USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 ASN : amide:sc= 0.505 K(o=0.88,f=-1.6!) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.379 K(o=0.88,f=-3.4!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= 1.02 K(o=3,f=-4.7) USER MOD Set 2.2: A 65 LYS NZ :NH3+ -177:sc= 2.03 (180deg=0.708) USER MOD Set 3.1: A 38 GLN : amide:sc= 0.758 K(o=0.59,f=-2.9!) USER MOD Set 3.2: A 43 ASN : amide:sc= -0.165 K(o=0.59,f=-2!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.893 USER MOD Single : A 11 ASN : amide:sc= -0.214 K(o=-0.21,f=-9.2!) USER MOD Single : A 14 THR OG1 : rot 170:sc= 0 USER MOD Single : A 15 MET CE :methyl -117:sc= -0.119 (180deg=-1.44) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 150:sc= -0.436 USER MOD Single : A 27 THR OG1 : rot -29:sc= 0.0274 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 67:sc= 0.215 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -73:sc= 0.799 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -49:sc= 0.7 USER MOD Single : A 56 HIS : no HE2:sc= 0.0518 K(o=0.052,f=-2.2!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -11.487 3.472 4.672 1.00 50.00 N ATOM 21 CA LYS A 2 -11.030 4.828 4.949 1.00 50.00 C ATOM 22 C LYS A 2 -9.742 4.821 5.762 1.00 50.00 C ATOM 23 O LYS A 2 -9.713 4.329 6.891 1.00 50.00 O ATOM 24 CB LYS A 2 -12.112 5.619 5.685 1.00 50.00 C ATOM 25 CG LYS A 2 -11.763 7.081 5.936 1.00 50.00 C ATOM 26 CD LYS A 2 -12.931 7.829 6.562 1.00 50.00 C ATOM 27 CE LYS A 2 -12.531 9.239 6.968 1.00 75.00 C ATOM 28 NZ LYS A 2 -13.663 9.984 7.582 1.00 75.00 N ATOM 0 HA LYS A 2 -10.827 5.312 3.994 1.00 50.00 H new ATOM 0 HB2 LYS A 2 -13.035 5.573 5.107 1.00 50.00 H new ATOM 0 HB3 LYS A 2 -12.310 5.136 6.642 1.00 50.00 H new ATOM 0 HG2 LYS A 2 -10.895 7.142 6.593 1.00 50.00 H new ATOM 0 HG3 LYS A 2 -11.485 7.557 4.996 1.00 50.00 H new ATOM 0 HD2 LYS A 2 -13.759 7.873 5.854 1.00 50.00 H new ATOM 0 HD3 LYS A 2 -13.288 7.284 7.436 1.00 50.00 H new ATOM 0 HE2 LYS A 2 -11.702 9.192 7.675 1.00 75.00 H new ATOM 0 HE3 LYS A 2 -12.173 9.781 6.093 1.00 75.00 H new ATOM 0 HZ1 LYS A 2 -13.348 10.940 7.844 1.00 75.00 H new ATOM 0 HZ2 LYS A 2 -14.445 10.052 6.899 1.00 75.00 H new ATOM 0 HZ3 LYS A 2 -13.989 9.482 8.432 1.00 75.00 H new ATOM 42 N ILE A 3 -8.679 5.368 5.182 1.00 50.00 N ATOM 43 CA ILE A 3 -7.398 5.469 5.872 1.00 50.00 C ATOM 44 C ILE A 3 -7.503 6.365 7.100 1.00 50.00 C ATOM 45 O ILE A 3 -8.277 7.322 7.119 1.00 50.00 O ATOM 46 CB ILE A 3 -6.298 6.016 4.942 1.00 50.00 C ATOM 47 CG1 ILE A 3 -4.915 5.768 5.551 1.00 50.00 C ATOM 48 CG2 ILE A 3 -6.511 7.499 4.681 1.00 50.00 C ATOM 49 CD1 ILE A 3 -3.773 6.014 4.590 1.00 50.00 C ATOM 0 H ILE A 3 -8.679 5.748 4.236 1.00 50.00 H new ATOM 0 HA ILE A 3 -7.129 4.460 6.185 1.00 50.00 H new ATOM 0 HB ILE A 3 -6.354 5.490 3.989 1.00 50.00 H new ATOM 0 HG12 ILE A 3 -4.791 6.412 6.421 1.00 50.00 H new ATOM 0 HG13 ILE A 3 -4.864 4.739 5.906 1.00 50.00 H new ATOM 0 HG21 ILE A 3 -5.725 7.869 4.022 1.00 50.00 H new ATOM 0 HG22 ILE A 3 -7.482 7.650 4.208 1.00 50.00 H new ATOM 0 HG23 ILE A 3 -6.479 8.043 5.625 1.00 50.00 H new ATOM 0 HD11 ILE A 3 -2.826 5.818 5.093 1.00 50.00 H new ATOM 0 HD12 ILE A 3 -3.872 5.351 3.730 1.00 50.00 H new ATOM 0 HD13 ILE A 3 -3.797 7.051 4.254 1.00 50.00 H new ATOM 61 N ILE A 4 -6.719 6.048 8.125 1.00 10.00 N ATOM 62 CA ILE A 4 -6.573 6.928 9.279 1.00 10.00 C ATOM 63 C ILE A 4 -5.231 7.647 9.255 1.00 10.00 C ATOM 64 O ILE A 4 -5.172 8.875 9.314 1.00 50.00 O ATOM 65 CB ILE A 4 -6.707 6.153 10.601 1.00 50.00 C ATOM 66 CG1 ILE A 4 -8.111 5.556 10.732 1.00 50.00 C ATOM 67 CG2 ILE A 4 -6.400 7.059 11.783 1.00 50.00 C ATOM 68 CD1 ILE A 4 -8.292 4.678 11.949 1.00 50.00 C ATOM 0 H ILE A 4 -6.174 5.187 8.180 1.00 10.00 H new ATOM 0 HA ILE A 4 -7.376 7.663 9.218 1.00 10.00 H new ATOM 0 HB ILE A 4 -5.985 5.337 10.597 1.00 50.00 H new ATOM 0 HG12 ILE A 4 -8.838 6.367 10.770 1.00 50.00 H new ATOM 0 HG13 ILE A 4 -8.332 4.972 9.839 1.00 50.00 H new ATOM 0 HG21 ILE A 4 -6.500 6.494 12.710 1.00 50.00 H new ATOM 0 HG22 ILE A 4 -5.381 7.437 11.696 1.00 50.00 H new ATOM 0 HG23 ILE A 4 -7.098 7.896 11.791 1.00 50.00 H new ATOM 0 HD11 ILE A 4 -9.311 4.293 11.972 1.00 50.00 H new ATOM 0 HD12 ILE A 4 -7.590 3.845 11.904 1.00 50.00 H new ATOM 0 HD13 ILE A 4 -8.105 5.262 12.850 1.00 50.00 H new ATOM 80 N SER A 5 -4.153 6.875 9.170 1.00 10.00 N ATOM 81 CA SER A 5 -2.807 7.437 9.144 1.00 10.00 C ATOM 82 C SER A 5 -1.796 6.421 8.629 1.00 10.00 C ATOM 83 O SER A 5 -2.109 5.240 8.479 1.00 50.00 O ATOM 84 CB SER A 5 -2.415 7.917 10.528 1.00 50.00 C ATOM 85 OG SER A 5 -2.277 6.858 11.434 1.00 50.00 O ATOM 0 H SER A 5 -4.185 5.857 9.118 1.00 10.00 H new ATOM 0 HA SER A 5 -2.807 8.286 8.460 1.00 10.00 H new ATOM 0 HB2 SER A 5 -1.476 8.467 10.468 1.00 50.00 H new ATOM 0 HB3 SER A 5 -3.169 8.613 10.897 1.00 50.00 H new ATOM 0 HG SER A 5 -2.022 7.210 12.312 1.00 50.00 H new ATOM 91 N ILE A 6 -0.582 6.888 8.359 1.00 10.00 N ATOM 92 CA ILE A 6 0.493 6.012 7.907 1.00 10.00 C ATOM 93 C ILE A 6 1.720 6.137 8.801 1.00 10.00 C ATOM 94 O ILE A 6 2.176 7.242 9.092 1.00 50.00 O ATOM 95 CB ILE A 6 0.896 6.318 6.453 1.00 50.00 C ATOM 96 CG1 ILE A 6 -0.315 6.186 5.524 1.00 50.00 C ATOM 97 CG2 ILE A 6 2.017 5.392 6.006 1.00 50.00 C ATOM 98 CD1 ILE A 6 -0.025 6.556 4.087 1.00 50.00 C ATOM 0 H ILE A 6 -0.317 7.869 8.445 1.00 10.00 H new ATOM 0 HA ILE A 6 0.111 4.993 7.962 1.00 10.00 H new ATOM 0 HB ILE A 6 1.258 7.345 6.402 1.00 50.00 H new ATOM 0 HG12 ILE A 6 -0.678 5.159 5.559 1.00 50.00 H new ATOM 0 HG13 ILE A 6 -1.119 6.820 5.898 1.00 50.00 H new ATOM 0 HG21 ILE A 6 2.290 5.622 4.976 1.00 50.00 H new ATOM 0 HG22 ILE A 6 2.884 5.533 6.651 1.00 50.00 H new ATOM 0 HG23 ILE A 6 1.681 4.357 6.070 1.00 50.00 H new ATOM 0 HD11 ILE A 6 -0.930 6.437 3.491 1.00 50.00 H new ATOM 0 HD12 ILE A 6 0.308 7.593 4.038 1.00 50.00 H new ATOM 0 HD13 ILE A 6 0.756 5.905 3.694 1.00 50.00 H new ATOM 110 N SER A 7 2.249 4.997 9.234 1.00 10.00 N ATOM 111 CA SER A 7 3.438 4.976 10.074 1.00 10.00 C ATOM 112 C SER A 7 4.597 4.281 9.372 1.00 10.00 C ATOM 113 O SER A 7 4.432 3.204 8.797 1.00 50.00 O ATOM 114 CB SER A 7 3.134 4.292 11.393 1.00 50.00 C ATOM 115 OG SER A 7 4.284 4.121 12.175 1.00 50.00 O ATOM 0 H SER A 7 1.871 4.075 9.016 1.00 10.00 H new ATOM 0 HA SER A 7 3.734 6.007 10.268 1.00 10.00 H new ATOM 0 HB2 SER A 7 2.404 4.882 11.947 1.00 50.00 H new ATOM 0 HB3 SER A 7 2.679 3.320 11.201 1.00 50.00 H new ATOM 0 HG SER A 7 4.045 3.679 13.016 1.00 50.00 H new ATOM 121 N GLU A 8 5.771 4.903 9.421 1.00 10.00 N ATOM 122 CA GLU A 8 6.988 4.280 8.914 1.00 50.00 C ATOM 123 C GLU A 8 7.425 3.122 9.801 1.00 10.00 C ATOM 124 O GLU A 8 6.874 2.913 10.881 1.00 50.00 O ATOM 125 CB GLU A 8 8.113 5.314 8.807 1.00 50.00 C ATOM 126 CG GLU A 8 8.561 5.896 10.141 1.00 50.00 C ATOM 127 CD GLU A 8 9.657 6.907 9.954 1.00 50.00 C ATOM 128 OE1 GLU A 8 10.021 7.161 8.832 1.00 50.00 O ATOM 129 OE2 GLU A 8 10.054 7.509 10.925 1.00 50.00 O ATOM 0 H GLU A 8 5.905 5.838 9.807 1.00 10.00 H new ATOM 0 HA GLU A 8 6.772 3.885 7.921 1.00 50.00 H new ATOM 0 HB2 GLU A 8 8.971 4.850 8.320 1.00 50.00 H new ATOM 0 HB3 GLU A 8 7.782 6.128 8.162 1.00 50.00 H new ATOM 0 HG2 GLU A 8 7.712 6.364 10.639 1.00 50.00 H new ATOM 0 HG3 GLU A 8 8.910 5.094 10.792 1.00 50.00 H new ATOM 136 N THR A 9 8.419 2.371 9.338 1.00 50.00 N ATOM 137 CA THR A 9 8.892 1.196 10.060 1.00 10.00 C ATOM 138 C THR A 9 10.415 1.156 10.110 1.00 10.00 C ATOM 139 O THR A 9 11.087 1.894 9.391 1.00 50.00 O ATOM 140 CB THR A 9 8.375 -0.106 9.422 1.00 50.00 C ATOM 141 OG1 THR A 9 9.077 -0.352 8.195 1.00 50.00 O ATOM 142 CG2 THR A 9 6.884 -0.005 9.138 1.00 50.00 C ATOM 0 H THR A 9 8.913 2.556 8.465 1.00 50.00 H new ATOM 0 HA THR A 9 8.500 1.273 11.074 1.00 10.00 H new ATOM 0 HB THR A 9 8.547 -0.927 10.118 1.00 50.00 H new ATOM 0 HG1 THR A 9 8.577 0.039 7.448 1.00 50.00 H new ATOM 0 HG21 THR A 9 6.536 -0.934 8.687 1.00 50.00 H new ATOM 0 HG22 THR A 9 6.347 0.170 10.070 1.00 50.00 H new ATOM 0 HG23 THR A 9 6.699 0.822 8.453 1.00 50.00 H new ATOM 150 N PRO A 10 10.950 0.290 10.963 1.00 50.00 N ATOM 151 CA PRO A 10 12.395 0.125 11.079 1.00 50.00 C ATOM 152 C PRO A 10 13.023 -0.193 9.728 1.00 50.00 C ATOM 153 O PRO A 10 14.183 0.137 9.480 1.00 50.00 O ATOM 154 CB PRO A 10 12.560 -1.027 12.076 1.00 50.00 C ATOM 155 CG PRO A 10 11.313 -0.994 12.892 1.00 50.00 C ATOM 156 CD PRO A 10 10.224 -0.575 11.940 1.00 50.00 C ATOM 0 HA PRO A 10 12.898 1.031 11.417 1.00 50.00 H new ATOM 0 HB2 PRO A 10 12.674 -1.982 11.564 1.00 50.00 H new ATOM 0 HB3 PRO A 10 13.445 -0.891 12.697 1.00 50.00 H new ATOM 0 HG2 PRO A 10 11.101 -1.971 13.326 1.00 50.00 H new ATOM 0 HG3 PRO A 10 11.403 -0.291 13.720 1.00 50.00 H new ATOM 0 HD2 PRO A 10 9.761 -1.433 11.453 1.00 50.00 H new ATOM 0 HD3 PRO A 10 9.429 -0.030 12.450 1.00 50.00 H new ATOM 164 N ASN A 11 12.251 -0.834 8.858 1.00 50.00 N ATOM 165 CA ASN A 11 12.684 -1.085 7.489 1.00 50.00 C ATOM 166 C ASN A 11 12.140 -0.029 6.536 1.00 50.00 C ATOM 167 O ASN A 11 10.941 0.016 6.265 1.00 50.00 O ATOM 168 CB ASN A 11 12.277 -2.470 7.023 1.00 50.00 C ATOM 169 CG ASN A 11 12.782 -2.821 5.651 1.00 50.00 C ATOM 170 OD1 ASN A 11 13.180 -1.947 4.872 1.00 75.00 O ATOM 171 ND2 ASN A 11 12.693 -4.084 5.322 1.00 50.00 N ATOM 0 H ASN A 11 11.321 -1.190 9.077 1.00 50.00 H new ATOM 0 HA ASN A 11 13.773 -1.029 7.482 1.00 50.00 H new ATOM 0 HB2 ASN A 11 12.648 -3.207 7.736 1.00 50.00 H new ATOM 0 HB3 ASN A 11 11.189 -2.540 7.029 1.00 50.00 H new ATOM 0 HD21 ASN A 11 12.958 -4.387 4.385 1.00 50.00 H new ATOM 0 HD22 ASN A 11 12.358 -4.766 6.003 1.00 50.00 H new ATOM 178 N HIS A 12 13.029 0.819 6.031 1.00 50.00 N ATOM 179 CA HIS A 12 12.628 1.935 5.182 1.00 50.00 C ATOM 180 C HIS A 12 11.710 1.469 4.059 1.00 50.00 C ATOM 181 O HIS A 12 10.740 2.145 3.717 1.00 50.00 O ATOM 182 CB HIS A 12 13.856 2.637 4.595 1.00 50.00 C ATOM 183 CG HIS A 12 13.526 3.655 3.548 1.00 50.00 C ATOM 184 ND1 HIS A 12 13.102 4.930 3.859 1.00 75.00 N ATOM 185 CD2 HIS A 12 13.554 3.586 2.197 1.00 50.00 C ATOM 186 CE1 HIS A 12 12.884 5.602 2.742 1.00 75.00 C ATOM 187 NE2 HIS A 12 13.152 4.810 1.720 1.00 75.00 N ATOM 0 H HIS A 12 14.034 0.755 6.195 1.00 50.00 H new ATOM 0 HA HIS A 12 12.080 2.643 5.804 1.00 50.00 H new ATOM 0 HB2 HIS A 12 14.405 3.123 5.401 1.00 50.00 H new ATOM 0 HB3 HIS A 12 14.520 1.888 4.164 1.00 50.00 H new ATOM 0 HD1 HIS A 12 12.976 5.297 4.803 1.00 75.00 H new ATOM 0 HD2 HIS A 12 13.839 2.729 1.605 1.00 50.00 H new ATOM 0 HE1 HIS A 12 12.544 6.625 2.676 1.00 75.00 H new ATOM 195 N ASN A 13 12.021 0.310 3.490 1.00 10.00 N ATOM 196 CA ASN A 13 11.446 -0.095 2.211 1.00 10.00 C ATOM 197 C ASN A 13 9.941 -0.299 2.325 1.00 10.00 C ATOM 198 O ASN A 13 9.218 -0.230 1.331 1.00 50.00 O ATOM 199 CB ASN A 13 12.107 -1.351 1.679 1.00 50.00 C ATOM 200 CG ASN A 13 13.475 -1.118 1.101 1.00 50.00 C ATOM 201 OD1 ASN A 13 13.867 0.020 0.821 1.00 50.00 O ATOM 202 ND2 ASN A 13 14.172 -2.196 0.846 1.00 50.00 N ATOM 0 H ASN A 13 12.669 -0.367 3.894 1.00 10.00 H new ATOM 0 HA ASN A 13 11.632 0.713 1.503 1.00 10.00 H new ATOM 0 HB2 ASN A 13 12.183 -2.080 2.486 1.00 50.00 H new ATOM 0 HB3 ASN A 13 11.469 -1.790 0.912 1.00 50.00 H new ATOM 0 HD21 ASN A 13 15.084 -2.119 0.396 1.00 50.00 H new ATOM 0 HD22 ASN A 13 13.803 -3.113 1.097 1.00 50.00 H new ATOM 209 N THR A 14 9.473 -0.548 3.544 1.00 10.00 N ATOM 210 CA THR A 14 8.067 -0.859 3.776 1.00 10.00 C ATOM 211 C THR A 14 7.452 0.092 4.793 1.00 10.00 C ATOM 212 O THR A 14 8.121 0.538 5.724 1.00 50.00 O ATOM 213 CB THR A 14 7.884 -2.308 4.268 1.00 50.00 C ATOM 214 OG1 THR A 14 6.487 -2.609 4.365 1.00 50.00 O ATOM 215 CG2 THR A 14 8.535 -2.494 5.630 1.00 50.00 C ATOM 0 H THR A 14 10.047 -0.540 4.387 1.00 10.00 H new ATOM 0 HA THR A 14 7.558 -0.741 2.820 1.00 10.00 H new ATOM 0 HB THR A 14 8.359 -2.981 3.554 1.00 50.00 H new ATOM 0 HG1 THR A 14 6.369 -3.569 4.520 1.00 50.00 H new ATOM 0 HG21 THR A 14 8.396 -3.523 5.962 1.00 50.00 H new ATOM 0 HG22 THR A 14 9.601 -2.277 5.557 1.00 50.00 H new ATOM 0 HG23 THR A 14 8.075 -1.816 6.349 1.00 50.00 H new ATOM 223 N MET A 15 6.173 0.401 4.608 1.00 10.00 N ATOM 224 CA MET A 15 5.453 1.267 5.533 1.00 10.00 C ATOM 225 C MET A 15 4.093 0.680 5.890 1.00 10.00 C ATOM 226 O MET A 15 3.522 -0.101 5.128 1.00 50.00 O ATOM 227 CB MET A 15 5.286 2.660 4.931 1.00 50.00 C ATOM 228 CG MET A 15 6.591 3.412 4.714 1.00 50.00 C ATOM 229 SD MET A 15 6.334 5.086 4.090 1.00 50.00 S ATOM 230 CE MET A 15 5.626 5.877 5.532 1.00 50.00 C ATOM 0 H MET A 15 5.613 0.064 3.825 1.00 10.00 H new ATOM 0 HA MET A 15 6.039 1.344 6.449 1.00 10.00 H new ATOM 0 HB2 MET A 15 4.770 2.570 3.975 1.00 50.00 H new ATOM 0 HB3 MET A 15 4.645 3.251 5.585 1.00 50.00 H new ATOM 0 HG2 MET A 15 7.139 3.459 5.655 1.00 50.00 H new ATOM 0 HG3 MET A 15 7.212 2.858 4.011 1.00 50.00 H new ATOM 0 HE1 MET A 15 4.611 6.204 5.306 1.00 50.00 H new ATOM 0 HE2 MET A 15 5.603 5.169 6.361 1.00 50.00 H new ATOM 0 HE3 MET A 15 6.232 6.740 5.808 1.00 50.00 H new ATOM 240 N LYS A 16 3.577 1.060 7.054 1.00 10.00 N ATOM 241 CA LYS A 16 2.344 0.482 7.571 1.00 10.00 C ATOM 242 C LYS A 16 1.199 1.484 7.515 1.00 10.00 C ATOM 243 O LYS A 16 1.334 2.622 7.963 1.00 50.00 O ATOM 244 CB LYS A 16 2.543 -0.009 9.006 1.00 50.00 C ATOM 245 CG LYS A 16 1.301 -0.615 9.642 1.00 50.00 C ATOM 246 CD LYS A 16 1.538 -0.956 11.106 1.00 50.00 C ATOM 247 CE LYS A 16 0.270 -1.471 11.769 1.00 50.00 C ATOM 248 NZ LYS A 16 0.478 -1.780 13.209 1.00 50.00 N ATOM 0 H LYS A 16 3.995 1.768 7.658 1.00 10.00 H new ATOM 0 HA LYS A 16 2.084 -0.367 6.939 1.00 10.00 H new ATOM 0 HB2 LYS A 16 3.340 -0.752 9.015 1.00 50.00 H new ATOM 0 HB3 LYS A 16 2.879 0.827 9.620 1.00 50.00 H new ATOM 0 HG2 LYS A 16 0.470 0.085 9.560 1.00 50.00 H new ATOM 0 HG3 LYS A 16 1.014 -1.515 9.099 1.00 50.00 H new ATOM 0 HD2 LYS A 16 2.322 -1.709 11.183 1.00 50.00 H new ATOM 0 HD3 LYS A 16 1.893 -0.071 11.634 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -0.519 -0.726 11.669 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -0.071 -2.368 11.252 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -0.411 -2.128 13.621 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 1.213 -2.510 13.305 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 0.778 -0.919 13.709 1.00 50.00 H new ATOM 262 N ILE A 17 0.069 1.053 6.964 1.00 10.00 N ATOM 263 CA ILE A 17 -1.091 1.923 6.816 1.00 10.00 C ATOM 264 C ILE A 17 -2.242 1.459 7.700 1.00 10.00 C ATOM 265 O ILE A 17 -2.662 0.304 7.636 1.00 50.00 O ATOM 266 CB ILE A 17 -1.572 1.981 5.355 1.00 50.00 C ATOM 267 CG1 ILE A 17 -0.516 2.651 4.473 1.00 50.00 C ATOM 268 CG2 ILE A 17 -2.897 2.722 5.260 1.00 50.00 C ATOM 269 CD1 ILE A 17 0.442 1.678 3.821 1.00 50.00 C ATOM 0 H ILE A 17 -0.068 0.105 6.612 1.00 10.00 H new ATOM 0 HA ILE A 17 -0.777 2.920 7.125 1.00 10.00 H new ATOM 0 HB ILE A 17 -1.723 0.962 4.999 1.00 50.00 H new ATOM 0 HG12 ILE A 17 -1.018 3.228 3.696 1.00 50.00 H new ATOM 0 HG13 ILE A 17 0.053 3.357 5.077 1.00 50.00 H new ATOM 0 HG21 ILE A 17 -3.222 2.754 4.220 1.00 50.00 H new ATOM 0 HG22 ILE A 17 -3.647 2.205 5.859 1.00 50.00 H new ATOM 0 HG23 ILE A 17 -2.773 3.739 5.632 1.00 50.00 H new ATOM 0 HD11 ILE A 17 1.160 2.227 3.212 1.00 50.00 H new ATOM 0 HD12 ILE A 17 0.972 1.118 4.591 1.00 50.00 H new ATOM 0 HD13 ILE A 17 -0.116 0.987 3.189 1.00 50.00 H new ATOM 281 N THR A 18 -2.748 2.368 8.527 1.00 10.00 N ATOM 282 CA THR A 18 -3.834 2.048 9.447 1.00 10.00 C ATOM 283 C THR A 18 -5.190 2.381 8.839 1.00 10.00 C ATOM 284 O THR A 18 -5.398 3.484 8.330 1.00 50.00 O ATOM 285 CB THR A 18 -3.683 2.799 10.783 1.00 50.00 C ATOM 286 OG1 THR A 18 -2.462 2.403 11.421 1.00 50.00 O ATOM 287 CG2 THR A 18 -4.855 2.490 11.702 1.00 50.00 C ATOM 0 H THR A 18 -2.423 3.333 8.579 1.00 10.00 H new ATOM 0 HA THR A 18 -3.779 0.976 9.635 1.00 10.00 H new ATOM 0 HB THR A 18 -3.664 3.870 10.582 1.00 50.00 H new ATOM 0 HG1 THR A 18 -2.366 2.883 12.270 1.00 50.00 H new ATOM 0 HG21 THR A 18 -4.732 3.029 12.642 1.00 50.00 H new ATOM 0 HG22 THR A 18 -5.784 2.801 11.224 1.00 50.00 H new ATOM 0 HG23 THR A 18 -4.890 1.419 11.900 1.00 50.00 H new ATOM 295 N LEU A 19 -6.108 1.424 8.893 1.00 10.00 N ATOM 296 CA LEU A 19 -7.445 1.613 8.338 1.00 50.00 C ATOM 297 C LEU A 19 -8.479 1.788 9.442 1.00 10.00 C ATOM 298 O LEU A 19 -8.299 1.301 10.558 1.00 50.00 O ATOM 299 CB LEU A 19 -7.817 0.427 7.440 1.00 50.00 C ATOM 300 CG LEU A 19 -6.811 0.106 6.329 1.00 50.00 C ATOM 301 CD1 LEU A 19 -7.245 -1.141 5.573 1.00 50.00 C ATOM 302 CD2 LEU A 19 -6.695 1.296 5.387 1.00 50.00 C ATOM 0 H LEU A 19 -5.952 0.509 9.315 1.00 10.00 H new ATOM 0 HA LEU A 19 -7.438 2.523 7.738 1.00 50.00 H new ATOM 0 HB2 LEU A 19 -7.937 -0.458 8.066 1.00 50.00 H new ATOM 0 HB3 LEU A 19 -8.786 0.628 6.983 1.00 50.00 H new ATOM 0 HG LEU A 19 -5.833 -0.088 6.771 1.00 50.00 H new ATOM 0 HD11 LEU A 19 -6.523 -1.359 4.786 1.00 50.00 H new ATOM 0 HD12 LEU A 19 -7.297 -1.984 6.262 1.00 50.00 H new ATOM 0 HD13 LEU A 19 -8.226 -0.974 5.129 1.00 50.00 H new ATOM 0 HD21 LEU A 19 -5.979 1.067 4.597 1.00 50.00 H new ATOM 0 HD22 LEU A 19 -7.669 1.506 4.944 1.00 50.00 H new ATOM 0 HD23 LEU A 19 -6.354 2.169 5.944 1.00 50.00 H new ATOM 314 N SER A 20 -9.563 2.488 9.125 1.00 10.00 N ATOM 315 CA SER A 20 -10.672 2.650 10.059 1.00 10.00 C ATOM 316 C SER A 20 -11.555 1.408 10.085 1.00 50.00 C ATOM 317 O SER A 20 -12.354 1.224 11.003 1.00 50.00 O ATOM 318 CB SER A 20 -11.489 3.872 9.691 1.00 50.00 C ATOM 319 OG SER A 20 -12.195 3.694 8.494 1.00 50.00 O ATOM 0 H SER A 20 -9.698 2.953 8.227 1.00 10.00 H new ATOM 0 HA SER A 20 -10.259 2.788 11.058 1.00 10.00 H new ATOM 0 HB2 SER A 20 -12.190 4.094 10.495 1.00 50.00 H new ATOM 0 HB3 SER A 20 -10.829 4.734 9.597 1.00 50.00 H new ATOM 0 HG SER A 20 -13.021 4.220 8.520 1.00 50.00 H new ATOM 414 N THR A 27 -9.966 -10.426 5.570 1.00 50.00 N ATOM 415 CA THR A 27 -8.947 -11.469 5.579 1.00 50.00 C ATOM 416 C THR A 27 -7.646 -10.973 4.962 1.00 50.00 C ATOM 417 O THR A 27 -7.619 -9.940 4.293 1.00 50.00 O ATOM 418 CB THR A 27 -9.417 -12.723 4.820 1.00 50.00 C ATOM 419 OG1 THR A 27 -9.625 -12.401 3.440 1.00 50.00 O ATOM 420 CG2 THR A 27 -10.713 -13.252 5.414 1.00 75.00 C ATOM 0 HA THR A 27 -8.774 -11.730 6.623 1.00 50.00 H new ATOM 0 HB THR A 27 -8.648 -13.491 4.909 1.00 50.00 H new ATOM 0 HG1 THR A 27 -9.886 -11.460 3.359 1.00 50.00 H new ATOM 0 HG21 THR A 27 -11.030 -14.138 4.865 1.00 75.00 H new ATOM 0 HG22 THR A 27 -10.554 -13.511 6.461 1.00 75.00 H new ATOM 0 HG23 THR A 27 -11.485 -12.486 5.343 1.00 75.00 H new ATOM 428 N SER A 28 -6.568 -11.716 5.191 1.00 10.00 N ATOM 429 CA SER A 28 -5.261 -11.354 4.656 1.00 10.00 C ATOM 430 C SER A 28 -5.141 -11.737 3.187 1.00 10.00 C ATOM 431 O SER A 28 -5.867 -12.606 2.701 1.00 50.00 O ATOM 432 CB SER A 28 -4.164 -12.018 5.467 1.00 50.00 C ATOM 433 OG SER A 28 -4.165 -13.411 5.311 1.00 50.00 O ATOM 0 H SER A 28 -6.574 -12.573 5.744 1.00 10.00 H new ATOM 0 HA SER A 28 -5.152 -10.272 4.729 1.00 10.00 H new ATOM 0 HB2 SER A 28 -3.196 -11.620 5.162 1.00 50.00 H new ATOM 0 HB3 SER A 28 -4.292 -11.771 6.521 1.00 50.00 H new ATOM 0 HG SER A 28 -3.443 -13.801 5.847 1.00 50.00 H new ATOM 439 N ASP A 29 -4.222 -11.084 2.483 1.00 10.00 N ATOM 440 CA ASP A 29 -3.992 -11.370 1.072 1.00 10.00 C ATOM 441 C ASP A 29 -2.698 -10.731 0.585 1.00 10.00 C ATOM 442 O ASP A 29 -2.197 -9.783 1.189 1.00 50.00 O ATOM 443 CB ASP A 29 -5.170 -10.881 0.226 1.00 50.00 C ATOM 444 CG ASP A 29 -5.318 -11.588 -1.114 1.00 50.00 C ATOM 445 OD1 ASP A 29 -4.493 -12.413 -1.421 1.00 50.00 O ATOM 446 OD2 ASP A 29 -6.333 -11.412 -1.745 1.00 50.00 O ATOM 0 H ASP A 29 -3.624 -10.352 2.867 1.00 10.00 H new ATOM 0 HA ASP A 29 -3.902 -12.451 0.962 1.00 10.00 H new ATOM 0 HB2 ASP A 29 -6.090 -11.012 0.796 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -5.055 -9.812 0.048 1.00 50.00 H new ATOM 451 N THR A 30 -2.161 -11.257 -0.510 1.00 10.00 N ATOM 452 CA THR A 30 -0.923 -10.737 -1.081 1.00 10.00 C ATOM 453 C THR A 30 -1.147 -10.212 -2.494 1.00 10.00 C ATOM 454 O THR A 30 -1.729 -10.896 -3.335 1.00 50.00 O ATOM 455 CB THR A 30 0.178 -11.813 -1.113 1.00 50.00 C ATOM 456 OG1 THR A 30 0.449 -12.263 0.220 1.00 50.00 O ATOM 457 CG2 THR A 30 1.454 -11.250 -1.723 1.00 50.00 C ATOM 0 H THR A 30 -2.563 -12.043 -1.020 1.00 10.00 H new ATOM 0 HA THR A 30 -0.600 -9.918 -0.439 1.00 10.00 H new ATOM 0 HB THR A 30 -0.168 -12.648 -1.722 1.00 50.00 H new ATOM 0 HG1 THR A 30 1.149 -12.949 0.198 1.00 50.00 H new ATOM 0 HG21 THR A 30 2.222 -12.023 -1.738 1.00 50.00 H new ATOM 0 HG22 THR A 30 1.254 -10.917 -2.741 1.00 50.00 H new ATOM 0 HG23 THR A 30 1.801 -10.406 -1.127 1.00 50.00 H new ATOM 465 N TYR A 31 -0.682 -8.994 -2.746 1.00 10.00 N ATOM 466 CA TYR A 31 -0.902 -8.342 -4.032 1.00 10.00 C ATOM 467 C TYR A 31 0.415 -7.905 -4.661 1.00 10.00 C ATOM 468 O TYR A 31 1.040 -6.945 -4.211 1.00 50.00 O ATOM 469 CB TYR A 31 -1.830 -7.136 -3.867 1.00 50.00 C ATOM 470 CG TYR A 31 -3.167 -7.471 -3.244 1.00 50.00 C ATOM 471 CD1 TYR A 31 -4.163 -8.090 -3.988 1.00 50.00 C ATOM 472 CD2 TYR A 31 -3.431 -7.170 -1.916 1.00 50.00 C ATOM 473 CE1 TYR A 31 -5.385 -8.398 -3.424 1.00 50.00 C ATOM 474 CE2 TYR A 31 -4.649 -7.477 -1.343 1.00 50.00 C ATOM 475 CZ TYR A 31 -5.626 -8.090 -2.100 1.00 50.00 C ATOM 476 OH TYR A 31 -6.841 -8.395 -1.535 1.00 50.00 O ATOM 0 H TYR A 31 -0.150 -8.438 -2.077 1.00 10.00 H new ATOM 0 HA TYR A 31 -1.374 -9.066 -4.697 1.00 10.00 H new ATOM 0 HB2 TYR A 31 -1.331 -6.388 -3.251 1.00 50.00 H new ATOM 0 HB3 TYR A 31 -1.999 -6.684 -4.844 1.00 50.00 H new ATOM 0 HD1 TYR A 31 -3.979 -8.334 -5.024 1.00 50.00 H new ATOM 0 HD2 TYR A 31 -2.671 -6.687 -1.320 1.00 50.00 H new ATOM 0 HE1 TYR A 31 -6.150 -8.878 -4.017 1.00 50.00 H new ATOM 0 HE2 TYR A 31 -4.836 -7.238 -0.306 1.00 50.00 H new ATOM 0 HH TYR A 31 -6.942 -9.368 -1.481 1.00 50.00 H new ATOM 486 N THR A 32 0.831 -8.615 -5.704 1.00 10.00 N ATOM 487 CA THR A 32 2.106 -8.344 -6.356 1.00 10.00 C ATOM 488 C THR A 32 1.902 -7.862 -7.787 1.00 10.00 C ATOM 489 O THR A 32 2.505 -6.877 -8.212 1.00 50.00 O ATOM 490 CB THR A 32 3.009 -9.591 -6.370 1.00 50.00 C ATOM 491 OG1 THR A 32 2.343 -10.660 -7.055 1.00 50.00 O ATOM 492 CG2 THR A 32 3.336 -10.028 -4.951 1.00 50.00 C ATOM 0 H THR A 32 0.302 -9.384 -6.116 1.00 10.00 H new ATOM 0 HA THR A 32 2.594 -7.559 -5.778 1.00 10.00 H new ATOM 0 HB THR A 32 3.937 -9.343 -6.886 1.00 50.00 H new ATOM 0 HG1 THR A 32 2.920 -11.452 -7.064 1.00 50.00 H new ATOM 0 HG21 THR A 32 3.975 -10.911 -4.980 1.00 50.00 H new ATOM 0 HG22 THR A 32 3.855 -9.222 -4.432 1.00 50.00 H new ATOM 0 HG23 THR A 32 2.413 -10.266 -4.422 1.00 50.00 H new ATOM 500 N LYS A 33 1.047 -8.561 -8.525 1.00 10.00 N ATOM 501 CA LYS A 33 0.738 -8.187 -9.899 1.00 50.00 C ATOM 502 C LYS A 33 -0.713 -7.743 -10.036 1.00 50.00 C ATOM 503 O LYS A 33 -1.603 -8.286 -9.383 1.00 50.00 O ATOM 504 CB LYS A 33 1.023 -9.351 -10.850 1.00 50.00 C ATOM 505 CG LYS A 33 2.496 -9.716 -10.971 1.00 50.00 C ATOM 506 CD LYS A 33 2.708 -10.828 -11.989 1.00 50.00 C ATOM 507 CE LYS A 33 4.179 -11.197 -12.109 1.00 75.00 C ATOM 508 NZ LYS A 33 4.400 -12.288 -13.095 1.00 75.00 N ATOM 0 H LYS A 33 0.555 -9.391 -8.194 1.00 10.00 H new ATOM 0 HA LYS A 33 1.379 -7.347 -10.167 1.00 50.00 H new ATOM 0 HB2 LYS A 33 0.471 -10.227 -10.509 1.00 50.00 H new ATOM 0 HB3 LYS A 33 0.641 -9.098 -11.839 1.00 50.00 H new ATOM 0 HG2 LYS A 33 3.068 -8.836 -11.266 1.00 50.00 H new ATOM 0 HG3 LYS A 33 2.876 -10.032 -9.999 1.00 50.00 H new ATOM 0 HD2 LYS A 33 2.134 -11.707 -11.695 1.00 50.00 H new ATOM 0 HD3 LYS A 33 2.330 -10.511 -12.961 1.00 50.00 H new ATOM 0 HE2 LYS A 33 4.750 -10.318 -12.407 1.00 75.00 H new ATOM 0 HE3 LYS A 33 4.556 -11.507 -11.134 1.00 75.00 H new ATOM 0 HZ1 LYS A 33 5.415 -12.509 -13.146 1.00 75.00 H new ATOM 0 HZ2 LYS A 33 3.876 -13.136 -12.798 1.00 75.00 H new ATOM 0 HZ3 LYS A 33 4.064 -11.983 -14.031 1.00 75.00 H new ATOM 522 N VAL A 34 -0.945 -6.751 -10.891 1.00 50.00 N ATOM 523 CA VAL A 34 -2.279 -6.189 -11.066 1.00 50.00 C ATOM 524 C VAL A 34 -3.248 -7.231 -11.610 1.00 50.00 C ATOM 525 O VAL A 34 -2.967 -7.892 -12.609 1.00 50.00 O ATOM 526 CB VAL A 34 -2.260 -4.975 -12.016 1.00 50.00 C ATOM 527 CG1 VAL A 34 -3.676 -4.496 -12.297 1.00 50.00 C ATOM 528 CG2 VAL A 34 -1.425 -3.850 -11.424 1.00 50.00 C ATOM 0 H VAL A 34 -0.226 -6.320 -11.473 1.00 50.00 H new ATOM 0 HA VAL A 34 -2.615 -5.864 -10.081 1.00 50.00 H new ATOM 0 HB VAL A 34 -1.807 -5.282 -12.959 1.00 50.00 H new ATOM 0 HG11 VAL A 34 -3.643 -3.639 -12.969 1.00 50.00 H new ATOM 0 HG12 VAL A 34 -4.247 -5.300 -12.762 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -4.154 -4.206 -11.362 1.00 50.00 H new ATOM 0 HG21 VAL A 34 -1.422 -3.001 -12.107 1.00 50.00 H new ATOM 0 HG22 VAL A 34 -1.851 -3.545 -10.468 1.00 50.00 H new ATOM 0 HG23 VAL A 34 -0.403 -4.197 -11.272 1.00 50.00 H new ATOM 538 N ASP A 35 -4.390 -7.372 -10.946 1.00 50.00 N ATOM 539 CA ASP A 35 -5.416 -8.314 -11.378 1.00 50.00 C ATOM 540 C ASP A 35 -6.810 -7.807 -11.030 1.00 50.00 C ATOM 541 O ASP A 35 -7.004 -7.145 -10.010 1.00 50.00 O ATOM 542 CB ASP A 35 -5.185 -9.688 -10.746 1.00 50.00 C ATOM 543 CG ASP A 35 -5.966 -10.821 -11.399 1.00 50.00 C ATOM 544 OD1 ASP A 35 -7.165 -10.845 -11.258 1.00 50.00 O ATOM 545 OD2 ASP A 35 -5.383 -11.558 -12.156 1.00 50.00 O ATOM 0 H ASP A 35 -4.629 -6.845 -10.106 1.00 50.00 H new ATOM 0 HA ASP A 35 -5.346 -8.407 -12.462 1.00 50.00 H new ATOM 0 HB2 ASP A 35 -4.121 -9.922 -10.793 1.00 50.00 H new ATOM 0 HB3 ASP A 35 -5.454 -9.639 -9.691 1.00 50.00 H new ATOM 550 N ASP A 36 -7.778 -8.121 -11.885 1.00 50.00 N ATOM 551 CA ASP A 36 -9.138 -7.622 -11.718 1.00 50.00 C ATOM 552 C ASP A 36 -9.770 -8.163 -10.441 1.00 50.00 C ATOM 553 O ASP A 36 -10.655 -7.534 -9.861 1.00 50.00 O ATOM 554 CB ASP A 36 -9.999 -7.994 -12.928 1.00 50.00 C ATOM 555 CG ASP A 36 -9.696 -7.192 -14.185 1.00 50.00 C ATOM 556 OD1 ASP A 36 -9.006 -6.206 -14.085 1.00 50.00 O ATOM 557 OD2 ASP A 36 -10.022 -7.654 -15.253 1.00 50.00 O ATOM 0 H ASP A 36 -7.646 -8.719 -12.701 1.00 50.00 H new ATOM 0 HA ASP A 36 -9.087 -6.536 -11.641 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -9.861 -9.053 -13.145 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.049 -7.856 -12.668 1.00 50.00 H new ATOM 562 N SER A 37 -9.307 -9.330 -10.007 1.00 50.00 N ATOM 563 CA SER A 37 -9.806 -9.943 -8.781 1.00 50.00 C ATOM 564 C SER A 37 -9.372 -9.152 -7.554 1.00 50.00 C ATOM 565 O SER A 37 -9.907 -9.340 -6.461 1.00 50.00 O ATOM 566 CB SER A 37 -9.324 -11.377 -8.681 1.00 50.00 C ATOM 567 OG SER A 37 -7.929 -11.458 -8.574 1.00 50.00 O ATOM 0 H SER A 37 -8.587 -9.871 -10.486 1.00 50.00 H new ATOM 0 HA SER A 37 -10.895 -9.936 -8.817 1.00 50.00 H new ATOM 0 HB2 SER A 37 -9.782 -11.853 -7.814 1.00 50.00 H new ATOM 0 HB3 SER A 37 -9.653 -11.932 -9.560 1.00 50.00 H new ATOM 0 HG SER A 37 -7.522 -11.251 -9.441 1.00 50.00 H new ATOM 573 N GLN A 38 -8.400 -8.264 -7.742 1.00 50.00 N ATOM 574 CA GLN A 38 -7.877 -7.459 -6.645 1.00 50.00 C ATOM 575 C GLN A 38 -8.656 -6.159 -6.495 1.00 50.00 C ATOM 576 O GLN A 38 -9.276 -5.683 -7.447 1.00 50.00 O ATOM 577 CB GLN A 38 -6.395 -7.150 -6.867 1.00 50.00 C ATOM 578 CG GLN A 38 -5.531 -8.378 -7.107 1.00 50.00 C ATOM 579 CD GLN A 38 -4.140 -8.020 -7.592 1.00 50.00 C ATOM 580 OE1 GLN A 38 -3.902 -6.912 -8.081 1.00 75.00 O ATOM 581 NE2 GLN A 38 -3.209 -8.960 -7.464 1.00 50.00 N ATOM 0 H GLN A 38 -7.959 -8.084 -8.644 1.00 50.00 H new ATOM 0 HA GLN A 38 -7.990 -8.037 -5.728 1.00 50.00 H new ATOM 0 HB2 GLN A 38 -6.299 -6.480 -7.721 1.00 50.00 H new ATOM 0 HB3 GLN A 38 -6.013 -6.615 -5.998 1.00 50.00 H new ATOM 0 HG2 GLN A 38 -5.454 -8.951 -6.183 1.00 50.00 H new ATOM 0 HG3 GLN A 38 -6.015 -9.021 -7.842 1.00 50.00 H new ATOM 0 HE21 GLN A 38 -3.449 -9.863 -7.054 1.00 50.00 H new ATOM 0 HE22 GLN A 38 -2.255 -8.779 -7.776 1.00 50.00 H new ATOM 590 N PRO A 39 -8.621 -5.588 -5.295 1.00 50.00 N ATOM 591 CA PRO A 39 -9.267 -4.307 -5.037 1.00 50.00 C ATOM 592 C PRO A 39 -8.780 -3.240 -6.008 1.00 50.00 C ATOM 593 O PRO A 39 -7.616 -3.237 -6.410 1.00 50.00 O ATOM 594 CB PRO A 39 -8.890 -3.983 -3.587 1.00 50.00 C ATOM 595 CG PRO A 39 -8.594 -5.310 -2.976 1.00 50.00 C ATOM 596 CD PRO A 39 -7.979 -6.131 -4.078 1.00 50.00 C ATOM 0 HA PRO A 39 -10.347 -4.343 -5.178 1.00 50.00 H new ATOM 0 HB2 PRO A 39 -8.025 -3.322 -3.540 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -9.705 -3.479 -3.067 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -7.911 -5.210 -2.133 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -9.502 -5.779 -2.597 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -6.895 -6.018 -4.109 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -8.185 -7.194 -3.953 1.00 50.00 H new ATOM 604 N ALA A 40 -9.676 -2.332 -6.382 1.00 50.00 N ATOM 605 CA ALA A 40 -9.299 -1.156 -7.157 1.00 50.00 C ATOM 606 C ALA A 40 -8.202 -0.364 -6.458 1.00 50.00 C ATOM 607 O ALA A 40 -7.229 0.052 -7.086 1.00 50.00 O ATOM 608 CB ALA A 40 -10.514 -0.276 -7.408 1.00 50.00 C ATOM 0 H ALA A 40 -10.670 -2.389 -6.160 1.00 50.00 H new ATOM 0 HA ALA A 40 -8.907 -1.495 -8.116 1.00 50.00 H new ATOM 0 HB1 ALA A 40 -10.217 0.598 -7.988 1.00 50.00 H new ATOM 0 HB2 ALA A 40 -11.264 -0.841 -7.962 1.00 50.00 H new ATOM 0 HB3 ALA A 40 -10.933 0.046 -6.455 1.00 50.00 H new ATOM 614 N PHE A 41 -8.364 -0.161 -5.155 1.00 50.00 N ATOM 615 CA PHE A 41 -7.432 0.654 -4.387 1.00 50.00 C ATOM 616 C PHE A 41 -6.110 -0.072 -4.173 1.00 50.00 C ATOM 617 O PHE A 41 -5.148 0.507 -3.669 1.00 50.00 O ATOM 618 CB PHE A 41 -8.045 1.038 -3.039 1.00 50.00 C ATOM 619 CG PHE A 41 -8.511 -0.136 -2.227 1.00 50.00 C ATOM 620 CD1 PHE A 41 -7.609 -0.893 -1.495 1.00 75.00 C ATOM 621 CD2 PHE A 41 -9.852 -0.487 -2.196 1.00 75.00 C ATOM 622 CE1 PHE A 41 -8.036 -1.975 -0.749 1.00 75.00 C ATOM 623 CE2 PHE A 41 -10.282 -1.568 -1.449 1.00 75.00 C ATOM 624 CZ PHE A 41 -9.373 -2.312 -0.725 1.00 75.00 C ATOM 0 H PHE A 41 -9.133 -0.550 -4.609 1.00 50.00 H new ATOM 0 HA PHE A 41 -7.233 1.561 -4.958 1.00 50.00 H new ATOM 0 HB2 PHE A 41 -7.309 1.597 -2.462 1.00 50.00 H new ATOM 0 HB3 PHE A 41 -8.889 1.706 -3.212 1.00 50.00 H new ATOM 0 HD1 PHE A 41 -6.561 -0.634 -1.508 1.00 75.00 H new ATOM 0 HD2 PHE A 41 -10.568 0.090 -2.762 1.00 75.00 H new ATOM 0 HE1 PHE A 41 -7.322 -2.557 -0.185 1.00 75.00 H new ATOM 0 HE2 PHE A 41 -11.330 -1.830 -1.432 1.00 75.00 H new ATOM 0 HZ PHE A 41 -9.708 -3.156 -0.141 1.00 75.00 H new ATOM 634 N ILE A 42 -6.070 -1.342 -4.558 1.00 50.00 N ATOM 635 CA ILE A 42 -4.813 -2.070 -4.669 1.00 50.00 C ATOM 636 C ILE A 42 -4.208 -1.917 -6.058 1.00 10.00 C ATOM 637 O ILE A 42 -3.000 -1.725 -6.204 1.00 50.00 O ATOM 638 CB ILE A 42 -4.996 -3.567 -4.361 1.00 50.00 C ATOM 639 CG1 ILE A 42 -5.357 -3.770 -2.888 1.00 50.00 C ATOM 640 CG2 ILE A 42 -3.735 -4.341 -4.715 1.00 50.00 C ATOM 641 CD1 ILE A 42 -4.308 -3.260 -1.927 1.00 50.00 C ATOM 0 H ILE A 42 -6.896 -1.890 -4.799 1.00 50.00 H new ATOM 0 HA ILE A 42 -4.136 -1.638 -3.932 1.00 50.00 H new ATOM 0 HB ILE A 42 -5.815 -3.948 -4.971 1.00 50.00 H new ATOM 0 HG12 ILE A 42 -6.301 -3.265 -2.682 1.00 50.00 H new ATOM 0 HG13 ILE A 42 -5.517 -4.833 -2.706 1.00 50.00 H new ATOM 0 HG21 ILE A 42 -3.882 -5.398 -4.491 1.00 50.00 H new ATOM 0 HG22 ILE A 42 -3.521 -4.222 -5.777 1.00 50.00 H new ATOM 0 HG23 ILE A 42 -2.898 -3.959 -4.131 1.00 50.00 H new ATOM 0 HD11 ILE A 42 -4.635 -3.439 -0.903 1.00 50.00 H new ATOM 0 HD12 ILE A 42 -3.368 -3.782 -2.104 1.00 50.00 H new ATOM 0 HD13 ILE A 42 -4.164 -2.190 -2.080 1.00 50.00 H new ATOM 653 N ASN A 43 -5.055 -2.001 -7.079 1.00 10.00 N ATOM 654 CA ASN A 43 -4.593 -1.977 -8.461 1.00 10.00 C ATOM 655 C ASN A 43 -3.945 -0.642 -8.803 1.00 10.00 C ATOM 656 O ASN A 43 -2.877 -0.599 -9.415 1.00 50.00 O ATOM 657 CB ASN A 43 -5.724 -2.274 -9.429 1.00 50.00 C ATOM 658 CG ASN A 43 -6.138 -3.719 -9.453 1.00 50.00 C ATOM 659 OD1 ASN A 43 -5.379 -4.610 -9.049 1.00 50.00 O ATOM 660 ND2 ASN A 43 -7.301 -3.965 -9.998 1.00 50.00 N ATOM 0 H ASN A 43 -6.066 -2.086 -6.974 1.00 10.00 H new ATOM 0 HA ASN A 43 -3.842 -2.761 -8.562 1.00 10.00 H new ATOM 0 HB2 ASN A 43 -6.587 -1.663 -9.164 1.00 50.00 H new ATOM 0 HB3 ASN A 43 -5.419 -1.976 -10.432 1.00 50.00 H new ATOM 0 HD21 ASN A 43 -7.620 -4.928 -10.106 1.00 50.00 H new ATOM 0 HD22 ASN A 43 -7.889 -3.194 -10.315 1.00 50.00 H new ATOM 667 N ASP A 44 -4.594 0.444 -8.404 1.00 10.00 N ATOM 668 CA ASP A 44 -4.081 1.783 -8.668 1.00 10.00 C ATOM 669 C ASP A 44 -2.659 1.940 -8.145 1.00 10.00 C ATOM 670 O ASP A 44 -1.774 2.411 -8.857 1.00 50.00 O ATOM 671 CB ASP A 44 -4.992 2.840 -8.038 1.00 50.00 C ATOM 672 CG ASP A 44 -6.321 3.033 -8.756 1.00 50.00 C ATOM 673 OD1 ASP A 44 -6.459 2.540 -9.850 1.00 50.00 O ATOM 674 OD2 ASP A 44 -7.237 3.533 -8.146 1.00 50.00 O ATOM 0 H ASP A 44 -5.478 0.424 -7.896 1.00 10.00 H new ATOM 0 HA ASP A 44 -4.066 1.927 -9.748 1.00 10.00 H new ATOM 0 HB2 ASP A 44 -5.189 2.562 -7.003 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -4.463 3.793 -8.017 1.00 50.00 H new ATOM 679 N ILE A 45 -2.447 1.544 -6.893 1.00 10.00 N ATOM 680 CA ILE A 45 -1.145 1.692 -6.254 1.00 10.00 C ATOM 681 C ILE A 45 -0.100 0.803 -6.917 1.00 10.00 C ATOM 682 O ILE A 45 1.030 1.229 -7.153 1.00 50.00 O ATOM 683 CB ILE A 45 -1.213 1.355 -4.753 1.00 50.00 C ATOM 684 CG1 ILE A 45 -2.067 2.388 -4.013 1.00 50.00 C ATOM 685 CG2 ILE A 45 0.187 1.293 -4.159 1.00 50.00 C ATOM 686 CD1 ILE A 45 -2.389 2.003 -2.587 1.00 50.00 C ATOM 0 H ILE A 45 -3.161 1.118 -6.302 1.00 10.00 H new ATOM 0 HA ILE A 45 -0.855 2.736 -6.371 1.00 10.00 H new ATOM 0 HB ILE A 45 -1.679 0.377 -4.637 1.00 50.00 H new ATOM 0 HG12 ILE A 45 -1.544 3.345 -4.012 1.00 50.00 H new ATOM 0 HG13 ILE A 45 -2.999 2.534 -4.559 1.00 50.00 H new ATOM 0 HG21 ILE A 45 0.122 1.054 -3.098 1.00 50.00 H new ATOM 0 HG22 ILE A 45 0.765 0.523 -4.670 1.00 50.00 H new ATOM 0 HG23 ILE A 45 0.678 2.258 -4.284 1.00 50.00 H new ATOM 0 HD11 ILE A 45 -2.996 2.783 -2.128 1.00 50.00 H new ATOM 0 HD12 ILE A 45 -2.940 1.063 -2.580 1.00 50.00 H new ATOM 0 HD13 ILE A 45 -1.463 1.885 -2.024 1.00 50.00 H new ATOM 698 N LEU A 46 -0.486 -0.431 -7.217 1.00 10.00 N ATOM 699 CA LEU A 46 0.383 -1.350 -7.943 1.00 10.00 C ATOM 700 C LEU A 46 0.874 -0.732 -9.245 1.00 10.00 C ATOM 701 O LEU A 46 2.024 -0.924 -9.640 1.00 50.00 O ATOM 702 CB LEU A 46 -0.352 -2.667 -8.220 1.00 50.00 C ATOM 703 CG LEU A 46 -0.538 -3.581 -7.002 1.00 50.00 C ATOM 704 CD1 LEU A 46 -1.393 -4.784 -7.377 1.00 50.00 C ATOM 705 CD2 LEU A 46 0.823 -4.027 -6.489 1.00 50.00 C ATOM 0 H LEU A 46 -1.396 -0.819 -6.969 1.00 10.00 H new ATOM 0 HA LEU A 46 1.254 -1.555 -7.321 1.00 10.00 H new ATOM 0 HB2 LEU A 46 -1.334 -2.436 -8.634 1.00 50.00 H new ATOM 0 HB3 LEU A 46 0.196 -3.216 -8.986 1.00 50.00 H new ATOM 0 HG LEU A 46 -1.049 -3.033 -6.211 1.00 50.00 H new ATOM 0 HD11 LEU A 46 -1.519 -5.427 -6.506 1.00 50.00 H new ATOM 0 HD12 LEU A 46 -2.370 -4.443 -7.721 1.00 50.00 H new ATOM 0 HD13 LEU A 46 -0.903 -5.344 -8.173 1.00 50.00 H new ATOM 0 HD21 LEU A 46 0.691 -4.676 -5.624 1.00 50.00 H new ATOM 0 HD22 LEU A 46 1.347 -4.571 -7.274 1.00 50.00 H new ATOM 0 HD23 LEU A 46 1.407 -3.153 -6.201 1.00 50.00 H new ATOM 717 N LYS A 47 -0.006 0.011 -9.908 1.00 10.00 N ATOM 718 CA LYS A 47 0.317 0.612 -11.198 1.00 10.00 C ATOM 719 C LYS A 47 1.245 1.809 -11.029 1.00 10.00 C ATOM 720 O LYS A 47 1.920 2.220 -11.972 1.00 50.00 O ATOM 721 CB LYS A 47 -0.959 1.033 -11.928 1.00 50.00 C ATOM 722 CG LYS A 47 -1.813 -0.126 -12.420 1.00 50.00 C ATOM 723 CD LYS A 47 -3.110 0.367 -13.043 1.00 50.00 C ATOM 724 CE LYS A 47 -3.966 -0.791 -13.532 1.00 50.00 C ATOM 725 NZ LYS A 47 -5.228 -0.322 -14.166 1.00 50.00 N ATOM 0 H LYS A 47 -0.949 0.212 -9.574 1.00 10.00 H new ATOM 0 HA LYS A 47 0.834 -0.138 -11.796 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -1.558 1.652 -11.260 1.00 50.00 H new ATOM 0 HB3 LYS A 47 -0.687 1.655 -12.780 1.00 50.00 H new ATOM 0 HG2 LYS A 47 -1.253 -0.707 -13.153 1.00 50.00 H new ATOM 0 HG3 LYS A 47 -2.038 -0.793 -11.588 1.00 50.00 H new ATOM 0 HD2 LYS A 47 -3.668 0.950 -12.311 1.00 50.00 H new ATOM 0 HD3 LYS A 47 -2.885 1.033 -13.876 1.00 50.00 H new ATOM 0 HE2 LYS A 47 -3.398 -1.384 -14.249 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -4.203 -1.446 -12.694 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -5.782 -1.142 -14.485 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -5.782 0.222 -13.475 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -5.003 0.282 -14.982 1.00 50.00 H new ATOM 739 N VAL A 48 1.271 2.365 -9.823 1.00 10.00 N ATOM 740 CA VAL A 48 2.177 3.462 -9.505 1.00 10.00 C ATOM 741 C VAL A 48 3.631 3.015 -9.581 1.00 10.00 C ATOM 742 O VAL A 48 4.029 2.050 -8.927 1.00 50.00 O ATOM 743 CB VAL A 48 1.901 4.036 -8.103 1.00 50.00 C ATOM 744 CG1 VAL A 48 2.958 5.063 -7.729 1.00 50.00 C ATOM 745 CG2 VAL A 48 0.513 4.659 -8.046 1.00 50.00 C ATOM 0 H VAL A 48 0.674 2.074 -9.049 1.00 10.00 H new ATOM 0 HA VAL A 48 1.999 4.240 -10.247 1.00 10.00 H new ATOM 0 HB VAL A 48 1.944 3.219 -7.383 1.00 50.00 H new ATOM 0 HG11 VAL A 48 2.746 5.458 -6.735 1.00 50.00 H new ATOM 0 HG12 VAL A 48 3.940 4.591 -7.730 1.00 50.00 H new ATOM 0 HG13 VAL A 48 2.946 5.878 -8.453 1.00 50.00 H new ATOM 0 HG21 VAL A 48 0.335 5.060 -7.048 1.00 50.00 H new ATOM 0 HG22 VAL A 48 0.445 5.464 -8.778 1.00 50.00 H new ATOM 0 HG23 VAL A 48 -0.236 3.900 -8.271 1.00 50.00 H new ATOM 755 N GLU A 49 4.420 3.721 -10.385 1.00 10.00 N ATOM 756 CA GLU A 49 5.833 3.400 -10.542 1.00 10.00 C ATOM 757 C GLU A 49 6.571 3.483 -9.212 1.00 10.00 C ATOM 758 O GLU A 49 6.491 4.491 -8.510 1.00 50.00 O ATOM 759 CB GLU A 49 6.484 4.337 -11.564 1.00 50.00 C ATOM 760 CG GLU A 49 7.942 4.022 -11.868 1.00 50.00 C ATOM 761 CD GLU A 49 8.497 4.955 -12.906 1.00 50.00 C ATOM 762 OE1 GLU A 49 7.760 5.777 -13.395 1.00 50.00 O ATOM 763 OE2 GLU A 49 9.684 4.923 -13.131 1.00 50.00 O ATOM 0 H GLU A 49 4.104 4.518 -10.937 1.00 10.00 H new ATOM 0 HA GLU A 49 5.902 2.374 -10.905 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.915 4.294 -12.492 1.00 50.00 H new ATOM 0 HB3 GLU A 49 6.415 5.360 -11.195 1.00 50.00 H new ATOM 0 HG2 GLU A 49 8.531 4.099 -10.954 1.00 50.00 H new ATOM 0 HG3 GLU A 49 8.029 2.993 -12.217 1.00 50.00 H new ATOM 770 N GLY A 50 7.287 2.419 -8.870 1.00 10.00 N ATOM 771 CA GLY A 50 8.103 2.399 -7.662 1.00 10.00 C ATOM 772 C GLY A 50 7.578 1.382 -6.657 1.00 10.00 C ATOM 773 O GLY A 50 8.340 0.832 -5.861 1.00 50.00 O ATOM 0 H GLY A 50 7.319 1.557 -9.414 1.00 10.00 H new ATOM 0 HA2 GLY A 50 9.134 2.159 -7.921 1.00 10.00 H new ATOM 0 HA3 GLY A 50 8.111 3.390 -7.209 1.00 10.00 H new ATOM 777 N VAL A 51 6.273 1.136 -6.699 1.00 10.00 N ATOM 778 CA VAL A 51 5.642 0.194 -5.784 1.00 10.00 C ATOM 779 C VAL A 51 6.061 -1.237 -6.091 1.00 10.00 C ATOM 780 O VAL A 51 5.971 -1.689 -7.232 1.00 50.00 O ATOM 781 CB VAL A 51 4.106 0.294 -5.841 1.00 50.00 C ATOM 782 CG1 VAL A 51 3.471 -0.779 -4.970 1.00 50.00 C ATOM 783 CG2 VAL A 51 3.644 1.675 -5.405 1.00 50.00 C ATOM 0 H VAL A 51 5.631 1.577 -7.358 1.00 10.00 H new ATOM 0 HA VAL A 51 5.976 0.459 -4.781 1.00 10.00 H new ATOM 0 HB VAL A 51 3.789 0.135 -6.872 1.00 50.00 H new ATOM 0 HG11 VAL A 51 2.386 -0.694 -5.022 1.00 50.00 H new ATOM 0 HG12 VAL A 51 3.775 -1.763 -5.325 1.00 50.00 H new ATOM 0 HG13 VAL A 51 3.796 -0.649 -3.938 1.00 50.00 H new ATOM 0 HG21 VAL A 51 2.556 1.726 -5.452 1.00 50.00 H new ATOM 0 HG22 VAL A 51 3.972 1.863 -4.383 1.00 50.00 H new ATOM 0 HG23 VAL A 51 4.072 2.428 -6.067 1.00 50.00 H new ATOM 793 N LYS A 52 6.518 -1.947 -5.065 1.00 10.00 N ATOM 794 CA LYS A 52 7.067 -3.286 -5.244 1.00 10.00 C ATOM 795 C LYS A 52 6.007 -4.353 -5.005 1.00 10.00 C ATOM 796 O LYS A 52 5.737 -5.179 -5.876 1.00 50.00 O ATOM 797 CB LYS A 52 8.256 -3.507 -4.308 1.00 50.00 C ATOM 798 CG LYS A 52 8.913 -4.875 -4.437 1.00 50.00 C ATOM 799 CD LYS A 52 10.110 -5.004 -3.508 1.00 50.00 C ATOM 800 CE LYS A 52 10.787 -6.358 -3.661 1.00 50.00 C ATOM 801 NZ LYS A 52 12.005 -6.470 -2.813 1.00 50.00 N ATOM 0 H LYS A 52 6.519 -1.617 -4.100 1.00 10.00 H new ATOM 0 HA LYS A 52 7.408 -3.371 -6.276 1.00 10.00 H new ATOM 0 HB2 LYS A 52 9.004 -2.738 -4.503 1.00 50.00 H new ATOM 0 HB3 LYS A 52 7.922 -3.373 -3.279 1.00 50.00 H new ATOM 0 HG2 LYS A 52 8.186 -5.653 -4.206 1.00 50.00 H new ATOM 0 HG3 LYS A 52 9.231 -5.032 -5.468 1.00 50.00 H new ATOM 0 HD2 LYS A 52 10.826 -4.211 -3.723 1.00 50.00 H new ATOM 0 HD3 LYS A 52 9.787 -4.871 -2.475 1.00 50.00 H new ATOM 0 HE2 LYS A 52 10.085 -7.147 -3.393 1.00 50.00 H new ATOM 0 HE3 LYS A 52 11.057 -6.513 -4.706 1.00 50.00 H new ATOM 0 HZ1 LYS A 52 12.436 -7.407 -2.947 1.00 50.00 H new ATOM 0 HZ2 LYS A 52 12.687 -5.733 -3.085 1.00 50.00 H new ATOM 0 HZ3 LYS A 52 11.745 -6.348 -1.814 1.00 50.00 H new ATOM 815 N SER A 53 5.408 -4.330 -3.819 1.00 10.00 N ATOM 816 CA SER A 53 4.367 -5.288 -3.466 1.00 10.00 C ATOM 817 C SER A 53 3.499 -4.765 -2.331 1.00 10.00 C ATOM 818 O SER A 53 3.931 -3.926 -1.540 1.00 50.00 O ATOM 819 CB SER A 53 4.990 -6.617 -3.087 1.00 50.00 C ATOM 820 OG SER A 53 5.701 -6.541 -1.881 1.00 50.00 O ATOM 0 H SER A 53 5.626 -3.657 -3.085 1.00 10.00 H new ATOM 0 HA SER A 53 3.727 -5.431 -4.336 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.208 -7.372 -3.000 1.00 50.00 H new ATOM 0 HB3 SER A 53 5.660 -6.943 -3.883 1.00 50.00 H new ATOM 0 HG SER A 53 6.297 -5.763 -1.901 1.00 50.00 H new ATOM 826 N ILE A 54 2.270 -5.264 -2.255 1.00 10.00 N ATOM 827 CA ILE A 54 1.352 -4.880 -1.189 1.00 10.00 C ATOM 828 C ILE A 54 0.842 -6.102 -0.435 1.00 10.00 C ATOM 829 O ILE A 54 0.548 -7.137 -1.036 1.00 50.00 O ATOM 830 CB ILE A 54 0.151 -4.088 -1.736 1.00 50.00 C ATOM 831 CG1 ILE A 54 0.629 -2.831 -2.466 1.00 50.00 C ATOM 832 CG2 ILE A 54 -0.803 -3.723 -0.609 1.00 50.00 C ATOM 833 CD1 ILE A 54 -0.451 -2.144 -3.269 1.00 50.00 C ATOM 0 H ILE A 54 1.886 -5.936 -2.920 1.00 10.00 H new ATOM 0 HA ILE A 54 1.913 -4.243 -0.505 1.00 10.00 H new ATOM 0 HB ILE A 54 -0.384 -4.717 -2.448 1.00 50.00 H new ATOM 0 HG12 ILE A 54 1.028 -2.128 -1.735 1.00 50.00 H new ATOM 0 HG13 ILE A 54 1.449 -3.099 -3.132 1.00 50.00 H new ATOM 0 HG21 ILE A 54 -1.646 -3.163 -1.013 1.00 50.00 H new ATOM 0 HG22 ILE A 54 -1.167 -4.633 -0.131 1.00 50.00 H new ATOM 0 HG23 ILE A 54 -0.280 -3.111 0.126 1.00 50.00 H new ATOM 0 HD11 ILE A 54 -0.036 -1.262 -3.757 1.00 50.00 H new ATOM 0 HD12 ILE A 54 -0.835 -2.830 -4.024 1.00 50.00 H new ATOM 0 HD13 ILE A 54 -1.262 -1.844 -2.606 1.00 50.00 H new ATOM 845 N PHE A 55 0.740 -5.977 0.882 1.00 10.00 N ATOM 846 CA PHE A 55 0.180 -7.038 1.711 1.00 10.00 C ATOM 847 C PHE A 55 -0.946 -6.511 2.592 1.00 10.00 C ATOM 848 O PHE A 55 -0.796 -5.489 3.263 1.00 50.00 O ATOM 849 CB PHE A 55 1.270 -7.676 2.574 1.00 50.00 C ATOM 850 CG PHE A 55 0.769 -8.767 3.476 1.00 50.00 C ATOM 851 CD1 PHE A 55 0.373 -9.991 2.954 1.00 50.00 C ATOM 852 CD2 PHE A 55 0.690 -8.574 4.846 1.00 50.00 C ATOM 853 CE1 PHE A 55 -0.088 -10.996 3.783 1.00 50.00 C ATOM 854 CE2 PHE A 55 0.231 -9.578 5.677 1.00 50.00 C ATOM 855 CZ PHE A 55 -0.160 -10.789 5.144 1.00 50.00 C ATOM 0 H PHE A 55 1.038 -5.151 1.400 1.00 10.00 H new ATOM 0 HA PHE A 55 -0.234 -7.797 1.047 1.00 10.00 H new ATOM 0 HB2 PHE A 55 2.044 -8.083 1.923 1.00 50.00 H new ATOM 0 HB3 PHE A 55 1.739 -6.902 3.182 1.00 50.00 H new ATOM 0 HD1 PHE A 55 0.426 -10.160 1.889 1.00 50.00 H new ATOM 0 HD2 PHE A 55 0.991 -7.627 5.269 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -0.392 -11.944 3.364 1.00 50.00 H new ATOM 0 HE2 PHE A 55 0.178 -9.415 6.743 1.00 50.00 H new ATOM 0 HZ PHE A 55 -0.522 -11.574 5.792 1.00 50.00 H new ATOM 865 N HIS A 56 -2.072 -7.217 2.589 1.00 10.00 N ATOM 866 CA HIS A 56 -3.188 -6.881 3.466 1.00 10.00 C ATOM 867 C HIS A 56 -3.354 -7.920 4.567 1.00 10.00 C ATOM 868 O HIS A 56 -3.205 -9.120 4.330 1.00 50.00 O ATOM 869 CB HIS A 56 -4.487 -6.754 2.665 1.00 50.00 C ATOM 870 CG HIS A 56 -5.685 -6.442 3.507 1.00 50.00 C ATOM 871 ND1 HIS A 56 -6.501 -7.423 4.032 1.00 50.00 N ATOM 872 CD2 HIS A 56 -6.207 -5.261 3.914 1.00 50.00 C ATOM 873 CE1 HIS A 56 -7.472 -6.857 4.727 1.00 50.00 C ATOM 874 NE2 HIS A 56 -7.316 -5.547 4.670 1.00 50.00 N ATOM 0 H HIS A 56 -2.236 -8.025 1.989 1.00 10.00 H new ATOM 0 HA HIS A 56 -2.966 -5.920 3.931 1.00 10.00 H new ATOM 0 HB2 HIS A 56 -4.367 -5.971 1.916 1.00 50.00 H new ATOM 0 HB3 HIS A 56 -4.664 -7.685 2.127 1.00 50.00 H new ATOM 0 HD1 HIS A 56 -6.375 -8.427 3.904 1.00 50.00 H new ATOM 0 HD2 HIS A 56 -5.823 -4.278 3.686 1.00 50.00 H new ATOM 0 HE1 HIS A 56 -8.259 -7.377 5.252 1.00 50.00 H new ATOM 882 N VAL A 57 -3.667 -7.454 5.771 1.00 10.00 N ATOM 883 CA VAL A 57 -4.022 -8.346 6.870 1.00 10.00 C ATOM 884 C VAL A 57 -4.854 -7.623 7.920 1.00 10.00 C ATOM 885 O VAL A 57 -4.545 -6.493 8.301 1.00 50.00 O ATOM 886 CB VAL A 57 -2.770 -8.941 7.543 1.00 50.00 C ATOM 887 CG1 VAL A 57 -1.882 -7.834 8.088 1.00 50.00 C ATOM 888 CG2 VAL A 57 -3.168 -9.900 8.654 1.00 50.00 C ATOM 0 H VAL A 57 -3.682 -6.463 6.011 1.00 10.00 H new ATOM 0 HA VAL A 57 -4.611 -9.155 6.438 1.00 10.00 H new ATOM 0 HB VAL A 57 -2.207 -9.497 6.793 1.00 50.00 H new ATOM 0 HG11 VAL A 57 -1.003 -8.272 8.560 1.00 50.00 H new ATOM 0 HG12 VAL A 57 -1.569 -7.183 7.271 1.00 50.00 H new ATOM 0 HG13 VAL A 57 -2.437 -7.252 8.824 1.00 50.00 H new ATOM 0 HG21 VAL A 57 -2.272 -10.311 9.118 1.00 50.00 H new ATOM 0 HG22 VAL A 57 -3.753 -9.366 9.403 1.00 50.00 H new ATOM 0 HG23 VAL A 57 -3.765 -10.711 8.238 1.00 50.00 H new ATOM 898 N MET A 58 -5.913 -8.278 8.384 1.00 10.00 N ATOM 899 CA MET A 58 -6.762 -7.719 9.428 1.00 10.00 C ATOM 900 C MET A 58 -7.268 -6.334 9.046 1.00 10.00 C ATOM 901 O MET A 58 -8.160 -6.198 8.210 1.00 50.00 O ATOM 902 CB MET A 58 -6.002 -7.658 10.751 1.00 50.00 C ATOM 903 CG MET A 58 -5.859 -8.998 11.459 1.00 50.00 C ATOM 904 SD MET A 58 -4.901 -8.882 12.982 1.00 75.00 S ATOM 905 CE MET A 58 -4.907 -10.591 13.518 1.00 75.00 C ATOM 0 H MET A 58 -6.204 -9.198 8.053 1.00 10.00 H new ATOM 0 HA MET A 58 -7.627 -8.373 9.545 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.008 -7.251 10.566 1.00 50.00 H new ATOM 0 HB3 MET A 58 -6.512 -6.962 11.417 1.00 50.00 H new ATOM 0 HG2 MET A 58 -6.850 -9.391 11.687 1.00 50.00 H new ATOM 0 HG3 MET A 58 -5.380 -9.710 10.787 1.00 50.00 H new ATOM 0 HE1 MET A 58 -4.352 -10.682 14.451 1.00 75.00 H new ATOM 0 HE2 MET A 58 -5.934 -10.920 13.674 1.00 75.00 H new ATOM 0 HE3 MET A 58 -4.439 -11.213 12.755 1.00 75.00 H new ATOM 915 N ASP A 59 -6.691 -5.310 9.664 1.00 10.00 N ATOM 916 CA ASP A 59 -7.244 -3.962 9.591 1.00 10.00 C ATOM 917 C ASP A 59 -6.163 -2.939 9.267 1.00 10.00 C ATOM 918 O ASP A 59 -6.290 -1.760 9.600 1.00 50.00 O ATOM 919 CB ASP A 59 -7.938 -3.594 10.905 1.00 50.00 C ATOM 920 CG ASP A 59 -7.021 -3.585 12.120 1.00 50.00 C ATOM 921 OD1 ASP A 59 -5.861 -3.887 11.966 1.00 75.00 O ATOM 922 OD2 ASP A 59 -7.443 -3.128 13.154 1.00 50.00 O ATOM 0 H ASP A 59 -5.840 -5.387 10.221 1.00 10.00 H new ATOM 0 HA ASP A 59 -7.979 -3.948 8.786 1.00 10.00 H new ATOM 0 HB2 ASP A 59 -8.390 -2.608 10.799 1.00 50.00 H new ATOM 0 HB3 ASP A 59 -8.750 -4.299 11.083 1.00 50.00 H new ATOM 927 N PHE A 60 -5.098 -3.397 8.617 1.00 10.00 N ATOM 928 CA PHE A 60 -4.040 -2.506 8.156 1.00 10.00 C ATOM 929 C PHE A 60 -3.362 -3.056 6.909 1.00 10.00 C ATOM 930 O PHE A 60 -3.462 -4.246 6.608 1.00 50.00 O ATOM 931 CB PHE A 60 -3.007 -2.288 9.264 1.00 50.00 C ATOM 932 CG PHE A 60 -2.235 -3.525 9.624 1.00 50.00 C ATOM 933 CD1 PHE A 60 -2.714 -4.404 10.584 1.00 50.00 C ATOM 934 CD2 PHE A 60 -1.027 -3.811 9.006 1.00 50.00 C ATOM 935 CE1 PHE A 60 -2.004 -5.542 10.916 1.00 50.00 C ATOM 936 CE2 PHE A 60 -0.315 -4.949 9.336 1.00 50.00 C ATOM 937 CZ PHE A 60 -0.805 -5.814 10.292 1.00 50.00 C ATOM 0 H PHE A 60 -4.945 -4.381 8.398 1.00 10.00 H new ATOM 0 HA PHE A 60 -4.495 -1.549 7.901 1.00 10.00 H new ATOM 0 HB2 PHE A 60 -2.308 -1.513 8.949 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -3.515 -1.916 10.154 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -3.652 -4.197 11.077 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -0.638 -3.136 8.258 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -2.388 -6.219 11.665 1.00 50.00 H new ATOM 0 HE2 PHE A 60 0.624 -5.161 8.846 1.00 50.00 H new ATOM 0 HZ PHE A 60 -0.250 -6.703 10.552 1.00 50.00 H new ATOM 947 N ILE A 61 -2.673 -2.182 6.182 1.00 10.00 N ATOM 948 CA ILE A 61 -2.021 -2.565 4.935 1.00 10.00 C ATOM 949 C ILE A 61 -0.526 -2.276 4.984 1.00 10.00 C ATOM 950 O ILE A 61 -0.108 -1.196 5.401 1.00 50.00 O ATOM 951 CB ILE A 61 -2.636 -1.837 3.727 1.00 50.00 C ATOM 952 CG1 ILE A 61 -4.120 -2.191 3.590 1.00 50.00 C ATOM 953 CG2 ILE A 61 -1.883 -2.186 2.454 1.00 50.00 C ATOM 954 CD1 ILE A 61 -4.855 -1.355 2.567 1.00 50.00 C ATOM 0 H ILE A 61 -2.552 -1.202 6.436 1.00 10.00 H new ATOM 0 HA ILE A 61 -2.177 -3.637 4.817 1.00 10.00 H new ATOM 0 HB ILE A 61 -2.551 -0.763 3.890 1.00 50.00 H new ATOM 0 HG12 ILE A 61 -4.209 -3.243 3.318 1.00 50.00 H new ATOM 0 HG13 ILE A 61 -4.604 -2.070 4.559 1.00 50.00 H new ATOM 0 HG21 ILE A 61 -2.332 -1.662 1.610 1.00 50.00 H new ATOM 0 HG22 ILE A 61 -0.840 -1.886 2.554 1.00 50.00 H new ATOM 0 HG23 ILE A 61 -1.936 -3.261 2.283 1.00 50.00 H new ATOM 0 HD11 ILE A 61 -5.899 -1.664 2.527 1.00 50.00 H new ATOM 0 HD12 ILE A 61 -4.798 -0.303 2.848 1.00 50.00 H new ATOM 0 HD13 ILE A 61 -4.398 -1.494 1.587 1.00 50.00 H new ATOM 966 N SER A 62 0.274 -3.246 4.555 1.00 10.00 N ATOM 967 CA SER A 62 1.716 -3.061 4.452 1.00 10.00 C ATOM 968 C SER A 62 2.144 -2.863 3.005 1.00 10.00 C ATOM 969 O SER A 62 2.018 -3.769 2.180 1.00 50.00 O ATOM 970 CB SER A 62 2.440 -4.247 5.060 1.00 50.00 C ATOM 971 OG SER A 62 3.829 -4.142 4.921 1.00 50.00 O ATOM 0 H SER A 62 -0.053 -4.170 4.273 1.00 10.00 H new ATOM 0 HA SER A 62 1.983 -2.161 5.006 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.186 -4.323 6.117 1.00 50.00 H new ATOM 0 HB3 SER A 62 2.096 -5.165 4.583 1.00 50.00 H new ATOM 0 HG SER A 62 4.258 -4.924 5.327 1.00 50.00 H new ATOM 977 N VAL A 63 2.649 -1.673 2.698 1.00 10.00 N ATOM 978 CA VAL A 63 3.080 -1.348 1.344 1.00 10.00 C ATOM 979 C VAL A 63 4.584 -1.112 1.288 1.00 10.00 C ATOM 980 O VAL A 63 5.132 -0.338 2.073 1.00 50.00 O ATOM 981 CB VAL A 63 2.357 -0.102 0.803 1.00 50.00 C ATOM 982 CG1 VAL A 63 2.834 0.223 -0.602 1.00 50.00 C ATOM 983 CG2 VAL A 63 0.850 -0.314 0.817 1.00 50.00 C ATOM 0 H VAL A 63 2.770 -0.916 3.371 1.00 10.00 H new ATOM 0 HA VAL A 63 2.824 -2.204 0.720 1.00 10.00 H new ATOM 0 HB VAL A 63 2.594 0.742 1.451 1.00 50.00 H new ATOM 0 HG11 VAL A 63 2.312 1.107 -0.968 1.00 50.00 H new ATOM 0 HG12 VAL A 63 3.907 0.416 -0.587 1.00 50.00 H new ATOM 0 HG13 VAL A 63 2.626 -0.620 -1.261 1.00 50.00 H new ATOM 0 HG21 VAL A 63 0.354 0.577 0.431 1.00 50.00 H new ATOM 0 HG22 VAL A 63 0.597 -1.170 0.191 1.00 50.00 H new ATOM 0 HG23 VAL A 63 0.518 -0.501 1.838 1.00 50.00 H new ATOM 993 N ASP A 64 5.248 -1.786 0.354 1.00 10.00 N ATOM 994 CA ASP A 64 6.697 -1.681 0.219 1.00 10.00 C ATOM 995 C ASP A 64 7.093 -1.347 -1.212 1.00 10.00 C ATOM 996 O ASP A 64 6.442 -1.778 -2.165 1.00 50.00 O ATOM 997 CB ASP A 64 7.371 -2.983 0.660 1.00 50.00 C ATOM 998 CG ASP A 64 6.933 -4.215 -0.120 1.00 50.00 C ATOM 999 OD1 ASP A 64 7.250 -4.300 -1.282 1.00 50.00 O ATOM 1000 OD2 ASP A 64 6.426 -5.128 0.485 1.00 50.00 O ATOM 0 H ASP A 64 4.806 -2.411 -0.320 1.00 10.00 H new ATOM 0 HA ASP A 64 7.035 -0.870 0.865 1.00 10.00 H new ATOM 0 HB2 ASP A 64 8.451 -2.870 0.561 1.00 50.00 H new ATOM 0 HB3 ASP A 64 7.163 -3.145 1.718 1.00 50.00 H new ATOM 1005 N LYS A 65 8.166 -0.576 -1.360 1.00 10.00 N ATOM 1006 CA LYS A 65 8.595 -0.104 -2.669 1.00 10.00 C ATOM 1007 C LYS A 65 10.010 -0.569 -2.987 1.00 10.00 C ATOM 1008 O LYS A 65 10.709 -1.096 -2.122 1.00 50.00 O ATOM 1009 CB LYS A 65 8.517 1.422 -2.740 1.00 50.00 C ATOM 1010 CG LYS A 65 9.241 2.142 -1.609 1.00 50.00 C ATOM 1011 CD LYS A 65 10.748 2.113 -1.810 1.00 50.00 C ATOM 1012 CE LYS A 65 11.479 2.698 -0.611 1.00 50.00 C ATOM 1013 NZ LYS A 65 11.706 4.161 -0.757 1.00 50.00 N ATOM 0 H LYS A 65 8.754 -0.265 -0.587 1.00 10.00 H new ATOM 0 HA LYS A 65 7.921 -0.529 -3.413 1.00 10.00 H new ATOM 0 HB2 LYS A 65 8.936 1.751 -3.691 1.00 50.00 H new ATOM 0 HB3 LYS A 65 7.469 1.721 -2.733 1.00 50.00 H new ATOM 0 HG2 LYS A 65 8.899 3.176 -1.555 1.00 50.00 H new ATOM 0 HG3 LYS A 65 8.990 1.674 -0.657 1.00 50.00 H new ATOM 0 HD2 LYS A 65 11.075 1.086 -1.972 1.00 50.00 H new ATOM 0 HD3 LYS A 65 11.008 2.676 -2.707 1.00 50.00 H new ATOM 0 HE2 LYS A 65 10.901 2.509 0.294 1.00 50.00 H new ATOM 0 HE3 LYS A 65 12.437 2.193 -0.488 1.00 50.00 H new ATOM 0 HZ1 LYS A 65 12.251 4.511 0.057 1.00 50.00 H new ATOM 0 HZ2 LYS A 65 12.236 4.344 -1.633 1.00 50.00 H new ATOM 0 HZ3 LYS A 65 10.790 4.652 -0.797 1.00 50.00 H new ATOM 1027 N GLU A 66 10.427 -0.371 -4.234 1.00 10.00 N ATOM 1028 CA GLU A 66 11.734 -0.834 -4.686 1.00 10.00 C ATOM 1029 C GLU A 66 12.849 0.045 -4.138 1.00 10.00 C ATOM 1030 O GLU A 66 12.631 1.213 -3.815 1.00 50.00 O ATOM 1031 CB GLU A 66 11.791 -0.863 -6.216 1.00 50.00 C ATOM 1032 CG GLU A 66 10.860 -1.881 -6.860 1.00 50.00 C ATOM 1033 CD GLU A 66 11.014 -1.891 -8.354 1.00 50.00 C ATOM 1034 OE1 GLU A 66 11.770 -1.098 -8.861 1.00 50.00 O ATOM 1035 OE2 GLU A 66 10.463 -2.766 -8.982 1.00 50.00 O ATOM 0 H GLU A 66 9.879 0.107 -4.949 1.00 10.00 H new ATOM 0 HA GLU A 66 11.880 -1.845 -4.306 1.00 10.00 H new ATOM 0 HB2 GLU A 66 11.544 0.128 -6.596 1.00 50.00 H new ATOM 0 HB3 GLU A 66 12.814 -1.077 -6.526 1.00 50.00 H new ATOM 0 HG2 GLU A 66 11.073 -2.874 -6.463 1.00 50.00 H new ATOM 0 HG3 GLU A 66 9.827 -1.648 -6.600 1.00 50.00 H new ATOM 1042 N ASN A 67 14.047 -0.521 -4.036 1.00 10.00 N ATOM 1043 CA ASN A 67 15.170 0.170 -3.415 1.00 10.00 C ATOM 1044 C ASN A 67 15.445 1.502 -4.101 1.00 10.00 C ATOM 1045 O ASN A 67 15.745 2.499 -3.445 1.00 50.00 O ATOM 1046 CB ASN A 67 16.422 -0.688 -3.421 1.00 50.00 C ATOM 1047 CG ASN A 67 16.388 -1.812 -2.422 1.00 50.00 C ATOM 1048 OD1 ASN A 67 15.612 -1.792 -1.460 1.00 50.00 O ATOM 1049 ND2 ASN A 67 17.281 -2.752 -2.599 1.00 50.00 N ATOM 0 H ASN A 67 14.265 -1.458 -4.376 1.00 10.00 H new ATOM 0 HA ASN A 67 14.893 0.364 -2.379 1.00 10.00 H new ATOM 0 HB2 ASN A 67 16.562 -1.104 -4.419 1.00 50.00 H new ATOM 0 HB3 ASN A 67 17.286 -0.056 -3.215 1.00 50.00 H new ATOM 0 HD21 ASN A 67 17.360 -3.514 -1.926 1.00 50.00 H new ATOM 0 HD22 ASN A 67 17.898 -2.723 -3.410 1.00 50.00 H new ATOM 1056 N ASP A 68 15.339 1.512 -5.426 1.00 10.00 N ATOM 1057 CA ASP A 68 15.554 2.728 -6.202 1.00 10.00 C ATOM 1058 C ASP A 68 14.448 3.746 -5.952 1.00 10.00 C ATOM 1059 O ASP A 68 14.708 4.943 -5.839 1.00 50.00 O ATOM 1060 CB ASP A 68 15.640 2.402 -7.695 1.00 50.00 C ATOM 1061 CG ASP A 68 16.926 1.705 -8.115 1.00 50.00 C ATOM 1062 OD1 ASP A 68 17.848 1.681 -7.333 1.00 50.00 O ATOM 1063 OD2 ASP A 68 16.928 1.071 -9.142 1.00 50.00 O ATOM 0 H ASP A 68 15.105 0.691 -5.985 1.00 10.00 H new ATOM 0 HA ASP A 68 16.499 3.166 -5.879 1.00 10.00 H new ATOM 0 HB2 ASP A 68 14.794 1.770 -7.965 1.00 50.00 H new ATOM 0 HB3 ASP A 68 15.541 3.327 -8.262 1.00 50.00 H new ATOM 1068 N ALA A 69 13.214 3.261 -5.864 1.00 10.00 N ATOM 1069 CA ALA A 69 12.059 4.134 -5.699 1.00 10.00 C ATOM 1070 C ALA A 69 12.118 4.880 -4.371 1.00 10.00 C ATOM 1071 O ALA A 69 12.747 4.421 -3.418 1.00 50.00 O ATOM 1072 CB ALA A 69 10.770 3.333 -5.801 1.00 50.00 C ATOM 0 H ALA A 69 12.989 2.267 -5.904 1.00 10.00 H new ATOM 0 HA ALA A 69 12.078 4.872 -6.501 1.00 10.00 H new ATOM 0 HB1 ALA A 69 9.917 3.999 -5.676 1.00 50.00 H new ATOM 0 HB2 ALA A 69 10.716 2.854 -6.779 1.00 50.00 H new ATOM 0 HB3 ALA A 69 10.753 2.571 -5.022 1.00 50.00 H new ATOM 1078 N ASN A 70 11.461 6.034 -4.316 1.00 10.00 N ATOM 1079 CA ASN A 70 11.373 6.808 -3.085 1.00 10.00 C ATOM 1080 C ASN A 70 9.925 6.994 -2.652 1.00 10.00 C ATOM 1081 O ASN A 70 9.020 7.042 -3.485 1.00 50.00 O ATOM 1082 CB ASN A 70 12.056 8.155 -3.226 1.00 50.00 C ATOM 1083 CG ASN A 70 13.532 8.061 -3.499 1.00 50.00 C ATOM 1084 OD1 ASN A 70 14.317 7.638 -2.642 1.00 50.00 O ATOM 1085 ND2 ASN A 70 13.924 8.530 -4.657 1.00 50.00 N ATOM 0 H ASN A 70 10.981 6.454 -5.112 1.00 10.00 H new ATOM 0 HA ASN A 70 11.893 6.242 -2.312 1.00 10.00 H new ATOM 0 HB2 ASN A 70 11.581 8.710 -4.035 1.00 50.00 H new ATOM 0 HB3 ASN A 70 11.901 8.728 -2.312 1.00 50.00 H new ATOM 0 HD21 ASN A 70 14.918 8.558 -4.886 1.00 50.00 H new ATOM 0 HD22 ASN A 70 13.236 8.867 -5.330 1.00 50.00 H new ATOM 1092 N TRP A 71 9.712 7.100 -1.344 1.00 10.00 N ATOM 1093 CA TRP A 71 8.380 7.339 -0.802 1.00 10.00 C ATOM 1094 C TRP A 71 7.902 8.749 -1.119 1.00 10.00 C ATOM 1095 O TRP A 71 6.704 9.032 -1.079 1.00 50.00 O ATOM 1096 CB TRP A 71 8.371 7.108 0.709 1.00 50.00 C ATOM 1097 CG TRP A 71 8.403 5.660 1.095 1.00 50.00 C ATOM 1098 CD1 TRP A 71 9.377 5.027 1.807 1.00 50.00 C ATOM 1099 CD2 TRP A 71 7.417 4.666 0.789 1.00 50.00 C ATOM 1100 NE1 TRP A 71 9.061 3.701 1.965 1.00 50.00 N ATOM 1101 CE2 TRP A 71 7.859 3.454 1.348 1.00 50.00 C ATOM 1102 CE3 TRP A 71 6.200 4.686 0.097 1.00 50.00 C ATOM 1103 CZ2 TRP A 71 7.136 2.276 1.238 1.00 50.00 C ATOM 1104 CZ3 TRP A 71 5.475 3.505 -0.013 1.00 50.00 C ATOM 1105 CH2 TRP A 71 5.930 2.334 0.542 1.00 50.00 C ATOM 0 H TRP A 71 10.446 7.024 -0.640 1.00 10.00 H new ATOM 0 HA TRP A 71 7.695 6.634 -1.273 1.00 10.00 H new ATOM 0 HB2 TRP A 71 9.231 7.612 1.150 1.00 50.00 H new ATOM 0 HB3 TRP A 71 7.479 7.569 1.133 1.00 50.00 H new ATOM 0 HD1 TRP A 71 10.269 5.500 2.191 1.00 50.00 H new ATOM 0 HE1 TRP A 71 9.627 3.011 2.460 1.00 50.00 H new ATOM 0 HE3 TRP A 71 5.832 5.601 -0.343 1.00 50.00 H new ATOM 0 HZ2 TRP A 71 7.492 1.354 1.673 1.00 50.00 H new ATOM 0 HZ3 TRP A 71 4.535 3.508 -0.545 1.00 50.00 H new ATOM 0 HH2 TRP A 71 5.339 1.436 0.436 1.00 50.00 H new ATOM 1116 N GLU A 72 8.843 9.631 -1.435 1.00 10.00 N ATOM 1117 CA GLU A 72 8.517 11.007 -1.789 1.00 10.00 C ATOM 1118 C GLU A 72 7.528 11.058 -2.947 1.00 10.00 C ATOM 1119 O GLU A 72 6.621 11.889 -2.966 1.00 50.00 O ATOM 1120 CB GLU A 72 9.786 11.785 -2.146 1.00 50.00 C ATOM 1121 CG GLU A 72 10.695 12.082 -0.961 1.00 50.00 C ATOM 1122 CD GLU A 72 11.963 12.759 -1.402 1.00 50.00 C ATOM 1123 OE1 GLU A 72 12.145 12.922 -2.585 1.00 50.00 O ATOM 1124 OE2 GLU A 72 12.696 13.212 -0.555 1.00 75.00 O ATOM 0 H GLU A 72 9.840 9.417 -1.453 1.00 10.00 H new ATOM 0 HA GLU A 72 8.050 11.472 -0.921 1.00 10.00 H new ATOM 0 HB2 GLU A 72 10.349 11.218 -2.887 1.00 50.00 H new ATOM 0 HB3 GLU A 72 9.501 12.727 -2.615 1.00 50.00 H new ATOM 0 HG2 GLU A 72 10.170 12.717 -0.247 1.00 50.00 H new ATOM 0 HG3 GLU A 72 10.937 11.154 -0.444 1.00 50.00 H new ATOM 1131 N THR A 73 7.710 10.164 -3.913 1.00 10.00 N ATOM 1132 CA THR A 73 6.773 10.032 -5.022 1.00 10.00 C ATOM 1133 C THR A 73 5.626 9.095 -4.664 1.00 10.00 C ATOM 1134 O THR A 73 4.457 9.432 -4.847 1.00 50.00 O ATOM 1135 CB THR A 73 7.470 9.513 -6.293 1.00 50.00 C ATOM 1136 OG1 THR A 73 8.484 10.441 -6.699 1.00 50.00 O ATOM 1137 CG2 THR A 73 6.463 9.342 -7.421 1.00 50.00 C ATOM 0 H THR A 73 8.499 9.519 -3.950 1.00 10.00 H new ATOM 0 HA THR A 73 6.377 11.028 -5.219 1.00 10.00 H new ATOM 0 HB THR A 73 7.921 8.546 -6.072 1.00 50.00 H new ATOM 0 HG1 THR A 73 8.928 10.108 -7.507 1.00 50.00 H new ATOM 0 HG21 THR A 73 6.973 8.975 -8.311 1.00 50.00 H new ATOM 0 HG22 THR A 73 5.698 8.627 -7.120 1.00 50.00 H new ATOM 0 HG23 THR A 73 5.996 10.302 -7.641 1.00 50.00 H new ATOM 1145 N VAL A 74 5.970 7.917 -4.156 1.00 10.00 N ATOM 1146 CA VAL A 74 5.005 6.831 -4.022 1.00 10.00 C ATOM 1147 C VAL A 74 3.957 7.149 -2.964 1.00 10.00 C ATOM 1148 O VAL A 74 2.758 7.012 -3.205 1.00 50.00 O ATOM 1149 CB VAL A 74 5.698 5.502 -3.661 1.00 50.00 C ATOM 1150 CG1 VAL A 74 4.664 4.435 -3.336 1.00 50.00 C ATOM 1151 CG2 VAL A 74 6.597 5.043 -4.799 1.00 50.00 C ATOM 0 H VAL A 74 6.909 7.689 -3.830 1.00 10.00 H new ATOM 0 HA VAL A 74 4.516 6.726 -4.990 1.00 10.00 H new ATOM 0 HB VAL A 74 6.316 5.664 -2.778 1.00 50.00 H new ATOM 0 HG11 VAL A 74 5.170 3.503 -3.083 1.00 50.00 H new ATOM 0 HG12 VAL A 74 4.059 4.760 -2.490 1.00 50.00 H new ATOM 0 HG13 VAL A 74 4.021 4.276 -4.202 1.00 50.00 H new ATOM 0 HG21 VAL A 74 7.078 4.104 -4.527 1.00 50.00 H new ATOM 0 HG22 VAL A 74 5.999 4.897 -5.699 1.00 50.00 H new ATOM 0 HG23 VAL A 74 7.359 5.799 -4.988 1.00 50.00 H new ATOM 1161 N LEU A 75 4.418 7.576 -1.793 1.00 10.00 N ATOM 1162 CA LEU A 75 3.593 7.550 -0.591 1.00 10.00 C ATOM 1163 C LEU A 75 2.379 8.455 -0.737 1.00 50.00 C ATOM 1164 O LEU A 75 1.257 8.064 -0.411 1.00 50.00 O ATOM 1165 CB LEU A 75 4.424 7.961 0.630 1.00 50.00 C ATOM 1166 CG LEU A 75 3.693 7.874 1.976 1.00 50.00 C ATOM 1167 CD1 LEU A 75 3.289 6.434 2.257 1.00 50.00 C ATOM 1168 CD2 LEU A 75 4.594 8.408 3.078 1.00 50.00 C ATOM 0 H LEU A 75 5.359 7.944 -1.651 1.00 10.00 H new ATOM 0 HA LEU A 75 3.234 6.531 -0.448 1.00 10.00 H new ATOM 0 HB2 LEU A 75 5.311 7.330 0.675 1.00 50.00 H new ATOM 0 HB3 LEU A 75 4.769 8.985 0.487 1.00 50.00 H new ATOM 0 HG LEU A 75 2.788 8.480 1.940 1.00 50.00 H new ATOM 0 HD11 LEU A 75 2.771 6.382 3.214 1.00 50.00 H new ATOM 0 HD12 LEU A 75 2.627 6.081 1.466 1.00 50.00 H new ATOM 0 HD13 LEU A 75 4.180 5.806 2.292 1.00 50.00 H new ATOM 0 HD21 LEU A 75 4.075 8.346 4.034 1.00 50.00 H new ATOM 0 HD22 LEU A 75 5.507 7.814 3.122 1.00 50.00 H new ATOM 0 HD23 LEU A 75 4.847 9.447 2.869 1.00 50.00 H new ATOM 1180 N PRO A 76 2.606 9.670 -1.226 1.00 50.00 N ATOM 1181 CA PRO A 76 1.522 10.612 -1.474 1.00 50.00 C ATOM 1182 C PRO A 76 0.389 9.955 -2.253 1.00 50.00 C ATOM 1183 O PRO A 76 -0.785 10.149 -1.941 1.00 50.00 O ATOM 1184 CB PRO A 76 2.185 11.745 -2.265 1.00 50.00 C ATOM 1185 CG PRO A 76 3.596 11.752 -1.790 1.00 50.00 C ATOM 1186 CD PRO A 76 3.957 10.306 -1.585 1.00 50.00 C ATOM 0 HA PRO A 76 1.059 10.974 -0.556 1.00 50.00 H new ATOM 0 HB2 PRO A 76 2.128 11.566 -3.339 1.00 50.00 H new ATOM 0 HB3 PRO A 76 1.697 12.701 -2.075 1.00 50.00 H new ATOM 0 HG2 PRO A 76 4.254 12.221 -2.521 1.00 50.00 H new ATOM 0 HG3 PRO A 76 3.695 12.317 -0.863 1.00 50.00 H new ATOM 0 HD2 PRO A 76 4.387 9.864 -2.484 1.00 50.00 H new ATOM 0 HD3 PRO A 76 4.689 10.180 -0.787 1.00 50.00 H new ATOM 1194 N LYS A 77 0.750 9.177 -3.269 1.00 50.00 N ATOM 1195 CA LYS A 77 -0.237 8.500 -4.102 1.00 50.00 C ATOM 1196 C LYS A 77 -0.938 7.388 -3.333 1.00 50.00 C ATOM 1197 O LYS A 77 -2.159 7.248 -3.402 1.00 50.00 O ATOM 1198 CB LYS A 77 0.423 7.933 -5.361 1.00 50.00 C ATOM 1199 CG LYS A 77 0.911 8.988 -6.345 1.00 50.00 C ATOM 1200 CD LYS A 77 1.618 8.352 -7.532 1.00 50.00 C ATOM 1201 CE LYS A 77 2.145 9.407 -8.494 1.00 50.00 C ATOM 1202 NZ LYS A 77 2.864 8.801 -9.646 1.00 50.00 N ATOM 0 H LYS A 77 1.719 9.000 -3.535 1.00 50.00 H new ATOM 0 HA LYS A 77 -0.986 9.236 -4.395 1.00 50.00 H new ATOM 0 HB2 LYS A 77 1.268 7.311 -5.065 1.00 50.00 H new ATOM 0 HB3 LYS A 77 -0.289 7.282 -5.868 1.00 50.00 H new ATOM 0 HG2 LYS A 77 0.065 9.579 -6.697 1.00 50.00 H new ATOM 0 HG3 LYS A 77 1.591 9.674 -5.839 1.00 50.00 H new ATOM 0 HD2 LYS A 77 2.444 7.735 -7.178 1.00 50.00 H new ATOM 0 HD3 LYS A 77 0.928 7.691 -8.057 1.00 50.00 H new ATOM 0 HE2 LYS A 77 1.314 10.010 -8.861 1.00 50.00 H new ATOM 0 HE3 LYS A 77 2.816 10.080 -7.961 1.00 50.00 H new ATOM 0 HZ1 LYS A 77 3.206 9.554 -10.276 1.00 50.00 H new ATOM 0 HZ2 LYS A 77 3.672 8.247 -9.298 1.00 50.00 H new ATOM 0 HZ3 LYS A 77 2.217 8.178 -10.170 1.00 50.00 H new ATOM 1216 N VAL A 78 -0.159 6.601 -2.599 1.00 50.00 N ATOM 1217 CA VAL A 78 -0.710 5.528 -1.780 1.00 50.00 C ATOM 1218 C VAL A 78 -1.780 6.053 -0.833 1.00 50.00 C ATOM 1219 O VAL A 78 -2.905 5.551 -0.813 1.00 50.00 O ATOM 1220 CB VAL A 78 0.389 4.824 -0.959 1.00 50.00 C ATOM 1221 CG1 VAL A 78 -0.232 3.868 0.050 1.00 50.00 C ATOM 1222 CG2 VAL A 78 1.346 4.081 -1.877 1.00 50.00 C ATOM 0 H VAL A 78 0.856 6.686 -2.555 1.00 50.00 H new ATOM 0 HA VAL A 78 -1.158 4.807 -2.464 1.00 50.00 H new ATOM 0 HB VAL A 78 0.953 5.582 -0.415 1.00 50.00 H new ATOM 0 HG11 VAL A 78 0.557 3.379 0.621 1.00 50.00 H new ATOM 0 HG12 VAL A 78 -0.879 4.424 0.728 1.00 50.00 H new ATOM 0 HG13 VAL A 78 -0.819 3.115 -0.476 1.00 50.00 H new ATOM 0 HG21 VAL A 78 2.115 3.590 -1.281 1.00 50.00 H new ATOM 0 HG22 VAL A 78 0.796 3.332 -2.447 1.00 50.00 H new ATOM 0 HG23 VAL A 78 1.814 4.787 -2.563 1.00 50.00 H new ATOM 1232 N GLU A 79 -1.426 7.065 -0.049 1.00 50.00 N ATOM 1233 CA GLU A 79 -2.364 7.674 0.885 1.00 50.00 C ATOM 1234 C GLU A 79 -3.623 8.149 0.172 1.00 50.00 C ATOM 1235 O GLU A 79 -4.738 7.916 0.637 1.00 50.00 O ATOM 1236 CB GLU A 79 -1.705 8.843 1.621 1.00 50.00 C ATOM 1237 CG GLU A 79 -2.589 9.509 2.664 1.00 50.00 C ATOM 1238 CD GLU A 79 -1.860 10.617 3.371 1.00 50.00 C ATOM 1239 OE1 GLU A 79 -0.707 10.827 3.077 1.00 50.00 O ATOM 1240 OE2 GLU A 79 -2.485 11.327 4.126 1.00 50.00 O ATOM 0 H GLU A 79 -0.495 7.481 -0.042 1.00 50.00 H new ATOM 0 HA GLU A 79 -2.650 6.914 1.611 1.00 50.00 H new ATOM 0 HB2 GLU A 79 -0.798 8.485 2.107 1.00 50.00 H new ATOM 0 HB3 GLU A 79 -1.401 9.591 0.889 1.00 50.00 H new ATOM 0 HG2 GLU A 79 -3.483 9.907 2.185 1.00 50.00 H new ATOM 0 HG3 GLU A 79 -2.920 8.767 3.391 1.00 50.00 H new ATOM 1247 N ALA A 80 -3.438 8.815 -0.963 1.00 50.00 N ATOM 1248 CA ALA A 80 -4.559 9.318 -1.748 1.00 50.00 C ATOM 1249 C ALA A 80 -5.529 8.199 -2.100 1.00 50.00 C ATOM 1250 O ALA A 80 -6.746 8.379 -2.044 1.00 50.00 O ATOM 1251 CB ALA A 80 -4.056 10.005 -3.010 1.00 50.00 C ATOM 0 H ALA A 80 -2.521 9.019 -1.360 1.00 50.00 H new ATOM 0 HA ALA A 80 -5.095 10.048 -1.142 1.00 50.00 H new ATOM 0 HB1 ALA A 80 -4.904 10.375 -3.586 1.00 50.00 H new ATOM 0 HB2 ALA A 80 -3.411 10.840 -2.737 1.00 50.00 H new ATOM 0 HB3 ALA A 80 -3.492 9.292 -3.612 1.00 50.00 H new ATOM 1257 N VAL A 81 -4.985 7.042 -2.463 1.00 50.00 N ATOM 1258 CA VAL A 81 -5.801 5.905 -2.869 1.00 50.00 C ATOM 1259 C VAL A 81 -6.604 5.357 -1.695 1.00 50.00 C ATOM 1260 O VAL A 81 -7.768 4.985 -1.847 1.00 50.00 O ATOM 1261 CB VAL A 81 -4.941 4.774 -3.461 1.00 50.00 C ATOM 1262 CG1 VAL A 81 -5.774 3.516 -3.654 1.00 50.00 C ATOM 1263 CG2 VAL A 81 -4.325 5.210 -4.782 1.00 50.00 C ATOM 0 H VAL A 81 -3.980 6.868 -2.484 1.00 50.00 H new ATOM 0 HA VAL A 81 -6.485 6.268 -3.636 1.00 50.00 H new ATOM 0 HB VAL A 81 -4.136 4.551 -2.760 1.00 50.00 H new ATOM 0 HG11 VAL A 81 -5.150 2.727 -4.073 1.00 50.00 H new ATOM 0 HG12 VAL A 81 -6.171 3.192 -2.692 1.00 50.00 H new ATOM 0 HG13 VAL A 81 -6.599 3.727 -4.335 1.00 50.00 H new ATOM 0 HG21 VAL A 81 -3.720 4.399 -5.187 1.00 50.00 H new ATOM 0 HG22 VAL A 81 -5.117 5.459 -5.488 1.00 50.00 H new ATOM 0 HG23 VAL A 81 -3.696 6.085 -4.619 1.00 50.00 H new ATOM 1273 N PHE A 82 -5.975 5.308 -0.526 1.00 50.00 N ATOM 1274 CA PHE A 82 -6.617 4.771 0.667 1.00 50.00 C ATOM 1275 C PHE A 82 -7.547 5.795 1.301 1.00 50.00 C ATOM 1276 O PHE A 82 -8.122 5.553 2.362 1.00 50.00 O ATOM 1277 CB PHE A 82 -5.565 4.316 1.680 1.00 50.00 C ATOM 1278 CG PHE A 82 -4.755 3.136 1.224 1.00 50.00 C ATOM 1279 CD1 PHE A 82 -5.293 2.202 0.350 1.00 50.00 C ATOM 1280 CD2 PHE A 82 -3.454 2.956 1.669 1.00 50.00 C ATOM 1281 CE1 PHE A 82 -4.547 1.116 -0.070 1.00 50.00 C ATOM 1282 CE2 PHE A 82 -2.707 1.873 1.250 1.00 50.00 C ATOM 1283 CZ PHE A 82 -3.256 0.951 0.379 1.00 50.00 C ATOM 0 H PHE A 82 -5.020 5.634 -0.379 1.00 50.00 H new ATOM 0 HA PHE A 82 -7.215 3.911 0.366 1.00 50.00 H new ATOM 0 HB2 PHE A 82 -4.892 5.148 1.889 1.00 50.00 H new ATOM 0 HB3 PHE A 82 -6.061 4.064 2.617 1.00 50.00 H new ATOM 0 HD1 PHE A 82 -6.305 2.325 -0.006 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.020 3.672 2.352 1.00 50.00 H new ATOM 0 HE1 PHE A 82 -4.977 0.397 -0.751 1.00 50.00 H new ATOM 0 HE2 PHE A 82 -1.694 1.746 1.603 1.00 50.00 H new ATOM 0 HZ PHE A 82 -2.673 0.103 0.051 1.00 50.00 H new ATOM 1293 N GLU A 83 -7.691 6.941 0.645 1.00 50.00 N ATOM 1294 CA GLU A 83 -8.605 7.979 1.108 1.00 50.00 C ATOM 1295 C GLU A 83 -9.944 7.897 0.387 1.00 50.00 C ATOM 1296 O GLU A 83 -10.519 8.915 0.008 1.00 50.00 O ATOM 1297 CB GLU A 83 -7.987 9.365 0.910 1.00 50.00 C ATOM 1298 CG GLU A 83 -6.978 9.762 1.979 1.00 50.00 C ATOM 1299 CD GLU A 83 -6.353 11.096 1.671 1.00 75.00 C ATOM 1300 OE1 GLU A 83 -6.719 11.689 0.685 1.00 75.00 O ATOM 1301 OE2 GLU A 83 -5.593 11.573 2.480 1.00 75.00 O ATOM 0 H GLU A 83 -7.186 7.175 -0.210 1.00 50.00 H new ATOM 0 HA GLU A 83 -8.780 7.817 2.172 1.00 50.00 H new ATOM 0 HB2 GLU A 83 -7.498 9.396 -0.064 1.00 50.00 H new ATOM 0 HB3 GLU A 83 -8.786 10.106 0.889 1.00 50.00 H new ATOM 0 HG2 GLU A 83 -7.471 9.804 2.950 1.00 50.00 H new ATOM 0 HG3 GLU A 83 -6.201 9.001 2.049 1.00 50.00 H new