USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 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 91 HIS : no HD1:sc= 1.11 K(o=0.49,f=-8.6!) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.623 K(o=0.49,f=-4.1!) USER MOD Set 2.1: A 30 ASN : amide:sc= 0.304 K(o=1.4,f=-0.47) USER MOD Set 2.2: A 40 TYR OH : rot -6:sc= 1.13 USER MOD Set 2.3: A 89 MET CE :methyl -120:sc=-4.29e-05 (180deg=-0.181) USER MOD Set 3.1: A 82 HIS : no HD1:sc= -0.383 K(o=0.036,f=-3!) USER MOD Set 3.2: A 88 SER OG : rot 58:sc= 0.42 USER MOD Set 4.1: A 62 ASN : amide:sc= 1.42 K(o=2.1,f=-12!) USER MOD Set 4.2: A 64 THR OG1 : rot -30:sc= 0.723 USER MOD Set 5.1: A 46 HIS : no HD1:sc= -1.28 K(o=-0.47,f=-2!) USER MOD Set 5.2: A 55 GLN : amide:sc= 0.374 K(o=-0.47,f=-5.5) USER MOD Set 5.3: A 58 CYS SG : rot -132:sc= -0.654 USER MOD Set 5.4: A 100 GLN : amide:sc= 1.1 K(o=-0.47,f=-4.7!) USER MOD Single : A 3 LYS NZ :NH3+ 174:sc= 1.88 (180deg=1.82) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0.889 (180deg=0.874) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0303 USER MOD Single : A 9 MET CE :methyl -177:sc= -0.618 (180deg=-0.645) USER MOD Single : A 11 ASN : amide:sc= -0.0243 K(o=-0.024,f=-1.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.43 K(o=1.4,f=-5.3!) USER MOD Single : A 41 ASN : amide:sc= -1.25! C(o=-1.3!,f=-7.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 169:sc= -0.205 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 61:sc= 0.226 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.163 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0395 K(o=-0.039,f=-3.5!) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 80 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 87 MET CE :methyl 152:sc= -0.154 (180deg=-1.03) USER MOD Single : A 96 THR OG1 : rot 67:sc= 0.667 USER MOD Single : A 98 SER OG : rot 180:sc= 0.229 USER MOD Single : A 99 CYS SG : rot 72:sc= 0.427 USER MOD Single : A 105 HIS : no HE2:sc= 0.494 K(o=0.49,f=-5.5!) USER MOD Single : A 108 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.3!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.719 K(o=0.72,f=-0.82) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 173:sc= -0.304 (180deg=-0.508) USER MOD Single : A 130 THR OG1 : rot -72:sc= 0.767 USER MOD Single : A 131 MET CE :methyl -142:sc= -0.0167 (180deg=-0.828) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.477 K(o=0.48,f=-1.4) USER MOD Single : A 137 MET CE :methyl -147:sc= -0.0608 (180deg=-0.201) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 177:sc= 0.885 (180deg=0.878) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -3.899 1.088 -13.753 1.00 0.00 N ATOM 19 CA ALA A 2 -4.180 1.029 -12.323 1.00 0.00 C ATOM 20 C ALA A 2 -2.931 1.330 -11.504 1.00 0.00 C ATOM 21 O ALA A 2 -1.813 1.276 -12.017 1.00 0.00 O ATOM 22 CB ALA A 2 -4.740 -0.337 -11.951 1.00 0.00 C ATOM 0 HA ALA A 2 -4.925 1.791 -12.094 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.945 -0.367 -10.881 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.663 -0.514 -12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.013 -1.109 -12.203 1.00 0.00 H new ATOM 28 N LYS A 3 -3.129 1.646 -10.229 1.00 0.00 N ATOM 29 CA LYS A 3 -2.020 1.965 -9.339 1.00 0.00 C ATOM 30 C LYS A 3 -1.517 0.722 -8.615 1.00 0.00 C ATOM 31 O LYS A 3 -2.301 -0.030 -8.035 1.00 0.00 O ATOM 32 CB LYS A 3 -2.438 3.031 -8.324 1.00 0.00 C ATOM 33 CG LYS A 3 -2.873 4.353 -8.942 1.00 0.00 C ATOM 34 CD LYS A 3 -1.720 5.027 -9.672 1.00 0.00 C ATOM 35 CE LYS A 3 -2.139 6.374 -10.241 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.014 7.058 -10.936 1.00 0.00 N ATOM 0 H LYS A 3 -4.048 1.688 -9.789 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.206 2.356 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.257 2.639 -7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.604 3.217 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.695 4.179 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.250 5.015 -8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.883 5.163 -8.987 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.370 4.382 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.964 6.232 -10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.508 7.009 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.364 7.922 -11.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.279 7.308 -10.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.612 6.422 -11.654 1.00 0.00 H new ATOM 50 N LYS A 4 -0.207 0.510 -8.654 1.00 0.00 N ATOM 51 CA LYS A 4 0.407 -0.624 -7.974 1.00 0.00 C ATOM 52 C LYS A 4 1.764 -0.249 -7.391 1.00 0.00 C ATOM 53 O LYS A 4 2.581 0.388 -8.056 1.00 0.00 O ATOM 54 CB LYS A 4 0.555 -1.807 -8.931 1.00 0.00 C ATOM 55 CG LYS A 4 1.089 -3.077 -8.283 1.00 0.00 C ATOM 56 CD LYS A 4 1.098 -4.238 -9.267 1.00 0.00 C ATOM 57 CE LYS A 4 1.721 -5.482 -8.651 1.00 0.00 C ATOM 58 NZ LYS A 4 1.678 -6.644 -9.580 1.00 0.00 N ATOM 0 H LYS A 4 0.452 1.110 -9.150 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.248 -0.914 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.416 -2.022 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.222 -1.520 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.100 -2.902 -7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.475 -3.334 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.078 -4.458 -9.582 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.654 -3.955 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.756 -5.273 -8.379 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.194 -5.734 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.172 -7.451 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.688 -6.903 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.144 -6.391 -10.475 1.00 0.00 H new ATOM 72 N GLY A 5 1.998 -0.646 -6.145 1.00 0.00 N ATOM 73 CA GLY A 5 3.177 -0.206 -5.409 1.00 0.00 C ATOM 74 C GLY A 5 3.960 -1.392 -4.863 1.00 0.00 C ATOM 75 O GLY A 5 3.472 -2.522 -4.860 1.00 0.00 O ATOM 0 H GLY A 5 1.386 -1.273 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.817 0.386 -6.063 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.875 0.443 -4.587 1.00 0.00 H new ATOM 79 N TYR A 6 5.177 -1.129 -4.400 1.00 0.00 N ATOM 80 CA TYR A 6 5.998 -2.158 -3.772 1.00 0.00 C ATOM 81 C TYR A 6 6.902 -1.563 -2.701 1.00 0.00 C ATOM 82 O TYR A 6 7.361 -0.427 -2.823 1.00 0.00 O ATOM 83 CB TYR A 6 6.833 -2.892 -4.823 1.00 0.00 C ATOM 84 CG TYR A 6 7.964 -2.065 -5.392 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.206 -2.072 -4.774 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.760 -1.299 -6.530 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.240 -1.315 -5.292 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.794 -0.543 -7.048 1.00 0.00 C ATOM 89 CZ TYR A 6 10.029 -0.550 -6.434 1.00 0.00 C ATOM 90 OH TYR A 6 11.058 0.203 -6.950 1.00 0.00 O ATOM 0 H TYR A 6 5.618 -0.210 -4.448 1.00 0.00 H new ATOM 0 HA TYR A 6 5.330 -2.873 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.246 -3.797 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.180 -3.206 -5.637 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.365 -2.669 -3.888 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.793 -1.293 -7.011 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.207 -1.318 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.635 0.054 -7.934 1.00 0.00 H new ATOM 0 HH TYR A 6 10.747 0.678 -7.749 1.00 0.00 H new ATOM 100 N ILE A 7 7.155 -2.337 -1.651 1.00 0.00 N ATOM 101 CA ILE A 7 8.156 -1.974 -0.655 1.00 0.00 C ATOM 102 C ILE A 7 9.318 -2.958 -0.657 1.00 0.00 C ATOM 103 O ILE A 7 9.169 -4.111 -0.249 1.00 0.00 O ATOM 104 CB ILE A 7 7.535 -1.915 0.753 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.511 -0.780 0.838 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.618 -1.741 1.806 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.650 -0.826 2.079 1.00 0.00 C ATOM 0 H ILE A 7 6.680 -3.221 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 7 8.533 -0.986 -0.920 1.00 0.00 H new ATOM 0 HB ILE A 7 7.020 -2.857 0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.037 0.174 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.867 -0.817 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.161 -1.701 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.309 -2.582 1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.161 -0.814 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.950 0.009 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.095 -1.764 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.283 -0.757 2.964 1.00 0.00 H new ATOM 119 N LEU A 8 10.476 -2.498 -1.118 1.00 0.00 N ATOM 120 CA LEU A 8 11.702 -3.282 -1.029 1.00 0.00 C ATOM 121 C LEU A 8 12.409 -3.051 0.301 1.00 0.00 C ATOM 122 O LEU A 8 12.758 -1.921 0.641 1.00 0.00 O ATOM 123 CB LEU A 8 12.645 -2.924 -2.184 1.00 0.00 C ATOM 124 CG LEU A 8 14.005 -3.636 -2.177 1.00 0.00 C ATOM 125 CD1 LEU A 8 13.798 -5.130 -2.386 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.889 -3.050 -3.268 1.00 0.00 C ATOM 0 H LEU A 8 10.591 -1.585 -1.558 1.00 0.00 H new ATOM 0 HA LEU A 8 11.430 -4.335 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.141 -3.151 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.819 -1.848 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 8 14.498 -3.488 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.764 -5.635 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.177 -5.527 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.305 -5.299 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.855 -3.555 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.411 -3.189 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.035 -1.985 -3.085 1.00 0.00 H new ATOM 138 N MET A 9 12.615 -4.129 1.051 1.00 0.00 N ATOM 139 CA MET A 9 13.238 -4.039 2.366 1.00 0.00 C ATOM 140 C MET A 9 14.752 -4.189 2.268 1.00 0.00 C ATOM 141 O MET A 9 15.265 -4.811 1.338 1.00 0.00 O ATOM 142 CB MET A 9 12.658 -5.099 3.299 1.00 0.00 C ATOM 143 CG MET A 9 11.140 -5.078 3.408 1.00 0.00 C ATOM 144 SD MET A 9 10.508 -3.504 4.021 1.00 0.00 S ATOM 145 CE MET A 9 11.071 -3.551 5.720 1.00 0.00 C ATOM 0 H MET A 9 12.359 -5.076 0.770 1.00 0.00 H new ATOM 0 HA MET A 9 13.023 -3.052 2.776 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.971 -6.083 2.950 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.083 -4.962 4.293 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.707 -5.282 2.429 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.816 -5.879 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.711 -2.667 6.247 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.685 -4.446 6.207 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.161 -3.568 5.742 1.00 0.00 H new ATOM 155 N GLU A 10 15.461 -3.614 3.234 1.00 0.00 N ATOM 156 CA GLU A 10 16.913 -3.732 3.292 1.00 0.00 C ATOM 157 C GLU A 10 17.341 -5.182 3.482 1.00 0.00 C ATOM 158 O GLU A 10 18.473 -5.551 3.170 1.00 0.00 O ATOM 159 CB GLU A 10 17.474 -2.871 4.426 1.00 0.00 C ATOM 160 CG GLU A 10 17.516 -1.381 4.122 1.00 0.00 C ATOM 161 CD GLU A 10 18.584 -1.016 3.129 1.00 0.00 C ATOM 162 OE1 GLU A 10 19.358 -1.873 2.775 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.628 0.122 2.724 1.00 0.00 O ATOM 0 H GLU A 10 15.053 -3.061 3.988 1.00 0.00 H new ATOM 0 HA GLU A 10 17.314 -3.378 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.870 -3.030 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.483 -3.211 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.546 -1.067 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.685 -0.831 5.048 1.00 0.00 H new ATOM 170 N ASN A 11 16.429 -5.999 3.997 1.00 0.00 N ATOM 171 CA ASN A 11 16.716 -7.407 4.247 1.00 0.00 C ATOM 172 C ASN A 11 16.406 -8.259 3.022 1.00 0.00 C ATOM 173 O ASN A 11 16.504 -9.485 3.067 1.00 0.00 O ATOM 174 CB ASN A 11 15.940 -7.903 5.453 1.00 0.00 C ATOM 175 CG ASN A 11 16.449 -7.327 6.745 1.00 0.00 C ATOM 176 OD1 ASN A 11 17.628 -6.972 6.859 1.00 0.00 O ATOM 177 ND2 ASN A 11 15.583 -7.226 7.721 1.00 0.00 N ATOM 0 H ASN A 11 15.484 -5.710 4.250 1.00 0.00 H new ATOM 0 HA ASN A 11 17.781 -7.500 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.888 -7.645 5.334 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.999 -8.991 5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.871 -6.842 8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.620 -7.532 7.582 1.00 0.00 H new ATOM 184 N GLY A 12 16.032 -7.601 1.930 1.00 0.00 N ATOM 185 CA GLY A 12 15.779 -8.290 0.670 1.00 0.00 C ATOM 186 C GLY A 12 14.313 -8.684 0.542 1.00 0.00 C ATOM 187 O GLY A 12 13.921 -9.349 -0.416 1.00 0.00 O ATOM 0 H GLY A 12 15.897 -6.591 1.892 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.059 -7.645 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.404 -9.181 0.608 1.00 0.00 H new ATOM 191 N GLY A 13 13.507 -8.268 1.514 1.00 0.00 N ATOM 192 CA GLY A 13 12.074 -8.535 1.487 1.00 0.00 C ATOM 193 C GLY A 13 11.393 -7.771 0.358 1.00 0.00 C ATOM 194 O GLY A 13 11.779 -6.648 0.034 1.00 0.00 O ATOM 0 H GLY A 13 13.823 -7.744 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.903 -9.604 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.630 -8.251 2.441 1.00 0.00 H new ATOM 198 N LYS A 14 10.378 -8.387 -0.237 1.00 0.00 N ATOM 199 CA LYS A 14 9.667 -7.784 -1.359 1.00 0.00 C ATOM 200 C LYS A 14 8.162 -7.790 -1.125 1.00 0.00 C ATOM 201 O LYS A 14 7.489 -8.786 -1.388 1.00 0.00 O ATOM 202 CB LYS A 14 10.001 -8.515 -2.660 1.00 0.00 C ATOM 203 CG LYS A 14 11.459 -8.408 -3.086 1.00 0.00 C ATOM 204 CD LYS A 14 11.670 -8.969 -4.484 1.00 0.00 C ATOM 205 CE LYS A 14 13.123 -8.848 -4.918 1.00 0.00 C ATOM 206 NZ LYS A 14 13.386 -9.569 -6.192 1.00 0.00 N ATOM 0 H LYS A 14 10.028 -9.305 0.039 1.00 0.00 H new ATOM 0 HA LYS A 14 9.994 -6.747 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.745 -9.568 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.372 -8.118 -3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.772 -7.364 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.088 -8.947 -2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.368 -10.016 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.032 -8.438 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.379 -7.795 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.769 -9.246 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.387 -9.461 -6.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.166 -10.578 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.788 -9.172 -6.945 1.00 0.00 H new ATOM 220 N ILE A 15 7.640 -6.673 -0.631 1.00 0.00 N ATOM 221 CA ILE A 15 6.211 -6.543 -0.374 1.00 0.00 C ATOM 222 C ILE A 15 5.495 -5.902 -1.557 1.00 0.00 C ATOM 223 O ILE A 15 5.574 -4.691 -1.759 1.00 0.00 O ATOM 224 CB ILE A 15 5.954 -5.711 0.894 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.640 -6.354 2.102 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.460 -5.565 1.142 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.654 -5.478 3.335 1.00 0.00 C ATOM 0 H ILE A 15 8.186 -5.843 -0.400 1.00 0.00 H new ATOM 0 HA ILE A 15 5.815 -7.548 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 15 6.376 -4.717 0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.135 -7.290 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.666 -6.604 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.297 -4.974 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.997 -5.065 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.014 -6.551 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.157 -6.002 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.185 -4.552 3.117 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.630 -5.248 3.630 1.00 0.00 H new ATOM 239 N GLU A 16 4.797 -6.722 -2.335 1.00 0.00 N ATOM 240 CA GLU A 16 4.106 -6.243 -3.527 1.00 0.00 C ATOM 241 C GLU A 16 2.607 -6.130 -3.287 1.00 0.00 C ATOM 242 O GLU A 16 1.968 -7.080 -2.833 1.00 0.00 O ATOM 243 CB GLU A 16 4.375 -7.178 -4.710 1.00 0.00 C ATOM 244 CG GLU A 16 3.706 -6.754 -6.009 1.00 0.00 C ATOM 245 CD GLU A 16 4.037 -7.662 -7.161 1.00 0.00 C ATOM 246 OE1 GLU A 16 5.196 -7.797 -7.472 1.00 0.00 O ATOM 247 OE2 GLU A 16 3.130 -8.222 -7.730 1.00 0.00 O ATOM 0 H GLU A 16 4.695 -7.722 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 16 4.491 -5.250 -3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.451 -7.239 -4.872 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.035 -8.180 -4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.626 -6.736 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.012 -5.737 -6.255 1.00 0.00 H new ATOM 254 N PHE A 17 2.050 -4.964 -3.593 1.00 0.00 N ATOM 255 CA PHE A 17 0.660 -4.669 -3.266 1.00 0.00 C ATOM 256 C PHE A 17 0.012 -3.809 -4.342 1.00 0.00 C ATOM 257 O PHE A 17 0.684 -3.028 -5.015 1.00 0.00 O ATOM 258 CB PHE A 17 0.568 -3.959 -1.914 1.00 0.00 C ATOM 259 CG PHE A 17 1.442 -2.741 -1.809 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.759 -2.848 -1.385 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.949 -1.486 -2.134 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.563 -1.729 -1.288 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.752 -0.365 -2.038 1.00 0.00 C ATOM 264 CZ PHE A 17 3.058 -0.487 -1.615 1.00 0.00 C ATOM 0 H PHE A 17 2.541 -4.206 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 17 0.124 -5.617 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.467 -3.668 -1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.842 -4.661 -1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.160 -3.817 -1.128 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.074 -1.383 -2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.586 -1.826 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.356 0.606 -2.294 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.686 0.389 -1.539 1.00 0.00 H new ATOM 274 N GLU A 18 -1.300 -3.955 -4.499 1.00 0.00 N ATOM 275 CA GLU A 18 -2.048 -3.165 -5.470 1.00 0.00 C ATOM 276 C GLU A 18 -2.905 -2.112 -4.780 1.00 0.00 C ATOM 277 O GLU A 18 -3.389 -2.323 -3.668 1.00 0.00 O ATOM 278 CB GLU A 18 -2.932 -4.073 -6.328 1.00 0.00 C ATOM 279 CG GLU A 18 -2.165 -5.044 -7.213 1.00 0.00 C ATOM 280 CD GLU A 18 -3.062 -5.872 -8.090 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.257 -5.745 -7.973 1.00 0.00 O ATOM 282 OE2 GLU A 18 -2.551 -6.632 -8.879 1.00 0.00 O ATOM 0 H GLU A 18 -1.867 -4.614 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.328 -2.656 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.592 -4.642 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.567 -3.451 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.469 -4.485 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.568 -5.706 -6.585 1.00 0.00 H new ATOM 289 N LEU A 19 -3.088 -0.977 -5.445 1.00 0.00 N ATOM 290 CA LEU A 19 -3.804 0.149 -4.857 1.00 0.00 C ATOM 291 C LEU A 19 -5.161 0.347 -5.521 1.00 0.00 C ATOM 292 O LEU A 19 -5.384 -0.104 -6.644 1.00 0.00 O ATOM 293 CB LEU A 19 -2.973 1.433 -4.987 1.00 0.00 C ATOM 294 CG LEU A 19 -1.560 1.372 -4.394 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.845 2.691 -4.649 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.646 1.075 -2.904 1.00 0.00 C ATOM 0 H LEU A 19 -2.750 -0.812 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.966 -0.073 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.893 1.687 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.515 2.246 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.990 0.574 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.159 2.648 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.781 2.868 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.401 3.503 -4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.641 1.032 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.214 1.862 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.145 0.118 -2.752 1.00 0.00 H new ATOM 308 N PHE A 20 -6.064 1.023 -4.820 1.00 0.00 N ATOM 309 CA PHE A 20 -7.434 1.189 -5.292 1.00 0.00 C ATOM 310 C PHE A 20 -7.780 2.661 -5.472 1.00 0.00 C ATOM 311 O PHE A 20 -8.390 3.277 -4.598 1.00 0.00 O ATOM 312 CB PHE A 20 -8.418 0.544 -4.314 1.00 0.00 C ATOM 313 CG PHE A 20 -8.176 -0.921 -4.089 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.532 -1.854 -5.052 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.592 -1.370 -2.913 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.310 -3.202 -4.845 1.00 0.00 C ATOM 317 CE2 PHE A 20 -7.369 -2.717 -2.705 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.729 -3.633 -3.670 1.00 0.00 C ATOM 0 H PHE A 20 -5.872 1.466 -3.921 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.513 0.695 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.359 1.064 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.432 0.682 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.988 -1.523 -5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.309 -0.658 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.591 -3.918 -5.603 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.912 -3.053 -1.786 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.557 -4.687 -3.507 1.00 0.00 H new ATOM 328 N PRO A 21 -7.387 3.221 -6.611 1.00 0.00 N ATOM 329 CA PRO A 21 -7.633 4.630 -6.898 1.00 0.00 C ATOM 330 C PRO A 21 -9.098 4.876 -7.231 1.00 0.00 C ATOM 331 O PRO A 21 -9.523 6.020 -7.394 1.00 0.00 O ATOM 332 CB PRO A 21 -6.726 4.900 -8.103 1.00 0.00 C ATOM 333 CG PRO A 21 -6.637 3.583 -8.796 1.00 0.00 C ATOM 334 CD PRO A 21 -6.589 2.574 -7.679 1.00 0.00 C ATOM 0 HA PRO A 21 -7.422 5.286 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.147 5.665 -8.755 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.743 5.253 -7.791 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.497 3.417 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.748 3.524 -9.424 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.017 1.618 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.567 2.378 -7.356 1.00 0.00 H new ATOM 342 N ASN A 22 -9.867 3.797 -7.330 1.00 0.00 N ATOM 343 CA ASN A 22 -11.308 3.899 -7.529 1.00 0.00 C ATOM 344 C ASN A 22 -12.050 3.885 -6.199 1.00 0.00 C ATOM 345 O ASN A 22 -13.220 4.263 -6.126 1.00 0.00 O ATOM 346 CB ASN A 22 -11.802 2.781 -8.428 1.00 0.00 C ATOM 347 CG ASN A 22 -11.315 2.921 -9.844 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.051 4.032 -10.316 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.192 1.813 -10.531 1.00 0.00 N ATOM 0 H ASN A 22 -9.516 2.841 -7.276 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.513 4.852 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.471 1.823 -8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.892 2.769 -8.422 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.867 1.845 -11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.422 0.918 -10.100 1.00 0.00 H new ATOM 356 N GLU A 23 -11.364 3.446 -5.149 1.00 0.00 N ATOM 357 CA GLU A 23 -11.986 3.288 -3.840 1.00 0.00 C ATOM 358 C GLU A 23 -11.515 4.366 -2.873 1.00 0.00 C ATOM 359 O GLU A 23 -12.244 4.755 -1.959 1.00 0.00 O ATOM 360 CB GLU A 23 -11.675 1.903 -3.266 1.00 0.00 C ATOM 361 CG GLU A 23 -12.192 0.743 -4.106 1.00 0.00 C ATOM 362 CD GLU A 23 -11.880 -0.598 -3.505 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.293 -0.635 -2.451 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.231 -1.589 -4.102 1.00 0.00 O ATOM 0 H GLU A 23 -10.376 3.193 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.064 3.389 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.595 1.803 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.105 1.832 -2.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.271 0.840 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.755 0.799 -5.103 1.00 0.00 H new ATOM 371 N ALA A 24 -10.293 4.845 -3.077 1.00 0.00 N ATOM 372 CA ALA A 24 -9.760 5.948 -2.285 1.00 0.00 C ATOM 373 C ALA A 24 -8.623 6.651 -3.016 1.00 0.00 C ATOM 374 O ALA A 24 -7.459 6.533 -2.633 1.00 0.00 O ATOM 375 CB ALA A 24 -9.286 5.445 -0.930 1.00 0.00 C ATOM 0 H ALA A 24 -9.652 4.487 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.561 6.671 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.891 6.279 -0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.123 4.996 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.504 4.699 -1.072 1.00 0.00 H new ATOM 381 N PRO A 25 -8.968 7.383 -4.070 1.00 0.00 N ATOM 382 CA PRO A 25 -7.969 8.017 -4.923 1.00 0.00 C ATOM 383 C PRO A 25 -7.128 9.014 -4.136 1.00 0.00 C ATOM 384 O PRO A 25 -5.949 9.213 -4.431 1.00 0.00 O ATOM 385 CB PRO A 25 -8.818 8.713 -5.990 1.00 0.00 C ATOM 386 CG PRO A 25 -10.182 8.777 -5.389 1.00 0.00 C ATOM 387 CD PRO A 25 -10.299 7.504 -4.592 1.00 0.00 C ATOM 0 HA PRO A 25 -7.252 7.313 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.436 9.708 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.821 8.152 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.296 9.656 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.953 8.837 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.046 7.580 -3.802 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.577 6.653 -5.213 1.00 0.00 H new ATOM 395 N VAL A 26 -7.739 9.638 -3.135 1.00 0.00 N ATOM 396 CA VAL A 26 -7.057 10.642 -2.327 1.00 0.00 C ATOM 397 C VAL A 26 -5.955 10.013 -1.484 1.00 0.00 C ATOM 398 O VAL A 26 -4.822 10.497 -1.465 1.00 0.00 O ATOM 399 CB VAL A 26 -8.061 11.357 -1.404 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.333 12.277 -0.437 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.068 12.136 -2.237 1.00 0.00 C ATOM 0 H VAL A 26 -8.707 9.466 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.607 11.366 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.598 10.610 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.058 12.774 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.645 11.692 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.773 13.025 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.775 12.639 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.545 12.877 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.607 11.451 -2.891 1.00 0.00 H new ATOM 411 N THR A 27 -6.292 8.934 -0.787 1.00 0.00 N ATOM 412 CA THR A 27 -5.333 8.243 0.066 1.00 0.00 C ATOM 413 C THR A 27 -4.271 7.532 -0.761 1.00 0.00 C ATOM 414 O THR A 27 -3.103 7.476 -0.374 1.00 0.00 O ATOM 415 CB THR A 27 -6.040 7.227 0.984 1.00 0.00 C ATOM 416 OG1 THR A 27 -7.009 7.905 1.794 1.00 0.00 O ATOM 417 CG2 THR A 27 -5.031 6.530 1.884 1.00 0.00 C ATOM 0 H THR A 27 -7.223 8.518 -0.796 1.00 0.00 H new ATOM 0 HA THR A 27 -4.847 8.999 0.683 1.00 0.00 H new ATOM 0 HB THR A 27 -6.534 6.480 0.362 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.459 7.258 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.548 5.816 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.299 6.004 1.271 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.522 7.270 2.501 1.00 0.00 H new ATOM 425 N VAL A 28 -4.682 6.989 -1.903 1.00 0.00 N ATOM 426 CA VAL A 28 -3.745 6.403 -2.853 1.00 0.00 C ATOM 427 C VAL A 28 -2.747 7.438 -3.353 1.00 0.00 C ATOM 428 O VAL A 28 -1.550 7.167 -3.447 1.00 0.00 O ATOM 429 CB VAL A 28 -4.505 5.804 -4.052 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.541 5.474 -5.182 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.268 4.564 -3.614 1.00 0.00 C ATOM 0 H VAL A 28 -5.659 6.943 -2.192 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.198 5.614 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.219 6.540 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.094 5.052 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.032 6.383 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.805 4.750 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.803 4.146 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.568 3.824 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.981 4.832 -2.834 1.00 0.00 H new ATOM 441 N ALA A 29 -3.246 8.627 -3.676 1.00 0.00 N ATOM 442 CA ALA A 29 -2.391 9.727 -4.103 1.00 0.00 C ATOM 443 C ALA A 29 -1.386 10.097 -3.020 1.00 0.00 C ATOM 444 O ALA A 29 -0.204 10.298 -3.298 1.00 0.00 O ATOM 445 CB ALA A 29 -3.233 10.938 -4.478 1.00 0.00 C ATOM 0 H ALA A 29 -4.240 8.853 -3.650 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.835 9.398 -4.981 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.580 11.751 -4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.906 10.675 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.817 11.257 -3.614 1.00 0.00 H new ATOM 451 N ASN A 30 -1.863 10.184 -1.782 1.00 0.00 N ATOM 452 CA ASN A 30 -0.992 10.444 -0.642 1.00 0.00 C ATOM 453 C ASN A 30 0.197 9.493 -0.629 1.00 0.00 C ATOM 454 O ASN A 30 1.346 9.918 -0.747 1.00 0.00 O ATOM 455 CB ASN A 30 -1.770 10.345 0.657 1.00 0.00 C ATOM 456 CG ASN A 30 -0.910 10.588 1.866 1.00 0.00 C ATOM 457 OD1 ASN A 30 0.123 11.263 1.783 1.00 0.00 O ATOM 458 ND2 ASN A 30 -1.314 10.051 2.989 1.00 0.00 N ATOM 0 H ASN A 30 -2.849 10.078 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.607 11.459 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.585 11.069 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.223 9.356 0.731 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.770 10.182 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.173 9.501 3.012 1.00 0.00 H new ATOM 465 N PHE A 31 -0.086 8.202 -0.484 1.00 0.00 N ATOM 466 CA PHE A 31 0.962 7.193 -0.404 1.00 0.00 C ATOM 467 C PHE A 31 1.828 7.196 -1.657 1.00 0.00 C ATOM 468 O PHE A 31 3.056 7.173 -1.575 1.00 0.00 O ATOM 469 CB PHE A 31 0.353 5.804 -0.204 1.00 0.00 C ATOM 470 CG PHE A 31 1.372 4.713 -0.031 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.853 4.386 1.228 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.852 4.013 -1.127 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.790 3.384 1.388 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.789 3.009 -0.971 1.00 0.00 C ATOM 475 CZ PHE A 31 3.258 2.695 0.289 1.00 0.00 C ATOM 0 H PHE A 31 -1.034 7.831 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 31 1.591 7.438 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.295 5.825 0.672 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.277 5.567 -1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.491 4.921 2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.489 4.255 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.156 3.140 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 31 3.154 2.471 -1.833 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.990 1.911 0.414 1.00 0.00 H new ATOM 485 N GLU A 32 1.181 7.226 -2.817 1.00 0.00 N ATOM 486 CA GLU A 32 1.889 7.180 -4.091 1.00 0.00 C ATOM 487 C GLU A 32 2.918 8.298 -4.189 1.00 0.00 C ATOM 488 O GLU A 32 4.087 8.055 -4.489 1.00 0.00 O ATOM 489 CB GLU A 32 0.900 7.280 -5.254 1.00 0.00 C ATOM 490 CG GLU A 32 1.551 7.346 -6.629 1.00 0.00 C ATOM 491 CD GLU A 32 0.554 7.513 -7.741 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.618 7.581 -7.458 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.964 7.573 -8.877 1.00 0.00 O ATOM 0 H GLU A 32 0.166 7.282 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 32 2.413 6.226 -4.147 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.232 6.419 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.283 8.167 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.256 8.177 -6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.126 6.435 -6.797 1.00 0.00 H new ATOM 500 N LYS A 33 2.477 9.526 -3.935 1.00 0.00 N ATOM 501 CA LYS A 33 3.339 10.693 -4.072 1.00 0.00 C ATOM 502 C LYS A 33 4.525 10.618 -3.119 1.00 0.00 C ATOM 503 O LYS A 33 5.670 10.822 -3.520 1.00 0.00 O ATOM 504 CB LYS A 33 2.545 11.978 -3.824 1.00 0.00 C ATOM 505 CG LYS A 33 1.559 12.331 -4.929 1.00 0.00 C ATOM 506 CD LYS A 33 0.784 13.597 -4.595 1.00 0.00 C ATOM 507 CE LYS A 33 -0.221 13.936 -5.685 1.00 0.00 C ATOM 508 NZ LYS A 33 -0.979 15.178 -5.376 1.00 0.00 N ATOM 0 H LYS A 33 1.526 9.738 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 33 3.723 10.705 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.000 11.878 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.244 12.805 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.095 12.468 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.864 11.505 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.264 13.467 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.478 14.427 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.301 14.056 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.918 13.107 -5.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.653 15.373 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.498 15.055 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.317 15.975 -5.285 1.00 0.00 H new ATOM 522 N LEU A 34 4.243 10.323 -1.854 1.00 0.00 N ATOM 523 CA LEU A 34 5.288 10.200 -0.845 1.00 0.00 C ATOM 524 C LEU A 34 6.331 9.168 -1.256 1.00 0.00 C ATOM 525 O LEU A 34 7.533 9.426 -1.190 1.00 0.00 O ATOM 526 CB LEU A 34 4.676 9.808 0.506 1.00 0.00 C ATOM 527 CG LEU A 34 3.848 10.896 1.201 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.190 10.316 2.446 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.746 12.071 1.554 1.00 0.00 C ATOM 0 H LEU A 34 3.298 10.165 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 34 5.780 11.168 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.042 8.934 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.482 9.507 1.176 1.00 0.00 H new ATOM 0 HG LEU A 34 3.065 11.252 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.601 11.089 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.538 9.490 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.959 9.953 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.157 12.844 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.538 11.735 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.188 12.477 0.644 1.00 0.00 H new ATOM 541 N ALA A 35 5.864 7.998 -1.679 1.00 0.00 N ATOM 542 CA ALA A 35 6.756 6.923 -2.094 1.00 0.00 C ATOM 543 C ALA A 35 7.673 7.372 -3.224 1.00 0.00 C ATOM 544 O ALA A 35 8.890 7.201 -3.154 1.00 0.00 O ATOM 545 CB ALA A 35 5.952 5.702 -2.519 1.00 0.00 C ATOM 0 H ALA A 35 4.872 7.771 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 35 7.380 6.656 -1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.632 4.907 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.345 5.357 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.302 5.966 -3.353 1.00 0.00 H new ATOM 551 N ASN A 36 7.082 7.948 -4.265 1.00 0.00 N ATOM 552 CA ASN A 36 7.829 8.318 -5.461 1.00 0.00 C ATOM 553 C ASN A 36 8.682 9.557 -5.216 1.00 0.00 C ATOM 554 O ASN A 36 9.603 9.849 -5.980 1.00 0.00 O ATOM 555 CB ASN A 36 6.888 8.541 -6.631 1.00 0.00 C ATOM 556 CG ASN A 36 6.331 7.256 -7.177 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.894 6.177 -6.958 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.235 7.350 -7.886 1.00 0.00 N ATOM 0 H ASN A 36 6.087 8.169 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 36 8.498 7.493 -5.707 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.066 9.184 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.418 9.069 -7.424 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.811 6.512 -8.283 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.805 8.262 -8.041 1.00 0.00 H new ATOM 565 N GLU A 37 8.371 10.281 -4.147 1.00 0.00 N ATOM 566 CA GLU A 37 9.199 11.399 -3.713 1.00 0.00 C ATOM 567 C GLU A 37 10.306 10.934 -2.776 1.00 0.00 C ATOM 568 O GLU A 37 11.094 11.740 -2.280 1.00 0.00 O ATOM 569 CB GLU A 37 8.342 12.459 -3.017 1.00 0.00 C ATOM 570 CG GLU A 37 7.428 13.241 -3.951 1.00 0.00 C ATOM 571 CD GLU A 37 6.494 14.163 -3.218 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.535 14.183 -2.011 1.00 0.00 O ATOM 573 OE2 GLU A 37 5.739 14.848 -3.865 1.00 0.00 O ATOM 0 H GLU A 37 7.551 10.113 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 37 9.660 11.835 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.733 11.973 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.999 13.159 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.036 13.823 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.845 12.542 -4.550 1.00 0.00 H new ATOM 580 N GLY A 38 10.362 9.628 -2.538 1.00 0.00 N ATOM 581 CA GLY A 38 11.451 9.034 -1.770 1.00 0.00 C ATOM 582 C GLY A 38 11.258 9.259 -0.276 1.00 0.00 C ATOM 583 O GLY A 38 12.213 9.203 0.498 1.00 0.00 O ATOM 0 H GLY A 38 9.665 8.959 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.504 7.965 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.400 9.466 -2.086 1.00 0.00 H new ATOM 587 N PHE A 39 10.017 9.513 0.124 1.00 0.00 N ATOM 588 CA PHE A 39 9.695 9.744 1.527 1.00 0.00 C ATOM 589 C PHE A 39 9.827 8.463 2.340 1.00 0.00 C ATOM 590 O PHE A 39 10.570 8.414 3.321 1.00 0.00 O ATOM 591 CB PHE A 39 8.276 10.297 1.666 1.00 0.00 C ATOM 592 CG PHE A 39 7.847 10.516 3.089 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.208 11.671 3.767 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.084 9.568 3.753 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.815 11.872 5.077 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.688 9.767 5.060 1.00 0.00 C ATOM 597 CZ PHE A 39 7.055 10.922 5.724 1.00 0.00 C ATOM 0 H PHE A 39 9.216 9.564 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 39 10.405 10.475 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.210 11.242 1.127 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.579 9.608 1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.802 12.421 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.796 8.662 3.241 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.104 12.775 5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.092 9.021 5.564 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.747 11.080 6.747 1.00 0.00 H new ATOM 607 N TYR A 40 9.104 7.428 1.927 1.00 0.00 N ATOM 608 CA TYR A 40 9.099 6.160 2.647 1.00 0.00 C ATOM 609 C TYR A 40 10.444 5.454 2.529 1.00 0.00 C ATOM 610 O TYR A 40 10.842 4.705 3.421 1.00 0.00 O ATOM 611 CB TYR A 40 7.977 5.256 2.131 1.00 0.00 C ATOM 612 CG TYR A 40 6.589 5.760 2.457 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.191 5.895 3.778 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.712 6.088 1.433 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.924 6.356 4.075 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.444 6.548 1.730 1.00 0.00 C ATOM 617 CZ TYR A 40 4.051 6.681 3.056 1.00 0.00 C ATOM 618 OH TYR A 40 2.788 7.140 3.353 1.00 0.00 O ATOM 0 H TYR A 40 8.513 7.442 1.096 1.00 0.00 H new ATOM 0 HA TYR A 40 8.921 6.374 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.072 5.155 1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.101 4.260 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.873 5.639 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.021 5.984 0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.616 6.462 5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.760 6.803 0.934 1.00 0.00 H new ATOM 0 HH TYR A 40 2.638 7.081 4.320 1.00 0.00 H new ATOM 628 N ASN A 41 11.139 5.697 1.423 1.00 0.00 N ATOM 629 CA ASN A 41 12.496 5.196 1.246 1.00 0.00 C ATOM 630 C ASN A 41 13.412 5.685 2.360 1.00 0.00 C ATOM 631 O ASN A 41 13.742 6.869 2.431 1.00 0.00 O ATOM 632 CB ASN A 41 13.042 5.601 -0.111 1.00 0.00 C ATOM 633 CG ASN A 41 14.414 5.043 -0.372 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.162 4.738 0.564 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.759 4.904 -1.626 1.00 0.00 N ATOM 0 H ASN A 41 10.784 6.239 0.635 1.00 0.00 H new ATOM 0 HA ASN A 41 12.461 4.108 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.360 5.259 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.078 6.689 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.678 4.531 -1.864 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.109 5.169 -2.366 1.00 0.00 H new ATOM 642 N GLY A 42 13.823 4.767 3.228 1.00 0.00 N ATOM 643 CA GLY A 42 14.705 5.103 4.339 1.00 0.00 C ATOM 644 C GLY A 42 13.984 4.967 5.675 1.00 0.00 C ATOM 645 O GLY A 42 14.615 4.792 6.717 1.00 0.00 O ATOM 0 H GLY A 42 13.559 3.783 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.577 4.449 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.070 6.123 4.222 1.00 0.00 H new ATOM 649 N LEU A 43 12.659 5.049 5.637 1.00 0.00 N ATOM 650 CA LEU A 43 11.847 4.903 6.840 1.00 0.00 C ATOM 651 C LEU A 43 11.643 3.435 7.191 1.00 0.00 C ATOM 652 O LEU A 43 11.940 2.549 6.390 1.00 0.00 O ATOM 653 CB LEU A 43 10.486 5.584 6.646 1.00 0.00 C ATOM 654 CG LEU A 43 10.528 7.099 6.408 1.00 0.00 C ATOM 655 CD1 LEU A 43 9.107 7.638 6.313 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.293 7.770 7.539 1.00 0.00 C ATOM 0 H LEU A 43 12.123 5.216 4.785 1.00 0.00 H new ATOM 0 HA LEU A 43 12.377 5.382 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.983 5.116 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.874 5.390 7.527 1.00 0.00 H new ATOM 0 HG LEU A 43 11.041 7.315 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.137 8.714 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.589 7.155 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.577 7.431 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.323 8.846 7.370 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.795 7.565 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.310 7.380 7.572 1.00 0.00 H new ATOM 668 N THR A 44 11.133 3.185 8.392 1.00 0.00 N ATOM 669 CA THR A 44 11.098 1.836 8.944 1.00 0.00 C ATOM 670 C THR A 44 9.684 1.446 9.355 1.00 0.00 C ATOM 671 O THR A 44 8.762 2.257 9.287 1.00 0.00 O ATOM 672 CB THR A 44 12.042 1.707 10.153 1.00 0.00 C ATOM 673 OG1 THR A 44 11.527 2.475 11.249 1.00 0.00 O ATOM 674 CG2 THR A 44 13.434 2.208 9.800 1.00 0.00 C ATOM 0 H THR A 44 10.738 3.900 9.003 1.00 0.00 H new ATOM 0 HA THR A 44 11.435 1.158 8.160 1.00 0.00 H new ATOM 0 HB THR A 44 12.105 0.656 10.434 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.128 2.391 12.019 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.087 2.109 10.667 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.834 1.619 8.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.380 3.256 9.505 1.00 0.00 H new ATOM 682 N PHE A 45 9.520 0.197 9.779 1.00 0.00 N ATOM 683 CA PHE A 45 8.296 -0.231 10.445 1.00 0.00 C ATOM 684 C PHE A 45 8.469 -0.248 11.959 1.00 0.00 C ATOM 685 O PHE A 45 9.036 -1.187 12.518 1.00 0.00 O ATOM 686 CB PHE A 45 7.881 -1.621 9.958 1.00 0.00 C ATOM 687 CG PHE A 45 7.392 -1.644 8.538 1.00 0.00 C ATOM 688 CD1 PHE A 45 6.056 -1.426 8.245 1.00 0.00 C ATOM 689 CD2 PHE A 45 8.272 -1.884 7.492 1.00 0.00 C ATOM 690 CE1 PHE A 45 5.605 -1.449 6.939 1.00 0.00 C ATOM 691 CE2 PHE A 45 7.824 -1.905 6.184 1.00 0.00 C ATOM 692 CZ PHE A 45 6.490 -1.688 5.908 1.00 0.00 C ATOM 0 H PHE A 45 10.220 -0.537 9.673 1.00 0.00 H new ATOM 0 HA PHE A 45 7.514 0.486 10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.731 -2.297 10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.096 -2.005 10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.358 -1.236 9.047 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.317 -2.056 7.702 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.560 -1.280 6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.519 -2.091 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.139 -1.705 4.887 1.00 0.00 H new ATOM 702 N HIS A 46 7.976 0.796 12.617 1.00 0.00 N ATOM 703 CA HIS A 46 8.315 1.051 14.013 1.00 0.00 C ATOM 704 C HIS A 46 7.482 0.186 14.949 1.00 0.00 C ATOM 705 O HIS A 46 7.826 0.009 16.118 1.00 0.00 O ATOM 706 CB HIS A 46 8.111 2.530 14.357 1.00 0.00 C ATOM 707 CG HIS A 46 6.719 3.020 14.102 1.00 0.00 C ATOM 708 ND1 HIS A 46 6.188 3.123 12.834 1.00 0.00 N ATOM 709 CD2 HIS A 46 5.752 3.437 14.952 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.951 3.581 12.915 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.663 3.780 14.189 1.00 0.00 N ATOM 0 H HIS A 46 7.340 1.480 12.206 1.00 0.00 H new ATOM 0 HA HIS A 46 9.366 0.795 14.148 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.355 2.687 15.408 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.810 3.129 13.774 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.823 3.490 16.028 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.288 3.762 12.082 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.775 4.132 14.548 1.00 0.00 H new ATOM 718 N ARG A 47 6.384 -0.353 14.429 1.00 0.00 N ATOM 719 CA ARG A 47 5.491 -1.189 15.222 1.00 0.00 C ATOM 720 C ARG A 47 4.994 -2.382 14.418 1.00 0.00 C ATOM 721 O ARG A 47 3.908 -2.345 13.839 1.00 0.00 O ATOM 722 CB ARG A 47 4.298 -0.380 15.714 1.00 0.00 C ATOM 723 CG ARG A 47 4.636 0.716 16.712 1.00 0.00 C ATOM 724 CD ARG A 47 5.071 0.155 18.016 1.00 0.00 C ATOM 725 NE ARG A 47 5.255 1.192 19.019 1.00 0.00 N ATOM 726 CZ ARG A 47 6.388 1.904 19.184 1.00 0.00 C ATOM 727 NH1 ARG A 47 7.425 1.679 18.407 1.00 0.00 N ATOM 728 NH2 ARG A 47 6.456 2.829 20.126 1.00 0.00 N ATOM 0 H ARG A 47 6.091 -0.225 13.460 1.00 0.00 H new ATOM 0 HA ARG A 47 6.059 -1.555 16.077 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.804 0.072 14.854 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.580 -1.060 16.173 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.426 1.347 16.306 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.764 1.353 16.862 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.330 -0.563 18.368 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.005 -0.391 17.883 1.00 0.00 H new ATOM 0 HE ARG A 47 4.472 1.395 19.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.372 0.966 17.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.282 2.218 18.532 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.651 3.004 20.728 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.313 3.368 20.251 1.00 0.00 H new ATOM 742 N VAL A 48 5.795 -3.442 14.386 1.00 0.00 N ATOM 743 CA VAL A 48 5.436 -4.652 13.655 1.00 0.00 C ATOM 744 C VAL A 48 4.763 -5.668 14.569 1.00 0.00 C ATOM 745 O VAL A 48 5.294 -6.018 15.623 1.00 0.00 O ATOM 746 CB VAL A 48 6.690 -5.286 13.023 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.329 -6.583 12.314 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.335 -4.305 12.058 1.00 0.00 C ATOM 0 H VAL A 48 6.698 -3.488 14.858 1.00 0.00 H new ATOM 0 HA VAL A 48 4.734 -4.369 12.870 1.00 0.00 H new ATOM 0 HB VAL A 48 7.405 -5.520 13.811 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.226 -7.018 11.873 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.901 -7.283 13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.601 -6.378 11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.221 -4.760 11.615 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.626 -4.050 11.271 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.621 -3.401 12.595 1.00 0.00 H new ATOM 758 N ILE A 49 3.590 -6.138 14.159 1.00 0.00 N ATOM 759 CA ILE A 49 2.861 -7.147 14.919 1.00 0.00 C ATOM 760 C ILE A 49 2.538 -8.359 14.055 1.00 0.00 C ATOM 761 O ILE A 49 1.499 -8.405 13.396 1.00 0.00 O ATOM 762 CB ILE A 49 1.558 -6.565 15.496 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.846 -5.279 16.274 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.869 -7.586 16.388 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.603 -4.553 16.737 1.00 0.00 C ATOM 0 H ILE A 49 3.123 -5.836 13.304 1.00 0.00 H new ATOM 0 HA ILE A 49 3.504 -7.463 15.740 1.00 0.00 H new ATOM 0 HB ILE A 49 0.890 -6.325 14.669 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.459 -5.521 17.142 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.433 -4.609 15.646 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.050 -7.158 16.788 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.632 -8.477 15.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.531 -7.856 17.211 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.889 -3.652 17.280 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.001 -4.279 15.872 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.024 -5.204 17.392 1.00 0.00 H new ATOM 777 N PRO A 50 3.434 -9.341 14.064 1.00 0.00 N ATOM 778 CA PRO A 50 3.265 -10.539 13.251 1.00 0.00 C ATOM 779 C PRO A 50 1.963 -11.255 13.588 1.00 0.00 C ATOM 780 O PRO A 50 1.663 -11.499 14.757 1.00 0.00 O ATOM 781 CB PRO A 50 4.486 -11.384 13.624 1.00 0.00 C ATOM 782 CG PRO A 50 5.511 -10.383 14.036 1.00 0.00 C ATOM 783 CD PRO A 50 4.728 -9.327 14.770 1.00 0.00 C ATOM 0 HA PRO A 50 3.203 -10.330 12.183 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.258 -12.077 14.434 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.830 -11.982 12.780 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.270 -10.832 14.676 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.029 -9.966 13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.616 -9.566 15.827 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.211 -8.351 14.714 1.00 0.00 H new ATOM 791 N GLY A 51 1.193 -11.590 12.559 1.00 0.00 N ATOM 792 CA GLY A 51 -0.040 -12.347 12.738 1.00 0.00 C ATOM 793 C GLY A 51 -1.249 -11.424 12.808 1.00 0.00 C ATOM 794 O GLY A 51 -2.392 -11.881 12.806 1.00 0.00 O ATOM 0 H GLY A 51 1.402 -11.349 11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.162 -13.048 11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.023 -12.938 13.652 1.00 0.00 H new ATOM 798 N PHE A 52 -0.990 -10.122 12.872 1.00 0.00 N ATOM 799 CA PHE A 52 -2.058 -9.131 12.933 1.00 0.00 C ATOM 800 C PHE A 52 -1.852 -8.034 11.896 1.00 0.00 C ATOM 801 O PHE A 52 -2.319 -8.144 10.762 1.00 0.00 O ATOM 802 CB PHE A 52 -2.131 -8.512 14.330 1.00 0.00 C ATOM 803 CG PHE A 52 -2.588 -9.468 15.394 1.00 0.00 C ATOM 804 CD1 PHE A 52 -3.938 -9.639 15.661 1.00 0.00 C ATOM 805 CD2 PHE A 52 -1.668 -10.200 16.130 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.359 -10.518 16.640 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.086 -11.081 17.110 1.00 0.00 C ATOM 808 CZ PHE A 52 -3.432 -11.240 17.364 1.00 0.00 C ATOM 0 H PHE A 52 -0.049 -9.729 12.883 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.997 -9.640 12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.147 -8.128 14.599 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.810 -7.660 14.304 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.669 -9.078 15.097 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.612 -10.080 15.935 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.413 -10.640 16.839 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.359 -11.644 17.676 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.760 -11.929 18.128 1.00 0.00 H new ATOM 818 N VAL A 53 -1.150 -6.978 12.291 1.00 0.00 N ATOM 819 CA VAL A 53 -0.959 -5.819 11.427 1.00 0.00 C ATOM 820 C VAL A 53 0.257 -5.008 11.856 1.00 0.00 C ATOM 821 O VAL A 53 0.438 -4.719 13.039 1.00 0.00 O ATOM 822 CB VAL A 53 -2.209 -4.919 11.457 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.509 -4.470 12.878 1.00 0.00 C ATOM 824 CG2 VAL A 53 -2.004 -3.719 10.544 1.00 0.00 C ATOM 0 H VAL A 53 -0.703 -6.901 13.205 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.796 -6.184 10.413 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.065 -5.490 11.097 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.395 -3.835 12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.687 -5.343 13.506 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.660 -3.909 13.269 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.891 -3.087 10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.141 -3.147 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.833 -4.063 9.524 1.00 0.00 H new ATOM 834 N SER A 54 1.089 -4.642 10.886 1.00 0.00 N ATOM 835 CA SER A 54 2.284 -3.852 11.159 1.00 0.00 C ATOM 836 C SER A 54 2.077 -2.391 10.781 1.00 0.00 C ATOM 837 O SER A 54 1.278 -2.075 9.900 1.00 0.00 O ATOM 838 CB SER A 54 3.468 -4.417 10.400 1.00 0.00 C ATOM 839 OG SER A 54 3.262 -4.338 9.017 1.00 0.00 O ATOM 0 H SER A 54 0.957 -4.880 9.903 1.00 0.00 H new ATOM 0 HA SER A 54 2.483 -3.903 12.229 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.371 -3.869 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.627 -5.456 10.689 1.00 0.00 H new ATOM 0 HG SER A 54 4.098 -4.543 8.549 1.00 0.00 H new ATOM 845 N GLN A 55 2.802 -1.503 11.453 1.00 0.00 N ATOM 846 CA GLN A 55 2.747 -0.079 11.145 1.00 0.00 C ATOM 847 C GLN A 55 4.133 0.472 10.838 1.00 0.00 C ATOM 848 O GLN A 55 5.115 0.108 11.487 1.00 0.00 O ATOM 849 CB GLN A 55 2.121 0.697 12.307 1.00 0.00 C ATOM 850 CG GLN A 55 0.673 0.338 12.588 1.00 0.00 C ATOM 851 CD GLN A 55 0.059 1.206 13.670 1.00 0.00 C ATOM 852 OE1 GLN A 55 -0.216 2.389 13.453 1.00 0.00 O ATOM 853 NE2 GLN A 55 -0.158 0.623 14.843 1.00 0.00 N ATOM 0 H GLN A 55 3.435 -1.745 12.215 1.00 0.00 H new ATOM 0 HA GLN A 55 2.125 0.046 10.258 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.709 0.518 13.207 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.184 1.764 12.092 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.092 0.440 11.671 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.613 -0.708 12.888 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.085 -0.358 14.977 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.568 1.157 15.610 1.00 0.00 H new ATOM 862 N GLY A 56 4.209 1.351 9.845 1.00 0.00 N ATOM 863 CA GLY A 56 5.479 1.940 9.437 1.00 0.00 C ATOM 864 C GLY A 56 5.262 3.218 8.637 1.00 0.00 C ATOM 865 O GLY A 56 4.128 3.658 8.446 1.00 0.00 O ATOM 0 H GLY A 56 3.404 1.672 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.082 2.158 10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.039 1.223 8.837 1.00 0.00 H new ATOM 869 N GLY A 57 6.357 3.811 8.170 1.00 0.00 N ATOM 870 CA GLY A 57 6.284 5.001 7.332 1.00 0.00 C ATOM 871 C GLY A 57 6.130 6.260 8.175 1.00 0.00 C ATOM 872 O GLY A 57 5.367 7.162 7.829 1.00 0.00 O ATOM 0 H GLY A 57 7.305 3.486 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.185 5.076 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.442 4.914 6.646 1.00 0.00 H new ATOM 876 N CYS A 58 6.858 6.316 9.285 1.00 0.00 N ATOM 877 CA CYS A 58 6.864 7.497 10.140 1.00 0.00 C ATOM 878 C CYS A 58 8.262 8.095 10.244 1.00 0.00 C ATOM 879 O CYS A 58 9.253 7.370 10.327 1.00 0.00 O ATOM 880 CB CYS A 58 6.358 7.151 11.539 1.00 0.00 C ATOM 881 SG CYS A 58 4.626 6.631 11.591 1.00 0.00 S ATOM 0 H CYS A 58 7.453 5.555 9.614 1.00 0.00 H new ATOM 0 HA CYS A 58 6.200 8.232 9.686 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.978 6.355 11.951 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.485 8.020 12.185 1.00 0.00 H new ATOM 0 HG CYS A 58 4.011 7.266 12.544 1.00 0.00 H new ATOM 887 N PRO A 59 8.334 9.422 10.239 1.00 0.00 N ATOM 888 CA PRO A 59 9.610 10.119 10.341 1.00 0.00 C ATOM 889 C PRO A 59 10.160 10.060 11.760 1.00 0.00 C ATOM 890 O PRO A 59 11.356 10.248 11.981 1.00 0.00 O ATOM 891 CB PRO A 59 9.252 11.553 9.933 1.00 0.00 C ATOM 892 CG PRO A 59 7.830 11.707 10.349 1.00 0.00 C ATOM 893 CD PRO A 59 7.208 10.367 10.062 1.00 0.00 C ATOM 0 HA PRO A 59 10.391 9.682 9.719 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.893 12.280 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.372 11.703 8.860 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.751 11.964 11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.336 12.502 9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.389 10.149 10.747 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.800 10.321 9.052 1.00 0.00 H new ATOM 901 N ARG A 60 9.278 9.798 12.719 1.00 0.00 N ATOM 902 CA ARG A 60 9.682 9.662 14.113 1.00 0.00 C ATOM 903 C ARG A 60 9.769 8.196 14.521 1.00 0.00 C ATOM 904 O ARG A 60 10.770 7.758 15.088 1.00 0.00 O ATOM 905 CB ARG A 60 8.701 10.381 15.027 1.00 0.00 C ATOM 906 CG ARG A 60 8.559 11.872 14.766 1.00 0.00 C ATOM 907 CD ARG A 60 9.783 12.617 15.160 1.00 0.00 C ATOM 908 NE ARG A 60 9.609 14.055 15.026 1.00 0.00 N ATOM 909 CZ ARG A 60 10.574 14.967 15.253 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.773 14.577 15.624 1.00 0.00 N ATOM 911 NH2 ARG A 60 10.315 16.255 15.102 1.00 0.00 N ATOM 0 H ARG A 60 8.279 9.676 12.556 1.00 0.00 H new ATOM 0 HA ARG A 60 10.669 10.114 14.213 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.722 9.914 14.924 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.016 10.236 16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.356 12.039 13.708 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.703 12.259 15.320 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.038 12.377 16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.620 12.293 14.541 1.00 0.00 H new ATOM 0 HE ARG A 60 8.692 14.397 14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.973 13.584 15.740 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.504 15.268 15.796 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.385 16.558 14.814 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.046 16.946 15.274 1.00 0.00 H new ATOM 925 N GLY A 61 8.716 7.442 14.227 1.00 0.00 N ATOM 926 CA GLY A 61 8.655 6.033 14.597 1.00 0.00 C ATOM 927 C GLY A 61 8.283 5.865 16.065 1.00 0.00 C ATOM 928 O GLY A 61 8.731 4.927 16.724 1.00 0.00 O ATOM 0 H GLY A 61 7.892 7.784 13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.922 5.522 13.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.620 5.562 14.407 1.00 0.00 H new ATOM 932 N ASN A 62 7.462 6.778 16.570 1.00 0.00 N ATOM 933 CA ASN A 62 7.066 6.760 17.974 1.00 0.00 C ATOM 934 C ASN A 62 5.619 6.312 18.132 1.00 0.00 C ATOM 935 O ASN A 62 5.061 6.357 19.229 1.00 0.00 O ATOM 936 CB ASN A 62 7.275 8.124 18.604 1.00 0.00 C ATOM 937 CG ASN A 62 6.360 9.171 18.034 1.00 0.00 C ATOM 938 OD1 ASN A 62 5.520 8.878 17.175 1.00 0.00 O ATOM 939 ND2 ASN A 62 6.505 10.388 18.494 1.00 0.00 N ATOM 0 H ASN A 62 7.057 7.541 16.028 1.00 0.00 H new ATOM 0 HA ASN A 62 7.698 6.039 18.492 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.113 8.052 19.679 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.310 8.433 18.458 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.912 11.140 18.143 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.211 10.584 19.203 1.00 0.00 H new ATOM 946 N GLY A 63 5.015 5.880 17.031 1.00 0.00 N ATOM 947 CA GLY A 63 3.650 5.368 17.056 1.00 0.00 C ATOM 948 C GLY A 63 2.682 6.346 16.403 1.00 0.00 C ATOM 949 O GLY A 63 1.601 5.961 15.957 1.00 0.00 O ATOM 0 H GLY A 63 5.450 5.874 16.108 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.609 4.410 16.537 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.346 5.185 18.087 1.00 0.00 H new ATOM 953 N THR A 64 3.076 7.613 16.348 1.00 0.00 N ATOM 954 CA THR A 64 2.206 8.665 15.837 1.00 0.00 C ATOM 955 C THR A 64 2.841 9.376 14.649 1.00 0.00 C ATOM 956 O THR A 64 2.155 9.747 13.696 1.00 0.00 O ATOM 957 CB THR A 64 1.872 9.691 16.936 1.00 0.00 C ATOM 958 OG1 THR A 64 3.065 10.384 17.326 1.00 0.00 O ATOM 959 CG2 THR A 64 1.273 8.996 18.149 1.00 0.00 C ATOM 0 H THR A 64 3.994 7.937 16.652 1.00 0.00 H new ATOM 0 HA THR A 64 1.283 8.188 15.508 1.00 0.00 H new ATOM 0 HB THR A 64 1.145 10.401 16.541 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.839 9.794 17.208 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.043 9.736 18.916 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.359 8.479 17.858 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.987 8.274 18.544 1.00 0.00 H new ATOM 967 N GLY A 65 4.155 9.565 14.711 1.00 0.00 N ATOM 968 CA GLY A 65 4.882 10.249 13.649 1.00 0.00 C ATOM 969 C GLY A 65 4.794 11.761 13.807 1.00 0.00 C ATOM 970 O GLY A 65 4.268 12.262 14.801 1.00 0.00 O ATOM 0 H GLY A 65 4.739 9.253 15.487 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.927 9.940 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.476 9.958 12.680 1.00 0.00 H new ATOM 974 N ASP A 66 5.313 12.486 12.821 1.00 0.00 N ATOM 975 CA ASP A 66 5.307 13.943 12.855 1.00 0.00 C ATOM 976 C ASP A 66 5.248 14.527 11.450 1.00 0.00 C ATOM 977 O ASP A 66 5.950 15.489 11.137 1.00 0.00 O ATOM 978 CB ASP A 66 6.549 14.468 13.581 1.00 0.00 C ATOM 979 CG ASP A 66 6.431 15.935 13.971 1.00 0.00 C ATOM 980 OD1 ASP A 66 5.338 16.450 13.950 1.00 0.00 O ATOM 981 OD2 ASP A 66 7.436 16.528 14.285 1.00 0.00 O ATOM 0 H ASP A 66 5.744 12.086 11.987 1.00 0.00 H new ATOM 0 HA ASP A 66 4.415 14.257 13.397 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.719 13.871 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.421 14.337 12.940 1.00 0.00 H new ATOM 986 N ALA A 67 4.406 13.940 10.605 1.00 0.00 N ATOM 987 CA ALA A 67 4.230 14.422 9.241 1.00 0.00 C ATOM 988 C ALA A 67 3.487 15.752 9.218 1.00 0.00 C ATOM 989 O ALA A 67 3.851 16.664 8.476 1.00 0.00 O ATOM 990 CB ALA A 67 3.489 13.387 8.406 1.00 0.00 C ATOM 0 H ALA A 67 3.835 13.129 10.842 1.00 0.00 H new ATOM 0 HA ALA A 67 5.218 14.581 8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.365 13.761 7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.061 12.460 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.510 13.199 8.845 1.00 0.00 H new ATOM 996 N GLY A 68 2.445 15.856 10.035 1.00 0.00 N ATOM 997 CA GLY A 68 1.650 17.075 10.111 1.00 0.00 C ATOM 998 C GLY A 68 0.713 17.198 8.917 1.00 0.00 C ATOM 999 O GLY A 68 0.191 18.276 8.634 1.00 0.00 O ATOM 0 H GLY A 68 2.131 15.109 10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.069 17.077 11.034 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.311 17.941 10.149 1.00 0.00 H new ATOM 1003 N TYR A 69 0.504 16.087 8.219 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.337 16.077 7.028 1.00 0.00 C ATOM 1005 C TYR A 69 -1.814 16.138 7.395 1.00 0.00 C ATOM 1006 O TYR A 69 -2.220 15.655 8.453 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.052 14.835 6.181 1.00 0.00 C ATOM 1008 CG TYR A 69 1.350 14.793 5.612 1.00 0.00 C ATOM 1009 CD1 TYR A 69 2.125 15.944 5.595 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.859 13.606 5.108 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.406 15.905 5.075 1.00 0.00 C ATOM 1012 CE2 TYR A 69 3.137 13.568 4.589 1.00 0.00 C ATOM 1013 CZ TYR A 69 3.909 14.711 4.571 1.00 0.00 C ATOM 1014 OH TYR A 69 5.185 14.674 4.055 1.00 0.00 O ATOM 0 H TYR A 69 0.906 15.181 8.458 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.097 16.965 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.214 13.946 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.769 14.794 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.728 16.869 5.987 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.255 12.711 5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.013 16.798 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.533 12.643 4.197 1.00 0.00 H new ATOM 0 HH TYR A 69 5.386 13.766 3.745 1.00 0.00 H new ATOM 1024 N THR A 70 -2.614 16.732 6.518 1.00 0.00 N ATOM 1025 CA THR A 70 -4.060 16.778 6.705 1.00 0.00 C ATOM 1026 C THR A 70 -4.792 16.252 5.477 1.00 0.00 C ATOM 1027 O THR A 70 -5.594 16.961 4.870 1.00 0.00 O ATOM 1028 CB THR A 70 -4.533 18.209 7.016 1.00 0.00 C ATOM 1029 OG1 THR A 70 -4.151 19.085 5.947 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.917 18.705 8.316 1.00 0.00 C ATOM 0 H THR A 70 -2.285 17.190 5.668 1.00 0.00 H new ATOM 0 HA THR A 70 -4.296 16.137 7.554 1.00 0.00 H new ATOM 0 HB THR A 70 -5.618 18.201 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.578 18.791 5.115 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.263 19.718 8.519 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.215 18.049 9.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.831 18.704 8.228 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.511 15.005 5.116 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.039 14.425 3.887 1.00 0.00 C ATOM 1040 C ILE A 71 -6.517 14.084 4.029 1.00 0.00 C ATOM 1041 O ILE A 71 -6.911 13.355 4.940 1.00 0.00 O ATOM 1042 CB ILE A 71 -4.254 13.159 3.495 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.766 13.481 3.339 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -4.811 12.565 2.211 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -2.474 14.521 2.282 1.00 0.00 C ATOM 0 H ILE A 71 -3.919 14.375 5.658 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.926 15.172 3.101 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.365 12.422 4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.377 13.830 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.230 12.565 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.245 11.671 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.859 12.301 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.729 13.296 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.399 14.696 2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.831 14.167 1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.981 15.452 2.537 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.331 14.615 3.124 1.00 0.00 N ATOM 1058 CA PRO A 72 -8.764 14.343 3.129 1.00 0.00 C ATOM 1059 C PRO A 72 -9.040 12.846 3.137 1.00 0.00 C ATOM 1060 O PRO A 72 -8.263 12.058 2.598 1.00 0.00 O ATOM 1061 CB PRO A 72 -9.243 14.998 1.830 1.00 0.00 C ATOM 1062 CG PRO A 72 -8.280 16.114 1.606 1.00 0.00 C ATOM 1063 CD PRO A 72 -6.953 15.557 2.047 1.00 0.00 C ATOM 0 HA PRO A 72 -9.274 14.728 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.233 14.291 1.000 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.265 15.366 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.257 16.414 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.553 16.996 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.436 15.052 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.287 16.340 2.410 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.151 12.458 3.755 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.525 11.052 3.848 1.00 0.00 C ATOM 1073 C CYS A 73 -11.618 10.705 2.845 1.00 0.00 C ATOM 1074 O CYS A 73 -12.804 10.891 3.116 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.010 10.716 5.259 1.00 0.00 C ATOM 1076 SG CYS A 73 -9.739 10.880 6.534 1.00 0.00 S ATOM 0 H CYS A 73 -10.809 13.099 4.199 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.637 10.462 3.619 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.847 11.368 5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.389 9.694 5.268 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.245 10.577 7.693 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.211 10.199 1.685 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.150 9.877 0.618 1.00 0.00 C ATOM 1084 C GLU A 74 -13.075 8.737 1.023 1.00 0.00 C ATOM 1085 O GLU A 74 -12.677 7.835 1.762 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.398 9.505 -0.661 1.00 0.00 C ATOM 1087 CG GLU A 74 -12.283 9.351 -1.890 1.00 0.00 C ATOM 1088 CD GLU A 74 -13.219 10.512 -2.085 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.758 11.568 -2.447 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -14.396 10.342 -1.874 1.00 0.00 O ATOM 0 H GLU A 74 -10.235 10.003 1.461 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.757 10.763 0.432 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.648 10.270 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.863 8.570 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.654 9.245 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.864 8.433 -1.801 1.00 0.00 H new ATOM 1097 N THR A 75 -14.311 8.781 0.537 1.00 0.00 N ATOM 1098 CA THR A 75 -15.301 7.763 0.865 1.00 0.00 C ATOM 1099 C THR A 75 -15.884 7.137 -0.395 1.00 0.00 C ATOM 1100 O THR A 75 -16.605 6.141 -0.327 1.00 0.00 O ATOM 1101 CB THR A 75 -16.436 8.350 1.724 1.00 0.00 C ATOM 1102 OG1 THR A 75 -17.104 9.387 0.995 1.00 0.00 O ATOM 1103 CG2 THR A 75 -15.882 8.923 3.020 1.00 0.00 C ATOM 0 H THR A 75 -14.651 9.513 -0.087 1.00 0.00 H new ATOM 0 HA THR A 75 -14.791 6.989 1.438 1.00 0.00 H new ATOM 0 HB THR A 75 -17.140 7.553 1.962 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.827 9.758 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.698 9.334 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.384 8.134 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.166 9.713 2.792 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.569 7.726 -1.543 1.00 0.00 N ATOM 1112 CA ASP A 76 -16.020 7.196 -2.825 1.00 0.00 C ATOM 1113 C ASP A 76 -14.873 6.542 -3.585 1.00 0.00 C ATOM 1114 O ASP A 76 -13.726 6.979 -3.493 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.637 8.307 -3.678 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.928 8.859 -3.088 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -18.785 8.077 -2.749 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -18.045 10.056 -2.981 1.00 0.00 O ATOM 0 H ASP A 76 -15.003 8.571 -1.612 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.777 6.438 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.917 9.118 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -16.836 7.922 -4.678 1.00 0.00 H new ATOM 1123 N ASN A 77 -15.190 5.493 -4.337 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.562 5.009 -4.436 1.00 0.00 C ATOM 1125 C ASN A 77 -16.895 4.059 -3.293 1.00 0.00 C ATOM 1126 O ASN A 77 -18.031 4.015 -2.822 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.793 4.333 -5.776 1.00 0.00 C ATOM 1128 CG ASN A 77 -16.743 5.301 -6.926 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -16.965 6.505 -6.751 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.457 4.797 -8.100 1.00 0.00 N ATOM 0 H ASN A 77 -14.515 4.962 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.227 5.869 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.040 3.559 -5.924 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.763 3.836 -5.766 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.410 5.404 -8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -16.281 3.797 -8.197 1.00 0.00 H new ATOM 1137 N ASN A 78 -15.898 3.300 -2.851 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.096 2.315 -1.795 1.00 0.00 C ATOM 1139 C ASN A 78 -14.764 1.763 -1.300 1.00 0.00 C ATOM 1140 O ASN A 78 -14.260 0.770 -1.823 1.00 0.00 O ATOM 1141 CB ASN A 78 -16.993 1.189 -2.276 1.00 0.00 C ATOM 1142 CG ASN A 78 -17.340 0.219 -1.181 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -17.244 0.544 0.007 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -17.741 -0.968 -1.559 1.00 0.00 N ATOM 0 H ASN A 78 -14.944 3.348 -3.208 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.585 2.815 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -17.910 1.610 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -16.497 0.655 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.989 -1.669 -0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -17.805 -1.192 -2.552 1.00 0.00 H new ATOM 1151 N PRO A 79 -14.200 2.414 -0.288 1.00 0.00 N ATOM 1152 CA PRO A 79 -12.981 1.930 0.350 1.00 0.00 C ATOM 1153 C PRO A 79 -13.108 0.462 0.739 1.00 0.00 C ATOM 1154 O PRO A 79 -14.207 -0.025 1.012 1.00 0.00 O ATOM 1155 CB PRO A 79 -12.855 2.832 1.581 1.00 0.00 C ATOM 1156 CG PRO A 79 -13.530 4.098 1.177 1.00 0.00 C ATOM 1157 CD PRO A 79 -14.699 3.651 0.341 1.00 0.00 C ATOM 0 HA PRO A 79 -12.107 1.974 -0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.334 2.386 2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -11.811 3.004 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.858 4.668 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.859 4.742 0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.584 3.466 0.950 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.974 4.400 -0.402 1.00 0.00 H new ATOM 1165 N HIS A 80 -11.981 -0.238 0.763 1.00 0.00 N ATOM 1166 CA HIS A 80 -11.976 -1.676 1.006 1.00 0.00 C ATOM 1167 C HIS A 80 -12.103 -1.984 2.492 1.00 0.00 C ATOM 1168 O HIS A 80 -12.353 -1.091 3.301 1.00 0.00 O ATOM 1169 CB HIS A 80 -10.698 -2.315 0.453 1.00 0.00 C ATOM 1170 CG HIS A 80 -10.919 -3.654 -0.179 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.212 -4.784 0.556 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -10.889 -4.044 -1.474 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.354 -5.813 -0.263 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.162 -5.390 -1.498 1.00 0.00 N ATOM 0 H HIS A 80 -11.056 0.167 0.617 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.838 -2.099 0.489 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.256 -1.644 -0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.975 -2.420 1.262 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.688 -3.415 -2.329 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.587 -6.826 0.029 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.209 -5.970 -2.336 1.00 0.00 H new ATOM 1181 N ARG A 81 -11.929 -3.253 2.845 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.096 -3.694 4.224 1.00 0.00 C ATOM 1183 C ARG A 81 -10.758 -4.065 4.851 1.00 0.00 C ATOM 1184 O ARG A 81 -9.828 -4.473 4.156 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.034 -4.891 4.294 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.429 -4.644 3.741 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.229 -3.771 4.638 1.00 0.00 C ATOM 1188 NE ARG A 81 -15.336 -4.326 5.979 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.229 -5.264 6.349 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.081 -5.743 5.470 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -16.246 -5.704 7.595 1.00 0.00 N ATOM 0 H ARG A 81 -11.672 -3.995 2.194 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.527 -2.863 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.584 -5.720 3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.122 -5.205 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.354 -4.183 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.942 -5.597 3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.769 -2.784 4.689 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.227 -3.637 4.220 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.690 -3.981 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.066 -5.404 4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.757 -6.453 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.583 -5.333 8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -16.922 -6.414 7.876 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.667 -3.918 6.168 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.447 -4.254 6.894 1.00 0.00 C ATOM 1207 C HIS A 82 -9.306 -5.761 7.066 1.00 0.00 C ATOM 1208 O HIS A 82 -9.431 -6.283 8.173 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.430 -3.574 8.267 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.369 -2.080 8.196 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -8.194 -1.374 8.358 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -10.336 -1.156 7.983 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -8.443 -0.081 8.247 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -9.734 0.077 8.020 1.00 0.00 N ATOM 0 H HIS A 82 -11.424 -3.568 6.755 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.604 -3.891 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.323 -3.867 8.819 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.572 -3.938 8.833 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.385 -1.353 7.815 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -7.714 0.712 8.328 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.208 0.971 7.893 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.044 -6.455 5.964 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.962 -7.910 5.976 1.00 0.00 C ATOM 1223 C VAL A 83 -7.565 -8.386 5.600 1.00 0.00 C ATOM 1224 O VAL A 83 -6.614 -7.605 5.593 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.987 -8.513 4.998 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.404 -8.151 5.420 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.704 -8.023 3.586 1.00 0.00 C ATOM 0 H VAL A 83 -8.885 -6.032 5.050 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.184 -8.245 6.989 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.897 -9.599 5.016 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.115 -8.586 4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.597 -8.541 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.516 -7.067 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.433 -8.453 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.776 -6.936 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.701 -8.329 3.289 1.00 0.00 H new ATOM 1237 N THR A 84 -7.447 -9.673 5.289 1.00 0.00 N ATOM 1238 CA THR A 84 -6.159 -10.264 4.950 1.00 0.00 C ATOM 1239 C THR A 84 -5.448 -9.457 3.872 1.00 0.00 C ATOM 1240 O THR A 84 -5.902 -9.395 2.728 1.00 0.00 O ATOM 1241 CB THR A 84 -6.323 -11.721 4.481 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.975 -12.485 5.505 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.968 -12.341 4.177 1.00 0.00 C ATOM 0 H THR A 84 -8.230 -10.327 5.265 1.00 0.00 H new ATOM 0 HA THR A 84 -5.552 -10.251 5.855 1.00 0.00 H new ATOM 0 HB THR A 84 -6.925 -11.728 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.080 -13.412 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.105 -13.371 3.847 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.475 -11.770 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.352 -12.327 5.076 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.331 -8.840 4.240 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.440 -8.222 3.266 1.00 0.00 C ATOM 1253 C GLY A 85 -3.734 -6.734 3.117 1.00 0.00 C ATOM 1254 O GLY A 85 -2.977 -6.004 2.475 1.00 0.00 O ATOM 0 H GLY A 85 -4.021 -8.755 5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.405 -8.362 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.553 -8.716 2.301 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.835 -6.291 3.712 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.311 -4.925 3.524 1.00 0.00 C ATOM 1260 C ALA A 86 -4.254 -3.912 3.944 1.00 0.00 C ATOM 1261 O ALA A 86 -3.492 -4.146 4.881 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.598 -4.701 4.305 1.00 0.00 C ATOM 0 H ALA A 86 -5.416 -6.858 4.330 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.513 -4.781 2.463 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.941 -3.677 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.362 -5.395 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.414 -4.870 5.366 1.00 0.00 H new ATOM 1268 N MET A 87 -4.212 -2.784 3.242 1.00 0.00 N ATOM 1269 CA MET A 87 -3.328 -1.685 3.610 1.00 0.00 C ATOM 1270 C MET A 87 -4.097 -0.376 3.733 1.00 0.00 C ATOM 1271 O MET A 87 -4.657 0.120 2.756 1.00 0.00 O ATOM 1272 CB MET A 87 -2.202 -1.547 2.586 1.00 0.00 C ATOM 1273 CG MET A 87 -1.208 -2.700 2.585 1.00 0.00 C ATOM 1274 SD MET A 87 0.076 -2.509 1.332 1.00 0.00 S ATOM 1275 CE MET A 87 0.843 -0.982 1.865 1.00 0.00 C ATOM 0 H MET A 87 -4.781 -2.607 2.414 1.00 0.00 H new ATOM 0 HA MET A 87 -2.895 -1.912 4.584 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.640 -1.460 1.592 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.663 -0.619 2.779 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.743 -2.775 3.568 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.742 -3.635 2.413 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.888 -0.973 1.556 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.323 -0.137 1.413 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.785 -0.905 2.951 1.00 0.00 H new ATOM 1285 N SER A 88 -4.122 0.179 4.941 1.00 0.00 N ATOM 1286 CA SER A 88 -4.870 1.401 5.207 1.00 0.00 C ATOM 1287 C SER A 88 -3.943 2.537 5.620 1.00 0.00 C ATOM 1288 O SER A 88 -2.761 2.318 5.891 1.00 0.00 O ATOM 1289 CB SER A 88 -5.899 1.157 6.293 1.00 0.00 C ATOM 1290 OG SER A 88 -5.283 0.772 7.492 1.00 0.00 O ATOM 0 H SER A 88 -3.632 -0.199 5.751 1.00 0.00 H new ATOM 0 HA SER A 88 -5.377 1.691 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.484 2.063 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.595 0.382 5.972 1.00 0.00 H new ATOM 0 HG SER A 88 -4.654 1.468 7.775 1.00 0.00 H new ATOM 1296 N MET A 89 -4.483 3.749 5.666 1.00 0.00 N ATOM 1297 CA MET A 89 -3.712 4.917 6.074 1.00 0.00 C ATOM 1298 C MET A 89 -4.247 5.504 7.373 1.00 0.00 C ATOM 1299 O MET A 89 -5.447 5.744 7.510 1.00 0.00 O ATOM 1300 CB MET A 89 -3.725 5.971 4.967 1.00 0.00 C ATOM 1301 CG MET A 89 -2.854 7.187 5.246 1.00 0.00 C ATOM 1302 SD MET A 89 -1.094 6.787 5.283 1.00 0.00 S ATOM 1303 CE MET A 89 -0.768 6.533 3.542 1.00 0.00 C ATOM 0 H MET A 89 -5.454 3.949 5.425 1.00 0.00 H new ATOM 0 HA MET A 89 -2.684 4.600 6.249 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.394 5.508 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.751 6.303 4.810 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.035 7.942 4.481 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.143 7.625 6.201 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.408 5.516 3.384 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.686 6.685 2.974 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.012 7.242 3.206 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.351 5.733 8.327 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.733 6.279 9.623 1.00 0.00 C ATOM 1315 C ALA A 90 -4.153 7.739 9.505 1.00 0.00 C ATOM 1316 O ALA A 90 -3.736 8.441 8.584 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.589 6.136 10.617 1.00 0.00 C ATOM 0 H ALA A 90 -2.353 5.548 8.226 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.589 5.711 9.987 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.890 6.548 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.340 5.082 10.736 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.717 6.676 10.248 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.980 8.189 10.442 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.403 9.583 10.484 1.00 0.00 C ATOM 1325 C HIS A 91 -5.483 10.092 11.917 1.00 0.00 C ATOM 1326 O HIS A 91 -5.454 9.310 12.867 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.763 9.756 9.799 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.883 9.048 10.496 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.451 9.519 11.661 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.538 7.903 10.194 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.409 8.694 12.045 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.482 7.705 11.172 1.00 0.00 N ATOM 0 H HIS A 91 -5.371 7.608 11.183 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.656 10.169 9.949 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.998 10.819 9.740 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.694 9.388 8.775 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.353 7.264 9.343 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.027 8.809 12.923 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.134 6.922 11.217 1.00 0.00 H new ATOM 1339 N ARG A 92 -5.581 11.409 12.068 1.00 0.00 N ATOM 1340 CA ARG A 92 -5.705 12.022 13.384 1.00 0.00 C ATOM 1341 C ARG A 92 -7.000 12.815 13.503 1.00 0.00 C ATOM 1342 O ARG A 92 -7.025 13.900 14.084 1.00 0.00 O ATOM 1343 CB ARG A 92 -4.525 12.943 13.660 1.00 0.00 C ATOM 1344 CG ARG A 92 -3.169 12.254 13.683 1.00 0.00 C ATOM 1345 CD ARG A 92 -2.071 13.212 13.967 1.00 0.00 C ATOM 1346 NE ARG A 92 -0.767 12.570 13.927 1.00 0.00 N ATOM 1347 CZ ARG A 92 0.384 13.152 14.318 1.00 0.00 C ATOM 1348 NH1 ARG A 92 0.377 14.386 14.772 1.00 0.00 N ATOM 1349 NH2 ARG A 92 1.521 12.483 14.242 1.00 0.00 N ATOM 0 H ARG A 92 -5.577 12.072 11.293 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.717 11.217 14.119 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.507 13.724 12.900 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.683 13.435 14.620 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.172 11.469 14.440 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.990 11.770 12.723 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.099 14.022 13.239 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.225 13.660 14.949 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.720 11.612 13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.500 14.904 14.829 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.249 14.826 15.068 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.527 11.527 13.888 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.392 12.923 14.538 1.00 0.00 H new ATOM 1363 N GLY A 93 -8.077 12.266 12.949 1.00 0.00 N ATOM 1364 CA GLY A 93 -9.372 12.936 12.964 1.00 0.00 C ATOM 1365 C GLY A 93 -9.999 12.953 11.577 1.00 0.00 C ATOM 1366 O GLY A 93 -9.538 12.263 10.667 1.00 0.00 O ATOM 0 H GLY A 93 -8.078 11.358 12.484 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.039 12.429 13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.252 13.958 13.324 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.054 13.746 11.420 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.775 13.820 10.154 1.00 0.00 C ATOM 1372 C ARG A 94 -10.940 14.510 9.084 1.00 0.00 C ATOM 1373 O ARG A 94 -10.400 15.594 9.307 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.088 14.568 10.330 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.966 14.620 9.089 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.290 15.229 9.378 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.152 15.232 8.207 1.00 0.00 N ATOM 1378 CZ ARG A 94 -16.163 16.197 7.268 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -15.355 17.230 7.375 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -16.986 16.109 6.238 1.00 0.00 N ATOM 0 H ARG A 94 -11.429 14.347 12.154 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.980 12.799 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.651 14.099 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.869 15.588 10.645 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.463 15.195 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.106 13.612 8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.775 14.679 10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.151 16.251 9.729 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.794 14.448 8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.720 17.300 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.364 17.960 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.614 15.310 6.154 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.994 16.841 5.527 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.837 13.877 7.921 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.093 14.444 6.803 1.00 0.00 C ATOM 1396 C ASP A 95 -8.699 14.882 7.233 1.00 0.00 C ATOM 1397 O ASP A 95 -8.234 15.959 6.861 1.00 0.00 O ATOM 1398 CB ASP A 95 -10.847 15.635 6.206 1.00 0.00 C ATOM 1399 CG ASP A 95 -12.153 15.233 5.532 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -12.136 14.308 4.755 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -13.152 15.855 5.800 1.00 0.00 O ATOM 0 H ASP A 95 -11.260 12.969 7.728 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.992 13.667 6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.058 16.357 6.995 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.208 16.136 5.479 1.00 0.00 H new ATOM 1406 N THR A 96 -8.037 14.039 8.019 1.00 0.00 N ATOM 1407 CA THR A 96 -6.691 14.335 8.496 1.00 0.00 C ATOM 1408 C THR A 96 -5.812 13.091 8.469 1.00 0.00 C ATOM 1409 O THR A 96 -5.330 12.639 9.507 1.00 0.00 O ATOM 1410 CB THR A 96 -6.723 14.916 9.921 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.598 16.051 9.959 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.328 15.341 10.356 1.00 0.00 C ATOM 0 H THR A 96 -8.411 13.146 8.339 1.00 0.00 H new ATOM 0 HA THR A 96 -6.266 15.079 7.823 1.00 0.00 H new ATOM 0 HB THR A 96 -7.086 14.146 10.602 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.522 15.757 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.370 15.749 11.366 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.663 14.477 10.341 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.950 16.101 9.673 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.608 12.542 7.277 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.747 11.378 7.106 1.00 0.00 C ATOM 1422 C GLY A 97 -3.276 11.777 7.105 1.00 0.00 C ATOM 1423 O GLY A 97 -2.927 12.898 6.736 1.00 0.00 O ATOM 0 H GLY A 97 -6.028 12.885 6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.932 10.664 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.991 10.876 6.170 1.00 0.00 H new ATOM 1427 N SER A 98 -2.418 10.853 7.522 1.00 0.00 N ATOM 1428 CA SER A 98 -0.991 11.128 7.638 1.00 0.00 C ATOM 1429 C SER A 98 -0.184 10.274 6.670 1.00 0.00 C ATOM 1430 O SER A 98 -0.729 9.715 5.718 1.00 0.00 O ATOM 1431 CB SER A 98 -0.525 10.875 9.059 1.00 0.00 C ATOM 1432 OG SER A 98 -0.516 9.503 9.347 1.00 0.00 O ATOM 0 H SER A 98 -2.687 9.905 7.786 1.00 0.00 H new ATOM 0 HA SER A 98 -0.829 12.176 7.385 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.475 11.286 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.181 11.393 9.759 1.00 0.00 H new ATOM 0 HG SER A 98 -0.211 9.364 10.268 1.00 0.00 H new ATOM 1438 N CYS A 99 1.119 10.178 6.917 1.00 0.00 N ATOM 1439 CA CYS A 99 1.981 9.292 6.144 1.00 0.00 C ATOM 1440 C CYS A 99 2.031 7.899 6.759 1.00 0.00 C ATOM 1441 O CYS A 99 2.451 6.939 6.113 1.00 0.00 O ATOM 1442 CB CYS A 99 3.398 9.858 6.061 1.00 0.00 C ATOM 1443 SG CYS A 99 4.276 9.889 7.643 1.00 0.00 S ATOM 0 H CYS A 99 1.601 10.703 7.647 1.00 0.00 H new ATOM 0 HA CYS A 99 1.560 9.219 5.141 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.973 9.265 5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.350 10.872 5.665 1.00 0.00 H new ATOM 0 HG CYS A 99 4.597 8.677 7.985 1.00 0.00 H new ATOM 1449 N GLN A 100 1.603 7.795 8.013 1.00 0.00 N ATOM 1450 CA GLN A 100 1.619 6.523 8.725 1.00 0.00 C ATOM 1451 C GLN A 100 0.584 5.561 8.158 1.00 0.00 C ATOM 1452 O GLN A 100 -0.594 5.898 8.044 1.00 0.00 O ATOM 1453 CB GLN A 100 1.366 6.743 10.220 1.00 0.00 C ATOM 1454 CG GLN A 100 1.415 5.474 11.053 1.00 0.00 C ATOM 1455 CD GLN A 100 1.463 5.760 12.541 1.00 0.00 C ATOM 1456 OE1 GLN A 100 1.726 6.890 12.962 1.00 0.00 O ATOM 1457 NE2 GLN A 100 1.209 4.736 13.348 1.00 0.00 N ATOM 0 H GLN A 100 1.240 8.578 8.557 1.00 0.00 H new ATOM 0 HA GLN A 100 2.606 6.080 8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.107 7.445 10.603 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.389 7.210 10.347 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.540 4.863 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.291 4.890 10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.996 3.819 12.956 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.227 4.867 14.359 1.00 0.00 H new ATOM 1466 N PHE A 101 1.031 4.359 7.807 1.00 0.00 N ATOM 1467 CA PHE A 101 0.191 3.411 7.084 1.00 0.00 C ATOM 1468 C PHE A 101 0.297 2.015 7.682 1.00 0.00 C ATOM 1469 O PHE A 101 1.220 1.723 8.443 1.00 0.00 O ATOM 1470 CB PHE A 101 0.583 3.369 5.606 1.00 0.00 C ATOM 1471 CG PHE A 101 1.924 2.741 5.352 1.00 0.00 C ATOM 1472 CD1 PHE A 101 3.077 3.511 5.346 1.00 0.00 C ATOM 1473 CD2 PHE A 101 2.034 1.378 5.119 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.311 2.935 5.112 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.267 0.799 4.885 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.405 1.577 4.881 1.00 0.00 C ATOM 0 H PHE A 101 1.970 4.019 8.012 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.842 3.748 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.177 2.816 5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.588 4.385 5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.010 4.574 5.526 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.147 0.763 5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.201 3.547 5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.339 -0.263 4.705 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.369 1.125 4.697 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.653 1.154 7.334 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.695 -0.200 7.874 1.00 0.00 C ATOM 1488 C PHE A 102 -0.348 -1.229 6.806 1.00 0.00 C ATOM 1489 O PHE A 102 -0.554 -0.996 5.615 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.080 -0.502 8.450 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.484 0.413 9.570 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.941 1.695 9.307 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.405 -0.006 10.890 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -3.312 2.539 10.338 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.777 0.833 11.922 1.00 0.00 C ATOM 1496 CZ PHE A 102 -3.231 2.107 11.645 1.00 0.00 C ATOM 0 H PHE A 102 -1.405 1.370 6.680 1.00 0.00 H new ATOM 0 HA PHE A 102 0.047 -0.264 8.670 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.818 -0.431 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.097 -1.531 8.810 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.008 2.039 8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.048 -1.001 11.113 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.665 3.536 10.119 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.713 0.493 12.945 1.00 0.00 H new ATOM 0 HZ PHE A 102 -3.522 2.764 12.451 1.00 0.00 H new ATOM 1506 N ILE A 103 0.180 -2.369 7.240 1.00 0.00 N ATOM 1507 CA ILE A 103 0.140 -3.586 6.438 1.00 0.00 C ATOM 1508 C ILE A 103 -0.492 -4.736 7.212 1.00 0.00 C ATOM 1509 O ILE A 103 0.097 -5.255 8.161 1.00 0.00 O ATOM 1510 CB ILE A 103 1.554 -3.989 5.982 1.00 0.00 C ATOM 1511 CG1 ILE A 103 2.173 -2.885 5.120 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.512 -5.304 5.218 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.569 -3.199 4.635 1.00 0.00 C ATOM 0 H ILE A 103 0.641 -2.475 8.144 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.472 -3.376 5.561 1.00 0.00 H new ATOM 0 HB ILE A 103 2.177 -4.125 6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.530 -2.707 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.198 -1.959 5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.520 -5.574 4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.111 -6.087 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.875 -5.195 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.940 -2.370 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.227 -3.347 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.549 -4.107 4.032 1.00 0.00 H new ATOM 1525 N VAL A 104 -1.692 -5.129 6.803 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.458 -6.136 7.528 1.00 0.00 C ATOM 1527 C VAL A 104 -2.114 -7.539 7.047 1.00 0.00 C ATOM 1528 O VAL A 104 -2.041 -7.793 5.844 1.00 0.00 O ATOM 1529 CB VAL A 104 -3.968 -5.890 7.351 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -4.770 -6.984 8.041 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.338 -4.523 7.903 1.00 0.00 C ATOM 0 H VAL A 104 -2.157 -4.765 5.971 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.197 -6.055 8.583 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.208 -5.914 6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.835 -6.795 7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.515 -7.951 7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.535 -6.991 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.407 -4.356 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.089 -4.479 8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.783 -3.752 7.368 1.00 0.00 H new ATOM 1541 N HIS A 105 -1.905 -8.449 7.992 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.709 -9.858 7.670 1.00 0.00 C ATOM 1543 C HIS A 105 -2.988 -10.657 7.887 1.00 0.00 C ATOM 1544 O HIS A 105 -3.323 -11.538 7.095 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.578 -10.454 8.514 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.252 -11.873 8.168 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.230 -12.246 6.931 1.00 0.00 N ATOM 1548 CD2 HIS A 105 -0.341 -13.012 8.896 1.00 0.00 C ATOM 1549 CE1 HIS A 105 0.425 -13.552 6.914 1.00 0.00 C ATOM 1550 NE2 HIS A 105 0.087 -14.040 8.093 1.00 0.00 N ATOM 0 H HIS A 105 -1.867 -8.236 8.989 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.437 -9.919 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.317 -9.844 8.389 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.855 -10.401 9.567 1.00 0.00 H new ATOM 0 HD1 HIS A 105 0.408 -11.613 6.152 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.684 -13.096 9.917 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.798 -14.124 6.077 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.698 -10.344 8.965 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.996 -10.953 9.230 1.00 0.00 C ATOM 1559 C GLU A 106 -6.047 -9.897 9.544 1.00 0.00 C ATOM 1560 O GLU A 106 -5.730 -8.825 10.061 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.893 -11.944 10.391 1.00 0.00 C ATOM 1562 CG GLU A 106 -4.008 -13.151 10.110 1.00 0.00 C ATOM 1563 CD GLU A 106 -3.993 -14.140 11.242 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -4.641 -13.894 12.230 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -3.330 -15.143 11.117 1.00 0.00 O ATOM 0 H GLU A 106 -3.396 -9.672 9.670 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.303 -11.486 8.330 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.507 -11.421 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.894 -12.294 10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.356 -13.648 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.990 -12.812 9.916 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.301 -10.204 9.229 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.397 -9.265 9.440 1.00 0.00 C ATOM 1574 C PRO A 107 -8.374 -8.701 10.854 1.00 0.00 C ATOM 1575 O PRO A 107 -8.154 -9.431 11.821 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.640 -10.125 9.194 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.200 -11.121 8.176 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.780 -11.444 8.558 1.00 0.00 C ATOM 0 HA PRO A 107 -8.350 -8.392 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.974 -10.613 10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.474 -9.525 8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.829 -12.011 8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.257 -10.710 7.168 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.731 -12.304 9.226 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.175 -11.685 7.683 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.603 -7.397 10.970 1.00 0.00 N ATOM 1587 CA GLN A 108 -8.448 -6.701 12.241 1.00 0.00 C ATOM 1588 C GLN A 108 -9.675 -5.859 12.562 1.00 0.00 C ATOM 1589 O GLN A 108 -9.818 -4.739 12.071 1.00 0.00 O ATOM 1590 CB GLN A 108 -7.198 -5.816 12.218 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.837 -5.213 13.565 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.334 -6.253 14.548 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -6.908 -7.337 14.676 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -5.254 -5.926 15.251 1.00 0.00 N ATOM 0 H GLN A 108 -8.897 -6.800 10.197 1.00 0.00 H new ATOM 0 HA GLN A 108 -8.337 -7.454 13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.355 -6.407 11.859 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -7.351 -5.010 11.501 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.072 -4.449 13.425 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.712 -4.715 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -4.811 -5.018 15.113 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -4.868 -6.583 15.929 1.00 0.00 H new ATOM 1603 N PRO A 109 -10.559 -6.403 13.390 1.00 0.00 N ATOM 1604 CA PRO A 109 -11.763 -5.691 13.802 1.00 0.00 C ATOM 1605 C PRO A 109 -11.418 -4.374 14.485 1.00 0.00 C ATOM 1606 O PRO A 109 -12.216 -3.437 14.487 1.00 0.00 O ATOM 1607 CB PRO A 109 -12.429 -6.673 14.772 1.00 0.00 C ATOM 1608 CG PRO A 109 -11.926 -8.008 14.345 1.00 0.00 C ATOM 1609 CD PRO A 109 -10.496 -7.758 13.944 1.00 0.00 C ATOM 0 HA PRO A 109 -12.408 -5.415 12.968 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -12.158 -6.457 15.805 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -13.516 -6.619 14.710 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.990 -8.735 15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -12.508 -8.405 13.514 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.818 -7.818 14.796 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.148 -8.482 13.208 1.00 0.00 H new ATOM 1617 N HIS A 110 -10.224 -4.309 15.063 1.00 0.00 N ATOM 1618 CA HIS A 110 -9.798 -3.132 15.812 1.00 0.00 C ATOM 1619 C HIS A 110 -9.449 -1.982 14.876 1.00 0.00 C ATOM 1620 O HIS A 110 -9.342 -0.832 15.303 1.00 0.00 O ATOM 1621 CB HIS A 110 -8.591 -3.460 16.697 1.00 0.00 C ATOM 1622 CG HIS A 110 -8.892 -4.448 17.782 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -9.655 -4.129 18.886 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -8.534 -5.743 17.933 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -9.752 -5.189 19.670 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -9.081 -6.180 19.114 1.00 0.00 N ATOM 0 H HIS A 110 -9.533 -5.058 15.027 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.631 -2.826 16.445 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.789 -3.853 16.072 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.221 -2.539 17.148 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -7.931 -6.325 17.252 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.289 -5.236 20.606 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.984 -7.119 19.500 1.00 0.00 H new ATOM 1633 N LEU A 111 -9.274 -2.298 13.597 1.00 0.00 N ATOM 1634 CA LEU A 111 -9.054 -1.277 12.578 1.00 0.00 C ATOM 1635 C LEU A 111 -10.249 -1.168 11.641 1.00 0.00 C ATOM 1636 O LEU A 111 -10.423 -0.159 10.957 1.00 0.00 O ATOM 1637 CB LEU A 111 -7.790 -1.600 11.771 1.00 0.00 C ATOM 1638 CG LEU A 111 -6.487 -1.676 12.577 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -5.342 -2.074 11.655 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -6.217 -0.330 13.234 1.00 0.00 C ATOM 0 H LEU A 111 -9.280 -3.254 13.241 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.927 -0.320 13.084 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.938 -2.554 11.265 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.673 -0.843 10.996 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.576 -2.429 13.360 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.416 -2.128 12.227 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.553 -3.048 11.213 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.237 -1.331 10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.291 -0.384 13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.124 0.438 12.466 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.042 -0.079 13.901 1.00 0.00 H new ATOM 1652 N ASP A 112 -11.071 -2.212 11.613 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.257 -2.230 10.767 1.00 0.00 C ATOM 1654 C ASP A 112 -13.194 -1.078 11.106 1.00 0.00 C ATOM 1655 O ASP A 112 -13.815 -1.062 12.169 1.00 0.00 O ATOM 1656 CB ASP A 112 -13.001 -3.560 10.914 1.00 0.00 C ATOM 1657 CG ASP A 112 -14.173 -3.693 9.953 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -14.519 -2.718 9.329 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.713 -4.769 9.850 1.00 0.00 O ATOM 0 H ASP A 112 -10.937 -3.057 12.168 1.00 0.00 H new ATOM 0 HA ASP A 112 -11.927 -2.115 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -12.304 -4.381 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -13.364 -3.656 11.937 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.291 -0.114 10.197 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.206 1.008 10.366 1.00 0.00 C ATOM 1666 C GLY A 113 -13.523 2.174 11.071 1.00 0.00 C ATOM 1667 O GLY A 113 -14.158 3.182 11.383 1.00 0.00 O ATOM 0 H GLY A 113 -12.746 -0.087 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.572 1.332 9.392 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.074 0.689 10.943 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.226 2.030 11.319 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.454 3.071 11.988 1.00 0.00 C ATOM 1673 C VAL A 114 -10.683 3.915 10.982 1.00 0.00 C ATOM 1674 O VAL A 114 -10.742 5.145 11.014 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.468 2.444 12.991 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.632 3.524 13.662 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.229 1.630 14.026 1.00 0.00 C ATOM 0 H VAL A 114 -11.687 1.202 11.067 1.00 0.00 H new ATOM 0 HA VAL A 114 -12.155 3.715 12.519 1.00 0.00 H new ATOM 0 HB VAL A 114 -9.792 1.779 12.453 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -8.941 3.063 14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.068 4.070 12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.287 4.213 14.194 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -10.525 1.190 14.732 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -11.922 2.279 14.562 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -11.786 0.837 13.527 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.959 3.249 10.089 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.187 3.938 9.062 1.00 0.00 C ATOM 1689 C HIS A 115 -9.667 3.561 7.666 1.00 0.00 C ATOM 1690 O HIS A 115 -10.602 2.775 7.513 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.695 3.615 9.200 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.119 3.988 10.530 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.946 5.298 10.925 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.675 3.224 11.556 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.422 5.324 12.138 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.248 4.078 12.542 1.00 0.00 N ATOM 0 H HIS A 115 -9.891 2.232 10.056 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.335 5.009 9.202 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.547 2.548 9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.145 4.137 8.417 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.660 2.145 11.592 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.178 6.212 12.702 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.859 3.796 13.442 1.00 0.00 H new ATOM 1703 N THR A 116 -9.021 4.124 6.652 1.00 0.00 N ATOM 1704 CA THR A 116 -9.424 3.902 5.268 1.00 0.00 C ATOM 1705 C THR A 116 -8.409 3.037 4.531 1.00 0.00 C ATOM 1706 O THR A 116 -7.228 3.376 4.455 1.00 0.00 O ATOM 1707 CB THR A 116 -9.605 5.236 4.521 1.00 0.00 C ATOM 1708 OG1 THR A 116 -10.632 6.007 5.158 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.987 4.988 3.070 1.00 0.00 C ATOM 0 H THR A 116 -8.215 4.739 6.762 1.00 0.00 H new ATOM 0 HA THR A 116 -10.380 3.379 5.291 1.00 0.00 H new ATOM 0 HB THR A 116 -8.662 5.782 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.745 6.857 4.683 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.111 5.942 2.558 1.00 0.00 H new ATOM 0 HG22 THR A 116 -9.201 4.413 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.923 4.431 3.030 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.875 1.917 3.990 1.00 0.00 N ATOM 1718 CA VAL A 117 -8.026 1.039 3.193 1.00 0.00 C ATOM 1719 C VAL A 117 -7.880 1.558 1.769 1.00 0.00 C ATOM 1720 O VAL A 117 -8.869 1.895 1.116 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.612 -0.385 3.160 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.763 -1.290 2.280 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.705 -0.940 4.573 1.00 0.00 C ATOM 0 H VAL A 117 -9.838 1.595 4.089 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.041 1.018 3.659 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.615 -0.345 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.192 -2.292 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.740 -0.893 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.748 -1.334 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.120 -1.947 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.710 -0.971 5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.351 -0.300 5.174 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.643 1.620 1.291 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.349 2.229 -0.001 1.00 0.00 C ATOM 1735 C PHE A 118 -5.572 1.272 -0.897 1.00 0.00 C ATOM 1736 O PHE A 118 -5.427 1.509 -2.096 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.553 3.521 0.186 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.145 3.302 0.663 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.860 3.230 2.018 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -3.103 3.167 -0.242 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.567 3.030 2.458 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.808 2.965 0.195 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.539 2.897 1.546 1.00 0.00 C ATOM 0 H PHE A 118 -5.825 1.255 1.780 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.299 2.459 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.526 4.061 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -6.074 4.158 0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.659 3.332 2.738 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.306 3.220 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.359 2.978 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -1.006 2.860 -0.521 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.527 2.740 1.890 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.074 0.191 -0.308 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.341 -0.822 -1.058 1.00 0.00 C ATOM 1755 C GLY A 119 -4.472 -2.193 -0.407 1.00 0.00 C ATOM 1756 O GLY A 119 -5.118 -2.339 0.631 1.00 0.00 O ATOM 0 H GLY A 119 -5.165 -0.007 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.717 -0.865 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.289 -0.544 -1.117 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.856 -3.196 -1.023 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.854 -4.547 -0.473 1.00 0.00 C ATOM 1762 C GLN A 120 -2.681 -5.357 -1.009 1.00 0.00 C ATOM 1763 O GLN A 120 -2.451 -5.410 -2.217 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.172 -5.258 -0.794 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.307 -6.631 -0.160 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.625 -7.300 -0.504 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.322 -6.888 -1.436 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.975 -8.339 0.247 1.00 0.00 N ATOM 0 H GLN A 120 -3.351 -3.099 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.748 -4.466 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -6.000 -4.633 -0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.264 -5.359 -1.875 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.484 -7.264 -0.492 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.221 -6.538 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.368 -8.646 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.850 -8.830 0.063 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.943 -5.990 -0.104 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.815 -6.831 -0.487 1.00 0.00 C ATOM 1779 C VAL A 121 -1.277 -8.045 -1.281 1.00 0.00 C ATOM 1780 O VAL A 121 -2.246 -8.709 -0.909 1.00 0.00 O ATOM 1781 CB VAL A 121 -0.050 -7.300 0.765 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.052 -8.278 0.380 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.529 -6.100 1.498 1.00 0.00 C ATOM 0 H VAL A 121 -2.106 -5.937 0.901 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.155 -6.234 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.743 -7.815 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.583 -8.599 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.613 -9.146 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.750 -7.790 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.069 -6.439 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.213 -5.566 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.279 -5.433 1.800 1.00 0.00 H new ATOM 1793 N THR A 122 -0.581 -8.332 -2.375 1.00 0.00 N ATOM 1794 CA THR A 122 -0.930 -9.458 -3.233 1.00 0.00 C ATOM 1795 C THR A 122 0.185 -10.495 -3.264 1.00 0.00 C ATOM 1796 O THR A 122 -0.048 -11.662 -3.579 1.00 0.00 O ATOM 1797 CB THR A 122 -1.238 -8.986 -4.666 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.066 -8.389 -5.238 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.369 -7.970 -4.663 1.00 0.00 C ATOM 0 H THR A 122 0.230 -7.799 -2.689 1.00 0.00 H new ATOM 0 HA THR A 122 -1.824 -9.919 -2.813 1.00 0.00 H new ATOM 0 HB THR A 122 -1.541 -9.849 -5.258 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.263 -8.091 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.572 -7.648 -5.685 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.265 -8.425 -4.241 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.082 -7.108 -4.061 1.00 0.00 H new ATOM 1807 N SER A 123 1.397 -10.063 -2.934 1.00 0.00 N ATOM 1808 CA SER A 123 2.547 -10.958 -2.902 1.00 0.00 C ATOM 1809 C SER A 123 3.594 -10.475 -1.905 1.00 0.00 C ATOM 1810 O SER A 123 3.787 -9.273 -1.727 1.00 0.00 O ATOM 1811 CB SER A 123 3.163 -11.067 -4.282 1.00 0.00 C ATOM 1812 OG SER A 123 4.294 -11.894 -4.264 1.00 0.00 O ATOM 0 H SER A 123 1.608 -9.097 -2.685 1.00 0.00 H new ATOM 0 HA SER A 123 2.199 -11.940 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.428 -11.465 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.439 -10.075 -4.640 1.00 0.00 H new ATOM 0 HG SER A 123 4.673 -11.950 -5.166 1.00 0.00 H new ATOM 1818 N GLY A 124 4.265 -11.420 -1.256 1.00 0.00 N ATOM 1819 CA GLY A 124 5.211 -11.096 -0.194 1.00 0.00 C ATOM 1820 C GLY A 124 4.534 -11.115 1.170 1.00 0.00 C ATOM 1821 O GLY A 124 5.031 -10.525 2.129 1.00 0.00 O ATOM 0 H GLY A 124 4.171 -12.418 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.033 -11.811 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.642 -10.112 -0.375 1.00 0.00 H new ATOM 1825 N MET A 125 3.397 -11.797 1.250 1.00 0.00 N ATOM 1826 CA MET A 125 2.679 -11.944 2.512 1.00 0.00 C ATOM 1827 C MET A 125 3.535 -12.653 3.553 1.00 0.00 C ATOM 1828 O MET A 125 3.436 -12.372 4.748 1.00 0.00 O ATOM 1829 CB MET A 125 1.372 -12.703 2.290 1.00 0.00 C ATOM 1830 CG MET A 125 0.312 -11.922 1.527 1.00 0.00 C ATOM 1831 SD MET A 125 -1.201 -12.870 1.270 1.00 0.00 S ATOM 1832 CE MET A 125 -1.766 -13.069 2.957 1.00 0.00 C ATOM 0 H MET A 125 2.952 -12.257 0.456 1.00 0.00 H new ATOM 0 HA MET A 125 2.449 -10.948 2.890 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.588 -13.623 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.965 -12.992 3.259 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.075 -11.009 2.074 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.715 -11.619 0.560 1.00 0.00 H new ATOM 0 HE1 MET A 125 -2.755 -13.527 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.070 -13.708 3.501 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.817 -12.094 3.441 1.00 0.00 H new ATOM 1842 N ASP A 126 4.376 -13.573 3.094 1.00 0.00 N ATOM 1843 CA ASP A 126 5.319 -14.257 3.972 1.00 0.00 C ATOM 1844 C ASP A 126 6.340 -13.283 4.547 1.00 0.00 C ATOM 1845 O ASP A 126 6.698 -13.367 5.722 1.00 0.00 O ATOM 1846 CB ASP A 126 6.040 -15.376 3.217 1.00 0.00 C ATOM 1847 CG ASP A 126 5.144 -16.576 2.938 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.083 -16.645 3.511 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.530 -17.411 2.156 1.00 0.00 O ATOM 0 H ASP A 126 4.424 -13.863 2.117 1.00 0.00 H new ATOM 0 HA ASP A 126 4.751 -14.690 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.419 -14.985 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 126 6.904 -15.701 3.797 1.00 0.00 H new ATOM 1854 N VAL A 127 6.807 -12.362 3.711 1.00 0.00 N ATOM 1855 CA VAL A 127 7.739 -11.330 4.151 1.00 0.00 C ATOM 1856 C VAL A 127 7.123 -10.458 5.237 1.00 0.00 C ATOM 1857 O VAL A 127 7.779 -10.121 6.223 1.00 0.00 O ATOM 1858 CB VAL A 127 8.157 -10.445 2.962 1.00 0.00 C ATOM 1859 CG1 VAL A 127 8.970 -9.253 3.445 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.949 -11.268 1.957 1.00 0.00 C ATOM 0 H VAL A 127 6.555 -12.309 2.724 1.00 0.00 H new ATOM 0 HA VAL A 127 8.617 -11.830 4.561 1.00 0.00 H new ATOM 0 HB VAL A 127 7.261 -10.065 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.257 -8.639 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.370 -8.659 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.866 -9.606 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.241 -10.636 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.841 -11.669 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.332 -12.090 1.594 1.00 0.00 H new ATOM 1870 N VAL A 128 5.857 -10.096 5.051 1.00 0.00 N ATOM 1871 CA VAL A 128 5.119 -9.347 6.062 1.00 0.00 C ATOM 1872 C VAL A 128 4.956 -10.159 7.339 1.00 0.00 C ATOM 1873 O VAL A 128 5.182 -9.654 8.440 1.00 0.00 O ATOM 1874 CB VAL A 128 3.729 -8.955 5.526 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.883 -8.345 6.633 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.878 -7.984 4.364 1.00 0.00 C ATOM 0 H VAL A 128 5.321 -10.309 4.210 1.00 0.00 H new ATOM 0 HA VAL A 128 5.690 -8.448 6.291 1.00 0.00 H new ATOM 0 HB VAL A 128 3.222 -9.851 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.905 -8.074 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.760 -9.069 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.377 -7.454 7.019 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.892 -7.711 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.398 -7.088 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.451 -8.457 3.566 1.00 0.00 H new ATOM 1886 N ARG A 129 4.563 -11.419 7.188 1.00 0.00 N ATOM 1887 CA ARG A 129 4.367 -12.304 8.330 1.00 0.00 C ATOM 1888 C ARG A 129 5.630 -12.399 9.177 1.00 0.00 C ATOM 1889 O ARG A 129 5.570 -12.358 10.406 1.00 0.00 O ATOM 1890 CB ARG A 129 3.964 -13.695 7.867 1.00 0.00 C ATOM 1891 CG ARG A 129 3.656 -14.678 8.986 1.00 0.00 C ATOM 1892 CD ARG A 129 3.179 -15.981 8.457 1.00 0.00 C ATOM 1893 NE ARG A 129 2.895 -16.928 9.523 1.00 0.00 N ATOM 1894 CZ ARG A 129 1.702 -17.053 10.138 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.696 -16.284 9.783 1.00 0.00 N ATOM 1896 NH2 ARG A 129 1.544 -17.946 11.100 1.00 0.00 N ATOM 0 H ARG A 129 4.374 -11.851 6.284 1.00 0.00 H new ATOM 0 HA ARG A 129 3.568 -11.880 8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.086 -13.609 7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 129 4.767 -14.105 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 129 4.551 -14.835 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.899 -14.254 9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.279 -15.824 7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.933 -16.400 7.790 1.00 0.00 H new ATOM 0 HE ARG A 129 3.652 -17.541 9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.819 -15.593 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.207 -16.378 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 129 2.325 -18.541 11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.641 -18.040 11.565 1.00 0.00 H new ATOM 1910 N THR A 130 6.772 -12.529 8.512 1.00 0.00 N ATOM 1911 CA THR A 130 8.045 -12.704 9.202 1.00 0.00 C ATOM 1912 C THR A 130 8.763 -11.372 9.381 1.00 0.00 C ATOM 1913 O THR A 130 9.953 -11.334 9.692 1.00 0.00 O ATOM 1914 CB THR A 130 8.958 -13.685 8.443 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.216 -13.180 7.126 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.300 -15.053 8.337 1.00 0.00 C ATOM 0 H THR A 130 6.843 -12.517 7.495 1.00 0.00 H new ATOM 0 HA THR A 130 7.823 -13.118 10.186 1.00 0.00 H new ATOM 0 HB THR A 130 9.894 -13.785 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.407 -13.263 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.959 -15.733 7.798 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.113 -15.445 9.337 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.356 -14.962 7.801 1.00 0.00 H new ATOM 1924 N MET A 131 8.031 -10.281 9.182 1.00 0.00 N ATOM 1925 CA MET A 131 8.577 -8.945 9.391 1.00 0.00 C ATOM 1926 C MET A 131 9.017 -8.749 10.836 1.00 0.00 C ATOM 1927 O MET A 131 8.354 -9.209 11.765 1.00 0.00 O ATOM 1928 CB MET A 131 7.547 -7.888 8.999 1.00 0.00 C ATOM 1929 CG MET A 131 8.074 -6.459 9.016 1.00 0.00 C ATOM 1930 SD MET A 131 6.794 -5.242 8.642 1.00 0.00 S ATOM 1931 CE MET A 131 6.581 -5.505 6.884 1.00 0.00 C ATOM 0 H MET A 131 7.058 -10.296 8.876 1.00 0.00 H new ATOM 0 HA MET A 131 9.456 -8.835 8.756 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.175 -8.113 7.999 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.697 -7.957 9.678 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.499 -6.244 9.996 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.882 -6.365 8.291 1.00 0.00 H new ATOM 0 HE1 MET A 131 6.418 -4.547 6.390 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.475 -5.976 6.476 1.00 0.00 H new ATOM 0 HE3 MET A 131 5.720 -6.152 6.715 1.00 0.00 H new ATOM 1941 N LYS A 132 10.140 -8.063 11.020 1.00 0.00 N ATOM 1942 CA LYS A 132 10.634 -7.743 12.353 1.00 0.00 C ATOM 1943 C LYS A 132 10.535 -6.248 12.633 1.00 0.00 C ATOM 1944 O LYS A 132 10.576 -5.431 11.714 1.00 0.00 O ATOM 1945 CB LYS A 132 12.079 -8.214 12.517 1.00 0.00 C ATOM 1946 CG LYS A 132 12.262 -9.724 12.446 1.00 0.00 C ATOM 1947 CD LYS A 132 13.722 -10.114 12.621 1.00 0.00 C ATOM 1948 CE LYS A 132 13.904 -11.623 12.553 1.00 0.00 C ATOM 1949 NZ LYS A 132 15.327 -12.020 12.731 1.00 0.00 N ATOM 0 H LYS A 132 10.726 -7.717 10.260 1.00 0.00 H new ATOM 0 HA LYS A 132 10.008 -8.267 13.075 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.689 -7.750 11.742 1.00 0.00 H new ATOM 0 HB3 LYS A 132 12.457 -7.859 13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.661 -10.202 13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.898 -10.092 11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.323 -9.638 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.087 -9.745 13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 132 13.296 -12.097 13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.543 -11.989 11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.408 -13.056 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.904 -11.589 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.665 -11.693 13.659 1.00 0.00 H new ATOM 1963 N ASN A 133 10.403 -5.899 13.908 1.00 0.00 N ATOM 1964 CA ASN A 133 10.289 -4.501 14.311 1.00 0.00 C ATOM 1965 C ASN A 133 11.568 -3.733 14.002 1.00 0.00 C ATOM 1966 O ASN A 133 12.663 -4.165 14.357 1.00 0.00 O ATOM 1967 CB ASN A 133 9.945 -4.398 15.785 1.00 0.00 C ATOM 1968 CG ASN A 133 9.715 -2.979 16.225 1.00 0.00 C ATOM 1969 OD1 ASN A 133 10.652 -2.175 16.288 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.484 -2.655 16.533 1.00 0.00 N ATOM 0 H ASN A 133 10.372 -6.564 14.681 1.00 0.00 H new ATOM 0 HA ASN A 133 9.481 -4.050 13.735 1.00 0.00 H new ATOM 0 HB2 ASN A 133 9.051 -4.987 15.988 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.753 -4.831 16.374 1.00 0.00 H new ATOM 0 HD21 ASN A 133 8.268 -1.706 16.840 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.742 -3.351 16.466 1.00 0.00 H new ATOM 1977 N GLY A 134 11.419 -2.591 13.340 1.00 0.00 N ATOM 1978 CA GLY A 134 12.548 -1.706 13.078 1.00 0.00 C ATOM 1979 C GLY A 134 13.167 -1.990 11.715 1.00 0.00 C ATOM 1980 O GLY A 134 14.165 -1.378 11.336 1.00 0.00 O ATOM 0 H GLY A 134 10.527 -2.256 12.975 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.217 -0.668 13.121 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.301 -1.833 13.856 1.00 0.00 H new ATOM 1984 N ASP A 135 12.566 -2.921 10.981 1.00 0.00 N ATOM 1985 CA ASP A 135 13.021 -3.246 9.635 1.00 0.00 C ATOM 1986 C ASP A 135 12.951 -2.029 8.721 1.00 0.00 C ATOM 1987 O ASP A 135 11.996 -1.253 8.776 1.00 0.00 O ATOM 1988 CB ASP A 135 12.182 -4.383 9.045 1.00 0.00 C ATOM 1989 CG ASP A 135 12.597 -5.754 9.560 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.583 -5.833 10.255 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.924 -6.709 9.255 1.00 0.00 O ATOM 0 H ASP A 135 11.762 -3.464 11.297 1.00 0.00 H new ATOM 0 HA ASP A 135 14.060 -3.566 9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.132 -4.214 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 135 12.270 -4.367 7.959 1.00 0.00 H new ATOM 1996 N VAL A 136 13.968 -1.867 7.882 1.00 0.00 N ATOM 1997 CA VAL A 136 14.122 -0.652 7.090 1.00 0.00 C ATOM 1998 C VAL A 136 13.593 -0.846 5.675 1.00 0.00 C ATOM 1999 O VAL A 136 13.904 -1.837 5.016 1.00 0.00 O ATOM 2000 CB VAL A 136 15.605 -0.238 7.028 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.769 1.032 6.208 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.146 -0.045 8.437 1.00 0.00 C ATOM 0 H VAL A 136 14.699 -2.563 7.733 1.00 0.00 H new ATOM 0 HA VAL A 136 13.543 0.134 7.574 1.00 0.00 H new ATOM 0 HB VAL A 136 16.175 -1.029 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.822 1.310 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.407 0.860 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.195 1.838 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.195 0.248 8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.575 0.734 8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.056 -0.979 8.992 1.00 0.00 H new ATOM 2012 N MET A 137 12.791 0.108 5.213 1.00 0.00 N ATOM 2013 CA MET A 137 12.296 0.095 3.842 1.00 0.00 C ATOM 2014 C MET A 137 13.337 0.644 2.876 1.00 0.00 C ATOM 2015 O MET A 137 13.507 1.856 2.754 1.00 0.00 O ATOM 2016 CB MET A 137 10.999 0.897 3.741 1.00 0.00 C ATOM 2017 CG MET A 137 9.839 0.321 4.541 1.00 0.00 C ATOM 2018 SD MET A 137 8.292 1.202 4.253 1.00 0.00 S ATOM 2019 CE MET A 137 8.540 2.660 5.262 1.00 0.00 C ATOM 0 H MET A 137 12.470 0.901 5.769 1.00 0.00 H new ATOM 0 HA MET A 137 12.094 -0.940 3.564 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.188 1.915 4.081 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.706 0.960 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.709 -0.729 4.280 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.081 0.358 5.603 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.584 2.987 5.670 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.222 2.425 6.079 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.965 3.457 4.652 1.00 0.00 H new ATOM 2029 N LYS A 138 14.033 -0.256 2.189 1.00 0.00 N ATOM 2030 CA LYS A 138 15.134 0.131 1.315 1.00 0.00 C ATOM 2031 C LYS A 138 14.652 1.039 0.191 1.00 0.00 C ATOM 2032 O LYS A 138 15.241 2.090 -0.066 1.00 0.00 O ATOM 2033 CB LYS A 138 15.817 -1.109 0.734 1.00 0.00 C ATOM 2034 CG LYS A 138 16.985 -0.805 -0.196 1.00 0.00 C ATOM 2035 CD LYS A 138 17.677 -2.083 -0.648 1.00 0.00 C ATOM 2036 CE LYS A 138 18.825 -1.783 -1.601 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.485 -3.026 -2.085 1.00 0.00 N ATOM 0 H LYS A 138 13.854 -1.260 2.221 1.00 0.00 H new ATOM 0 HA LYS A 138 15.857 0.685 1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.174 -1.731 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.077 -1.695 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.627 -0.255 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.702 -0.162 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.054 -2.622 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.955 -2.736 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.450 -1.216 -2.453 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.560 -1.154 -1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.261 -2.778 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.865 -3.555 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.791 -3.615 -2.588 1.00 0.00 H new ATOM 2051 N GLU A 139 13.580 0.627 -0.477 1.00 0.00 N ATOM 2052 CA GLU A 139 13.079 1.350 -1.639 1.00 0.00 C ATOM 2053 C GLU A 139 11.570 1.189 -1.779 1.00 0.00 C ATOM 2054 O GLU A 139 11.075 0.099 -2.065 1.00 0.00 O ATOM 2055 CB GLU A 139 13.773 0.860 -2.912 1.00 0.00 C ATOM 2056 CG GLU A 139 13.315 1.556 -4.186 1.00 0.00 C ATOM 2057 CD GLU A 139 14.108 1.144 -5.395 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.066 0.425 -5.237 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.755 1.548 -6.478 1.00 0.00 O ATOM 0 H GLU A 139 13.041 -0.204 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 139 13.300 2.407 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.848 1.001 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.601 -0.211 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.261 1.335 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.397 2.635 -4.054 1.00 0.00 H new ATOM 2066 N VAL A 140 10.842 2.282 -1.576 1.00 0.00 N ATOM 2067 CA VAL A 140 9.392 2.276 -1.721 1.00 0.00 C ATOM 2068 C VAL A 140 8.951 3.155 -2.885 1.00 0.00 C ATOM 2069 O VAL A 140 9.238 4.351 -2.915 1.00 0.00 O ATOM 2070 CB VAL A 140 8.722 2.770 -0.425 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.207 2.722 -0.558 1.00 0.00 C ATOM 2072 CG2 VAL A 140 9.187 1.927 0.752 1.00 0.00 C ATOM 0 H VAL A 140 11.234 3.185 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 140 9.084 1.250 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 140 9.013 3.805 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.749 3.074 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.894 3.360 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.891 1.697 -0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.709 2.282 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.916 0.885 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.269 2.009 0.853 1.00 0.00 H new ATOM 2082 N LYS A 141 8.253 2.554 -3.842 1.00 0.00 N ATOM 2083 CA LYS A 141 7.843 3.260 -5.050 1.00 0.00 C ATOM 2084 C LYS A 141 6.501 2.750 -5.559 1.00 0.00 C ATOM 2085 O LYS A 141 6.145 1.591 -5.344 1.00 0.00 O ATOM 2086 CB LYS A 141 8.907 3.120 -6.141 1.00 0.00 C ATOM 2087 CG LYS A 141 10.185 3.907 -5.878 1.00 0.00 C ATOM 2088 CD LYS A 141 11.186 3.727 -7.008 1.00 0.00 C ATOM 2089 CE LYS A 141 12.434 4.568 -6.783 1.00 0.00 C ATOM 2090 NZ LYS A 141 13.558 4.142 -7.661 1.00 0.00 N ATOM 0 H LYS A 141 7.959 1.578 -3.804 1.00 0.00 H new ATOM 0 HA LYS A 141 7.732 4.314 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.160 2.066 -6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.482 3.447 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 141 9.947 4.965 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.630 3.579 -4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.463 2.676 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.723 4.006 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.204 5.617 -6.972 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.740 4.492 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 14.372 4.772 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 13.829 3.165 -7.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.259 4.191 -8.656 1.00 0.00 H new ATOM 2104 N VAL A 142 5.760 3.620 -6.235 1.00 0.00 N ATOM 2105 CA VAL A 142 4.479 3.244 -6.821 1.00 0.00 C ATOM 2106 C VAL A 142 4.434 3.579 -8.308 1.00 0.00 C ATOM 2107 O VAL A 142 4.906 4.635 -8.729 1.00 0.00 O ATOM 2108 CB VAL A 142 3.327 3.968 -6.100 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.994 3.629 -6.751 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.320 3.590 -4.626 1.00 0.00 C ATOM 0 H VAL A 142 6.025 4.593 -6.391 1.00 0.00 H new ATOM 0 HA VAL A 142 4.364 2.167 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 142 3.478 5.044 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.191 4.149 -6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.009 3.941 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.825 2.554 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.503 4.106 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.185 2.513 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.267 3.880 -4.171 1.00 0.00 H new ATOM 2120 N PHE A 143 3.865 2.674 -9.095 1.00 0.00 N ATOM 2121 CA PHE A 143 3.923 2.779 -10.549 1.00 0.00 C ATOM 2122 C PHE A 143 2.570 2.471 -11.178 1.00 0.00 C ATOM 2123 O PHE A 143 1.652 2.006 -10.502 1.00 0.00 O ATOM 2124 CB PHE A 143 4.981 1.827 -11.110 1.00 0.00 C ATOM 2125 CG PHE A 143 4.723 0.381 -10.797 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.192 -0.184 -9.620 1.00 0.00 C ATOM 2127 CD2 PHE A 143 4.010 -0.418 -11.678 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.956 -1.513 -9.331 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.772 -1.749 -11.391 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.245 -2.297 -10.217 1.00 0.00 C ATOM 0 H PHE A 143 3.358 1.859 -8.751 1.00 0.00 H new ATOM 0 HA PHE A 143 4.193 3.805 -10.797 1.00 0.00 H new ATOM 0 HB2 PHE A 143 5.031 1.951 -12.192 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.956 2.107 -10.711 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.748 0.423 -8.921 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.636 0.005 -12.599 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.328 -1.940 -8.411 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.216 -2.360 -12.086 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.060 -3.337 -9.992 1.00 0.00 H new ATOM 2140 N ASP A 144 2.453 2.733 -12.475 1.00 0.00 N ATOM 2141 CA ASP A 144 1.226 2.446 -13.207 1.00 0.00 C ATOM 2142 C ASP A 144 1.312 1.104 -13.921 1.00 0.00 C ATOM 2143 O ASP A 144 2.311 0.800 -14.574 1.00 0.00 O ATOM 2144 CB ASP A 144 0.936 3.553 -14.223 1.00 0.00 C ATOM 2145 CG ASP A 144 0.648 4.898 -13.568 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.161 4.939 -12.673 1.00 0.00 O ATOM 2147 OD2 ASP A 144 1.240 5.870 -13.971 1.00 0.00 O ATOM 0 H ASP A 144 3.195 3.144 -13.042 1.00 0.00 H new ATOM 0 HA ASP A 144 0.412 2.401 -12.483 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.789 3.656 -14.894 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.082 3.263 -14.836 1.00 0.00 H new ATOM 2152 N GLU A 145 0.259 0.303 -13.794 1.00 0.00 N ATOM 2153 CA GLU A 145 0.210 -1.006 -14.435 1.00 0.00 C ATOM 2154 C GLU A 145 -1.077 -1.181 -15.231 1.00 0.00 C ATOM 2155 O GLU A 145 -2.172 -0.939 -14.721 1.00 0.00 O ATOM 2156 CB GLU A 145 0.330 -2.117 -13.391 1.00 0.00 C ATOM 2157 CG GLU A 145 0.419 -3.521 -13.972 1.00 0.00 C ATOM 2158 CD GLU A 145 0.590 -4.581 -12.920 1.00 0.00 C ATOM 2159 OE1 GLU A 145 -0.303 -4.750 -12.125 1.00 0.00 O ATOM 2160 OE2 GLU A 145 1.614 -5.222 -12.913 1.00 0.00 O ATOM 0 H GLU A 145 -0.573 0.538 -13.252 1.00 0.00 H new ATOM 0 HA GLU A 145 1.052 -1.071 -15.124 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.215 -1.932 -12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.531 -2.067 -12.725 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.484 -3.729 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 145 1.257 -3.568 -14.667 1.00 0.00 H new ATOM 2167 N PRO A 146 -0.940 -1.604 -16.483 1.00 0.00 N ATOM 2168 CA PRO A 146 -2.092 -1.806 -17.354 1.00 0.00 C ATOM 2169 C PRO A 146 -2.804 -3.114 -17.032 1.00 0.00 C ATOM 2170 O PRO A 146 -3.762 -3.105 -16.746 1.00 0.00 O ATOM 2171 CB PRO A 146 -1.467 -1.833 -18.752 1.00 0.00 C ATOM 2172 CG PRO A 146 -0.109 -2.408 -18.534 1.00 0.00 C ATOM 2173 CD PRO A 146 0.331 -1.838 -17.213 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.215 -4.156 -17.122 1.00 0.00 O ATOM 0 HA PRO A 146 -2.855 -1.036 -17.245 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -2.053 -2.444 -19.438 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -1.412 -0.833 -19.183 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.138 -3.497 -18.507 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.575 -2.128 -19.335 1.00 0.00 H new ATOM 0 HD2 PRO A 146 0.979 -2.530 -16.675 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.892 -0.913 -17.344 1.00 0.00 H new