATOM 872 CA ASN A 83 11.788 6.877 -2.433 1.00 0.00 C ATOM 873 C ASN A 83 12.951 5.982 -2.908 1.00 0.00 C ATOM 874 O ASN A 83 12.873 4.772 -2.696 1.00 0.00 O ATOM 875 CB ASN A 83 12.229 8.336 -2.208 1.00 0.00 C ATOM 876 CG ASN A 83 13.265 8.533 -1.096 1.00 0.00 C ATOM 877 OD1 ASN A 83 14.060 7.671 -0.750 1.00 0.00 O ATOM 878 ND2 ASN A 83 13.296 9.725 -0.553 1.00 0.00 N ATOM 0 H ASN A 83 11.646 5.329 -1.053 1.00 0.00 H new ATOM 0 HA ASN A 83 11.016 6.937 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.640 8.724 -3.140 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.348 8.934 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.988 9.940 0.165 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.629 10.437 -0.848 1.00 0.00 H new ATOM 882 N ASP A 84 13.921 6.543 -3.641 1.00 0.00 N ATOM 883 CA ASP A 84 15.196 5.895 -4.042 1.00 0.00 C ATOM 884 C ASP A 84 15.093 4.450 -4.560 1.00 0.00 C ATOM 885 O ASP A 84 16.034 3.667 -4.463 1.00 0.00 O ATOM 886 CB ASP A 84 16.223 5.988 -2.904 1.00 0.00 C ATOM 887 CG ASP A 84 16.829 7.385 -2.763 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.088 8.013 -3.815 1.00 0.00 O ATOM 889 OD2 ASP A 84 17.044 7.795 -1.603 1.00 0.00 O ATOM 0 H ASP A 84 13.845 7.499 -3.990 1.00 0.00 H new ATOM 0 HA ASP A 84 15.526 6.465 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.744 5.709 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.021 5.267 -3.082 1.00 0.00 H new ATOM 891 N ASN A 85 13.966 4.192 -5.222 1.00 0.00 N ATOM 892 CA ASN A 85 13.562 2.867 -5.727 1.00 0.00 C ATOM 893 C ASN A 85 13.569 1.837 -4.577 1.00 0.00 C ATOM 894 O ASN A 85 14.587 1.203 -4.314 1.00 0.00 O ATOM 895 CB ASN A 85 14.451 2.425 -6.911 1.00 0.00 C ATOM 896 CG ASN A 85 15.166 3.570 -7.648 1.00 0.00 C ATOM 897 OD1 ASN A 85 16.381 3.679 -7.674 1.00 0.00 O ATOM 898 ND2 ASN A 85 14.428 4.447 -8.288 1.00 0.00 N ATOM 0 H ASN A 85 13.282 4.919 -5.432 1.00 0.00 H new ATOM 0 HA ASN A 85 12.544 2.932 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.201 1.726 -6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.834 1.882 -7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.871 5.210 -8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.411 4.366 -8.273 1.00 0.00 H new ATOM 902 N LYS A 86 12.493 1.858 -3.782 1.00 0.00 N ATOM 903 CA LYS A 86 12.207 0.856 -2.722 1.00 0.00 C ATOM 904 C LYS A 86 10.782 1.017 -2.153 1.00 0.00 C ATOM 905 O LYS A 86 10.257 2.126 -2.142 1.00 0.00 O ATOM 906 CB LYS A 86 13.261 0.923 -1.593 1.00 0.00 C ATOM 907 CG LYS A 86 13.297 2.268 -0.859 1.00 0.00 C ATOM 908 CD LYS A 86 14.687 2.757 -0.446 1.00 0.00 C ATOM 909 CE LYS A 86 14.519 4.106 0.258 1.00 0.00 C ATOM 910 NZ LYS A 86 15.752 4.896 0.371 1.00 0.00 N ATOM 0 H LYS A 86 11.777 2.581 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 86 12.266 -0.129 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.058 0.131 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.246 0.724 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.841 3.023 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.678 2.191 0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.164 2.036 0.218 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.331 2.860 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.776 4.693 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.122 3.932 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.533 5.903 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 16.166 4.760 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.431 4.585 -0.353 1.00 0.00 H new ATOM 915 N ILE A 87 10.114 -0.123 -1.984 1.00 0.00 N ATOM 916 CA ILE A 87 8.822 -0.298 -1.271 1.00 0.00 C ATOM 917 C ILE A 87 8.721 -1.759 -0.784 1.00 0.00 C ATOM 918 O ILE A 87 9.224 -2.684 -1.422 1.00 0.00 O ATOM 919 CB ILE A 87 7.581 0.102 -2.118 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.251 -0.055 -1.352 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.506 -0.678 -3.434 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.986 0.458 -2.056 1.00 0.00 C ATOM 0 H ILE A 87 10.467 -1.005 -2.356 1.00 0.00 H new ATOM 0 HA ILE A 87 8.815 0.386 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 87 7.719 1.160 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.110 -1.112 -1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.344 0.464 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.624 -0.366 -3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.399 -0.479 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.442 -1.745 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.120 0.290 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.088 1.525 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.851 -0.076 -2.996 1.00 0.00 H new ATOM 924 N LEU A 88 8.103 -1.918 0.379 1.00 0.00 N ATOM 925 CA LEU A 88 7.757 -3.244 0.931 1.00 0.00 C ATOM 926 C LEU A 88 6.255 -3.379 1.218 1.00 0.00 C ATOM 927 O LEU A 88 5.626 -2.408 1.632 1.00 0.00 O ATOM 928 CB LEU A 88 8.627 -3.584 2.151 1.00 0.00 C ATOM 929 CG LEU A 88 8.703 -2.521 3.256 1.00 0.00 C ATOM 930 CD1 LEU A 88 7.562 -2.661 4.269 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.063 -2.598 3.948 1.00 0.00 C ATOM 0 H LEU A 88 7.823 -1.139 0.975 1.00 0.00 H new ATOM 0 HA LEU A 88 7.982 -3.986 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.251 -4.507 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.640 -3.786 1.802 1.00 0.00 H new ATOM 0 HG LEU A 88 8.590 -1.541 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.656 -1.888 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.606 -2.551 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.611 -3.643 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.115 -1.843 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.192 -3.587 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.853 -2.419 3.219 1.00 0.00 H new ATOM 933 N LEU A 89 5.718 -4.541 0.857 1.00 0.00 N ATOM 934 CA LEU A 89 4.299 -4.901 1.065 1.00 0.00 C ATOM 935 C LEU A 89 4.109 -6.196 1.875 1.00 0.00 C ATOM 936 O LEU A 89 4.603 -7.254 1.486 1.00 0.00 O ATOM 937 CB LEU A 89 3.623 -5.011 -0.312 1.00 0.00 C ATOM 938 CG LEU A 89 2.132 -5.369 -0.278 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.323 -4.321 -1.042 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.902 -6.748 -0.898 1.00 0.00 C ATOM 0 H LEU A 89 6.257 -5.279 0.403 1.00 0.00 H new ATOM 0 HA LEU A 89 3.834 -4.117 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.741 -4.062 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.148 -5.765 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 89 1.804 -5.388 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.266 -4.584 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.467 -3.344 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.659 -4.287 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.839 -6.988 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.243 -6.743 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.460 -7.497 -0.336 1.00 0.00 H new ATOM 942 N THR A 90 3.338 -6.093 2.956 1.00 0.00 N ATOM 943 CA THR A 90 2.900 -7.259 3.764 1.00 0.00 C ATOM 944 C THR A 90 1.365 -7.359 3.752 1.00 0.00 C ATOM 945 O THR A 90 0.699 -6.352 3.555 1.00 0.00 O ATOM 946 CB THR A 90 3.357 -7.200 5.235 1.00 0.00 C ATOM 947 OG1 THR A 90 2.661 -6.172 5.946 1.00 0.00 O ATOM 948 CG2 THR A 90 4.874 -7.038 5.374 1.00 0.00 C ATOM 0 H THR A 90 2.991 -5.201 3.308 1.00 0.00 H new ATOM 0 HA THR A 90 3.366 -8.129 3.302 1.00 0.00 H new ATOM 0 HB THR A 90 3.104 -8.161 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.909 -5.297 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.141 -7.002 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.375 -7.883 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.187 -6.113 4.889 1.00 0.00 H new ATOM 951 N ILE A 91 0.839 -8.569 3.930 1.00 0.00 N ATOM 952 CA ILE A 91 -0.612 -8.853 4.044 1.00 0.00 C ATOM 953 C ILE A 91 -0.831 -9.634 5.353 1.00 0.00 C ATOM 954 O ILE A 91 -0.027 -10.493 5.726 1.00 0.00 O ATOM 955 CB ILE A 91 -1.148 -9.623 2.809 1.00 0.00 C ATOM 956 CG1 ILE A 91 -1.000 -8.775 1.531 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.615 -10.059 2.983 1.00 0.00 C ATOM 958 CD1 ILE A 91 -1.160 -9.550 0.214 1.00 0.00 C ATOM 0 H ILE A 91 1.414 -9.408 4.002 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.175 -7.920 4.071 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.544 -10.526 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.740 -7.975 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.018 -8.301 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.944 -10.594 2.092 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.700 -10.713 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.241 -9.179 3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.039 -8.867 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.403 -10.332 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.152 -10.001 0.175 1.00 0.00 H new ATOM 960 N MET A 92 -1.898 -9.244 6.040 1.00 0.00 N ATOM 961 CA MET A 92 -2.365 -9.847 7.302 1.00 0.00 C ATOM 962 C MET A 92 -3.892 -9.697 7.421 1.00 0.00 C ATOM 963 O MET A 92 -4.519 -9.010 6.617 1.00 0.00 O ATOM 964 CB MET A 92 -1.606 -9.163 8.449 1.00 0.00 C ATOM 965 CG MET A 92 -1.755 -9.853 9.805 1.00 0.00 C ATOM 966 SD MET A 92 -0.664 -9.109 11.066 1.00 0.00 S ATOM 967 CE MET A 92 -1.777 -9.104 12.455 1.00 0.00 C ATOM 0 H MET A 92 -2.489 -8.473 5.730 1.00 0.00 H new ATOM 0 HA MET A 92 -2.161 -10.917 7.338 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.548 -9.118 8.192 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.956 -8.135 8.538 1.00 0.00 H new ATOM 0 HG2 MET A 92 -2.792 -9.786 10.135 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.522 -10.913 9.702 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.273 -8.679 13.323 1.00 0.00 H new ATOM 0 HE2 MET A 92 -2.655 -8.505 12.215 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.085 -10.126 12.678 1.00 0.00 H new ATOM 969 N ASN A 93 -4.486 -10.516 8.284 1.00 0.00 N ATOM 970 CA ASN A 93 -5.935 -10.487 8.555 1.00 0.00 C ATOM 971 C ASN A 93 -6.242 -10.394 10.051 1.00 0.00 C ATOM 972 O ASN A 93 -5.822 -11.252 10.823 1.00 0.00 O ATOM 973 CB ASN A 93 -6.586 -11.741 7.979 1.00 0.00 C ATOM 974 CG ASN A 93 -6.938 -11.571 6.504 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.039 -11.190 6.162 1.00 0.00 O ATOM 976 ND2 ASN A 93 -6.041 -11.896 5.601 1.00 0.00 N ATOM 0 H ASN A 93 -3.983 -11.223 8.820 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.341 -9.595 8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.910 -12.588 8.096 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.489 -11.974 8.544 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.268 -11.829 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.117 -12.216 5.892 1.00 0.00 H new ATOM 980 N THR A 94 -7.081 -9.423 10.398 1.00 0.00 N ATOM 981 CA THR A 94 -7.559 -9.207 11.785 1.00 0.00 C ATOM 982 C THR A 94 -8.366 -10.408 12.322 1.00 0.00 C ATOM 983 O THR A 94 -8.540 -10.552 13.530 1.00 0.00 O ATOM 984 CB THR A 94 -8.427 -7.942 11.906 1.00 0.00 C ATOM 985 OG1 THR A 94 -8.123 -7.000 10.869 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.205 -7.267 13.264 1.00 0.00 C ATOM 0 H THR A 94 -7.459 -8.752 9.729 1.00 0.00 H new ATOM 0 HA THR A 94 -6.657 -9.087 12.385 1.00 0.00 H new ATOM 0 HB THR A 94 -9.467 -8.253 11.811 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.691 -6.208 10.970 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.827 -6.374 13.332 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.474 -7.959 14.062 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.156 -6.987 13.364 1.00 0.00 H new ATOM 989 N GLU A 95 -8.943 -11.186 11.405 1.00 0.00 N ATOM 990 CA GLU A 95 -9.710 -12.404 11.730 1.00 0.00 C ATOM 991 C GLU A 95 -9.158 -13.713 11.123 1.00 0.00 C ATOM 992 O GLU A 95 -9.889 -14.693 10.990 1.00 0.00 O ATOM 993 CB GLU A 95 -11.167 -12.171 11.310 1.00 0.00 C ATOM 994 CG GLU A 95 -12.120 -12.233 12.507 1.00 0.00 C ATOM 995 CD GLU A 95 -12.224 -13.639 13.110 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.117 -14.384 12.652 1.00 0.00 O ATOM 997 OE2 GLU A 95 -11.456 -13.911 14.059 1.00 0.00 O ATOM 0 H GLU A 95 -8.894 -10.992 10.405 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.622 -12.562 12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.255 -11.199 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.458 -12.921 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.779 -11.538 13.274 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.111 -11.902 12.195 1.00 0.00 H new ATOM 999 N ALA A 96 -7.844 -13.747 10.881 1.00 0.00 N ATOM 1000 CA ALA A 96 -7.125 -14.903 10.297 1.00 0.00 C ATOM 1001 C ALA A 96 -5.599 -14.721 10.472 1.00 0.00 C ATOM 1002 O ALA A 96 -5.171 -13.970 11.346 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.539 -15.100 8.825 1.00 0.00 C ATOM 0 H ALA A 96 -7.230 -12.959 11.087 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.400 -15.815 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.004 -15.953 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.612 -15.283 8.770 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.294 -14.204 8.255 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.789 -15.357 9.630 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.321 -15.292 9.734 1.00 0.00 C ATOM 1007 C LEU A 97 -2.750 -14.679 8.451 1.00 0.00 C ATOM 1008 O LEU A 97 -3.235 -14.958 7.354 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.764 -16.703 9.940 1.00 0.00 C ATOM 1010 CG LEU A 97 -1.356 -16.674 10.542 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -1.390 -17.188 11.983 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -0.385 -17.485 9.683 1.00 0.00 C ATOM 0 H LEU A 97 -5.123 -15.932 8.857 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.036 -14.671 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.429 -17.264 10.596 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.741 -17.228 8.985 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.999 -15.644 10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.384 -17.163 12.402 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.047 -16.555 12.580 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.763 -18.212 11.995 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.609 -17.452 10.128 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.724 -18.520 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.348 -17.063 8.679 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.978 -13.612 8.674 1.00 0.00 N ATOM 1015 CA GLY A 98 -1.192 -12.974 7.603 1.00 0.00 C ATOM 1016 C GLY A 98 0.013 -13.826 7.205 1.00 0.00 C ATOM 1017 O GLY A 98 -0.138 -14.999 6.872 1.00 0.00 O ATOM 0 H GLY A 98 -1.877 -13.168 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.827 -12.812 6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.851 -11.994 7.936 1.00 0.00 H new ATOM 1019 N THR A 99 1.117 -13.114 7.006 1.00 0.00 N ATOM 1020 CA THR A 99 2.472 -13.689 6.818 1.00 0.00 C ATOM 1021 C THR A 99 2.593 -14.628 5.600 1.00 0.00 C ATOM 1022 O THR A 99 2.314 -15.825 5.635 1.00 0.00 O ATOM 1023 CB THR A 99 3.054 -14.309 8.108 1.00 0.00 C ATOM 1024 OG1 THR A 99 2.279 -15.406 8.592 1.00 0.00 O ATOM 1025 CG2 THR A 99 3.179 -13.264 9.224 1.00 0.00 C ATOM 0 H THR A 99 1.109 -12.095 6.968 1.00 0.00 H new ATOM 0 HA THR A 99 3.103 -12.832 6.581 1.00 0.00 H new ATOM 0 HB THR A 99 4.042 -14.679 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.017 -15.978 7.841 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.591 -13.733 10.117 1.00 0.00 H new ATOM 0 HG22 THR A 99 3.840 -12.461 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 99 2.195 -12.855 9.451 1.00 0.00 H new ATOM 1028 N SER A 100 3.070 -14.020 4.515 1.00 0.00 N ATOM 1029 CA SER A 100 3.189 -14.621 3.161 1.00 0.00 C ATOM 1030 C SER A 100 3.851 -13.712 2.105 1.00 0.00 C ATOM 1031 O SER A 100 4.956 -14.052 1.693 1.00 0.00 O ATOM 1032 CB SER A 100 1.885 -15.196 2.571 1.00 0.00 C ATOM 1033 OG SER A 100 1.779 -16.599 2.809 1.00 0.00 O ATOM 0 H SER A 100 3.401 -13.056 4.542 1.00 0.00 H new ATOM 0 HA SER A 100 3.857 -15.456 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.029 -14.685 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.854 -15.004 1.498 1.00 0.00 H new ATOM 0 HG SER A 100 1.916 -16.780 3.762 1.00 0.00 H new ATOM 1036 N PRO A 101 3.302 -12.529 1.753 1.00 0.00 N ATOM 1037 CA PRO A 101 3.825 -11.706 0.643 1.00 0.00 C ATOM 1038 C PRO A 101 5.234 -11.140 0.897 1.00 0.00 C ATOM 1039 O PRO A 101 6.157 -11.511 0.182 1.00 0.00 O ATOM 1040 CB PRO A 101 2.763 -10.633 0.408 1.00 0.00 C ATOM 1041 CG PRO A 101 2.218 -10.412 1.813 1.00 0.00 C ATOM 1042 CD PRO A 101 2.206 -11.806 2.435 1.00 0.00 C ATOM 0 HA PRO A 101 3.982 -12.308 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.190 -9.722 -0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.989 -10.970 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.848 -9.728 2.381 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.218 -9.978 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.371 -11.761 3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.248 -12.301 2.279 1.00 0.00 H new ATOM 1043 N ARG A 102 5.340 -10.151 1.795 1.00 0.00 N ATOM 1044 CA ARG A 102 6.600 -9.488 2.213 1.00 0.00 C ATOM 1045 C ARG A 102 7.571 -9.222 1.055 1.00 0.00 C ATOM 1046 O ARG A 102 8.746 -9.587 1.053 1.00 0.00 O ATOM 1047 CB ARG A 102 7.283 -10.088 3.460 1.00 0.00 C ATOM 1048 CG ARG A 102 7.079 -11.577 3.767 1.00 0.00 C ATOM 1049 CD ARG A 102 5.721 -11.794 4.438 1.00 0.00 C ATOM 1050 NE ARG A 102 5.860 -12.809 5.491 1.00 0.00 N ATOM 1051 CZ ARG A 102 5.788 -12.570 6.801 1.00 0.00 C ATOM 1052 NH1 ARG A 102 5.551 -11.361 7.297 1.00 0.00 N ATOM 1053 NH2 ARG A 102 6.108 -13.530 7.654 1.00 0.00 N ATOM 0 H ARG A 102 4.523 -9.770 2.273 1.00 0.00 H new ATOM 0 HA ARG A 102 6.265 -8.507 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 102 8.355 -9.914 3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.943 -9.522 4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.135 -12.157 2.846 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.877 -11.935 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 102 5.358 -10.858 4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.985 -12.115 3.701 1.00 0.00 H new ATOM 0 HE ARG A 102 6.024 -13.772 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.416 -10.569 6.668 1.00 0.00 H new ATOM 0 HH12 ARG A 102 5.504 -11.224 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.406 -14.442 7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.057 -13.358 8.658 1.00 0.00 H new ATOM 1060 N MET A 103 7.044 -8.408 0.149 1.00 0.00 N ATOM 1061 CA MET A 103 7.676 -8.154 -1.151 1.00 0.00 C ATOM 1062 C MET A 103 8.350 -6.779 -1.166 1.00 0.00 C ATOM 1063 O MET A 103 7.729 -5.764 -0.846 1.00 0.00 O ATOM 1064 CB MET A 103 6.614 -8.265 -2.246 1.00 0.00 C ATOM 1065 CG MET A 103 7.197 -8.760 -3.573 1.00 0.00 C ATOM 1066 SD MET A 103 7.648 -10.536 -3.577 1.00 0.00 S ATOM 1067 CE MET A 103 9.365 -10.483 -3.106 1.00 0.00 C ATOM 0 H MET A 103 6.169 -7.904 0.289 1.00 0.00 H new ATOM 0 HA MET A 103 8.454 -8.895 -1.333 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.829 -8.947 -1.920 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.148 -7.291 -2.397 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.472 -8.579 -4.366 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.083 -8.171 -3.810 1.00 0.00 H new ATOM 0 HE1 MET A 103 9.916 -11.248 -3.653 1.00 0.00 H new ATOM 0 HE2 MET A 103 9.777 -9.501 -3.341 1.00 0.00 H new ATOM 0 HE3 MET A 103 9.454 -10.667 -2.035 1.00 0.00 H new ATOM 1069 N THR A 104 9.655 -6.836 -1.411 1.00 0.00 N ATOM 1070 CA THR A 104 10.541 -5.656 -1.465 1.00 0.00 C ATOM 1071 C THR A 104 10.960 -5.355 -2.910 1.00 0.00 C ATOM 1072 O THR A 104 12.016 -5.739 -3.412 1.00 0.00 O ATOM 1073 CB THR A 104 11.769 -5.828 -0.558 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.423 -7.071 -0.831 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.397 -5.730 0.923 1.00 0.00 C ATOM 0 H THR A 104 10.145 -7.714 -1.582 1.00 0.00 H new ATOM 0 HA THR A 104 9.977 -4.802 -1.089 1.00 0.00 H new ATOM 0 HB THR A 104 12.458 -5.013 -0.778 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.651 -7.119 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.292 -5.857 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 104 10.957 -4.753 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.677 -6.510 1.170 1.00 0.00 H new ATOM 1078 N PHE A 105 10.097 -4.564 -3.524 1.00 0.00 N ATOM 1079 CA PHE A 105 10.197 -4.151 -4.935 1.00 0.00 C ATOM 1080 C PHE A 105 10.617 -2.681 -5.037 1.00 0.00 C ATOM 1081 O PHE A 105 10.290 -1.868 -4.175 1.00 0.00 O ATOM 1082 CB PHE A 105 8.897 -4.426 -5.720 1.00 0.00 C ATOM 1083 CG PHE A 105 7.583 -4.636 -4.946 1.00 0.00 C ATOM 1084 CD1 PHE A 105 7.263 -3.917 -3.801 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.699 -5.613 -5.390 1.00 0.00 C ATOM 1086 CE1 PHE A 105 6.078 -4.142 -3.116 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.519 -5.861 -4.698 1.00 0.00 C ATOM 1088 CZ PHE A 105 5.205 -5.123 -3.564 1.00 0.00 C ATOM 0 H PHE A 105 9.281 -4.174 -3.052 1.00 0.00 H new ATOM 0 HA PHE A 105 10.971 -4.761 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.745 -3.592 -6.405 1.00 0.00 H new ATOM 0 HB3 PHE A 105 9.064 -5.314 -6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.951 -3.168 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.930 -6.183 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 105 5.837 -3.558 -2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.844 -6.630 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.284 -5.312 -3.033 1.00 0.00 H new ATOM 1095 N ILE A 106 11.483 -2.407 -6.004 1.00 0.00 N ATOM 1096 CA ILE A 106 12.064 -1.056 -6.149 1.00 0.00 C ATOM 1097 C ILE A 106 11.550 -0.337 -7.411 1.00 0.00 C ATOM 1098 O ILE A 106 11.211 -0.980 -8.406 1.00 0.00 O ATOM 1099 CB ILE A 106 13.607 -1.078 -6.013 1.00 0.00 C ATOM 1100 CG1 ILE A 106 14.346 -1.646 -7.230 1.00 0.00 C ATOM 1101 CG2 ILE A 106 14.030 -1.813 -4.726 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.792 -1.135 -7.311 1.00 0.00 C ATOM 0 H ILE A 106 11.802 -3.084 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 106 11.710 -0.449 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 106 13.908 -0.032 -5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.348 -2.735 -7.178 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.812 -1.371 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.117 -1.817 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.608 -1.303 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.665 -2.840 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 106 16.280 -1.561 -8.187 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.790 -0.048 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 106 16.334 -1.433 -6.413 1.00 0.00 H new ATOM 1104 N LYS A 107 11.341 0.973 -7.260 1.00 0.00 N ATOM 1105 CA LYS A 107 10.744 1.891 -8.262 1.00 0.00 C ATOM 1106 C LYS A 107 11.686 2.091 -9.459 1.00 0.00 C ATOM 1107 O LYS A 107 12.410 3.082 -9.530 1.00 0.00 O ATOM 1108 CB LYS A 107 10.434 3.211 -7.532 1.00 0.00 C ATOM 1109 CG LYS A 107 9.343 4.105 -8.135 1.00 0.00 C ATOM 1110 CD LYS A 107 9.855 5.006 -9.260 1.00 0.00 C ATOM 1111 CE LYS A 107 8.864 6.136 -9.543 1.00 0.00 C ATOM 1112 NZ LYS A 107 9.330 7.004 -10.637 1.00 0.00 N ATOM 0 H LYS A 107 11.592 1.456 -6.398 1.00 0.00 H new ATOM 0 HA LYS A 107 9.827 1.475 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.147 2.972 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.355 3.792 -7.478 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.539 3.477 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.915 4.726 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.823 5.425 -8.985 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.009 4.416 -10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.893 5.713 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.722 6.731 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.510 7.414 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.918 7.768 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.892 6.444 -11.309 1.00 0.00 H new ATOM 1117 N HIS A 108 11.728 1.031 -10.264 1.00 0.00 N ATOM 1118 CA HIS A 108 12.536 0.773 -11.482 1.00 0.00 C ATOM 1119 C HIS A 108 13.637 -0.244 -11.146 1.00 0.00 C ATOM 1120 O HIS A 108 14.264 -0.175 -10.094 1.00 0.00 O ATOM 1121 CB HIS A 108 13.191 1.992 -12.157 1.00 0.00 C ATOM 1122 CG HIS A 108 12.181 3.071 -12.561 1.00 0.00 C ATOM 1123 ND1 HIS A 108 10.934 2.864 -12.979 1.00 0.00 N ATOM 1124 CD2 HIS A 108 12.319 4.371 -12.314 1.00 0.00 C ATOM 1125 CE1 HIS A 108 10.295 4.032 -12.951 1.00 0.00 C ATOM 1126 NE2 HIS A 108 11.149 4.961 -12.530 1.00 0.00 N ATOM 0 H HIS A 108 11.129 0.230 -10.065 1.00 0.00 H new ATOM 0 HA HIS A 108 11.812 0.406 -12.210 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.924 2.426 -11.477 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.734 1.661 -13.042 1.00 0.00 H new ATOM 0 HD1 HIS A 108 10.538 1.970 -13.269 1.00 0.00 H new ATOM 0 HD2 HIS A 108 13.226 4.862 -11.993 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.263 4.196 -13.223 1.00 0.00 H new ATOM 1129 N LYS A 109 13.773 -1.235 -12.027 1.00 0.00 N ATOM 1130 CA LYS A 109 14.788 -2.318 -11.952 1.00 0.00 C ATOM 1131 C LYS A 109 14.699 -3.270 -10.738 1.00 0.00 C ATOM 1132 O LYS A 109 13.850 -4.186 -10.826 1.00 99.99 O ATOM 1133 CG LYS A 109 16.585 -1.416 -13.543 1.00 0.00 C ATOM 1134 CD LYS A 109 17.065 -2.682 -14.261 1.00 0.00 C ATOM 1135 CE LYS A 109 18.017 -2.339 -15.410 1.00 0.00 C ATOM 1136 NZ LYS A 109 19.215 -1.645 -14.909 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.475 -3.116 -9.770 1.00 99.99 O ATOM 0 H LYS A 109 13.167 -1.321 -12.843 1.00 0.00 H new ATOM 0 HD2 LYS A 109 17.569 -3.337 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 109 16.207 -3.232 -14.648 1.00 0.00 H new ATOM 0 HE2 LYS A 109 18.311 -3.251 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 109 17.504 -1.709 -16.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 19.919 -1.573 -15.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 18.954 -0.691 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 19.619 -2.180 -14.114 1.00 0.00 H new