USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 88 HIS : no HD1:sc= -4.88 K(o=-7.9,f=-1.9) USER MOD Set 1.2: A 89 ASN : amide:sc= -3.01 K(o=-7.9,f=-1.9) USER MOD Set 2.1: A 53 MET CE :methyl -174:sc= -0.69 (180deg=-0.793) USER MOD Set 2.2: A 54 GLN : amide:sc= -1.54 K(o=-2.2,f=-3.7!) USER MOD Set 3.1: A 29 MET CE :methyl -123:sc= 0 (180deg=0) USER MOD Set 3.2: A 79 MET CE :methyl -174:sc= -3.78 (180deg=-4.3!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.108 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0938 K(o=-0.094,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 15 MET CE :methyl -173:sc= -6.32! (180deg=-7.09!) USER MOD Single : A 20 MET CE :methyl 164:sc= -5.75! (180deg=-6.61!) USER MOD Single : A 22 ASN : amide:sc= -1.57! C(o=-1.6!,f=-1.7!) USER MOD Single : A 23 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.27) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -136:sc= 0.276 (180deg=-0.629) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 36 SER OG : rot 53:sc= 0.0718 USER MOD Single : A 37 GLN : amide:sc=-0.000633 K(o=-0.00063,f=-0.85) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.66) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0357 K(o=-0.036,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -167:sc= -4.34! (180deg=-4.65!) USER MOD Single : A 68 MET CE :methyl 168:sc= -0.443 (180deg=-0.871) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -145:sc= -11.5! (180deg=-16.9!) USER MOD Single : A 72 ASN : amide:sc= -0.0364 K(o=-0.036,f=-2.1) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00678 K(o=-0.0068,f=-0.67) USER MOD Single : A 84 MET CE :methyl 142:sc= -0.161 (180deg=-1.76) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 1.01 K(o=1,f=-0.18) USER MOD Single : A 97 MET CE :methyl 151:sc= -0.166 (180deg=-1.06) USER MOD Single : A 98 SER OG : rot 43:sc= 0.696 USER MOD Single : A 99 GLN : amide:sc= -0.0045 X(o=-0.0045,f=-0.28) USER MOD Single : A 102 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.1) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.858 -9.188 8.985 1.00 0.00 N ATOM 2 CA PRO A 1 5.449 -7.813 8.584 1.00 0.00 C ATOM 3 C PRO A 1 4.335 -7.189 9.424 1.00 0.00 C ATOM 4 O PRO A 1 3.162 -7.286 9.112 1.00 0.00 O ATOM 5 CB PRO A 1 5.075 -7.870 7.092 1.00 0.00 C ATOM 6 CG PRO A 1 4.688 -9.330 6.850 1.00 0.00 C ATOM 7 CD PRO A 1 5.204 -10.115 8.053 1.00 0.00 C ATOM 0 H2 PRO A 1 5.577 -9.383 9.946 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.872 -9.290 8.944 1.00 0.00 H new ATOM 0 HA PRO A 1 6.292 -7.146 8.766 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.248 -7.197 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.912 -7.571 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.607 -9.435 6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.130 -9.701 5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.380 -10.628 8.549 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.908 -10.881 7.728 1.00 0.00 H new ATOM 15 N TYR A 2 4.726 -6.530 10.512 1.00 0.00 N ATOM 16 CA TYR A 2 3.814 -5.956 11.509 1.00 0.00 C ATOM 17 C TYR A 2 4.453 -4.781 12.270 1.00 0.00 C ATOM 18 O TYR A 2 4.095 -4.483 13.405 1.00 0.00 O ATOM 19 CB TYR A 2 3.377 -7.072 12.471 1.00 0.00 C ATOM 20 CG TYR A 2 4.541 -7.777 13.170 1.00 0.00 C ATOM 21 CD1 TYR A 2 5.298 -8.728 12.466 1.00 0.00 C ATOM 22 CD2 TYR A 2 4.858 -7.459 14.500 1.00 0.00 C ATOM 23 CE1 TYR A 2 6.412 -9.349 13.081 1.00 0.00 C ATOM 24 CE2 TYR A 2 5.947 -8.103 15.135 1.00 0.00 C ATOM 25 CZ TYR A 2 6.721 -9.030 14.415 1.00 0.00 C ATOM 26 OH TYR A 2 7.802 -9.616 15.001 1.00 0.00 O ATOM 0 H TYR A 2 5.709 -6.374 10.734 1.00 0.00 H new ATOM 0 HA TYR A 2 2.943 -5.546 10.998 1.00 0.00 H new ATOM 0 HB2 TYR A 2 2.715 -6.649 13.226 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.798 -7.810 11.917 1.00 0.00 H new ATOM 0 HD1 TYR A 2 5.029 -8.986 11.452 1.00 0.00 H new ATOM 0 HD2 TYR A 2 4.274 -6.726 15.036 1.00 0.00 H new ATOM 0 HE1 TYR A 2 7.016 -10.058 12.533 1.00 0.00 H new ATOM 0 HE2 TYR A 2 6.182 -7.884 16.166 1.00 0.00 H new ATOM 0 HH TYR A 2 7.888 -9.296 15.923 1.00 0.00 H new ATOM 36 N GLY A 3 5.423 -4.117 11.641 1.00 0.00 N ATOM 37 CA GLY A 3 6.135 -2.998 12.247 1.00 0.00 C ATOM 38 C GLY A 3 7.443 -2.716 11.529 1.00 0.00 C ATOM 39 O GLY A 3 7.682 -1.610 11.050 1.00 0.00 O ATOM 0 H GLY A 3 5.735 -4.342 10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.506 -2.108 12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.334 -3.217 13.296 1.00 0.00 H new ATOM 43 N ARG A 4 8.294 -3.737 11.411 1.00 0.00 N ATOM 44 CA ARG A 4 9.558 -3.635 10.686 1.00 0.00 C ATOM 45 C ARG A 4 9.801 -4.898 9.877 1.00 0.00 C ATOM 46 O ARG A 4 9.509 -6.002 10.325 1.00 0.00 O ATOM 47 CB ARG A 4 10.695 -3.389 11.688 1.00 0.00 C ATOM 48 CG ARG A 4 11.809 -2.552 11.045 1.00 0.00 C ATOM 49 CD ARG A 4 11.645 -1.068 11.385 1.00 0.00 C ATOM 50 NE ARG A 4 12.506 -0.684 12.519 1.00 0.00 N ATOM 51 CZ ARG A 4 12.446 0.450 13.197 1.00 0.00 C ATOM 52 NH1 ARG A 4 11.551 1.361 12.918 1.00 0.00 N ATOM 53 NH2 ARG A 4 13.289 0.684 14.167 1.00 0.00 N ATOM 0 H ARG A 4 8.124 -4.658 11.816 1.00 0.00 H new ATOM 0 HA ARG A 4 9.518 -2.798 9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.307 -2.874 12.567 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.099 -4.342 12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.780 -2.904 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 4 11.791 -2.685 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.895 -0.463 10.514 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.603 -0.861 11.629 1.00 0.00 H new ATOM 0 HE ARG A 4 13.216 -1.357 12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.881 1.204 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.522 2.229 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.998 -0.010 14.405 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.238 1.560 14.687 1.00 0.00 H new ATOM 67 N GLY A 5 10.332 -4.729 8.675 1.00 0.00 N ATOM 68 CA GLY A 5 10.663 -5.832 7.792 1.00 0.00 C ATOM 69 C GLY A 5 10.944 -5.300 6.403 1.00 0.00 C ATOM 70 O GLY A 5 10.547 -4.189 6.063 1.00 0.00 O ATOM 0 H GLY A 5 10.546 -3.812 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.534 -6.367 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.840 -6.546 7.760 1.00 0.00 H new ATOM 74 N ARG A 6 11.651 -6.105 5.608 1.00 0.00 N ATOM 75 CA ARG A 6 11.995 -5.767 4.229 1.00 0.00 C ATOM 76 C ARG A 6 12.779 -6.897 3.607 1.00 0.00 C ATOM 77 O ARG A 6 13.568 -7.535 4.289 1.00 0.00 O ATOM 78 CB ARG A 6 12.906 -4.535 4.191 1.00 0.00 C ATOM 79 CG ARG A 6 12.420 -3.552 3.128 1.00 0.00 C ATOM 80 CD ARG A 6 13.154 -2.217 3.264 1.00 0.00 C ATOM 81 NE ARG A 6 14.390 -2.195 2.462 1.00 0.00 N ATOM 82 CZ ARG A 6 15.584 -2.648 2.808 1.00 0.00 C ATOM 83 NH1 ARG A 6 15.805 -3.176 3.980 1.00 0.00 N ATOM 84 NH2 ARG A 6 16.577 -2.615 1.964 1.00 0.00 N ATOM 0 H ARG A 6 12.002 -7.015 5.906 1.00 0.00 H new ATOM 0 HA ARG A 6 11.065 -5.580 3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 6 12.916 -4.051 5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 6 13.931 -4.838 3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.588 -3.968 2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.346 -3.396 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.498 -1.406 2.946 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.396 -2.039 4.312 1.00 0.00 H new ATOM 0 HE ARG A 6 14.317 -1.783 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 6 15.046 -3.248 4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 6 16.736 -3.517 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.437 -2.237 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 6 17.494 -2.967 2.241 1.00 0.00 H new ATOM 98 N THR A 7 12.580 -7.091 2.313 1.00 0.00 N ATOM 99 CA THR A 7 13.160 -8.199 1.565 1.00 0.00 C ATOM 100 C THR A 7 13.342 -7.778 0.111 1.00 0.00 C ATOM 101 O THR A 7 13.160 -6.601 -0.212 1.00 0.00 O ATOM 102 CB THR A 7 12.274 -9.454 1.738 1.00 0.00 C ATOM 103 OG1 THR A 7 10.900 -9.180 1.518 1.00 0.00 O ATOM 104 CG2 THR A 7 12.349 -10.025 3.154 1.00 0.00 C ATOM 0 H THR A 7 12.002 -6.474 1.742 1.00 0.00 H new ATOM 0 HA THR A 7 14.148 -8.459 1.946 1.00 0.00 H new ATOM 0 HB THR A 7 12.661 -10.159 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.379 -10.002 1.636 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.710 -10.905 3.226 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.378 -10.304 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.012 -9.273 3.868 1.00 0.00 H new ATOM 112 N GLU A 8 13.734 -8.724 -0.738 1.00 0.00 N ATOM 113 CA GLU A 8 13.865 -8.494 -2.175 1.00 0.00 C ATOM 114 C GLU A 8 12.510 -8.158 -2.807 1.00 0.00 C ATOM 115 O GLU A 8 11.478 -8.061 -2.137 1.00 0.00 O ATOM 116 CB GLU A 8 14.532 -9.719 -2.831 1.00 0.00 C ATOM 117 CG GLU A 8 15.989 -9.875 -2.360 1.00 0.00 C ATOM 118 CD GLU A 8 16.948 -9.012 -3.194 1.00 0.00 C ATOM 119 OE1 GLU A 8 16.527 -7.923 -3.636 1.00 0.00 O ATOM 120 OE2 GLU A 8 18.114 -9.452 -3.351 1.00 0.00 O ATOM 0 H GLU A 8 13.970 -9.673 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 8 14.504 -7.628 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.969 -10.619 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.506 -9.614 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.065 -9.593 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.285 -10.922 -2.431 1.00 0.00 H new ATOM 127 N SER A 9 12.515 -7.969 -4.128 1.00 0.00 N ATOM 128 CA SER A 9 11.312 -7.770 -4.923 1.00 0.00 C ATOM 129 C SER A 9 10.308 -8.933 -4.799 1.00 0.00 C ATOM 130 O SER A 9 10.435 -9.855 -3.994 1.00 0.00 O ATOM 131 CB SER A 9 11.675 -7.497 -6.403 1.00 0.00 C ATOM 132 OG SER A 9 13.070 -7.366 -6.632 1.00 0.00 O ATOM 0 H SER A 9 13.372 -7.950 -4.680 1.00 0.00 H new ATOM 0 HA SER A 9 10.809 -6.892 -4.518 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.289 -8.309 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.175 -6.585 -6.729 1.00 0.00 H new ATOM 0 HG SER A 9 13.231 -7.197 -7.584 1.00 0.00 H new ATOM 138 N GLY A 10 9.263 -8.904 -5.617 1.00 0.00 N ATOM 139 CA GLY A 10 8.316 -10.003 -5.626 1.00 0.00 C ATOM 140 C GLY A 10 7.176 -9.679 -6.551 1.00 0.00 C ATOM 141 O GLY A 10 7.260 -9.827 -7.765 1.00 0.00 O ATOM 0 H GLY A 10 9.055 -8.147 -6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.810 -10.919 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.941 -10.181 -4.618 1.00 0.00 H new ATOM 145 N CYS A 11 6.133 -9.110 -5.963 1.00 0.00 N ATOM 146 CA CYS A 11 5.003 -8.598 -6.724 1.00 0.00 C ATOM 147 C CYS A 11 5.007 -7.091 -6.791 1.00 0.00 C ATOM 148 O CYS A 11 4.254 -6.573 -7.594 1.00 0.00 O ATOM 149 CB CYS A 11 3.714 -9.060 -6.086 1.00 0.00 C ATOM 150 SG CYS A 11 3.056 -10.565 -6.824 1.00 0.00 S ATOM 0 H CYS A 11 6.046 -8.991 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 11 5.087 -8.983 -7.740 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.883 -9.228 -5.022 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.971 -8.267 -6.169 1.00 0.00 H new ATOM 155 N TYR A 12 5.834 -6.396 -6.023 1.00 0.00 N ATOM 156 CA TYR A 12 6.016 -4.945 -6.079 1.00 0.00 C ATOM 157 C TYR A 12 6.063 -4.405 -7.503 1.00 0.00 C ATOM 158 O TYR A 12 5.262 -3.549 -7.850 1.00 0.00 O ATOM 159 CB TYR A 12 7.322 -4.619 -5.380 1.00 0.00 C ATOM 160 CG TYR A 12 7.924 -3.268 -5.773 1.00 0.00 C ATOM 161 CD1 TYR A 12 7.183 -2.080 -5.628 1.00 0.00 C ATOM 162 CD2 TYR A 12 9.191 -3.257 -6.377 1.00 0.00 C ATOM 163 CE1 TYR A 12 7.748 -0.851 -6.042 1.00 0.00 C ATOM 164 CE2 TYR A 12 9.740 -2.033 -6.814 1.00 0.00 C ATOM 165 CZ TYR A 12 9.027 -0.840 -6.623 1.00 0.00 C ATOM 166 OH TYR A 12 9.580 0.331 -7.037 1.00 0.00 O ATOM 0 H TYR A 12 6.420 -6.840 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 12 5.161 -4.475 -5.594 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.157 -4.631 -4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.045 -5.404 -5.601 1.00 0.00 H new ATOM 0 HD1 TYR A 12 6.190 -2.107 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.741 -4.178 -6.506 1.00 0.00 H new ATOM 0 HE1 TYR A 12 7.201 0.071 -5.913 1.00 0.00 H new ATOM 0 HE2 TYR A 12 10.707 -2.015 -7.295 1.00 0.00 H new ATOM 0 HH TYR A 12 10.468 0.158 -7.414 1.00 0.00 H new ATOM 176 N GLN A 13 6.963 -4.939 -8.321 1.00 0.00 N ATOM 177 CA GLN A 13 7.072 -4.514 -9.714 1.00 0.00 C ATOM 178 C GLN A 13 5.766 -4.727 -10.508 1.00 0.00 C ATOM 179 O GLN A 13 5.452 -3.997 -11.427 1.00 0.00 O ATOM 180 CB GLN A 13 8.223 -5.299 -10.344 1.00 0.00 C ATOM 181 CG GLN A 13 8.369 -4.951 -11.834 1.00 0.00 C ATOM 182 CD GLN A 13 9.774 -4.577 -12.255 1.00 0.00 C ATOM 183 OE1 GLN A 13 10.608 -4.089 -11.513 1.00 0.00 O ATOM 184 NE2 GLN A 13 10.091 -4.834 -13.498 1.00 0.00 N ATOM 0 H GLN A 13 7.626 -5.664 -8.046 1.00 0.00 H new ATOM 0 HA GLN A 13 7.263 -3.441 -9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.152 -5.074 -9.821 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.045 -6.368 -10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.040 -5.804 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.700 -4.123 -12.068 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.399 -5.243 -14.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.030 -4.626 -13.838 1.00 0.00 H new ATOM 193 N GLN A 14 4.976 -5.725 -10.118 1.00 0.00 N ATOM 194 CA GLN A 14 3.674 -6.015 -10.713 1.00 0.00 C ATOM 195 C GLN A 14 2.561 -5.224 -10.032 1.00 0.00 C ATOM 196 O GLN A 14 1.452 -5.112 -10.527 1.00 0.00 O ATOM 197 CB GLN A 14 3.395 -7.526 -10.626 1.00 0.00 C ATOM 198 CG GLN A 14 4.174 -8.296 -11.708 1.00 0.00 C ATOM 199 CD GLN A 14 5.690 -8.153 -11.570 1.00 0.00 C ATOM 200 OE1 GLN A 14 6.422 -7.816 -12.480 1.00 0.00 O ATOM 201 NE2 GLN A 14 6.222 -8.383 -10.387 1.00 0.00 N ATOM 0 H GLN A 14 5.228 -6.366 -9.366 1.00 0.00 H new ATOM 0 HA GLN A 14 3.696 -5.711 -11.759 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.676 -7.895 -9.639 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.327 -7.709 -10.743 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.908 -9.352 -11.657 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.869 -7.938 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.629 -8.667 -9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.227 -8.277 -10.251 1.00 0.00 H new ATOM 210 N MET A 15 2.863 -4.691 -8.848 1.00 0.00 N ATOM 211 CA MET A 15 1.966 -3.914 -8.021 1.00 0.00 C ATOM 212 C MET A 15 1.841 -2.497 -8.503 1.00 0.00 C ATOM 213 O MET A 15 0.705 -2.052 -8.599 1.00 0.00 O ATOM 214 CB MET A 15 2.417 -3.798 -6.562 1.00 0.00 C ATOM 215 CG MET A 15 2.327 -5.121 -5.828 1.00 0.00 C ATOM 216 SD MET A 15 1.464 -4.885 -4.276 1.00 0.00 S ATOM 217 CE MET A 15 2.801 -3.972 -3.504 1.00 0.00 C ATOM 0 H MET A 15 3.786 -4.800 -8.428 1.00 0.00 H new ATOM 0 HA MET A 15 1.025 -4.460 -8.089 1.00 0.00 H new ATOM 0 HB2 MET A 15 3.444 -3.435 -6.529 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.801 -3.058 -6.051 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.802 -5.854 -6.441 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.326 -5.516 -5.644 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.566 -3.801 -2.453 1.00 0.00 H new ATOM 0 HE2 MET A 15 3.725 -4.545 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 15 2.926 -3.014 -4.008 1.00 0.00 H new ATOM 227 N GLU A 16 2.950 -1.821 -8.775 1.00 0.00 N ATOM 228 CA GLU A 16 2.935 -0.493 -9.405 1.00 0.00 C ATOM 229 C GLU A 16 2.094 -0.494 -10.689 1.00 0.00 C ATOM 230 O GLU A 16 1.386 0.465 -10.982 1.00 0.00 O ATOM 231 CB GLU A 16 4.366 -0.011 -9.696 1.00 0.00 C ATOM 232 CG GLU A 16 5.263 -1.137 -10.227 1.00 0.00 C ATOM 233 CD GLU A 16 6.503 -0.662 -10.994 1.00 0.00 C ATOM 234 OE1 GLU A 16 6.332 -0.076 -12.104 1.00 0.00 O ATOM 235 OE2 GLU A 16 7.610 -0.920 -10.494 1.00 0.00 O ATOM 0 H GLU A 16 3.886 -2.170 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 16 2.473 0.201 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.333 0.799 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.802 0.398 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.586 -1.752 -9.387 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.671 -1.777 -10.882 1.00 0.00 H new ATOM 242 N GLU A 17 2.093 -1.601 -11.428 1.00 0.00 N ATOM 243 CA GLU A 17 1.310 -1.737 -12.656 1.00 0.00 C ATOM 244 C GLU A 17 -0.176 -1.999 -12.385 1.00 0.00 C ATOM 245 O GLU A 17 -1.060 -1.697 -13.180 1.00 0.00 O ATOM 246 CB GLU A 17 1.879 -2.873 -13.511 1.00 0.00 C ATOM 247 CG GLU A 17 1.525 -2.669 -14.992 1.00 0.00 C ATOM 248 CD GLU A 17 2.661 -3.121 -15.927 1.00 0.00 C ATOM 249 OE1 GLU A 17 2.901 -4.348 -16.006 1.00 0.00 O ATOM 250 OE2 GLU A 17 3.240 -2.248 -16.613 1.00 0.00 O ATOM 0 H GLU A 17 2.636 -2.432 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 17 1.382 -0.788 -13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.962 -2.916 -13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.483 -3.828 -13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.619 -3.227 -15.228 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.307 -1.616 -15.170 1.00 0.00 H new ATOM 257 N ALA A 18 -0.475 -2.550 -11.197 1.00 0.00 N ATOM 258 CA ALA A 18 -1.828 -2.839 -10.754 1.00 0.00 C ATOM 259 C ALA A 18 -2.148 -2.127 -9.446 1.00 0.00 C ATOM 260 O ALA A 18 -2.869 -2.674 -8.622 1.00 0.00 O ATOM 261 CB ALA A 18 -1.999 -4.357 -10.625 1.00 0.00 C ATOM 0 H ALA A 18 0.237 -2.808 -10.513 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.535 -2.463 -11.494 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.012 -4.582 -10.293 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.822 -4.827 -11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.285 -4.743 -9.898 1.00 0.00 H new ATOM 267 N GLU A 19 -1.629 -0.912 -9.261 1.00 0.00 N ATOM 268 CA GLU A 19 -1.704 -0.036 -8.093 1.00 0.00 C ATOM 269 C GLU A 19 -3.017 -0.196 -7.311 1.00 0.00 C ATOM 270 O GLU A 19 -4.022 0.513 -7.449 1.00 0.00 O ATOM 271 CB GLU A 19 -1.470 1.435 -8.464 1.00 0.00 C ATOM 272 CG GLU A 19 -1.834 1.805 -9.902 1.00 0.00 C ATOM 273 CD GLU A 19 -2.334 3.264 -9.980 1.00 0.00 C ATOM 274 OE1 GLU A 19 -1.489 4.219 -9.959 1.00 0.00 O ATOM 275 OE2 GLU A 19 -3.560 3.453 -9.930 1.00 0.00 O ATOM 0 H GLU A 19 -1.089 -0.472 -10.006 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.896 -0.352 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.049 2.062 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.419 1.673 -8.298 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.964 1.678 -10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.606 1.130 -10.272 1.00 0.00 H new ATOM 282 N MET A 20 -3.060 -1.234 -6.491 1.00 0.00 N ATOM 283 CA MET A 20 -4.278 -1.676 -5.825 1.00 0.00 C ATOM 284 C MET A 20 -4.378 -1.026 -4.466 1.00 0.00 C ATOM 285 O MET A 20 -5.435 -0.626 -3.985 1.00 0.00 O ATOM 286 CB MET A 20 -4.288 -3.193 -5.713 1.00 0.00 C ATOM 287 CG MET A 20 -3.095 -3.745 -4.938 1.00 0.00 C ATOM 288 SD MET A 20 -2.267 -5.045 -5.820 1.00 0.00 S ATOM 289 CE MET A 20 -0.931 -4.050 -6.505 1.00 0.00 C ATOM 0 H MET A 20 -2.242 -1.800 -6.266 1.00 0.00 H new ATOM 0 HA MET A 20 -5.146 -1.377 -6.412 1.00 0.00 H new ATOM 0 HB2 MET A 20 -5.209 -3.509 -5.223 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.295 -3.625 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.390 -2.939 -4.736 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.433 -4.121 -3.973 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.135 -4.705 -6.860 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.310 -3.455 -7.336 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.539 -3.387 -5.734 1.00 0.00 H new ATOM 299 N LEU A 21 -3.228 -0.820 -3.846 1.00 0.00 N ATOM 300 CA LEU A 21 -3.126 -0.170 -2.568 1.00 0.00 C ATOM 301 C LEU A 21 -2.919 1.337 -2.721 1.00 0.00 C ATOM 302 O LEU A 21 -2.639 2.037 -1.754 1.00 0.00 O ATOM 303 CB LEU A 21 -2.058 -0.902 -1.793 1.00 0.00 C ATOM 304 CG LEU A 21 -2.531 -2.054 -0.893 1.00 0.00 C ATOM 305 CD1 LEU A 21 -3.341 -1.602 0.336 1.00 0.00 C ATOM 306 CD2 LEU A 21 -3.273 -3.103 -1.673 1.00 0.00 C ATOM 0 H LEU A 21 -2.328 -1.108 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.053 -0.228 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.333 -1.300 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.531 -0.178 -1.172 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.617 -2.498 -0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.637 -2.475 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.729 -0.944 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.232 -1.066 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.590 -3.900 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.148 -2.655 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.619 -3.516 -2.441 1.00 0.00 H new ATOM 318 N ASN A 22 -3.191 1.853 -3.920 1.00 0.00 N ATOM 319 CA ASN A 22 -3.144 3.269 -4.218 1.00 0.00 C ATOM 320 C ASN A 22 -4.473 3.923 -3.904 1.00 0.00 C ATOM 321 O ASN A 22 -4.534 4.948 -3.237 1.00 0.00 O ATOM 322 CB ASN A 22 -2.859 3.439 -5.703 1.00 0.00 C ATOM 323 CG ASN A 22 -1.361 3.483 -5.923 1.00 0.00 C ATOM 324 OD1 ASN A 22 -0.672 2.533 -5.607 1.00 0.00 O ATOM 325 ND2 ASN A 22 -0.863 4.614 -6.363 1.00 0.00 N ATOM 0 H ASN A 22 -3.455 1.280 -4.721 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.367 3.736 -3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.297 2.615 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.319 4.356 -6.071 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.147 4.726 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.486 5.382 -6.615 1.00 0.00 H new ATOM 332 N HIS A 23 -5.571 3.320 -4.355 1.00 0.00 N ATOM 333 CA HIS A 23 -6.905 3.872 -4.163 1.00 0.00 C ATOM 334 C HIS A 23 -7.252 3.905 -2.684 1.00 0.00 C ATOM 335 O HIS A 23 -7.534 4.973 -2.135 1.00 0.00 O ATOM 336 CB HIS A 23 -7.939 3.052 -4.937 1.00 0.00 C ATOM 337 CG HIS A 23 -7.752 3.076 -6.430 1.00 0.00 C ATOM 338 ND1 HIS A 23 -8.623 3.682 -7.318 1.00 0.00 N ATOM 339 CD2 HIS A 23 -6.741 2.497 -7.141 1.00 0.00 C ATOM 340 CE1 HIS A 23 -8.134 3.466 -8.556 1.00 0.00 C ATOM 341 NE2 HIS A 23 -6.982 2.768 -8.465 1.00 0.00 N ATOM 0 H HIS A 23 -5.558 2.436 -4.863 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.918 4.892 -4.546 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.898 2.018 -4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -8.935 3.427 -4.701 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.911 1.934 -6.739 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.592 3.799 -9.476 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.391 2.489 -9.248 1.00 0.00 H new ATOM 350 N CYS A 24 -7.202 2.742 -2.034 1.00 0.00 N ATOM 351 CA CYS A 24 -7.343 2.668 -0.583 1.00 0.00 C ATOM 352 C CYS A 24 -6.306 3.540 0.109 1.00 0.00 C ATOM 353 O CYS A 24 -6.597 4.023 1.186 1.00 0.00 O ATOM 354 CB CYS A 24 -7.186 1.233 -0.065 1.00 0.00 C ATOM 355 SG CYS A 24 -8.686 0.339 0.397 1.00 0.00 S ATOM 0 H CYS A 24 -7.065 1.840 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.347 3.024 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.673 0.654 -0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.530 1.260 0.805 1.00 0.00 H new ATOM 360 N GLY A 25 -5.147 3.783 -0.502 1.00 0.00 N ATOM 361 CA GLY A 25 -4.114 4.673 0.004 1.00 0.00 C ATOM 362 C GLY A 25 -4.554 6.138 -0.026 1.00 0.00 C ATOM 363 O GLY A 25 -4.530 6.799 1.004 1.00 0.00 O ATOM 0 H GLY A 25 -4.898 3.350 -1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.862 4.391 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.209 4.554 -0.592 1.00 0.00 H new ATOM 367 N MET A 26 -5.002 6.653 -1.177 1.00 0.00 N ATOM 368 CA MET A 26 -5.461 8.028 -1.371 1.00 0.00 C ATOM 369 C MET A 26 -6.499 8.444 -0.336 1.00 0.00 C ATOM 370 O MET A 26 -6.446 9.568 0.145 1.00 0.00 O ATOM 371 CB MET A 26 -6.099 8.176 -2.749 1.00 0.00 C ATOM 372 CG MET A 26 -5.088 8.507 -3.828 1.00 0.00 C ATOM 373 SD MET A 26 -5.909 8.665 -5.428 1.00 0.00 S ATOM 374 CE MET A 26 -4.711 9.743 -6.244 1.00 0.00 C ATOM 0 H MET A 26 -5.056 6.098 -2.031 1.00 0.00 H new ATOM 0 HA MET A 26 -4.583 8.665 -1.269 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.612 7.250 -3.009 1.00 0.00 H new ATOM 0 HB3 MET A 26 -6.855 8.960 -2.713 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.574 9.436 -3.582 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.329 7.726 -3.877 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.046 9.957 -7.259 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.622 10.675 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.741 9.247 -6.280 1.00 0.00 H new ATOM 384 N TYR A 27 -7.417 7.534 -0.006 1.00 0.00 N ATOM 385 CA TYR A 27 -8.409 7.727 1.046 1.00 0.00 C ATOM 386 C TYR A 27 -7.783 8.096 2.393 1.00 0.00 C ATOM 387 O TYR A 27 -8.282 8.945 3.124 1.00 0.00 O ATOM 388 CB TYR A 27 -9.189 6.416 1.174 1.00 0.00 C ATOM 389 CG TYR A 27 -10.317 6.483 2.187 1.00 0.00 C ATOM 390 CD1 TYR A 27 -11.325 7.440 2.013 1.00 0.00 C ATOM 391 CD2 TYR A 27 -10.309 5.630 3.303 1.00 0.00 C ATOM 392 CE1 TYR A 27 -12.346 7.543 2.979 1.00 0.00 C ATOM 393 CE2 TYR A 27 -11.364 5.704 4.246 1.00 0.00 C ATOM 394 CZ TYR A 27 -12.373 6.669 4.075 1.00 0.00 C ATOM 395 OH TYR A 27 -13.373 6.781 4.995 1.00 0.00 O ATOM 0 H TYR A 27 -7.491 6.629 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.056 8.561 0.775 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.600 6.150 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.502 5.619 1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -11.320 8.090 1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.505 4.923 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.111 8.298 2.875 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.393 5.027 5.087 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.253 6.104 5.693 1.00 0.00 H new ATOM 405 N LEU A 28 -6.648 7.475 2.694 1.00 0.00 N ATOM 406 CA LEU A 28 -5.875 7.712 3.904 1.00 0.00 C ATOM 407 C LEU A 28 -5.027 8.969 3.685 1.00 0.00 C ATOM 408 O LEU A 28 -4.954 9.838 4.550 1.00 0.00 O ATOM 409 CB LEU A 28 -5.041 6.447 4.244 1.00 0.00 C ATOM 410 CG LEU A 28 -5.712 5.087 3.960 1.00 0.00 C ATOM 411 CD1 LEU A 28 -4.664 4.005 3.638 1.00 0.00 C ATOM 412 CD2 LEU A 28 -6.672 4.673 5.070 1.00 0.00 C ATOM 0 H LEU A 28 -6.230 6.773 2.084 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.515 7.892 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.108 6.492 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.779 6.485 5.301 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.328 5.204 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.167 3.058 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.094 4.301 2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.989 3.889 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.119 3.710 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.127 4.591 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.457 5.422 5.170 1.00 0.00 H new ATOM 424 N MET A 29 -4.464 9.154 2.494 1.00 0.00 N ATOM 425 CA MET A 29 -3.679 10.329 2.120 1.00 0.00 C ATOM 426 C MET A 29 -4.502 11.615 2.048 1.00 0.00 C ATOM 427 O MET A 29 -3.944 12.687 1.825 1.00 0.00 O ATOM 428 CB MET A 29 -2.972 10.072 0.787 1.00 0.00 C ATOM 429 CG MET A 29 -1.462 10.272 0.918 1.00 0.00 C ATOM 430 SD MET A 29 -0.866 11.785 0.139 1.00 0.00 S ATOM 431 CE MET A 29 -0.889 11.243 -1.580 1.00 0.00 C ATOM 0 H MET A 29 -4.543 8.471 1.740 1.00 0.00 H new ATOM 0 HA MET A 29 -2.946 10.485 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 29 -3.180 9.056 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.367 10.746 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.196 10.288 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.951 9.418 0.474 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.106 11.356 -2.010 1.00 0.00 H new ATOM 0 HE2 MET A 29 -1.189 10.196 -1.627 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.599 11.849 -2.143 1.00 0.00 H new ATOM 441 N LYS A 30 -5.807 11.525 2.286 1.00 0.00 N ATOM 442 CA LYS A 30 -6.705 12.667 2.310 1.00 0.00 C ATOM 443 C LYS A 30 -6.525 13.509 3.561 1.00 0.00 C ATOM 444 O LYS A 30 -6.761 14.705 3.505 1.00 0.00 O ATOM 445 CB LYS A 30 -8.151 12.177 2.152 1.00 0.00 C ATOM 446 CG LYS A 30 -8.940 13.146 1.262 1.00 0.00 C ATOM 447 CD LYS A 30 -9.956 12.415 0.368 1.00 0.00 C ATOM 448 CE LYS A 30 -10.116 13.151 -0.964 1.00 0.00 C ATOM 449 NZ LYS A 30 -10.747 14.483 -0.781 1.00 0.00 N ATOM 0 H LYS A 30 -6.275 10.638 2.471 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.461 13.321 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.159 11.179 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.626 12.100 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.463 13.868 1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.247 13.709 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.624 11.392 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.919 12.353 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.140 13.272 -1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.723 12.550 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.470 14.628 -1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.191 14.531 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.022 15.224 -0.859 1.00 0.00 H new ATOM 463 N ASN A 31 -6.043 12.878 4.632 1.00 0.00 N ATOM 464 CA ASN A 31 -5.710 13.505 5.913 1.00 0.00 C ATOM 465 C ASN A 31 -4.319 13.108 6.428 1.00 0.00 C ATOM 466 O ASN A 31 -3.932 13.497 7.525 1.00 0.00 O ATOM 467 CB ASN A 31 -6.789 13.125 6.937 1.00 0.00 C ATOM 468 CG ASN A 31 -7.957 14.087 6.974 1.00 0.00 C ATOM 469 OD1 ASN A 31 -8.158 14.952 6.146 1.00 0.00 O ATOM 470 ND2 ASN A 31 -8.766 13.974 7.997 1.00 0.00 N ATOM 0 H ASN A 31 -5.866 11.873 4.631 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.682 14.585 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.160 12.126 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.337 13.078 7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.558 14.610 8.094 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.605 13.250 8.697 1.00 0.00 H new ATOM 477 N LEU A 32 -3.568 12.355 5.626 1.00 0.00 N ATOM 478 CA LEU A 32 -2.221 11.897 5.958 1.00 0.00 C ATOM 479 C LEU A 32 -1.170 12.544 5.055 1.00 0.00 C ATOM 480 O LEU A 32 0.027 12.437 5.306 1.00 0.00 O ATOM 481 CB LEU A 32 -2.150 10.366 5.871 1.00 0.00 C ATOM 482 CG LEU A 32 -3.142 9.672 6.839 1.00 0.00 C ATOM 483 CD1 LEU A 32 -3.331 8.192 6.510 1.00 0.00 C ATOM 484 CD2 LEU A 32 -2.734 9.791 8.293 1.00 0.00 C ATOM 0 H LEU A 32 -3.886 12.040 4.709 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.000 12.202 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.364 10.053 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.136 10.039 6.099 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.083 10.202 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.034 7.749 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.721 8.091 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.373 7.678 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.469 9.285 8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.757 9.330 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.683 10.844 8.572 1.00 0.00 H new ATOM 496 N GLY A 33 -1.614 13.228 3.998 1.00 0.00 N ATOM 497 CA GLY A 33 -0.771 13.981 3.088 1.00 0.00 C ATOM 498 C GLY A 33 -1.389 15.344 2.823 1.00 0.00 C ATOM 499 O GLY A 33 -2.604 15.455 2.666 1.00 0.00 O ATOM 0 H GLY A 33 -2.603 13.270 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.225 14.100 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.654 13.436 2.151 1.00 0.00 H new ATOM 503 N GLU A 34 -0.545 16.374 2.777 1.00 0.00 N ATOM 504 CA GLU A 34 -0.937 17.754 2.491 1.00 0.00 C ATOM 505 C GLU A 34 -1.640 17.860 1.128 1.00 0.00 C ATOM 506 O GLU A 34 -1.025 17.990 0.070 1.00 0.00 O ATOM 507 CB GLU A 34 0.282 18.685 2.585 1.00 0.00 C ATOM 508 CG GLU A 34 -0.149 20.074 3.063 1.00 0.00 C ATOM 509 CD GLU A 34 1.052 21.027 3.079 1.00 0.00 C ATOM 510 OE1 GLU A 34 1.422 21.505 1.980 1.00 0.00 O ATOM 511 OE2 GLU A 34 1.606 21.241 4.178 1.00 0.00 O ATOM 0 H GLU A 34 0.456 16.269 2.942 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.658 18.075 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.016 18.267 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.766 18.761 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.925 20.467 2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.581 20.005 4.062 1.00 0.00 H new ATOM 518 N ARG A 35 -2.963 17.699 1.136 1.00 0.00 N ATOM 519 CA ARG A 35 -3.790 17.674 -0.064 1.00 0.00 C ATOM 520 C ARG A 35 -5.061 18.485 0.151 1.00 0.00 C ATOM 521 O ARG A 35 -6.133 17.950 0.422 1.00 0.00 O ATOM 522 CB ARG A 35 -4.067 16.216 -0.506 1.00 0.00 C ATOM 523 CG ARG A 35 -3.710 16.038 -1.987 1.00 0.00 C ATOM 524 CD ARG A 35 -4.593 14.969 -2.642 1.00 0.00 C ATOM 525 NE ARG A 35 -4.466 15.002 -4.112 1.00 0.00 N ATOM 526 CZ ARG A 35 -4.981 15.915 -4.915 1.00 0.00 C ATOM 527 NH1 ARG A 35 -5.702 16.899 -4.451 1.00 0.00 N ATOM 528 NH2 ARG A 35 -4.774 15.877 -6.205 1.00 0.00 N ATOM 0 H ARG A 35 -3.498 17.580 1.996 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.251 18.148 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.483 15.526 0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.117 15.972 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.832 16.986 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.661 15.755 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.311 13.983 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.634 15.130 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.931 14.251 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.878 16.974 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.090 17.593 -5.090 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.206 15.132 -6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.181 16.592 -6.808 1.00 0.00 H new ATOM 542 N SER A 36 -4.943 19.798 -0.009 1.00 0.00 N ATOM 543 CA SER A 36 -6.067 20.717 0.161 1.00 0.00 C ATOM 544 C SER A 36 -6.419 21.341 -1.177 1.00 0.00 C ATOM 545 O SER A 36 -6.111 22.492 -1.481 1.00 0.00 O ATOM 546 CB SER A 36 -5.765 21.728 1.265 1.00 0.00 C ATOM 547 OG SER A 36 -4.531 22.382 1.018 1.00 0.00 O ATOM 0 H SER A 36 -4.067 20.257 -0.260 1.00 0.00 H new ATOM 0 HA SER A 36 -6.955 20.180 0.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.568 22.463 1.322 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.728 21.221 2.229 1.00 0.00 H new ATOM 0 HG SER A 36 -4.535 22.757 0.113 1.00 0.00 H new ATOM 553 N GLN A 37 -7.055 20.543 -2.032 1.00 0.00 N ATOM 554 CA GLN A 37 -7.480 21.062 -3.324 1.00 0.00 C ATOM 555 C GLN A 37 -8.620 22.061 -3.121 1.00 0.00 C ATOM 556 O GLN A 37 -9.564 21.777 -2.391 1.00 0.00 O ATOM 557 CB GLN A 37 -7.906 19.923 -4.258 1.00 0.00 C ATOM 558 CG GLN A 37 -7.356 20.191 -5.669 1.00 0.00 C ATOM 559 CD GLN A 37 -8.009 19.341 -6.745 1.00 0.00 C ATOM 560 OE1 GLN A 37 -9.016 18.691 -6.560 1.00 0.00 O ATOM 561 NE2 GLN A 37 -7.410 19.261 -7.907 1.00 0.00 N ATOM 0 H GLN A 37 -7.281 19.563 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.641 21.574 -3.796 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.531 18.971 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.993 19.848 -4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.499 21.244 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.282 20.006 -5.673 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.562 19.800 -8.082 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.792 18.660 -8.637 1.00 0.00 H new ATOM 570 N VAL A 38 -8.530 23.217 -3.781 1.00 0.00 N ATOM 571 CA VAL A 38 -9.552 24.266 -3.769 1.00 0.00 C ATOM 572 C VAL A 38 -10.933 23.694 -4.080 1.00 0.00 C ATOM 573 O VAL A 38 -11.258 23.364 -5.213 1.00 0.00 O ATOM 574 CB VAL A 38 -9.179 25.404 -4.731 1.00 0.00 C ATOM 575 CG1 VAL A 38 -9.095 24.959 -6.205 1.00 0.00 C ATOM 576 CG2 VAL A 38 -10.158 26.574 -4.566 1.00 0.00 C ATOM 0 H VAL A 38 -7.721 23.456 -4.355 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.595 24.686 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.174 25.729 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.828 25.812 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.337 24.183 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.061 24.567 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.885 27.376 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.170 26.235 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.115 26.943 -3.541 1.00 0.00 H new ATOM 586 N SER A 39 -11.745 23.521 -3.047 1.00 0.00 N ATOM 587 CA SER A 39 -13.073 22.927 -3.160 1.00 0.00 C ATOM 588 C SER A 39 -13.765 23.017 -1.796 1.00 0.00 C ATOM 589 O SER A 39 -13.713 22.074 -1.014 1.00 0.00 O ATOM 590 CB SER A 39 -13.005 21.461 -3.656 1.00 0.00 C ATOM 591 OG SER A 39 -14.306 21.067 -4.068 1.00 0.00 O ATOM 0 H SER A 39 -11.499 23.792 -2.095 1.00 0.00 H new ATOM 0 HA SER A 39 -13.649 23.478 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.302 21.373 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 39 -12.645 20.808 -2.861 1.00 0.00 H new ATOM 0 HG SER A 39 -14.282 20.141 -4.387 1.00 0.00 H new ATOM 597 N PRO A 40 -14.376 24.175 -1.462 1.00 0.00 N ATOM 598 CA PRO A 40 -15.114 24.357 -0.219 1.00 0.00 C ATOM 599 C PRO A 40 -16.457 23.621 -0.229 1.00 0.00 C ATOM 600 O PRO A 40 -17.522 24.170 0.027 1.00 0.00 O ATOM 601 CB PRO A 40 -15.237 25.867 -0.041 1.00 0.00 C ATOM 602 CG PRO A 40 -15.025 26.472 -1.432 1.00 0.00 C ATOM 603 CD PRO A 40 -14.401 25.372 -2.287 1.00 0.00 C ATOM 0 HA PRO A 40 -14.597 23.916 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.216 26.135 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.494 26.239 0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -15.971 26.807 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.372 27.343 -1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.984 25.207 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.394 25.648 -2.601 1.00 0.00 H new ATOM 611 N ARG A 41 -16.427 22.334 -0.571 1.00 0.00 N ATOM 612 CA ARG A 41 -17.592 21.484 -0.652 1.00 0.00 C ATOM 613 C ARG A 41 -17.159 20.019 -0.611 1.00 0.00 C ATOM 614 O ARG A 41 -17.067 19.404 -1.662 1.00 0.00 O ATOM 615 CB ARG A 41 -18.387 21.815 -1.942 1.00 0.00 C ATOM 616 CG ARG A 41 -19.865 21.489 -1.733 1.00 0.00 C ATOM 617 CD ARG A 41 -20.609 22.750 -1.271 1.00 0.00 C ATOM 618 NE ARG A 41 -21.878 22.411 -0.609 1.00 0.00 N ATOM 619 CZ ARG A 41 -22.001 21.861 0.588 1.00 0.00 C ATOM 620 NH1 ARG A 41 -20.960 21.580 1.322 1.00 0.00 N ATOM 621 NH2 ARG A 41 -23.175 21.576 1.074 1.00 0.00 N ATOM 0 H ARG A 41 -15.561 21.849 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 41 -18.249 21.662 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -18.269 22.869 -2.193 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.993 21.241 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -20.300 21.117 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.972 20.698 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.979 23.316 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -20.805 23.394 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 41 -22.738 22.618 -1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -20.022 21.784 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.084 21.156 2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -24.014 21.777 0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.255 21.152 1.998 1.00 0.00 H new ATOM 635 N MET A 42 -16.924 19.490 0.594 1.00 0.00 N ATOM 636 CA MET A 42 -16.610 18.076 0.831 1.00 0.00 C ATOM 637 C MET A 42 -17.428 17.164 -0.087 1.00 0.00 C ATOM 638 O MET A 42 -18.645 17.041 0.074 1.00 0.00 O ATOM 639 CB MET A 42 -16.866 17.700 2.297 1.00 0.00 C ATOM 640 CG MET A 42 -18.196 18.257 2.835 1.00 0.00 C ATOM 641 SD MET A 42 -19.181 17.040 3.728 1.00 0.00 S ATOM 642 CE MET A 42 -20.840 17.604 3.286 1.00 0.00 C ATOM 0 H MET A 42 -16.947 20.044 1.450 1.00 0.00 H new ATOM 0 HA MET A 42 -15.553 17.934 0.607 1.00 0.00 H new ATOM 0 HB2 MET A 42 -16.867 16.614 2.393 1.00 0.00 H new ATOM 0 HB3 MET A 42 -16.047 18.074 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 42 -17.987 19.098 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 42 -18.781 18.645 2.001 1.00 0.00 H new ATOM 0 HE1 MET A 42 -21.581 16.958 3.757 1.00 0.00 H new ATOM 0 HE2 MET A 42 -20.980 18.629 3.631 1.00 0.00 H new ATOM 0 HE3 MET A 42 -20.961 17.566 2.203 1.00 0.00 H new ATOM 652 N ARG A 43 -16.771 16.583 -1.093 1.00 0.00 N ATOM 653 CA ARG A 43 -17.422 15.730 -2.076 1.00 0.00 C ATOM 654 C ARG A 43 -16.412 15.099 -3.010 1.00 0.00 C ATOM 655 O ARG A 43 -15.722 15.795 -3.746 1.00 0.00 O ATOM 656 CB ARG A 43 -18.416 16.526 -2.943 1.00 0.00 C ATOM 657 CG ARG A 43 -19.609 15.633 -3.303 1.00 0.00 C ATOM 658 CD ARG A 43 -20.932 16.343 -2.996 1.00 0.00 C ATOM 659 NE ARG A 43 -21.427 17.072 -4.176 1.00 0.00 N ATOM 660 CZ ARG A 43 -22.049 16.524 -5.204 1.00 0.00 C ATOM 661 NH1 ARG A 43 -22.300 15.242 -5.249 1.00 0.00 N ATOM 662 NH2 ARG A 43 -22.414 17.249 -6.226 1.00 0.00 N ATOM 0 H ARG A 43 -15.769 16.695 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 43 -17.948 14.961 -1.511 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -18.759 17.409 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -17.924 16.877 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -19.568 15.372 -4.361 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -19.553 14.700 -2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.675 15.612 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -20.792 17.037 -2.168 1.00 0.00 H new ATOM 0 HE ARG A 43 -21.277 18.081 -4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -22.014 14.639 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -22.782 14.845 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -22.219 18.250 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -22.894 16.814 -7.014 1.00 0.00 H new ATOM 676 N GLU A 44 -16.361 13.776 -3.005 1.00 0.00 N ATOM 677 CA GLU A 44 -15.439 13.003 -3.821 1.00 0.00 C ATOM 678 C GLU A 44 -15.726 11.510 -3.668 1.00 0.00 C ATOM 679 O GLU A 44 -16.543 11.097 -2.847 1.00 0.00 O ATOM 680 CB GLU A 44 -13.982 13.325 -3.432 1.00 0.00 C ATOM 681 CG GLU A 44 -13.703 13.122 -1.928 1.00 0.00 C ATOM 682 CD GLU A 44 -14.014 14.361 -1.069 1.00 0.00 C ATOM 683 OE1 GLU A 44 -13.397 15.401 -1.347 1.00 0.00 O ATOM 684 OE2 GLU A 44 -14.746 14.230 -0.046 1.00 0.00 O ATOM 0 H GLU A 44 -16.970 13.200 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.580 13.274 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.309 12.692 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -13.759 14.357 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.297 12.282 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.655 12.852 -1.795 1.00 0.00 H new ATOM 691 N GLU A 45 -15.059 10.701 -4.487 1.00 0.00 N ATOM 692 CA GLU A 45 -15.174 9.253 -4.387 1.00 0.00 C ATOM 693 C GLU A 45 -14.425 8.699 -3.165 1.00 0.00 C ATOM 694 O GLU A 45 -13.290 9.090 -2.877 1.00 0.00 O ATOM 695 CB GLU A 45 -14.627 8.607 -5.663 1.00 0.00 C ATOM 696 CG GLU A 45 -15.279 7.242 -5.892 1.00 0.00 C ATOM 697 CD GLU A 45 -14.657 6.585 -7.123 1.00 0.00 C ATOM 698 OE1 GLU A 45 -15.055 6.986 -8.260 1.00 0.00 O ATOM 699 OE2 GLU A 45 -13.724 5.790 -6.937 1.00 0.00 O ATOM 0 H GLU A 45 -14.435 11.025 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.230 9.011 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.818 9.256 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.546 8.492 -5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.138 6.608 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.354 7.358 -6.032 1.00 0.00 H new ATOM 706 N ASP A 46 -15.024 7.706 -2.510 1.00 0.00 N ATOM 707 CA ASP A 46 -14.500 7.047 -1.324 1.00 0.00 C ATOM 708 C ASP A 46 -13.955 5.687 -1.745 1.00 0.00 C ATOM 709 O ASP A 46 -14.659 4.681 -1.869 1.00 0.00 O ATOM 710 CB ASP A 46 -15.606 6.952 -0.260 1.00 0.00 C ATOM 711 CG ASP A 46 -15.036 7.029 1.155 1.00 0.00 C ATOM 712 OD1 ASP A 46 -14.398 6.025 1.561 1.00 0.00 O ATOM 713 OD2 ASP A 46 -15.224 8.075 1.806 1.00 0.00 O ATOM 0 H ASP A 46 -15.923 7.326 -2.806 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.685 7.613 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.324 7.759 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.150 6.015 -0.383 1.00 0.00 H new ATOM 718 N HIS A 47 -12.675 5.659 -2.112 1.00 0.00 N ATOM 719 CA HIS A 47 -12.053 4.385 -2.460 1.00 0.00 C ATOM 720 C HIS A 47 -12.109 3.437 -1.268 1.00 0.00 C ATOM 721 O HIS A 47 -12.013 3.877 -0.136 1.00 0.00 O ATOM 722 CB HIS A 47 -10.599 4.596 -2.838 1.00 0.00 C ATOM 723 CG HIS A 47 -10.439 5.481 -4.051 1.00 0.00 C ATOM 724 ND1 HIS A 47 -11.335 5.572 -5.110 1.00 0.00 N ATOM 725 CD2 HIS A 47 -9.430 6.377 -4.266 1.00 0.00 C ATOM 726 CE1 HIS A 47 -10.862 6.499 -5.955 1.00 0.00 C ATOM 727 NE2 HIS A 47 -9.699 6.993 -5.474 1.00 0.00 N ATOM 0 H HIS A 47 -12.066 6.475 -2.175 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.595 3.959 -3.304 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -10.069 5.040 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -10.134 3.630 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.587 6.567 -3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.336 6.804 -6.876 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.119 7.700 -5.926 1.00 0.00 H new ATOM 736 N LYS A 48 -12.131 2.133 -1.560 1.00 0.00 N ATOM 737 CA LYS A 48 -12.304 1.011 -0.608 1.00 0.00 C ATOM 738 C LYS A 48 -12.612 -0.308 -1.304 1.00 0.00 C ATOM 739 O LYS A 48 -12.220 -1.372 -0.843 1.00 0.00 O ATOM 740 CB LYS A 48 -13.414 1.321 0.411 1.00 0.00 C ATOM 741 CG LYS A 48 -12.792 1.699 1.765 1.00 0.00 C ATOM 742 CD LYS A 48 -13.837 2.361 2.666 1.00 0.00 C ATOM 743 CE LYS A 48 -14.121 1.477 3.876 1.00 0.00 C ATOM 744 NZ LYS A 48 -13.073 1.641 4.903 1.00 0.00 N ATOM 0 H LYS A 48 -12.023 1.804 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.350 0.902 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.036 2.138 0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.064 0.454 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.395 0.808 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.953 2.378 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.479 3.337 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.757 2.531 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.093 1.732 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.172 0.433 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.286 1.030 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.150 1.375 4.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.043 2.633 5.213 1.00 0.00 H new ATOM 758 N GLN A 49 -13.237 -0.241 -2.476 1.00 0.00 N ATOM 759 CA GLN A 49 -13.491 -1.413 -3.316 1.00 0.00 C ATOM 760 C GLN A 49 -12.546 -1.484 -4.498 1.00 0.00 C ATOM 761 O GLN A 49 -12.190 -2.579 -4.917 1.00 0.00 O ATOM 762 CB GLN A 49 -14.946 -1.413 -3.792 1.00 0.00 C ATOM 763 CG GLN A 49 -15.826 -2.201 -2.815 1.00 0.00 C ATOM 764 CD GLN A 49 -16.082 -1.436 -1.525 1.00 0.00 C ATOM 765 OE1 GLN A 49 -16.423 -0.270 -1.510 1.00 0.00 O ATOM 766 NE2 GLN A 49 -15.895 -2.062 -0.387 1.00 0.00 N ATOM 0 H GLN A 49 -13.584 0.632 -2.874 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.311 -2.299 -2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.309 -0.388 -3.874 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.010 -1.854 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.778 -2.433 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -15.346 -3.152 -2.582 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.609 -3.041 -0.385 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.036 -1.570 0.495 1.00 0.00 H new ATOM 775 N LEU A 50 -12.034 -0.350 -4.963 1.00 0.00 N ATOM 776 CA LEU A 50 -11.032 -0.291 -6.022 1.00 0.00 C ATOM 777 C LEU A 50 -9.656 -0.746 -5.536 1.00 0.00 C ATOM 778 O LEU A 50 -8.743 -0.897 -6.333 1.00 0.00 O ATOM 779 CB LEU A 50 -10.975 1.152 -6.540 1.00 0.00 C ATOM 780 CG LEU A 50 -11.992 1.408 -7.673 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.304 2.900 -7.743 1.00 0.00 C ATOM 782 CD2 LEU A 50 -11.461 0.911 -9.026 1.00 0.00 C ATOM 0 H LEU A 50 -12.307 0.567 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.316 -0.974 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.171 1.839 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.969 1.366 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.903 0.852 -7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -13.022 3.084 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.726 3.228 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.387 3.454 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.202 1.107 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.536 1.434 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.269 -0.160 -8.970 1.00 0.00 H new ATOM 794 N CYS A 51 -9.501 -0.959 -4.233 1.00 0.00 N ATOM 795 CA CYS A 51 -8.300 -1.539 -3.666 1.00 0.00 C ATOM 796 C CYS A 51 -8.452 -3.036 -3.508 1.00 0.00 C ATOM 797 O CYS A 51 -7.647 -3.765 -4.080 1.00 0.00 O ATOM 798 CB CYS A 51 -7.946 -0.853 -2.345 1.00 0.00 C ATOM 799 SG CYS A 51 -9.362 -0.529 -1.269 1.00 0.00 S ATOM 0 H CYS A 51 -10.214 -0.730 -3.540 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.470 -1.371 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.231 -1.475 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.447 0.091 -2.562 1.00 0.00 H new ATOM 804 N CYS A 52 -9.515 -3.493 -2.847 1.00 0.00 N ATOM 805 CA CYS A 52 -9.821 -4.924 -2.719 1.00 0.00 C ATOM 806 C CYS A 52 -10.089 -5.587 -4.087 1.00 0.00 C ATOM 807 O CYS A 52 -10.105 -6.811 -4.196 1.00 0.00 O ATOM 808 CB CYS A 52 -10.988 -5.134 -1.750 1.00 0.00 C ATOM 809 SG CYS A 52 -10.918 -6.670 -0.781 1.00 0.00 S ATOM 0 H CYS A 52 -10.190 -2.885 -2.384 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.941 -5.417 -2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.025 -4.290 -1.062 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -11.918 -5.123 -2.318 1.00 0.00 H new ATOM 814 N MET A 53 -10.249 -4.789 -5.144 1.00 0.00 N ATOM 815 CA MET A 53 -10.455 -5.232 -6.516 1.00 0.00 C ATOM 816 C MET A 53 -9.175 -5.840 -7.099 1.00 0.00 C ATOM 817 O MET A 53 -9.035 -7.059 -7.168 1.00 0.00 O ATOM 818 CB MET A 53 -10.928 -4.049 -7.374 1.00 0.00 C ATOM 819 CG MET A 53 -11.111 -4.474 -8.831 1.00 0.00 C ATOM 820 SD MET A 53 -10.140 -3.475 -9.969 1.00 0.00 S ATOM 821 CE MET A 53 -9.611 -4.766 -11.121 1.00 0.00 C ATOM 0 H MET A 53 -10.237 -3.773 -5.059 1.00 0.00 H new ATOM 0 HA MET A 53 -11.221 -6.008 -6.519 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.869 -3.663 -6.982 1.00 0.00 H new ATOM 0 HB3 MET A 53 -10.202 -3.238 -7.315 1.00 0.00 H new ATOM 0 HG2 MET A 53 -10.827 -5.521 -8.939 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.165 -4.401 -9.097 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.907 -4.346 -11.840 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.127 -5.571 -10.568 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.479 -5.159 -11.650 1.00 0.00 H new ATOM 831 N GLN A 54 -8.220 -4.992 -7.499 1.00 0.00 N ATOM 832 CA GLN A 54 -6.939 -5.457 -8.027 1.00 0.00 C ATOM 833 C GLN A 54 -6.127 -6.222 -6.983 1.00 0.00 C ATOM 834 O GLN A 54 -5.205 -6.954 -7.324 1.00 0.00 O ATOM 835 CB GLN A 54 -6.106 -4.275 -8.532 1.00 0.00 C ATOM 836 CG GLN A 54 -6.446 -3.852 -9.967 1.00 0.00 C ATOM 837 CD GLN A 54 -7.117 -2.486 -10.101 1.00 0.00 C ATOM 838 OE1 GLN A 54 -7.347 -1.741 -9.166 1.00 0.00 O ATOM 839 NE2 GLN A 54 -7.516 -2.140 -11.304 1.00 0.00 N ATOM 0 H GLN A 54 -8.314 -3.977 -7.465 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.168 -6.135 -8.849 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.256 -3.425 -7.866 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.049 -4.538 -8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.528 -3.847 -10.554 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.101 -4.605 -10.405 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.331 -2.753 -12.098 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.010 -1.259 -11.444 1.00 0.00 H new ATOM 848 N LEU A 55 -6.507 -6.123 -5.714 1.00 0.00 N ATOM 849 CA LEU A 55 -5.921 -6.944 -4.671 1.00 0.00 C ATOM 850 C LEU A 55 -6.255 -8.418 -4.821 1.00 0.00 C ATOM 851 O LEU A 55 -5.384 -9.246 -4.591 1.00 0.00 O ATOM 852 CB LEU A 55 -6.422 -6.455 -3.317 1.00 0.00 C ATOM 853 CG LEU A 55 -5.489 -5.407 -2.681 1.00 0.00 C ATOM 854 CD1 LEU A 55 -6.186 -4.613 -1.552 1.00 0.00 C ATOM 855 CD2 LEU A 55 -4.162 -6.095 -2.274 1.00 0.00 C ATOM 0 H LEU A 55 -7.224 -5.476 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.838 -6.849 -4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.417 -6.025 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.520 -7.305 -2.642 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.237 -4.638 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.489 -3.887 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.054 -4.092 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.507 -5.300 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.495 -5.361 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.369 -6.888 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.687 -6.522 -3.158 1.00 0.00 H new ATOM 867 N LYS A 56 -7.478 -8.749 -5.239 1.00 0.00 N ATOM 868 CA LYS A 56 -7.861 -10.130 -5.568 1.00 0.00 C ATOM 869 C LYS A 56 -7.264 -10.599 -6.904 1.00 0.00 C ATOM 870 O LYS A 56 -7.322 -11.779 -7.235 1.00 0.00 O ATOM 871 CB LYS A 56 -9.390 -10.243 -5.546 1.00 0.00 C ATOM 872 CG LYS A 56 -9.871 -11.669 -5.873 1.00 0.00 C ATOM 873 CD LYS A 56 -10.999 -12.126 -4.958 1.00 0.00 C ATOM 874 CE LYS A 56 -11.428 -13.538 -5.363 1.00 0.00 C ATOM 875 NZ LYS A 56 -12.795 -13.807 -4.878 1.00 0.00 N ATOM 0 H LYS A 56 -8.231 -8.072 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.445 -10.799 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.760 -9.953 -4.563 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.815 -9.544 -6.266 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.209 -11.707 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.033 -12.361 -5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.669 -12.116 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.843 -11.441 -5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.391 -13.642 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.735 -14.271 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.079 -14.768 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.818 -13.726 -3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.453 -13.117 -5.293 1.00 0.00 H new ATOM 889 N ASN A 57 -6.693 -9.688 -7.679 1.00 0.00 N ATOM 890 CA ASN A 57 -5.962 -10.043 -8.893 1.00 0.00 C ATOM 891 C ASN A 57 -4.514 -10.427 -8.609 1.00 0.00 C ATOM 892 O ASN A 57 -3.921 -11.160 -9.399 1.00 0.00 O ATOM 893 CB ASN A 57 -5.947 -8.848 -9.852 1.00 0.00 C ATOM 894 CG ASN A 57 -7.032 -8.889 -10.903 1.00 0.00 C ATOM 895 OD1 ASN A 57 -7.617 -9.896 -11.261 1.00 0.00 O ATOM 896 ND2 ASN A 57 -7.347 -7.735 -11.437 1.00 0.00 N ATOM 0 H ASN A 57 -6.721 -8.686 -7.488 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.473 -10.901 -9.329 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.050 -7.930 -9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.977 -8.805 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.077 -7.684 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.862 -6.887 -11.143 1.00 0.00 H new ATOM 903 N LEU A 58 -3.948 -9.912 -7.518 1.00 0.00 N ATOM 904 CA LEU A 58 -2.620 -10.279 -7.080 1.00 0.00 C ATOM 905 C LEU A 58 -2.580 -11.725 -6.567 1.00 0.00 C ATOM 906 O LEU A 58 -3.550 -12.472 -6.654 1.00 0.00 O ATOM 907 CB LEU A 58 -2.112 -9.251 -6.042 1.00 0.00 C ATOM 908 CG LEU A 58 -1.095 -8.258 -6.622 1.00 0.00 C ATOM 909 CD1 LEU A 58 -0.415 -7.561 -5.445 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.002 -8.907 -7.477 1.00 0.00 C ATOM 0 H LEU A 58 -4.407 -9.227 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.938 -10.250 -7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.962 -8.698 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.656 -9.783 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.645 -7.580 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.317 -6.845 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.164 -7.037 -4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.087 -8.303 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.678 -8.136 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.562 -9.620 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.453 -9.426 -8.320 1.00 0.00 H new ATOM 922 N ASP A 59 -1.434 -12.120 -6.026 1.00 0.00 N ATOM 923 CA ASP A 59 -1.256 -13.438 -5.435 1.00 0.00 C ATOM 924 C ASP A 59 -1.399 -13.392 -3.921 1.00 0.00 C ATOM 925 O ASP A 59 -0.997 -12.426 -3.266 1.00 0.00 O ATOM 926 CB ASP A 59 0.153 -13.941 -5.730 1.00 0.00 C ATOM 927 CG ASP A 59 0.287 -14.611 -7.094 1.00 0.00 C ATOM 928 OD1 ASP A 59 -0.415 -15.636 -7.296 1.00 0.00 O ATOM 929 OD2 ASP A 59 1.145 -14.141 -7.861 1.00 0.00 O ATOM 0 H ASP A 59 -0.601 -11.533 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.018 -14.091 -5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.848 -13.103 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.447 -14.650 -4.956 1.00 0.00 H new ATOM 934 N GLU A 60 -1.844 -14.500 -3.333 1.00 0.00 N ATOM 935 CA GLU A 60 -1.992 -14.615 -1.878 1.00 0.00 C ATOM 936 C GLU A 60 -0.653 -14.520 -1.143 1.00 0.00 C ATOM 937 O GLU A 60 -0.548 -14.023 -0.020 1.00 0.00 O ATOM 938 CB GLU A 60 -2.670 -15.944 -1.533 1.00 0.00 C ATOM 939 CG GLU A 60 -3.744 -15.730 -0.460 1.00 0.00 C ATOM 940 CD GLU A 60 -4.099 -17.029 0.270 1.00 0.00 C ATOM 941 OE1 GLU A 60 -3.154 -17.706 0.730 1.00 0.00 O ATOM 942 OE2 GLU A 60 -5.318 -17.315 0.370 1.00 0.00 O ATOM 0 H GLU A 60 -2.112 -15.341 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.606 -13.777 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.121 -16.373 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.927 -16.657 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.392 -14.994 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.641 -15.319 -0.923 1.00 0.00 H new ATOM 949 N LYS A 61 0.422 -14.917 -1.826 1.00 0.00 N ATOM 950 CA LYS A 61 1.786 -14.751 -1.337 1.00 0.00 C ATOM 951 C LYS A 61 2.335 -13.355 -1.609 1.00 0.00 C ATOM 952 O LYS A 61 3.333 -12.971 -1.018 1.00 0.00 O ATOM 953 CB LYS A 61 2.669 -15.842 -1.945 1.00 0.00 C ATOM 954 CG LYS A 61 4.107 -15.766 -1.398 1.00 0.00 C ATOM 955 CD LYS A 61 4.672 -17.142 -1.061 1.00 0.00 C ATOM 956 CE LYS A 61 5.877 -16.983 -0.133 1.00 0.00 C ATOM 957 NZ LYS A 61 6.569 -18.276 0.026 1.00 0.00 N ATOM 0 H LYS A 61 0.367 -15.366 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 61 1.783 -14.856 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.245 -16.821 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.684 -15.738 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.749 -15.283 -2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.121 -15.141 -0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.908 -17.754 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.968 -17.659 -1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.564 -16.242 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.551 -16.614 0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.386 -18.157 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.914 -18.973 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.896 -18.611 -0.903 1.00 0.00 H new ATOM 971 N CYS A 62 1.690 -12.564 -2.454 1.00 0.00 N ATOM 972 CA CYS A 62 2.020 -11.165 -2.662 1.00 0.00 C ATOM 973 C CYS A 62 1.154 -10.240 -1.812 1.00 0.00 C ATOM 974 O CYS A 62 1.506 -9.095 -1.539 1.00 0.00 O ATOM 975 CB CYS A 62 1.875 -10.858 -4.137 1.00 0.00 C ATOM 976 SG CYS A 62 3.111 -11.743 -5.133 1.00 0.00 S ATOM 0 H CYS A 62 0.908 -12.885 -3.024 1.00 0.00 H new ATOM 0 HA CYS A 62 3.048 -10.987 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.874 -11.134 -4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.979 -9.785 -4.297 1.00 0.00 H new ATOM 981 N MET A 63 0.049 -10.729 -1.281 1.00 0.00 N ATOM 982 CA MET A 63 -0.845 -9.948 -0.443 1.00 0.00 C ATOM 983 C MET A 63 -0.330 -9.892 1.001 1.00 0.00 C ATOM 984 O MET A 63 -0.944 -10.408 1.916 1.00 0.00 O ATOM 985 CB MET A 63 -2.214 -10.601 -0.536 1.00 0.00 C ATOM 986 CG MET A 63 -2.974 -10.235 -1.819 1.00 0.00 C ATOM 987 SD MET A 63 -3.954 -11.587 -2.513 1.00 0.00 S ATOM 988 CE MET A 63 -4.791 -12.227 -1.035 1.00 0.00 C ATOM 0 H MET A 63 -0.258 -11.692 -1.421 1.00 0.00 H new ATOM 0 HA MET A 63 -0.901 -8.913 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 63 -2.097 -11.684 -0.487 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.809 -10.306 0.328 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.634 -9.394 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.258 -9.899 -2.569 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.242 -13.193 -1.262 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.067 -12.345 -0.229 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.568 -11.528 -0.725 1.00 0.00 H new ATOM 998 N CYS A 64 0.821 -9.273 1.221 1.00 0.00 N ATOM 999 CA CYS A 64 1.490 -9.170 2.525 1.00 0.00 C ATOM 1000 C CYS A 64 2.876 -8.590 2.320 1.00 0.00 C ATOM 1001 O CYS A 64 3.142 -7.510 2.834 1.00 0.00 O ATOM 1002 CB CYS A 64 1.550 -10.524 3.294 1.00 0.00 C ATOM 1003 SG CYS A 64 3.044 -10.855 4.283 1.00 0.00 S ATOM 0 H CYS A 64 1.339 -8.810 0.474 1.00 0.00 H new ATOM 0 HA CYS A 64 0.898 -8.507 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.687 -10.574 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.440 -11.330 2.568 1.00 0.00 H new ATOM 1008 N PRO A 65 3.745 -9.295 1.572 1.00 0.00 N ATOM 1009 CA PRO A 65 5.085 -8.826 1.322 1.00 0.00 C ATOM 1010 C PRO A 65 5.081 -7.704 0.306 1.00 0.00 C ATOM 1011 O PRO A 65 5.873 -6.775 0.398 1.00 0.00 O ATOM 1012 CB PRO A 65 5.861 -10.019 0.786 1.00 0.00 C ATOM 1013 CG PRO A 65 4.812 -10.994 0.281 1.00 0.00 C ATOM 1014 CD PRO A 65 3.486 -10.542 0.863 1.00 0.00 C ATOM 0 HA PRO A 65 5.537 -8.431 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.536 -9.720 -0.016 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.473 -10.471 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.777 -10.996 -0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.046 -12.012 0.594 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.748 -10.393 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.083 -11.296 1.539 1.00 0.00 H new ATOM 1022 N ALA A 66 4.187 -7.773 -0.681 1.00 0.00 N ATOM 1023 CA ALA A 66 4.057 -6.721 -1.660 1.00 0.00 C ATOM 1024 C ALA A 66 3.572 -5.451 -0.978 1.00 0.00 C ATOM 1025 O ALA A 66 4.261 -4.451 -1.133 1.00 0.00 O ATOM 1026 CB ALA A 66 3.148 -7.169 -2.798 1.00 0.00 C ATOM 0 H ALA A 66 3.545 -8.554 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 66 5.027 -6.500 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.058 -6.366 -3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.573 -8.051 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.162 -7.411 -2.402 1.00 0.00 H new ATOM 1032 N ILE A 67 2.486 -5.503 -0.186 1.00 0.00 N ATOM 1033 CA ILE A 67 1.927 -4.349 0.542 1.00 0.00 C ATOM 1034 C ILE A 67 3.049 -3.452 1.063 1.00 0.00 C ATOM 1035 O ILE A 67 3.015 -2.246 0.878 1.00 0.00 O ATOM 1036 CB ILE A 67 1.010 -4.802 1.696 1.00 0.00 C ATOM 1037 CG1 ILE A 67 -0.218 -5.544 1.103 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.656 -3.642 2.669 1.00 0.00 C ATOM 1039 CD1 ILE A 67 -1.560 -5.041 1.602 1.00 0.00 C ATOM 0 H ILE A 67 1.962 -6.364 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 67 1.318 -3.775 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 67 1.544 -5.509 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.191 -5.453 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.133 -6.605 1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.009 -4.017 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.571 -3.242 3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.140 -2.853 2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.360 -5.616 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.613 -5.158 2.684 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.672 -3.988 1.345 1.00 0.00 H new ATOM 1051 N MET A 68 4.079 -4.039 1.662 1.00 0.00 N ATOM 1052 CA MET A 68 5.274 -3.309 2.082 1.00 0.00 C ATOM 1053 C MET A 68 5.792 -2.368 1.002 1.00 0.00 C ATOM 1054 O MET A 68 5.700 -1.154 1.154 1.00 0.00 O ATOM 1055 CB MET A 68 6.370 -4.288 2.504 1.00 0.00 C ATOM 1056 CG MET A 68 5.926 -5.144 3.691 1.00 0.00 C ATOM 1057 SD MET A 68 6.692 -4.649 5.250 1.00 0.00 S ATOM 1058 CE MET A 68 5.970 -2.987 5.393 1.00 0.00 C ATOM 0 H MET A 68 4.111 -5.037 1.871 1.00 0.00 H new ATOM 0 HA MET A 68 4.991 -2.691 2.934 1.00 0.00 H new ATOM 0 HB2 MET A 68 6.627 -4.933 1.664 1.00 0.00 H new ATOM 0 HB3 MET A 68 7.271 -3.735 2.769 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.842 -5.082 3.790 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.169 -6.187 3.489 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.151 -2.596 6.394 1.00 0.00 H new ATOM 0 HE2 MET A 68 6.429 -2.326 4.657 1.00 0.00 H new ATOM 0 HE3 MET A 68 4.896 -3.040 5.213 1.00 0.00 H new ATOM 1068 N MET A 69 6.266 -2.921 -0.106 1.00 0.00 N ATOM 1069 CA MET A 69 6.728 -2.170 -1.257 1.00 0.00 C ATOM 1070 C MET A 69 5.685 -1.257 -1.898 1.00 0.00 C ATOM 1071 O MET A 69 6.036 -0.236 -2.485 1.00 0.00 O ATOM 1072 CB MET A 69 7.141 -3.149 -2.329 1.00 0.00 C ATOM 1073 CG MET A 69 8.463 -3.838 -2.041 1.00 0.00 C ATOM 1074 SD MET A 69 9.811 -2.635 -1.930 1.00 0.00 S ATOM 1075 CE MET A 69 11.153 -3.600 -2.649 1.00 0.00 C ATOM 0 H MET A 69 6.340 -3.931 -0.229 1.00 0.00 H new ATOM 0 HA MET A 69 7.535 -1.539 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.363 -3.904 -2.440 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.214 -2.624 -3.281 1.00 0.00 H new ATOM 0 HG2 MET A 69 8.391 -4.396 -1.107 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.680 -4.561 -2.828 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.066 -3.004 -2.658 1.00 0.00 H new ATOM 0 HE2 MET A 69 11.313 -4.500 -2.055 1.00 0.00 H new ATOM 0 HE3 MET A 69 10.893 -3.880 -3.670 1.00 0.00 H new ATOM 1085 N MET A 70 4.396 -1.599 -1.794 1.00 0.00 N ATOM 1086 CA MET A 70 3.319 -0.694 -2.212 1.00 0.00 C ATOM 1087 C MET A 70 3.455 0.663 -1.523 1.00 0.00 C ATOM 1088 O MET A 70 3.255 1.708 -2.126 1.00 0.00 O ATOM 1089 CB MET A 70 1.957 -1.287 -1.873 1.00 0.00 C ATOM 1090 CG MET A 70 0.970 -0.389 -1.119 1.00 0.00 C ATOM 1091 SD MET A 70 0.241 -1.176 0.351 1.00 0.00 S ATOM 1092 CE MET A 70 -0.635 0.252 1.054 1.00 0.00 C ATOM 0 H MET A 70 4.073 -2.494 -1.425 1.00 0.00 H new ATOM 0 HA MET A 70 3.399 -0.561 -3.291 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.484 -1.602 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.119 -2.186 -1.278 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.482 0.524 -0.815 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.169 -0.094 -1.797 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.605 0.198 2.142 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.155 1.173 0.723 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.672 0.243 0.719 1.00 0.00 H new ATOM 1102 N LEU A 71 3.819 0.647 -0.231 1.00 0.00 N ATOM 1103 CA LEU A 71 3.981 1.867 0.549 1.00 0.00 C ATOM 1104 C LEU A 71 5.420 2.344 0.458 1.00 0.00 C ATOM 1105 O LEU A 71 5.850 3.121 1.299 1.00 0.00 O ATOM 1106 CB LEU A 71 3.591 1.680 2.020 1.00 0.00 C ATOM 1107 CG LEU A 71 2.186 1.108 2.220 1.00 0.00 C ATOM 1108 CD1 LEU A 71 2.243 -0.184 3.026 1.00 0.00 C ATOM 1109 CD2 LEU A 71 1.218 2.084 2.876 1.00 0.00 C ATOM 0 H LEU A 71 4.006 -0.209 0.292 1.00 0.00 H new ATOM 0 HA LEU A 71 3.308 2.613 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.314 1.017 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.657 2.642 2.529 1.00 0.00 H new ATOM 0 HG LEU A 71 1.800 0.907 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.234 -0.575 3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.850 -0.917 2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.685 0.015 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.242 1.610 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.597 2.367 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.121 2.974 2.254 1.00 0.00 H new ATOM 1121 N ASN A 72 6.154 1.903 -0.541 1.00 0.00 N ATOM 1122 CA ASN A 72 7.504 2.354 -0.839 1.00 0.00 C ATOM 1123 C ASN A 72 7.581 3.019 -2.209 1.00 0.00 C ATOM 1124 O ASN A 72 8.645 3.536 -2.573 1.00 0.00 O ATOM 1125 CB ASN A 72 8.462 1.163 -0.815 1.00 0.00 C ATOM 1126 CG ASN A 72 8.697 0.611 0.577 1.00 0.00 C ATOM 1127 OD1 ASN A 72 7.861 0.508 1.457 1.00 0.00 O ATOM 1128 ND2 ASN A 72 9.918 0.268 0.869 1.00 0.00 N ATOM 0 H ASN A 72 5.818 1.195 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 72 7.785 3.085 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.063 0.372 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.417 1.465 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.143 -0.071 1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.650 0.338 0.162 1.00 0.00 H new ATOM 1135 N GLU A 73 6.480 2.998 -2.958 1.00 0.00 N ATOM 1136 CA GLU A 73 6.400 3.605 -4.281 1.00 0.00 C ATOM 1137 C GLU A 73 6.654 5.124 -4.209 1.00 0.00 C ATOM 1138 O GLU A 73 6.762 5.678 -3.117 1.00 0.00 O ATOM 1139 CB GLU A 73 5.023 3.268 -4.890 1.00 0.00 C ATOM 1140 CG GLU A 73 5.177 2.392 -6.148 1.00 0.00 C ATOM 1141 CD GLU A 73 4.165 2.809 -7.216 1.00 0.00 C ATOM 1142 OE1 GLU A 73 2.967 2.874 -6.872 1.00 0.00 O ATOM 1143 OE2 GLU A 73 4.635 3.147 -8.324 1.00 0.00 O ATOM 0 H GLU A 73 5.612 2.555 -2.659 1.00 0.00 H new ATOM 0 HA GLU A 73 7.178 3.200 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.412 2.748 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.499 4.189 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.189 2.485 -6.541 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.030 1.343 -5.889 1.00 0.00 H new ATOM 1150 N PRO A 74 6.729 5.832 -5.366 1.00 0.00 N ATOM 1151 CA PRO A 74 6.903 7.274 -5.429 1.00 0.00 C ATOM 1152 C PRO A 74 5.698 8.074 -4.936 1.00 0.00 C ATOM 1153 O PRO A 74 5.366 9.144 -5.417 1.00 0.00 O ATOM 1154 CB PRO A 74 7.264 7.565 -6.881 1.00 0.00 C ATOM 1155 CG PRO A 74 6.759 6.377 -7.700 1.00 0.00 C ATOM 1156 CD PRO A 74 6.496 5.281 -6.690 1.00 0.00 C ATOM 0 HA PRO A 74 7.687 7.598 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.801 8.493 -7.217 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.341 7.686 -6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.852 6.633 -8.248 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.499 6.064 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.472 4.918 -6.778 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.152 4.430 -6.870 1.00 0.00 H new ATOM 1164 N MET A 75 5.015 7.545 -3.926 1.00 0.00 N ATOM 1165 CA MET A 75 3.836 8.137 -3.342 1.00 0.00 C ATOM 1166 C MET A 75 3.578 7.616 -1.940 1.00 0.00 C ATOM 1167 O MET A 75 2.457 7.713 -1.465 1.00 0.00 O ATOM 1168 CB MET A 75 2.627 7.852 -4.245 1.00 0.00 C ATOM 1169 CG MET A 75 2.000 9.169 -4.667 1.00 0.00 C ATOM 1170 SD MET A 75 0.331 8.933 -5.318 1.00 0.00 S ATOM 1171 CE MET A 75 0.210 10.420 -6.320 1.00 0.00 C ATOM 0 H MET A 75 5.282 6.665 -3.484 1.00 0.00 H new ATOM 0 HA MET A 75 3.996 9.212 -3.263 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.939 7.286 -5.123 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.897 7.241 -3.714 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.966 9.846 -3.814 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.623 9.643 -5.425 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.764 10.452 -6.808 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.326 11.298 -5.684 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.994 10.414 -7.077 1.00 0.00 H new ATOM 1181 N TRP A 76 4.584 7.074 -1.255 1.00 0.00 N ATOM 1182 CA TRP A 76 4.450 6.517 0.087 1.00 0.00 C ATOM 1183 C TRP A 76 5.827 6.543 0.750 1.00 0.00 C ATOM 1184 O TRP A 76 6.591 5.581 0.673 1.00 0.00 O ATOM 1185 CB TRP A 76 3.853 5.107 -0.016 1.00 0.00 C ATOM 1186 CG TRP A 76 2.470 5.013 -0.582 1.00 0.00 C ATOM 1187 CD1 TRP A 76 2.135 4.459 -1.772 1.00 0.00 C ATOM 1188 CD2 TRP A 76 1.250 5.616 -0.071 1.00 0.00 C ATOM 1189 NE1 TRP A 76 0.790 4.647 -2.015 1.00 0.00 N ATOM 1190 CE2 TRP A 76 0.210 5.382 -1.005 1.00 0.00 C ATOM 1191 CE3 TRP A 76 0.978 6.447 1.025 1.00 0.00 C ATOM 1192 CZ2 TRP A 76 -1.078 5.908 -0.828 1.00 0.00 C ATOM 1193 CZ3 TRP A 76 -0.300 6.976 1.213 1.00 0.00 C ATOM 1194 CH2 TRP A 76 -1.326 6.679 0.324 1.00 0.00 C ATOM 0 H TRP A 76 5.532 7.009 -1.626 1.00 0.00 H new ATOM 0 HA TRP A 76 3.772 7.101 0.709 1.00 0.00 H new ATOM 0 HB2 TRP A 76 4.516 4.498 -0.630 1.00 0.00 H new ATOM 0 HB3 TRP A 76 3.846 4.665 0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 76 2.819 3.946 -2.432 1.00 0.00 H new ATOM 0 HE1 TRP A 76 0.293 4.290 -2.831 1.00 0.00 H new ATOM 0 HE3 TRP A 76 1.763 6.680 1.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -1.857 5.727 -1.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -0.493 7.622 2.057 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -2.324 7.043 0.519 1.00 0.00 H new ATOM 1205 N ILE A 77 6.206 7.670 1.355 1.00 0.00 N ATOM 1206 CA ILE A 77 7.546 7.832 1.960 1.00 0.00 C ATOM 1207 C ILE A 77 7.380 8.218 3.419 1.00 0.00 C ATOM 1208 O ILE A 77 7.112 7.381 4.261 1.00 0.00 O ATOM 1209 CB ILE A 77 8.444 8.790 1.143 1.00 0.00 C ATOM 1210 CG1 ILE A 77 8.881 8.219 -0.223 1.00 0.00 C ATOM 1211 CG2 ILE A 77 9.710 9.225 1.926 1.00 0.00 C ATOM 1212 CD1 ILE A 77 7.728 7.991 -1.203 1.00 0.00 C ATOM 0 H ILE A 77 5.608 8.491 1.444 1.00 0.00 H new ATOM 0 HA ILE A 77 8.085 6.885 1.931 1.00 0.00 H new ATOM 0 HB ILE A 77 7.809 9.657 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.600 8.901 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.398 7.273 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.307 9.897 1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.414 9.739 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 77 10.301 8.345 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.119 7.589 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.019 7.284 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.224 8.937 -1.398 1.00 0.00 H new ATOM 1224 N ARG A 78 7.471 9.506 3.729 1.00 0.00 N ATOM 1225 CA ARG A 78 7.296 10.029 5.090 1.00 0.00 C ATOM 1226 C ARG A 78 5.837 10.372 5.393 1.00 0.00 C ATOM 1227 O ARG A 78 5.525 11.033 6.372 1.00 0.00 O ATOM 1228 CB ARG A 78 8.212 11.234 5.267 1.00 0.00 C ATOM 1229 CG ARG A 78 7.626 12.494 4.599 1.00 0.00 C ATOM 1230 CD ARG A 78 8.697 13.349 3.929 1.00 0.00 C ATOM 1231 NE ARG A 78 8.759 14.695 4.514 1.00 0.00 N ATOM 1232 CZ ARG A 78 9.671 15.609 4.244 1.00 0.00 C ATOM 1233 NH1 ARG A 78 10.630 15.377 3.388 1.00 0.00 N ATOM 1234 NH2 ARG A 78 9.623 16.774 4.825 1.00 0.00 N ATOM 0 H ARG A 78 7.671 10.230 3.038 1.00 0.00 H new ATOM 0 HA ARG A 78 7.570 9.256 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.365 11.422 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.190 11.015 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.885 12.197 3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.105 13.090 5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.667 12.863 4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.488 13.425 2.862 1.00 0.00 H new ATOM 0 HE ARG A 78 8.034 14.944 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.684 14.475 2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.325 16.097 3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.879 16.982 5.491 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.330 17.479 4.614 1.00 0.00 H new ATOM 1248 N MET A 79 4.959 9.973 4.487 1.00 0.00 N ATOM 1249 CA MET A 79 3.524 10.232 4.499 1.00 0.00 C ATOM 1250 C MET A 79 2.769 8.930 4.717 1.00 0.00 C ATOM 1251 O MET A 79 1.668 8.909 5.266 1.00 0.00 O ATOM 1252 CB MET A 79 3.085 10.873 3.175 1.00 0.00 C ATOM 1253 CG MET A 79 3.933 10.443 1.969 1.00 0.00 C ATOM 1254 SD MET A 79 3.234 10.902 0.387 1.00 0.00 S ATOM 1255 CE MET A 79 1.942 9.643 0.358 1.00 0.00 C ATOM 0 H MET A 79 5.244 9.427 3.674 1.00 0.00 H new ATOM 0 HA MET A 79 3.298 10.921 5.313 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.043 10.616 2.985 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.133 11.958 3.273 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.925 10.886 2.059 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.064 9.361 1.997 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.432 9.668 -0.605 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.389 8.660 0.507 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.224 9.840 1.154 1.00 0.00 H new ATOM 1265 N ARG A 80 3.395 7.809 4.340 1.00 0.00 N ATOM 1266 CA ARG A 80 2.849 6.492 4.632 1.00 0.00 C ATOM 1267 C ARG A 80 3.035 6.053 6.063 1.00 0.00 C ATOM 1268 O ARG A 80 2.316 5.138 6.452 1.00 0.00 O ATOM 1269 CB ARG A 80 3.469 5.411 3.757 1.00 0.00 C ATOM 1270 CG ARG A 80 4.986 5.377 3.937 1.00 0.00 C ATOM 1271 CD ARG A 80 5.549 4.014 4.292 1.00 0.00 C ATOM 1272 NE ARG A 80 6.962 4.140 4.683 1.00 0.00 N ATOM 1273 CZ ARG A 80 8.015 4.199 3.888 1.00 0.00 C ATOM 1274 NH1 ARG A 80 7.922 4.163 2.586 1.00 0.00 N ATOM 1275 NH2 ARG A 80 9.219 4.314 4.354 1.00 0.00 N ATOM 0 H ARG A 80 4.280 7.795 3.832 1.00 0.00 H new ATOM 0 HA ARG A 80 1.784 6.605 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.045 4.440 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.226 5.598 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.456 5.721 3.016 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.262 6.085 4.719 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.975 3.576 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.457 3.340 3.440 1.00 0.00 H new ATOM 0 HE ARG A 80 7.150 4.187 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.007 4.086 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 80 8.764 4.212 2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.374 4.362 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 80 10.012 4.357 3.714 1.00 0.00 H new ATOM 1289 N ASP A 81 3.931 6.635 6.823 1.00 0.00 N ATOM 1290 CA ASP A 81 4.130 6.295 8.240 1.00 0.00 C ATOM 1291 C ASP A 81 2.807 6.198 9.014 1.00 0.00 C ATOM 1292 O ASP A 81 2.610 5.384 9.920 1.00 0.00 O ATOM 1293 CB ASP A 81 5.018 7.374 8.861 1.00 0.00 C ATOM 1294 CG ASP A 81 6.158 6.794 9.687 1.00 0.00 C ATOM 1295 OD1 ASP A 81 6.675 5.725 9.292 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.558 7.492 10.643 1.00 0.00 O ATOM 0 H ASP A 81 4.556 7.367 6.486 1.00 0.00 H new ATOM 0 HA ASP A 81 4.598 5.312 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.430 7.999 8.069 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.409 8.020 9.493 1.00 0.00 H new ATOM 1301 N GLN A 82 1.842 6.987 8.575 1.00 0.00 N ATOM 1302 CA GLN A 82 0.500 7.053 9.107 1.00 0.00 C ATOM 1303 C GLN A 82 -0.460 6.107 8.379 1.00 0.00 C ATOM 1304 O GLN A 82 -1.216 5.352 8.988 1.00 0.00 O ATOM 1305 CB GLN A 82 0.009 8.490 8.995 1.00 0.00 C ATOM 1306 CG GLN A 82 1.085 9.567 9.217 1.00 0.00 C ATOM 1307 CD GLN A 82 0.538 10.942 9.572 1.00 0.00 C ATOM 1308 OE1 GLN A 82 -0.490 11.122 10.196 1.00 0.00 O ATOM 1309 NE2 GLN A 82 1.265 11.968 9.205 1.00 0.00 N ATOM 0 H GLN A 82 1.985 7.631 7.797 1.00 0.00 H new ATOM 0 HA GLN A 82 0.523 6.734 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -0.427 8.633 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.790 8.642 9.721 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.751 9.238 10.015 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.688 9.652 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.128 11.820 8.681 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.968 12.914 9.443 1.00 0.00 H new ATOM 1318 N VAL A 83 -0.387 6.100 7.038 1.00 0.00 N ATOM 1319 CA VAL A 83 -1.182 5.212 6.187 1.00 0.00 C ATOM 1320 C VAL A 83 -0.791 3.747 6.410 1.00 0.00 C ATOM 1321 O VAL A 83 -1.495 2.842 6.015 1.00 0.00 O ATOM 1322 CB VAL A 83 -1.096 5.613 4.702 1.00 0.00 C ATOM 1323 CG1 VAL A 83 -1.001 7.137 4.461 1.00 0.00 C ATOM 1324 CG2 VAL A 83 0.043 4.881 3.990 1.00 0.00 C ATOM 0 H VAL A 83 0.232 6.718 6.513 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.227 5.321 6.477 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.046 5.300 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.944 7.333 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.884 7.626 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.108 7.528 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.075 5.187 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.990 5.128 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.123 3.805 4.048 1.00 0.00 H new ATOM 1334 N MET A 84 0.354 3.517 7.058 1.00 0.00 N ATOM 1335 CA MET A 84 0.915 2.227 7.399 1.00 0.00 C ATOM 1336 C MET A 84 0.016 1.550 8.411 1.00 0.00 C ATOM 1337 O MET A 84 -0.388 0.408 8.208 1.00 0.00 O ATOM 1338 CB MET A 84 2.329 2.382 7.995 1.00 0.00 C ATOM 1339 CG MET A 84 3.367 1.750 7.076 1.00 0.00 C ATOM 1340 SD MET A 84 4.832 1.170 7.958 1.00 0.00 S ATOM 1341 CE MET A 84 5.948 2.546 7.623 1.00 0.00 C ATOM 0 H MET A 84 0.946 4.285 7.375 1.00 0.00 H new ATOM 0 HA MET A 84 0.987 1.625 6.493 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.556 3.438 8.138 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.370 1.912 8.977 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.913 0.912 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.668 2.478 6.322 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.554 2.746 8.507 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.599 2.291 6.787 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.367 3.433 7.373 1.00 0.00 H new ATOM 1351 N SER A 85 -0.393 2.287 9.448 1.00 0.00 N ATOM 1352 CA SER A 85 -1.349 1.817 10.446 1.00 0.00 C ATOM 1353 C SER A 85 -2.793 1.878 9.961 1.00 0.00 C ATOM 1354 O SER A 85 -3.728 1.652 10.727 1.00 0.00 O ATOM 1355 CB SER A 85 -1.224 2.612 11.740 1.00 0.00 C ATOM 1356 OG SER A 85 -1.194 1.674 12.801 1.00 0.00 O ATOM 0 H SER A 85 -0.064 3.237 9.617 1.00 0.00 H new ATOM 0 HA SER A 85 -1.100 0.771 10.627 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.318 3.217 11.735 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.064 3.297 11.854 1.00 0.00 H new ATOM 0 HG SER A 85 -1.112 2.148 13.655 1.00 0.00 H new ATOM 1362 N MET A 86 -2.989 2.114 8.667 1.00 0.00 N ATOM 1363 CA MET A 86 -4.289 2.135 8.017 1.00 0.00 C ATOM 1364 C MET A 86 -4.417 1.056 6.943 1.00 0.00 C ATOM 1365 O MET A 86 -5.351 0.255 6.944 1.00 0.00 O ATOM 1366 CB MET A 86 -4.501 3.521 7.426 1.00 0.00 C ATOM 1367 CG MET A 86 -4.922 4.540 8.477 1.00 0.00 C ATOM 1368 SD MET A 86 -6.513 4.095 9.212 1.00 0.00 S ATOM 1369 CE MET A 86 -6.609 5.338 10.509 1.00 0.00 C ATOM 0 H MET A 86 -2.220 2.302 8.024 1.00 0.00 H new ATOM 0 HA MET A 86 -5.059 1.917 8.756 1.00 0.00 H new ATOM 0 HB2 MET A 86 -3.580 3.855 6.948 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.263 3.469 6.648 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.162 4.599 9.256 1.00 0.00 H new ATOM 0 HG3 MET A 86 -4.991 5.528 8.023 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.536 5.210 11.067 1.00 0.00 H new ATOM 0 HE2 MET A 86 -5.761 5.226 11.184 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.588 6.332 10.062 1.00 0.00 H new ATOM 1379 N ALA A 87 -3.397 0.925 6.103 1.00 0.00 N ATOM 1380 CA ALA A 87 -3.261 -0.110 5.097 1.00 0.00 C ATOM 1381 C ALA A 87 -2.697 -1.403 5.696 1.00 0.00 C ATOM 1382 O ALA A 87 -2.187 -2.262 4.988 1.00 0.00 O ATOM 1383 CB ALA A 87 -2.392 0.419 3.965 1.00 0.00 C ATOM 0 H ALA A 87 -2.607 1.571 6.109 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.244 -0.363 4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.282 -0.350 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.861 1.300 3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.410 0.687 4.355 1.00 0.00 H new ATOM 1389 N HIS A 88 -2.809 -1.569 7.012 1.00 0.00 N ATOM 1390 CA HIS A 88 -2.466 -2.811 7.701 1.00 0.00 C ATOM 1391 C HIS A 88 -3.698 -3.601 8.103 1.00 0.00 C ATOM 1392 O HIS A 88 -3.599 -4.793 8.309 1.00 0.00 O ATOM 1393 CB HIS A 88 -1.610 -2.512 8.932 1.00 0.00 C ATOM 1394 CG HIS A 88 -2.374 -2.064 10.165 1.00 0.00 C ATOM 1395 ND1 HIS A 88 -2.179 -2.574 11.435 1.00 0.00 N ATOM 1396 CD2 HIS A 88 -3.349 -1.109 10.239 1.00 0.00 C ATOM 1397 CE1 HIS A 88 -3.011 -1.919 12.269 1.00 0.00 C ATOM 1398 NE2 HIS A 88 -3.729 -1.027 11.558 1.00 0.00 N ATOM 0 H HIS A 88 -3.144 -0.836 7.637 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.898 -3.424 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.041 -3.407 9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.888 -1.738 8.672 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -3.745 -0.529 9.418 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.090 -2.082 13.334 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -4.436 -0.396 11.935 1.00 0.00 H new ATOM 1407 N ASN A 89 -4.849 -2.947 8.238 1.00 0.00 N ATOM 1408 CA ASN A 89 -6.136 -3.582 8.522 1.00 0.00 C ATOM 1409 C ASN A 89 -7.050 -3.548 7.315 1.00 0.00 C ATOM 1410 O ASN A 89 -7.836 -4.460 7.161 1.00 0.00 O ATOM 1411 CB ASN A 89 -6.829 -2.887 9.691 1.00 0.00 C ATOM 1412 CG ASN A 89 -6.411 -3.500 11.010 1.00 0.00 C ATOM 1413 OD1 ASN A 89 -7.186 -3.854 11.864 1.00 0.00 O ATOM 1414 ND2 ASN A 89 -5.126 -3.611 11.218 1.00 0.00 N ATOM 0 H ASN A 89 -4.915 -1.933 8.151 1.00 0.00 H new ATOM 0 HA ASN A 89 -5.933 -4.622 8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.583 -1.825 9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.910 -2.965 9.576 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -4.783 -3.995 12.098 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.466 -3.313 10.500 1.00 0.00 H new ATOM 1421 N LEU A 90 -6.860 -2.595 6.406 1.00 0.00 N ATOM 1422 CA LEU A 90 -7.584 -2.545 5.139 1.00 0.00 C ATOM 1423 C LEU A 90 -7.364 -3.810 4.303 1.00 0.00 C ATOM 1424 O LEU A 90 -8.336 -4.383 3.827 1.00 0.00 O ATOM 1425 CB LEU A 90 -7.147 -1.291 4.361 1.00 0.00 C ATOM 1426 CG LEU A 90 -7.946 -0.045 4.744 1.00 0.00 C ATOM 1427 CD1 LEU A 90 -7.241 1.184 4.182 1.00 0.00 C ATOM 1428 CD2 LEU A 90 -9.371 -0.140 4.198 1.00 0.00 C ATOM 0 H LEU A 90 -6.195 -1.831 6.529 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.652 -2.493 5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.088 -1.107 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.260 -1.475 3.293 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.005 0.034 5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.802 2.079 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.235 1.249 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.180 1.104 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.928 0.754 4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.340 -0.222 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.862 -1.019 4.614 1.00 0.00 H new ATOM 1440 N PRO A 91 -6.111 -4.248 4.088 1.00 0.00 N ATOM 1441 CA PRO A 91 -5.853 -5.468 3.364 1.00 0.00 C ATOM 1442 C PRO A 91 -6.114 -6.706 4.201 1.00 0.00 C ATOM 1443 O PRO A 91 -6.550 -7.728 3.688 1.00 0.00 O ATOM 1444 CB PRO A 91 -4.393 -5.407 2.957 1.00 0.00 C ATOM 1445 CG PRO A 91 -3.741 -4.416 3.908 1.00 0.00 C ATOM 1446 CD PRO A 91 -4.870 -3.663 4.563 1.00 0.00 C ATOM 0 HA PRO A 91 -6.521 -5.545 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.924 -6.388 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.289 -5.083 1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.133 -4.931 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.079 -3.737 3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.802 -3.735 5.648 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.823 -2.604 4.311 1.00 0.00 H new ATOM 1454 N ILE A 92 -5.831 -6.652 5.498 1.00 0.00 N ATOM 1455 CA ILE A 92 -6.152 -7.767 6.397 1.00 0.00 C ATOM 1456 C ILE A 92 -7.641 -8.067 6.411 1.00 0.00 C ATOM 1457 O ILE A 92 -7.985 -9.241 6.329 1.00 0.00 O ATOM 1458 CB ILE A 92 -5.660 -7.479 7.828 1.00 0.00 C ATOM 1459 CG1 ILE A 92 -4.157 -7.806 7.907 1.00 0.00 C ATOM 1460 CG2 ILE A 92 -6.514 -8.183 8.905 1.00 0.00 C ATOM 1461 CD1 ILE A 92 -3.666 -8.262 9.278 1.00 0.00 C ATOM 0 H ILE A 92 -5.383 -5.856 5.953 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.633 -8.646 6.015 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.788 -6.420 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.932 -8.586 7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.592 -6.922 7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.122 -7.945 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.546 -7.841 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.478 -9.261 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.597 -8.468 9.231 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.853 -7.477 10.011 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.197 -9.167 9.572 1.00 0.00 H new ATOM 1473 N GLU A 93 -8.488 -7.048 6.503 1.00 0.00 N ATOM 1474 CA GLU A 93 -9.947 -7.189 6.490 1.00 0.00 C ATOM 1475 C GLU A 93 -10.465 -7.742 5.167 1.00 0.00 C ATOM 1476 O GLU A 93 -11.548 -8.312 5.099 1.00 0.00 O ATOM 1477 CB GLU A 93 -10.620 -5.833 6.743 1.00 0.00 C ATOM 1478 CG GLU A 93 -10.807 -5.549 8.244 1.00 0.00 C ATOM 1479 CD GLU A 93 -12.267 -5.199 8.556 1.00 0.00 C ATOM 1480 OE1 GLU A 93 -12.753 -4.194 7.996 1.00 0.00 O ATOM 1481 OE2 GLU A 93 -12.872 -5.935 9.373 1.00 0.00 O ATOM 0 H GLU A 93 -8.178 -6.080 6.591 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.195 -7.894 7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.018 -5.041 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.591 -5.813 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.506 -6.422 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.159 -4.726 8.546 1.00 0.00 H new ATOM 1488 N CYS A 94 -9.658 -7.641 4.117 1.00 0.00 N ATOM 1489 CA CYS A 94 -9.929 -8.275 2.843 1.00 0.00 C ATOM 1490 C CYS A 94 -9.320 -9.686 2.749 1.00 0.00 C ATOM 1491 O CYS A 94 -9.387 -10.307 1.693 1.00 0.00 O ATOM 1492 CB CYS A 94 -9.416 -7.348 1.740 1.00 0.00 C ATOM 1493 SG CYS A 94 -10.578 -6.100 1.121 1.00 0.00 S ATOM 0 H CYS A 94 -8.788 -7.109 4.132 1.00 0.00 H new ATOM 0 HA CYS A 94 -11.003 -8.424 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.530 -6.833 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -9.097 -7.963 0.899 1.00 0.00 H new ATOM 1498 N ASN A 95 -8.720 -10.189 3.839 1.00 0.00 N ATOM 1499 CA ASN A 95 -8.017 -11.469 3.916 1.00 0.00 C ATOM 1500 C ASN A 95 -6.792 -11.506 2.993 1.00 0.00 C ATOM 1501 O ASN A 95 -6.378 -12.557 2.498 1.00 0.00 O ATOM 1502 CB ASN A 95 -9.016 -12.602 3.630 1.00 0.00 C ATOM 1503 CG ASN A 95 -8.644 -13.910 4.329 1.00 0.00 C ATOM 1504 OD1 ASN A 95 -9.441 -14.492 5.044 1.00 0.00 O ATOM 1505 ND2 ASN A 95 -7.435 -14.390 4.122 1.00 0.00 N ATOM 0 H ASN A 95 -8.714 -9.689 4.728 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.620 -11.606 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.011 -12.293 3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.068 -12.772 2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.151 -15.264 4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.783 -13.887 3.520 1.00 0.00 H new ATOM 1512 N LEU A 96 -6.218 -10.341 2.734 1.00 0.00 N ATOM 1513 CA LEU A 96 -5.119 -10.248 1.803 1.00 0.00 C ATOM 1514 C LEU A 96 -3.883 -10.632 2.572 1.00 0.00 C ATOM 1515 O LEU A 96 -3.302 -11.685 2.355 1.00 0.00 O ATOM 1516 CB LEU A 96 -5.074 -8.869 1.136 1.00 0.00 C ATOM 1517 CG LEU A 96 -6.471 -8.426 0.688 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -6.361 -7.005 0.220 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -7.088 -9.275 -0.419 1.00 0.00 C ATOM 0 H LEU A 96 -6.497 -9.455 3.156 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.223 -10.929 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.663 -8.138 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.406 -8.900 0.276 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.137 -8.543 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.339 -6.653 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.006 -6.379 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.658 -6.949 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.075 -8.886 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.450 -9.241 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.181 -10.306 -0.078 1.00 0.00 H new ATOM 1531 N MET A 97 -3.573 -9.812 3.568 1.00 0.00 N ATOM 1532 CA MET A 97 -2.404 -9.965 4.414 1.00 0.00 C ATOM 1533 C MET A 97 -2.738 -10.307 5.852 1.00 0.00 C ATOM 1534 O MET A 97 -1.894 -10.110 6.720 1.00 0.00 O ATOM 1535 CB MET A 97 -1.531 -8.719 4.326 1.00 0.00 C ATOM 1536 CG MET A 97 -2.145 -7.502 5.006 1.00 0.00 C ATOM 1537 SD MET A 97 -1.192 -6.862 6.404 1.00 0.00 S ATOM 1538 CE MET A 97 0.373 -6.536 5.572 1.00 0.00 C ATOM 0 H MET A 97 -4.144 -9.003 3.813 1.00 0.00 H new ATOM 0 HA MET A 97 -1.847 -10.822 4.035 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.563 -8.930 4.780 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.347 -8.486 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.260 -6.709 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 97 -3.145 -7.762 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 97 0.886 -5.713 6.070 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.998 -7.428 5.609 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.184 -6.269 4.532 1.00 0.00 H new ATOM 1548 N SER A 98 -3.940 -10.848 6.092 1.00 0.00 N ATOM 1549 CA SER A 98 -4.461 -11.180 7.431 1.00 0.00 C ATOM 1550 C SER A 98 -3.378 -11.728 8.365 1.00 0.00 C ATOM 1551 O SER A 98 -2.930 -11.062 9.292 1.00 0.00 O ATOM 1552 CB SER A 98 -5.612 -12.186 7.329 1.00 0.00 C ATOM 1553 OG SER A 98 -6.886 -11.566 7.405 1.00 0.00 O ATOM 0 H SER A 98 -4.596 -11.074 5.344 1.00 0.00 H new ATOM 0 HA SER A 98 -4.826 -10.248 7.862 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.532 -12.730 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.521 -12.920 8.130 1.00 0.00 H new ATOM 0 HG SER A 98 -6.885 -10.748 6.865 1.00 0.00 H new ATOM 1559 N GLN A 99 -2.906 -12.930 8.062 1.00 0.00 N ATOM 1560 CA GLN A 99 -1.741 -13.467 8.733 1.00 0.00 C ATOM 1561 C GLN A 99 -1.039 -14.534 7.890 1.00 0.00 C ATOM 1562 O GLN A 99 -0.798 -15.634 8.369 1.00 0.00 O ATOM 1563 CB GLN A 99 -2.224 -13.922 10.128 1.00 0.00 C ATOM 1564 CG GLN A 99 -1.238 -13.495 11.213 1.00 0.00 C ATOM 1565 CD GLN A 99 -1.917 -13.177 12.534 1.00 0.00 C ATOM 1566 OE1 GLN A 99 -3.007 -13.611 12.862 1.00 0.00 O ATOM 1567 NE2 GLN A 99 -1.259 -12.403 13.361 1.00 0.00 N ATOM 0 H GLN A 99 -3.313 -13.546 7.358 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.954 -12.725 8.866 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.205 -13.495 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.339 -15.006 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.508 -14.290 11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.687 -12.618 10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -0.346 -12.034 13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.660 -12.169 14.269 1.00 0.00 H new ATOM 1576 N PRO A 100 -0.719 -14.225 6.615 1.00 0.00 N ATOM 1577 CA PRO A 100 -0.110 -15.189 5.726 1.00 0.00 C ATOM 1578 C PRO A 100 1.352 -15.395 6.086 1.00 0.00 C ATOM 1579 O PRO A 100 1.775 -16.461 6.520 1.00 0.00 O ATOM 1580 CB PRO A 100 -0.287 -14.637 4.314 1.00 0.00 C ATOM 1581 CG PRO A 100 -0.533 -13.146 4.484 1.00 0.00 C ATOM 1582 CD PRO A 100 -0.872 -12.939 5.952 1.00 0.00 C ATOM 0 HA PRO A 100 -0.577 -16.171 5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.600 -14.821 3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.125 -15.117 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 100 0.349 -12.571 4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.349 -12.810 3.844 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.212 -12.195 6.398 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.891 -12.568 6.063 1.00 0.00 H new ATOM 1590 N CYS A 101 2.163 -14.359 5.899 1.00 0.00 N ATOM 1591 CA CYS A 101 3.578 -14.414 6.220 1.00 0.00 C ATOM 1592 C CYS A 101 3.758 -14.324 7.741 1.00 0.00 C ATOM 1593 O CYS A 101 3.312 -13.352 8.351 1.00 0.00 O ATOM 1594 CB CYS A 101 4.335 -13.277 5.519 1.00 0.00 C ATOM 1595 SG CYS A 101 3.684 -12.702 3.921 1.00 0.00 S ATOM 0 H CYS A 101 1.856 -13.462 5.522 1.00 0.00 H new ATOM 0 HA CYS A 101 3.989 -15.359 5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 101 4.366 -12.424 6.197 1.00 0.00 H new ATOM 0 HB3 CYS A 101 5.365 -13.601 5.367 1.00 0.00 H new ATOM 1600 N GLN A 102 4.417 -15.321 8.331 1.00 0.00 N ATOM 1601 CA GLN A 102 4.655 -15.410 9.769 1.00 0.00 C ATOM 1602 C GLN A 102 6.156 -15.502 10.034 1.00 0.00 C ATOM 1603 O GLN A 102 6.958 -15.425 9.103 1.00 0.00 O ATOM 1604 CB GLN A 102 3.876 -16.605 10.336 1.00 0.00 C ATOM 1605 CG GLN A 102 2.356 -16.466 10.130 1.00 0.00 C ATOM 1606 CD GLN A 102 1.670 -16.136 11.443 1.00 0.00 C ATOM 1607 OE1 GLN A 102 1.680 -15.014 11.916 1.00 0.00 O ATOM 1608 NE2 GLN A 102 1.091 -17.126 12.085 1.00 0.00 N ATOM 0 H GLN A 102 4.808 -16.106 7.810 1.00 0.00 H new ATOM 0 HA GLN A 102 4.295 -14.515 10.277 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.222 -17.521 9.858 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.088 -16.701 11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.152 -15.683 9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.952 -17.393 9.725 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.087 -18.063 11.681 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.645 -16.958 12.987 1.00 0.00 H new ATOM 1617 N MET A 103 6.510 -15.637 11.311 1.00 0.00 N ATOM 1618 CA MET A 103 7.881 -15.758 11.774 1.00 0.00 C ATOM 1619 C MET A 103 7.964 -16.672 12.993 1.00 0.00 C ATOM 1620 O MET A 103 9.116 -16.931 13.423 1.00 0.00 O ATOM 1621 CB MET A 103 8.427 -14.362 12.082 1.00 0.00 C ATOM 1622 CG MET A 103 9.799 -14.162 11.451 1.00 0.00 C ATOM 1623 SD MET A 103 10.841 -13.001 12.366 1.00 0.00 S ATOM 1624 CE MET A 103 11.857 -14.217 13.243 1.00 0.00 C ATOM 1625 OXT MET A 103 6.925 -17.096 13.495 1.00 0.00 O ATOM 0 H MET A 103 5.828 -15.665 12.069 1.00 0.00 H new ATOM 0 HA MET A 103 8.491 -16.212 10.994 1.00 0.00 H new ATOM 0 HB2 MET A 103 7.737 -13.607 11.707 1.00 0.00 H new ATOM 0 HB3 MET A 103 8.495 -14.224 13.161 1.00 0.00 H new ATOM 0 HG2 MET A 103 10.307 -15.124 11.388 1.00 0.00 H new ATOM 0 HG3 MET A 103 9.673 -13.801 10.430 1.00 0.00 H new ATOM 0 HE1 MET A 103 12.579 -13.700 13.875 1.00 0.00 H new ATOM 0 HE2 MET A 103 11.218 -14.846 13.862 1.00 0.00 H new ATOM 0 HE3 MET A 103 12.387 -14.838 12.520 1.00 0.00 H new TER 1635 MET A 103