USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 607 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 74 CYS SG : rot 157:sc= 1.24 USER MOD Set 1.2: A 77 CYS SG : rot -43:sc= 0.215 USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.199 K(o=1.3,f=-0.11) USER MOD Set 1.4: A 94 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 95 HIS : no HE2:sc= -0.337 X(o=1.3,f=1.3) USER MOD Set 2.1: A 83 LYS NZ :NH3+ 147:sc= 0.153 (180deg=0) USER MOD Set 2.2: A 86 SER OG : rot -140:sc= 0.0322 USER MOD Set 3.1: A 44 CYS SG : rot 165:sc= 0.691 USER MOD Set 3.2: A 47 CYS SG : rot -82:sc= -0.16! USER MOD Set 3.3: A 60 HIS : no HE2:sc= -0.0191 X(o=-0.26,f=-0.24) USER MOD Set 3.4: A 64 HIS : no HE2:sc= -0.775 X(o=-0.26,f=-0.1) USER MOD Set 4.1: A 16 CYS SG : rot -171:sc= 0.291 USER MOD Set 4.2: A 19 CYS SG : rot 53:sc= 0.19 USER MOD Set 4.3: A 32 HIS : no HE2:sc= 0.156 K(o=0.021,f=-1) USER MOD Set 4.4: A 36 HIS :FLIP no HD1:sc= -0.616 F(o=-1.5!,f=0.021) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -32:sc= 0.957 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 28 ASN : amide:sc= -0.625 K(o=-0.62,f=-1.2) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 40 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.303) USER MOD Single : A 43 GLN : amide:sc= -1.77 X(o=-1.8,f=-1.4) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 128:sc= -1.67! USER MOD Single : A 53 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.42) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -86:sc= 1.2 USER MOD Single : A 58 ASN : amide:sc= -0.0325 X(o=-0.033,f=0) USER MOD Single : A 61 MET CE :methyl -157:sc= -0.209 (180deg=-0.822) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0505) USER MOD Single : A 73 SER OG : rot -23:sc= 0.0863 USER MOD Single : A 75 ASN : amide:sc= -0.148 K(o=-0.15,f=-3!) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0391) USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.0486 (180deg=-0.369) USER MOD Single : A 84 LYS NZ :NH3+ -136:sc= -0.205 (180deg=-1.86!) USER MOD Single : A 91 LYS NZ :NH3+ -139:sc= -0.665 (180deg=-2.8!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 13.953 -12.572 15.434 1.00 0.00 N ATOM 37 CA ARG A 12 13.195 -12.503 14.174 1.00 0.00 C ATOM 38 C ARG A 12 13.132 -11.022 13.738 1.00 0.00 C ATOM 39 O ARG A 12 12.149 -10.553 13.163 1.00 0.00 O ATOM 40 CB ARG A 12 11.769 -13.100 14.374 1.00 0.00 C ATOM 41 CG ARG A 12 10.887 -12.347 15.405 1.00 0.00 C ATOM 42 CD ARG A 12 9.465 -12.924 15.509 1.00 0.00 C ATOM 43 NE ARG A 12 8.602 -12.070 16.341 1.00 0.00 N ATOM 44 CZ ARG A 12 7.392 -11.611 15.986 1.00 0.00 C ATOM 45 NH1 ARG A 12 6.827 -11.975 14.842 1.00 0.00 N ATOM 46 NH2 ARG A 12 6.738 -10.811 16.804 1.00 0.00 N ATOM 0 HA ARG A 12 13.684 -13.089 13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.255 -13.106 13.413 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.866 -14.139 14.690 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.364 -12.390 16.384 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.828 -11.295 15.126 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.035 -13.018 14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.507 -13.927 15.934 1.00 0.00 H new ATOM 0 HE ARG A 12 8.952 -11.806 17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.313 -12.615 14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.906 -11.615 14.591 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.152 -10.546 17.698 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.818 -10.457 16.543 1.00 0.00 H new ATOM 60 N ASP A 13 14.241 -10.312 13.982 1.00 0.00 N ATOM 61 CA ASP A 13 14.324 -8.856 13.862 1.00 0.00 C ATOM 62 C ASP A 13 15.127 -8.534 12.607 1.00 0.00 C ATOM 63 O ASP A 13 16.338 -8.296 12.657 1.00 0.00 O ATOM 64 CB ASP A 13 15.000 -8.230 15.108 1.00 0.00 C ATOM 65 CG ASP A 13 14.325 -8.576 16.449 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.297 -9.766 16.827 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.860 -7.664 17.161 1.00 0.00 O ATOM 0 H ASP A 13 15.119 -10.743 14.273 1.00 0.00 H new ATOM 0 HA ASP A 13 13.321 -8.436 13.793 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.039 -8.558 15.144 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.012 -7.146 14.992 1.00 0.00 H new ATOM 72 N TYR A 14 14.447 -8.595 11.480 1.00 0.00 N ATOM 73 CA TYR A 14 15.029 -8.313 10.161 1.00 0.00 C ATOM 74 C TYR A 14 15.049 -6.797 9.943 1.00 0.00 C ATOM 75 O TYR A 14 14.008 -6.174 9.707 1.00 0.00 O ATOM 76 CB TYR A 14 14.234 -9.060 9.065 1.00 0.00 C ATOM 77 CG TYR A 14 14.425 -10.585 9.138 1.00 0.00 C ATOM 78 CD1 TYR A 14 13.644 -11.384 9.977 1.00 0.00 C ATOM 79 CD2 TYR A 14 15.420 -11.212 8.393 1.00 0.00 C ATOM 80 CE1 TYR A 14 13.844 -12.753 10.051 1.00 0.00 C ATOM 81 CE2 TYR A 14 15.624 -12.571 8.468 1.00 0.00 C ATOM 82 CZ TYR A 14 14.836 -13.339 9.293 1.00 0.00 C ATOM 83 OH TYR A 14 15.054 -14.697 9.355 1.00 0.00 O ATOM 0 H TYR A 14 13.459 -8.845 11.442 1.00 0.00 H new ATOM 0 HA TYR A 14 16.056 -8.673 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.174 -8.824 9.164 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.550 -8.704 8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.872 -10.927 10.578 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.045 -10.619 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.227 -13.358 10.699 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.402 -13.034 7.879 1.00 0.00 H new ATOM 0 HH TYR A 14 15.790 -14.938 8.755 1.00 0.00 H new ATOM 93 N ILE A 15 16.254 -6.216 10.078 1.00 0.00 N ATOM 94 CA ILE A 15 16.475 -4.762 10.100 1.00 0.00 C ATOM 95 C ILE A 15 17.274 -4.333 8.840 1.00 0.00 C ATOM 96 O ILE A 15 17.983 -5.139 8.228 1.00 0.00 O ATOM 97 CB ILE A 15 17.227 -4.327 11.431 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.569 -4.951 12.698 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.309 -2.790 11.580 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.144 -4.521 12.943 1.00 0.00 C ATOM 0 H ILE A 15 17.115 -6.754 10.176 1.00 0.00 H new ATOM 0 HA ILE A 15 15.509 -4.256 10.088 1.00 0.00 H new ATOM 0 HB ILE A 15 18.243 -4.713 11.344 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.596 -6.037 12.608 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.169 -4.688 13.569 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.831 -2.541 12.504 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.851 -2.371 10.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.302 -2.373 11.609 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.768 -5.004 13.845 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.107 -3.439 13.069 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.526 -4.809 12.093 1.00 0.00 H new ATOM 112 N CYS A 16 17.149 -3.047 8.485 1.00 0.00 N ATOM 113 CA CYS A 16 17.701 -2.446 7.260 1.00 0.00 C ATOM 114 C CYS A 16 18.685 -1.325 7.674 1.00 0.00 C ATOM 115 O CYS A 16 18.842 -0.317 6.982 1.00 0.00 O ATOM 116 CB CYS A 16 16.514 -1.912 6.427 1.00 0.00 C ATOM 117 SG CYS A 16 16.877 -1.526 4.710 1.00 0.00 S ATOM 0 H CYS A 16 16.644 -2.373 9.061 1.00 0.00 H new ATOM 0 HA CYS A 16 18.252 -3.164 6.652 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.714 -2.652 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.131 -1.013 6.909 1.00 0.00 H new ATOM 0 HG CYS A 16 15.858 -0.920 4.177 1.00 0.00 H new ATOM 122 N GLU A 17 19.404 -1.623 8.781 1.00 0.00 N ATOM 123 CA GLU A 17 20.334 -0.726 9.543 1.00 0.00 C ATOM 124 C GLU A 17 19.768 0.658 10.012 1.00 0.00 C ATOM 125 O GLU A 17 20.073 1.104 11.122 1.00 0.00 O ATOM 126 CB GLU A 17 21.648 -0.539 8.735 1.00 0.00 C ATOM 127 CG GLU A 17 22.825 0.051 9.540 1.00 0.00 C ATOM 128 CD GLU A 17 24.165 -0.007 8.791 1.00 0.00 C ATOM 129 OE1 GLU A 17 24.792 -1.088 8.777 1.00 0.00 O ATOM 130 OE2 GLU A 17 24.588 1.004 8.193 1.00 0.00 O ATOM 0 H GLU A 17 19.354 -2.551 9.200 1.00 0.00 H new ATOM 0 HA GLU A 17 20.509 -1.249 10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.950 -1.505 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.445 0.112 7.885 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.601 1.088 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.919 -0.490 10.481 1.00 0.00 H new ATOM 137 N TYR A 18 18.930 1.312 9.196 1.00 0.00 N ATOM 138 CA TYR A 18 18.538 2.720 9.378 1.00 0.00 C ATOM 139 C TYR A 18 17.022 2.884 9.216 1.00 0.00 C ATOM 140 O TYR A 18 16.348 3.482 10.050 1.00 0.00 O ATOM 141 CB TYR A 18 19.281 3.617 8.361 1.00 0.00 C ATOM 142 CG TYR A 18 19.207 5.105 8.715 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.460 5.535 10.024 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.870 6.076 7.773 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.382 6.858 10.374 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.791 7.412 8.119 1.00 0.00 C ATOM 147 CZ TYR A 18 19.048 7.801 9.419 1.00 0.00 C ATOM 148 OH TYR A 18 18.967 9.134 9.765 1.00 0.00 O ATOM 0 H TYR A 18 18.499 0.875 8.381 1.00 0.00 H new ATOM 0 HA TYR A 18 18.813 3.026 10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.326 3.312 8.311 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.856 3.463 7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.723 4.806 10.776 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.667 5.779 6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.580 7.163 11.391 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.529 8.150 7.375 1.00 0.00 H new ATOM 0 HH TYR A 18 18.723 9.662 8.977 1.00 0.00 H new ATOM 158 N CYS A 19 16.504 2.310 8.128 1.00 0.00 N ATOM 159 CA CYS A 19 15.118 2.557 7.647 1.00 0.00 C ATOM 160 C CYS A 19 14.218 1.314 7.747 1.00 0.00 C ATOM 161 O CYS A 19 13.278 1.156 6.957 1.00 0.00 O ATOM 162 CB CYS A 19 15.199 3.097 6.200 1.00 0.00 C ATOM 163 SG CYS A 19 16.462 2.268 5.200 1.00 0.00 S ATOM 0 H CYS A 19 17.026 1.656 7.545 1.00 0.00 H new ATOM 0 HA CYS A 19 14.646 3.296 8.294 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.228 2.978 5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.411 4.166 6.229 1.00 0.00 H new ATOM 0 HG CYS A 19 16.283 0.982 5.254 1.00 0.00 H new ATOM 168 N ALA A 20 14.485 0.434 8.732 1.00 0.00 N ATOM 169 CA ALA A 20 13.549 -0.641 9.095 1.00 0.00 C ATOM 170 C ALA A 20 12.967 -0.440 10.499 1.00 0.00 C ATOM 171 O ALA A 20 13.642 0.032 11.427 1.00 0.00 O ATOM 172 CB ALA A 20 14.192 -2.021 9.025 1.00 0.00 C ATOM 0 H ALA A 20 15.340 0.449 9.288 1.00 0.00 H new ATOM 0 HA ALA A 20 12.747 -0.590 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.459 -2.778 9.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.541 -2.209 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.036 -2.064 9.713 1.00 0.00 H new ATOM 178 N ARG A 21 11.690 -0.784 10.593 1.00 0.00 N ATOM 179 CA ARG A 21 10.968 -0.999 11.848 1.00 0.00 C ATOM 180 C ARG A 21 11.462 -2.337 12.469 1.00 0.00 C ATOM 181 O ARG A 21 12.627 -2.425 12.862 1.00 0.00 O ATOM 182 CB ARG A 21 9.432 -0.939 11.546 1.00 0.00 C ATOM 183 CG ARG A 21 8.950 -1.847 10.377 1.00 0.00 C ATOM 184 CD ARG A 21 7.466 -1.651 10.030 1.00 0.00 C ATOM 185 NE ARG A 21 7.188 -0.293 9.525 1.00 0.00 N ATOM 186 CZ ARG A 21 6.066 0.410 9.734 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.103 -0.046 10.532 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.924 1.590 9.162 1.00 0.00 N ATOM 0 H ARG A 21 11.104 -0.927 9.771 1.00 0.00 H new ATOM 0 HA ARG A 21 11.162 -0.227 12.593 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.889 -1.218 12.449 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.163 0.092 11.318 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.553 -1.641 9.493 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.120 -2.890 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.170 -2.384 9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.859 -1.839 10.916 1.00 0.00 H new ATOM 0 HE ARG A 21 7.916 0.152 8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.211 -0.947 10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.257 0.505 10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.665 1.960 8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.074 2.132 9.315 1.00 0.00 H new ATOM 202 N ALA A 22 10.601 -3.356 12.573 1.00 0.00 N ATOM 203 CA ALA A 22 11.020 -4.748 12.765 1.00 0.00 C ATOM 204 C ALA A 22 10.156 -5.612 11.850 1.00 0.00 C ATOM 205 O ALA A 22 8.928 -5.520 11.895 1.00 0.00 O ATOM 206 CB ALA A 22 10.873 -5.166 14.239 1.00 0.00 C ATOM 0 H ALA A 22 9.589 -3.237 12.526 1.00 0.00 H new ATOM 0 HA ALA A 22 12.073 -4.872 12.512 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.190 -6.202 14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.494 -4.524 14.863 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.831 -5.069 14.543 1.00 0.00 H new ATOM 212 N PHE A 23 10.798 -6.402 10.989 1.00 0.00 N ATOM 213 CA PHE A 23 10.116 -7.338 10.084 1.00 0.00 C ATOM 214 C PHE A 23 10.401 -8.750 10.586 1.00 0.00 C ATOM 215 O PHE A 23 11.536 -9.044 10.947 1.00 0.00 O ATOM 216 CB PHE A 23 10.638 -7.170 8.645 1.00 0.00 C ATOM 217 CG PHE A 23 10.460 -5.764 8.058 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.223 -5.339 7.569 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.533 -4.879 7.969 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.071 -4.082 7.009 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.377 -3.628 7.412 1.00 0.00 C ATOM 222 CZ PHE A 23 10.148 -3.229 6.930 1.00 0.00 C ATOM 0 H PHE A 23 11.814 -6.413 10.896 1.00 0.00 H new ATOM 0 HA PHE A 23 9.044 -7.143 10.073 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.697 -7.426 8.625 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.126 -7.885 8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.372 -6.001 7.629 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.501 -5.178 8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.107 -3.771 6.634 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.221 -2.957 7.353 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.031 -2.249 6.491 1.00 0.00 H new ATOM 232 N LYS A 24 9.383 -9.624 10.616 1.00 0.00 N ATOM 233 CA LYS A 24 9.536 -10.982 11.181 1.00 0.00 C ATOM 234 C LYS A 24 10.027 -11.990 10.128 1.00 0.00 C ATOM 235 O LYS A 24 10.210 -13.173 10.449 1.00 0.00 O ATOM 236 CB LYS A 24 8.206 -11.468 11.823 1.00 0.00 C ATOM 237 CG LYS A 24 7.054 -11.761 10.832 1.00 0.00 C ATOM 238 CD LYS A 24 5.789 -12.307 11.536 1.00 0.00 C ATOM 239 CE LYS A 24 4.662 -12.675 10.557 1.00 0.00 C ATOM 240 NZ LYS A 24 3.456 -13.169 11.268 1.00 0.00 N ATOM 0 H LYS A 24 8.449 -9.421 10.259 1.00 0.00 H new ATOM 0 HA LYS A 24 10.297 -10.923 11.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.409 -12.374 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.868 -10.712 12.532 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.801 -10.847 10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.393 -12.484 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.057 -13.188 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.421 -11.560 12.239 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.400 -11.802 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.016 -13.440 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.718 -13.407 10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.701 -14.017 11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.104 -12.430 11.909 1.00 0.00 H new ATOM 254 N SER A 25 10.262 -11.533 8.881 1.00 0.00 N ATOM 255 CA SER A 25 10.591 -12.419 7.755 1.00 0.00 C ATOM 256 C SER A 25 11.575 -11.708 6.785 1.00 0.00 C ATOM 257 O SER A 25 11.480 -10.490 6.576 1.00 0.00 O ATOM 258 CB SER A 25 9.282 -12.818 7.032 1.00 0.00 C ATOM 259 OG SER A 25 9.495 -13.797 6.032 1.00 0.00 O ATOM 0 H SER A 25 10.228 -10.545 8.631 1.00 0.00 H new ATOM 0 HA SER A 25 11.081 -13.321 8.121 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.568 -13.198 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.835 -11.932 6.580 1.00 0.00 H new ATOM 0 HG SER A 25 8.642 -14.019 5.604 1.00 0.00 H new ATOM 265 N SER A 26 12.549 -12.490 6.273 1.00 0.00 N ATOM 266 CA SER A 26 13.574 -12.054 5.280 1.00 0.00 C ATOM 267 C SER A 26 12.977 -11.244 4.098 1.00 0.00 C ATOM 268 O SER A 26 13.375 -10.096 3.849 1.00 0.00 O ATOM 269 CB SER A 26 14.310 -13.305 4.734 1.00 0.00 C ATOM 270 OG SER A 26 14.785 -14.129 5.786 1.00 0.00 O ATOM 0 H SER A 26 12.654 -13.469 6.541 1.00 0.00 H new ATOM 0 HA SER A 26 14.264 -11.387 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 26 13.634 -13.878 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.147 -12.992 4.109 1.00 0.00 H new ATOM 0 HG SER A 26 15.017 -13.572 6.558 1.00 0.00 H new ATOM 276 N HIS A 27 12.009 -11.861 3.398 1.00 0.00 N ATOM 277 CA HIS A 27 11.390 -11.295 2.180 1.00 0.00 C ATOM 278 C HIS A 27 10.519 -10.067 2.500 1.00 0.00 C ATOM 279 O HIS A 27 10.407 -9.167 1.673 1.00 0.00 O ATOM 280 CB HIS A 27 10.592 -12.364 1.395 1.00 0.00 C ATOM 281 CG HIS A 27 11.471 -13.432 0.801 1.00 0.00 C ATOM 282 ND1 HIS A 27 12.407 -13.153 -0.168 1.00 0.00 N ATOM 283 CD2 HIS A 27 11.595 -14.755 1.065 1.00 0.00 C ATOM 284 CE1 HIS A 27 13.064 -14.247 -0.477 1.00 0.00 C ATOM 285 NE2 HIS A 27 12.594 -15.236 0.257 1.00 0.00 N ATOM 0 H HIS A 27 11.630 -12.771 3.660 1.00 0.00 H new ATOM 0 HA HIS A 27 12.203 -10.957 1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.864 -12.828 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.030 -11.878 0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.016 -15.324 1.778 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.855 -14.324 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.920 -16.202 0.229 1.00 0.00 H new ATOM 294 N ASN A 28 9.875 -10.076 3.684 1.00 0.00 N ATOM 295 CA ASN A 28 9.069 -8.938 4.203 1.00 0.00 C ATOM 296 C ASN A 28 9.867 -7.613 4.159 1.00 0.00 C ATOM 297 O ASN A 28 9.420 -6.610 3.592 1.00 0.00 O ATOM 298 CB ASN A 28 8.655 -9.247 5.665 1.00 0.00 C ATOM 299 CG ASN A 28 7.676 -8.244 6.308 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.640 -8.109 7.534 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.874 -7.535 5.512 1.00 0.00 N ATOM 0 H ASN A 28 9.896 -10.876 4.316 1.00 0.00 H new ATOM 0 HA ASN A 28 8.188 -8.818 3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.202 -10.238 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.556 -9.291 6.277 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.216 -6.867 5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.918 -7.661 4.501 1.00 0.00 H new ATOM 308 N LEU A 29 11.041 -7.642 4.797 1.00 0.00 N ATOM 309 CA LEU A 29 12.048 -6.568 4.723 1.00 0.00 C ATOM 310 C LEU A 29 12.508 -6.298 3.272 1.00 0.00 C ATOM 311 O LEU A 29 12.604 -5.138 2.862 1.00 0.00 O ATOM 312 CB LEU A 29 13.237 -6.941 5.658 1.00 0.00 C ATOM 313 CG LEU A 29 14.655 -6.370 5.312 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.706 -4.834 5.471 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.747 -7.061 6.154 1.00 0.00 C ATOM 0 H LEU A 29 11.327 -8.422 5.389 1.00 0.00 H new ATOM 0 HA LEU A 29 11.603 -5.633 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.983 -6.615 6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.312 -8.028 5.684 1.00 0.00 H new ATOM 0 HG LEU A 29 14.853 -6.589 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.705 -4.475 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.979 -4.375 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.471 -4.567 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.722 -6.647 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.551 -6.893 7.213 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.741 -8.132 5.949 1.00 0.00 H new ATOM 327 N ALA A 30 12.796 -7.379 2.525 1.00 0.00 N ATOM 328 CA ALA A 30 13.229 -7.306 1.102 1.00 0.00 C ATOM 329 C ALA A 30 12.221 -6.530 0.204 1.00 0.00 C ATOM 330 O ALA A 30 12.617 -5.937 -0.815 1.00 0.00 O ATOM 331 CB ALA A 30 13.490 -8.711 0.548 1.00 0.00 C ATOM 0 H ALA A 30 12.738 -8.332 2.883 1.00 0.00 H new ATOM 0 HA ALA A 30 14.160 -6.739 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.805 -8.639 -0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.274 -9.193 1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.576 -9.302 0.610 1.00 0.00 H new ATOM 337 N VAL A 31 10.927 -6.538 0.601 1.00 0.00 N ATOM 338 CA VAL A 31 9.862 -5.770 -0.081 1.00 0.00 C ATOM 339 C VAL A 31 10.120 -4.251 0.056 1.00 0.00 C ATOM 340 O VAL A 31 10.157 -3.536 -0.954 1.00 0.00 O ATOM 341 CB VAL A 31 8.430 -6.136 0.475 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.328 -5.193 -0.069 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.091 -7.607 0.151 1.00 0.00 C ATOM 0 H VAL A 31 10.594 -7.076 1.401 1.00 0.00 H new ATOM 0 HA VAL A 31 9.886 -6.041 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 31 8.459 -6.003 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.362 -5.486 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.551 -4.167 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.295 -5.262 -1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.101 -7.846 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.102 -7.753 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.830 -8.261 0.613 1.00 0.00 H new ATOM 353 N HIS A 32 10.350 -3.786 1.306 1.00 0.00 N ATOM 354 CA HIS A 32 10.709 -2.370 1.601 1.00 0.00 C ATOM 355 C HIS A 32 12.038 -2.014 0.912 1.00 0.00 C ATOM 356 O HIS A 32 12.211 -0.913 0.370 1.00 0.00 O ATOM 357 CB HIS A 32 10.806 -2.125 3.160 1.00 0.00 C ATOM 358 CG HIS A 32 11.836 -1.074 3.568 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.635 0.286 3.475 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.135 -1.232 3.953 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.791 0.898 3.777 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.742 0.027 4.070 1.00 0.00 N ATOM 0 H HIS A 32 10.294 -4.374 2.137 1.00 0.00 H new ATOM 0 HA HIS A 32 9.924 -1.723 1.210 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.827 -1.820 3.530 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.052 -3.067 3.649 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.761 0.747 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.620 -2.179 4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.928 1.969 3.780 1.00 0.00 H new ATOM 370 N ARG A 33 12.961 -2.978 0.954 1.00 0.00 N ATOM 371 CA ARG A 33 14.324 -2.845 0.434 1.00 0.00 C ATOM 372 C ARG A 33 14.363 -2.711 -1.118 1.00 0.00 C ATOM 373 O ARG A 33 15.432 -2.594 -1.671 1.00 0.00 O ATOM 374 CB ARG A 33 15.168 -4.057 0.940 1.00 0.00 C ATOM 375 CG ARG A 33 16.699 -3.850 0.930 1.00 0.00 C ATOM 376 CD ARG A 33 17.475 -5.092 1.380 1.00 0.00 C ATOM 377 NE ARG A 33 18.937 -4.891 1.274 1.00 0.00 N ATOM 378 CZ ARG A 33 19.829 -5.848 0.975 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.430 -7.066 0.638 1.00 0.00 N ATOM 380 NH2 ARG A 33 21.122 -5.564 0.998 1.00 0.00 N ATOM 0 H ARG A 33 12.777 -3.895 1.361 1.00 0.00 H new ATOM 0 HA ARG A 33 14.757 -1.918 0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.857 -4.294 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.932 -4.925 0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.016 -3.575 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.951 -3.015 1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 33 17.214 -5.330 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.180 -5.946 0.771 1.00 0.00 H new ATOM 0 HE ARG A 33 19.295 -3.951 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.434 -7.285 0.604 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.118 -7.784 0.413 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.433 -4.624 1.242 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.807 -6.285 0.772 1.00 0.00 H new ATOM 394 N MET A 34 13.176 -2.633 -1.779 1.00 0.00 N ATOM 395 CA MET A 34 13.006 -2.377 -3.254 1.00 0.00 C ATOM 396 C MET A 34 13.887 -1.218 -3.829 1.00 0.00 C ATOM 397 O MET A 34 14.069 -1.111 -5.046 1.00 0.00 O ATOM 398 CB MET A 34 11.519 -2.028 -3.534 1.00 0.00 C ATOM 399 CG MET A 34 11.044 -0.716 -2.871 1.00 0.00 C ATOM 400 SD MET A 34 9.351 -0.255 -3.303 1.00 0.00 S ATOM 401 CE MET A 34 9.152 1.245 -2.330 1.00 0.00 C ATOM 0 H MET A 34 12.284 -2.748 -1.298 1.00 0.00 H new ATOM 0 HA MET A 34 13.330 -3.292 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.371 -1.952 -4.611 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.892 -2.848 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.118 -0.819 -1.788 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.716 0.091 -3.161 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.153 1.652 -2.489 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.285 1.014 -1.273 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.896 1.979 -2.637 1.00 0.00 H new ATOM 411 N ILE A 35 14.396 -0.372 -2.927 1.00 0.00 N ATOM 412 CA ILE A 35 15.302 0.726 -3.227 1.00 0.00 C ATOM 413 C ILE A 35 16.770 0.192 -3.241 1.00 0.00 C ATOM 414 O ILE A 35 17.440 0.235 -4.277 1.00 0.00 O ATOM 415 CB ILE A 35 15.069 1.927 -2.205 1.00 0.00 C ATOM 416 CG1 ILE A 35 16.285 2.909 -2.153 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.671 1.427 -0.794 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.547 3.702 -3.432 1.00 0.00 C ATOM 0 H ILE A 35 14.176 -0.441 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 35 15.100 1.132 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 35 14.223 2.496 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.126 3.613 -1.336 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.181 2.337 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.523 2.281 -0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.746 0.854 -0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 35 15.463 0.793 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.411 4.351 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.744 3.013 -4.253 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.673 4.309 -3.669 1.00 0.00 H new ATOM 430 N HIS A 36 17.234 -0.370 -2.101 1.00 0.00 N ATOM 431 CA HIS A 36 18.669 -0.758 -1.875 1.00 0.00 C ATOM 432 C HIS A 36 18.917 -2.287 -2.031 1.00 0.00 C ATOM 433 O HIS A 36 20.007 -2.765 -1.706 1.00 0.00 O ATOM 434 CB HIS A 36 19.204 -0.240 -0.483 1.00 0.00 C ATOM 435 CG HIS A 36 18.174 0.346 0.459 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.267 -0.261 1.270 1.00 0.00 N flip ATOM 437 CD2 HIS A 36 18.036 1.691 0.686 1.00 0.00 C flip ATOM 438 CE1 HIS A 36 16.572 0.706 1.999 1.00 0.00 C flip ATOM 439 NE2 HIS A 36 17.084 1.860 1.597 1.00 0.00 N flip ATOM 0 H HIS A 36 16.632 -0.573 -1.303 1.00 0.00 H new ATOM 0 HA HIS A 36 19.238 -0.264 -2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.697 -1.070 0.024 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.966 0.517 -0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 36 18.602 2.476 0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.791 0.548 2.728 1.00 0.00 H new ATOM 0 HE2 HIS A 36 16.783 2.770 1.946 1.00 0.00 H new ATOM 447 N THR A 37 17.911 -3.030 -2.524 1.00 0.00 N ATOM 448 CA THR A 37 17.910 -4.518 -2.542 1.00 0.00 C ATOM 449 C THR A 37 19.098 -5.117 -3.316 1.00 0.00 C ATOM 450 O THR A 37 19.873 -5.915 -2.767 1.00 0.00 O ATOM 451 CB THR A 37 16.543 -5.081 -3.105 1.00 0.00 C ATOM 452 OG1 THR A 37 16.607 -6.498 -3.318 1.00 0.00 O ATOM 453 CG2 THR A 37 16.096 -4.386 -4.406 1.00 0.00 C ATOM 0 H THR A 37 17.067 -2.621 -2.925 1.00 0.00 H new ATOM 0 HA THR A 37 18.022 -4.831 -1.504 1.00 0.00 H new ATOM 0 HB THR A 37 15.799 -4.863 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.747 -6.816 -3.664 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.152 -4.816 -4.742 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.964 -3.320 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.855 -4.530 -5.175 1.00 0.00 H new ATOM 461 N GLY A 38 19.236 -4.728 -4.585 1.00 0.00 N ATOM 462 CA GLY A 38 20.176 -5.357 -5.510 1.00 0.00 C ATOM 463 C GLY A 38 19.609 -6.630 -6.149 1.00 0.00 C ATOM 464 O GLY A 38 19.924 -6.930 -7.304 1.00 0.00 O ATOM 0 H GLY A 38 18.698 -3.967 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.439 -4.647 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.096 -5.600 -4.978 1.00 0.00 H new ATOM 468 N GLU A 39 18.747 -7.375 -5.403 1.00 0.00 N ATOM 469 CA GLU A 39 18.044 -8.572 -5.912 1.00 0.00 C ATOM 470 C GLU A 39 16.936 -8.188 -6.910 1.00 0.00 C ATOM 471 O GLU A 39 16.736 -8.885 -7.909 1.00 0.00 O ATOM 472 CB GLU A 39 17.408 -9.379 -4.744 1.00 0.00 C ATOM 473 CG GLU A 39 18.392 -9.871 -3.661 1.00 0.00 C ATOM 474 CD GLU A 39 17.717 -10.826 -2.652 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.601 -12.034 -2.956 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.265 -10.372 -1.577 1.00 0.00 O ATOM 0 H GLU A 39 18.524 -7.157 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 39 18.787 -9.187 -6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.651 -8.757 -4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.893 -10.244 -5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.229 -10.381 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.803 -9.013 -3.128 1.00 0.00 H new ATOM 483 N LYS A 40 16.256 -7.056 -6.617 1.00 0.00 N ATOM 484 CA LYS A 40 15.042 -6.597 -7.314 1.00 0.00 C ATOM 485 C LYS A 40 13.833 -7.534 -7.035 1.00 0.00 C ATOM 486 O LYS A 40 13.820 -8.680 -7.504 1.00 0.00 O ATOM 487 CB LYS A 40 15.250 -6.383 -8.856 1.00 0.00 C ATOM 488 CG LYS A 40 15.988 -5.084 -9.255 1.00 0.00 C ATOM 489 CD LYS A 40 17.458 -5.021 -8.792 1.00 0.00 C ATOM 490 CE LYS A 40 18.172 -3.758 -9.294 1.00 0.00 C ATOM 491 NZ LYS A 40 19.575 -3.692 -8.829 1.00 0.00 N ATOM 0 H LYS A 40 16.547 -6.424 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 40 14.816 -5.615 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.807 -7.233 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.274 -6.389 -9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.956 -4.981 -10.340 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.451 -4.232 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.495 -5.048 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.988 -5.903 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.150 -3.738 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.634 -2.876 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.104 -3.015 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 19.598 -3.382 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.011 -4.633 -8.908 1.00 0.00 H new ATOM 505 N PRO A 41 12.791 -7.064 -6.257 1.00 0.00 N ATOM 506 CA PRO A 41 11.475 -7.742 -6.193 1.00 0.00 C ATOM 507 C PRO A 41 10.640 -7.415 -7.452 1.00 0.00 C ATOM 508 O PRO A 41 11.173 -6.924 -8.456 1.00 0.00 O ATOM 509 CB PRO A 41 10.855 -7.165 -4.895 1.00 0.00 C ATOM 510 CG PRO A 41 11.413 -5.774 -4.809 1.00 0.00 C ATOM 511 CD PRO A 41 12.819 -5.856 -5.383 1.00 0.00 C ATOM 0 HA PRO A 41 11.529 -8.830 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.766 -7.155 -4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.130 -7.759 -4.024 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.800 -5.071 -5.374 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.432 -5.423 -3.777 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.070 -4.960 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.565 -5.953 -4.595 1.00 0.00 H new ATOM 519 N LEU A 42 9.336 -7.682 -7.409 1.00 0.00 N ATOM 520 CA LEU A 42 8.433 -7.482 -8.555 1.00 0.00 C ATOM 521 C LEU A 42 7.380 -6.427 -8.198 1.00 0.00 C ATOM 522 O LEU A 42 6.427 -6.704 -7.471 1.00 0.00 O ATOM 523 CB LEU A 42 7.818 -8.848 -8.948 1.00 0.00 C ATOM 524 CG LEU A 42 8.854 -9.875 -9.530 1.00 0.00 C ATOM 525 CD1 LEU A 42 8.265 -11.284 -9.636 1.00 0.00 C ATOM 526 CD2 LEU A 42 9.398 -9.391 -10.899 1.00 0.00 C ATOM 0 H LEU A 42 8.868 -8.045 -6.578 1.00 0.00 H new ATOM 0 HA LEU A 42 8.973 -7.104 -9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.342 -9.286 -8.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.033 -8.682 -9.686 1.00 0.00 H new ATOM 0 HG LEU A 42 9.688 -9.930 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.015 -11.962 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.964 -11.628 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.396 -11.267 -10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.114 -10.118 -11.284 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.572 -9.288 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.891 -8.427 -10.774 1.00 0.00 H new ATOM 538 N GLN A 43 7.565 -5.211 -8.743 1.00 0.00 N ATOM 539 CA GLN A 43 6.820 -4.007 -8.329 1.00 0.00 C ATOM 540 C GLN A 43 6.191 -3.346 -9.580 1.00 0.00 C ATOM 541 O GLN A 43 6.805 -3.335 -10.654 1.00 0.00 O ATOM 542 CB GLN A 43 7.774 -3.051 -7.534 1.00 0.00 C ATOM 543 CG GLN A 43 7.105 -1.836 -6.824 1.00 0.00 C ATOM 544 CD GLN A 43 6.782 -0.645 -7.737 1.00 0.00 C ATOM 545 OE1 GLN A 43 7.479 -0.401 -8.717 1.00 0.00 O ATOM 546 NE2 GLN A 43 5.734 0.104 -7.417 1.00 0.00 N ATOM 0 H GLN A 43 8.240 -5.035 -9.488 1.00 0.00 H new ATOM 0 HA GLN A 43 6.001 -4.262 -7.656 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.298 -3.640 -6.781 1.00 0.00 H new ATOM 0 HB3 GLN A 43 8.528 -2.671 -8.223 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.182 -2.174 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.764 -1.494 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.175 -0.126 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.488 0.909 -7.993 1.00 0.00 H new ATOM 555 N CYS A 44 4.955 -2.831 -9.428 1.00 0.00 N ATOM 556 CA CYS A 44 4.196 -2.184 -10.523 1.00 0.00 C ATOM 557 C CYS A 44 4.818 -0.841 -10.926 1.00 0.00 C ATOM 558 O CYS A 44 4.708 0.142 -10.187 1.00 0.00 O ATOM 559 CB CYS A 44 2.725 -1.964 -10.119 1.00 0.00 C ATOM 560 SG CYS A 44 1.809 -0.758 -11.151 1.00 0.00 S ATOM 0 H CYS A 44 4.451 -2.851 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 44 4.238 -2.858 -11.379 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.206 -2.922 -10.159 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.695 -1.629 -9.082 1.00 0.00 H new ATOM 0 HG CYS A 44 0.533 -0.881 -10.933 1.00 0.00 H new ATOM 565 N GLU A 45 5.447 -0.823 -12.111 1.00 0.00 N ATOM 566 CA GLU A 45 6.072 0.372 -12.714 1.00 0.00 C ATOM 567 C GLU A 45 5.094 1.563 -12.869 1.00 0.00 C ATOM 568 O GLU A 45 5.524 2.720 -12.860 1.00 0.00 O ATOM 569 CB GLU A 45 6.666 -0.010 -14.096 1.00 0.00 C ATOM 570 CG GLU A 45 5.605 -0.389 -15.157 1.00 0.00 C ATOM 571 CD GLU A 45 6.197 -0.924 -16.467 1.00 0.00 C ATOM 572 OE1 GLU A 45 6.800 -0.131 -17.223 1.00 0.00 O ATOM 573 OE2 GLU A 45 6.054 -2.134 -16.756 1.00 0.00 O ATOM 0 H GLU A 45 5.539 -1.656 -12.693 1.00 0.00 H new ATOM 0 HA GLU A 45 6.856 0.706 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.255 0.827 -14.470 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.350 -0.849 -13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.939 -1.142 -14.737 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.996 0.488 -15.377 1.00 0.00 H new ATOM 580 N ILE A 46 3.781 1.266 -13.009 1.00 0.00 N ATOM 581 CA ILE A 46 2.755 2.292 -13.276 1.00 0.00 C ATOM 582 C ILE A 46 2.485 3.105 -12.003 1.00 0.00 C ATOM 583 O ILE A 46 2.651 4.330 -11.990 1.00 0.00 O ATOM 584 CB ILE A 46 1.406 1.665 -13.818 1.00 0.00 C ATOM 585 CG1 ILE A 46 1.656 0.749 -15.066 1.00 0.00 C ATOM 586 CG2 ILE A 46 0.368 2.772 -14.141 1.00 0.00 C ATOM 587 CD1 ILE A 46 2.265 1.439 -16.278 1.00 0.00 C ATOM 0 H ILE A 46 3.410 0.319 -12.940 1.00 0.00 H new ATOM 0 HA ILE A 46 3.143 2.947 -14.056 1.00 0.00 H new ATOM 0 HB ILE A 46 0.997 1.037 -13.027 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.312 -0.069 -14.768 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.707 0.304 -15.363 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.549 2.314 -14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.150 3.341 -13.237 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.773 3.440 -14.902 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.395 0.715 -17.082 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.603 2.238 -16.613 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.234 1.860 -16.009 1.00 0.00 H new ATOM 599 N CYS A 47 2.090 2.414 -10.920 1.00 0.00 N ATOM 600 CA CYS A 47 1.767 3.072 -9.648 1.00 0.00 C ATOM 601 C CYS A 47 2.532 2.378 -8.497 1.00 0.00 C ATOM 602 O CYS A 47 3.655 2.753 -8.166 1.00 0.00 O ATOM 603 CB CYS A 47 0.209 3.111 -9.416 1.00 0.00 C ATOM 604 SG CYS A 47 -0.643 1.517 -9.044 1.00 0.00 S ATOM 0 H CYS A 47 1.988 1.399 -10.903 1.00 0.00 H new ATOM 0 HA CYS A 47 2.094 4.111 -9.678 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.010 3.798 -8.593 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.252 3.538 -10.307 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.881 0.883 -10.154 1.00 0.00 H new ATOM 609 N GLY A 48 1.917 1.349 -7.933 1.00 0.00 N ATOM 610 CA GLY A 48 2.431 0.600 -6.806 1.00 0.00 C ATOM 611 C GLY A 48 1.853 -0.799 -6.846 1.00 0.00 C ATOM 612 O GLY A 48 0.707 -0.921 -7.299 1.00 0.00 O ATOM 0 H GLY A 48 1.015 1.004 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.520 0.560 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.163 1.093 -5.871 1.00 0.00 H new ATOM 616 N PHE A 49 2.608 -1.843 -6.417 1.00 0.00 N ATOM 617 CA PHE A 49 2.112 -3.195 -6.141 1.00 0.00 C ATOM 618 C PHE A 49 3.396 -4.002 -6.068 1.00 0.00 C ATOM 619 O PHE A 49 4.016 -4.205 -7.102 1.00 0.00 O ATOM 620 CB PHE A 49 1.191 -3.797 -7.260 1.00 0.00 C ATOM 621 CG PHE A 49 0.533 -5.132 -6.895 1.00 0.00 C ATOM 622 CD1 PHE A 49 1.270 -6.314 -6.883 1.00 0.00 C ATOM 623 CD2 PHE A 49 -0.817 -5.199 -6.561 1.00 0.00 C ATOM 624 CE1 PHE A 49 0.685 -7.513 -6.548 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.405 -6.402 -6.228 1.00 0.00 C ATOM 626 CZ PHE A 49 -0.656 -7.556 -6.220 1.00 0.00 C ATOM 0 H PHE A 49 3.610 -1.752 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 49 1.487 -3.202 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.410 -3.075 -7.497 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.783 -3.934 -8.165 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.318 -6.289 -7.141 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.412 -4.298 -6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.273 -8.419 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.454 -6.438 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.117 -8.497 -5.957 1.00 0.00 H new ATOM 636 N THR A 50 3.783 -4.493 -4.895 1.00 0.00 N ATOM 637 CA THR A 50 5.061 -5.173 -4.739 1.00 0.00 C ATOM 638 C THR A 50 4.791 -6.610 -4.289 1.00 0.00 C ATOM 639 O THR A 50 3.956 -6.859 -3.416 1.00 0.00 O ATOM 640 CB THR A 50 6.002 -4.471 -3.707 1.00 0.00 C ATOM 641 OG1 THR A 50 5.953 -3.040 -3.878 1.00 0.00 O ATOM 642 CG2 THR A 50 7.474 -4.939 -3.849 1.00 0.00 C ATOM 0 H THR A 50 3.230 -4.432 -4.040 1.00 0.00 H new ATOM 0 HA THR A 50 5.574 -5.147 -5.700 1.00 0.00 H new ATOM 0 HB THR A 50 5.645 -4.746 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.545 -2.612 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.092 -4.425 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.531 -6.015 -3.684 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.835 -4.706 -4.851 1.00 0.00 H new ATOM 650 N CYS A 51 5.510 -7.518 -4.902 1.00 0.00 N ATOM 651 CA CYS A 51 5.376 -8.963 -4.693 1.00 0.00 C ATOM 652 C CYS A 51 6.678 -9.669 -5.098 1.00 0.00 C ATOM 653 O CYS A 51 7.688 -9.017 -5.382 1.00 0.00 O ATOM 654 CB CYS A 51 4.172 -9.485 -5.523 1.00 0.00 C ATOM 655 SG CYS A 51 4.298 -9.157 -7.293 1.00 0.00 S ATOM 0 H CYS A 51 6.230 -7.278 -5.583 1.00 0.00 H new ATOM 0 HA CYS A 51 5.192 -9.175 -3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.078 -10.560 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.258 -9.028 -5.144 1.00 0.00 H new ATOM 0 HG CYS A 51 4.128 -10.264 -7.953 1.00 0.00 H new ATOM 661 N ARG A 52 6.649 -11.007 -5.075 1.00 0.00 N ATOM 662 CA ARG A 52 7.742 -11.861 -5.587 1.00 0.00 C ATOM 663 C ARG A 52 7.160 -12.871 -6.597 1.00 0.00 C ATOM 664 O ARG A 52 7.832 -13.827 -7.002 1.00 0.00 O ATOM 665 CB ARG A 52 8.484 -12.595 -4.425 1.00 0.00 C ATOM 666 CG ARG A 52 7.648 -13.639 -3.635 1.00 0.00 C ATOM 667 CD ARG A 52 6.632 -13.011 -2.669 1.00 0.00 C ATOM 668 NE ARG A 52 5.652 -14.003 -2.184 1.00 0.00 N ATOM 669 CZ ARG A 52 4.976 -13.920 -1.040 1.00 0.00 C ATOM 670 NH1 ARG A 52 5.178 -12.924 -0.187 1.00 0.00 N ATOM 671 NH2 ARG A 52 4.088 -14.854 -0.741 1.00 0.00 N ATOM 0 H ARG A 52 5.863 -11.537 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 52 8.479 -11.233 -6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.358 -13.097 -4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.849 -11.845 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.118 -14.277 -4.342 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.324 -14.281 -3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.159 -12.575 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.108 -12.197 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 52 5.479 -14.818 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.864 -12.200 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.648 -12.882 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.926 -15.629 -1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.565 -14.799 0.133 1.00 0.00 H new ATOM 685 N GLN A 53 5.903 -12.614 -7.023 1.00 0.00 N ATOM 686 CA GLN A 53 5.140 -13.472 -7.935 1.00 0.00 C ATOM 687 C GLN A 53 4.757 -12.644 -9.168 1.00 0.00 C ATOM 688 O GLN A 53 3.903 -11.753 -9.090 1.00 0.00 O ATOM 689 CB GLN A 53 3.883 -14.028 -7.207 1.00 0.00 C ATOM 690 CG GLN A 53 4.218 -14.910 -5.984 1.00 0.00 C ATOM 691 CD GLN A 53 3.004 -15.388 -5.173 1.00 0.00 C ATOM 692 OE1 GLN A 53 3.098 -15.574 -3.958 1.00 0.00 O ATOM 693 NE2 GLN A 53 1.862 -15.594 -5.824 1.00 0.00 N ATOM 0 H GLN A 53 5.386 -11.784 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 53 5.738 -14.326 -8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.262 -13.193 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.292 -14.610 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.773 -15.783 -6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.880 -14.351 -5.323 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.812 -15.432 -6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.037 -15.914 -5.317 1.00 0.00 H new ATOM 702 N LYS A 54 5.465 -12.910 -10.276 1.00 0.00 N ATOM 703 CA LYS A 54 5.311 -12.192 -11.559 1.00 0.00 C ATOM 704 C LYS A 54 3.872 -12.221 -12.091 1.00 0.00 C ATOM 705 O LYS A 54 3.438 -11.268 -12.726 1.00 0.00 O ATOM 706 CB LYS A 54 6.330 -12.739 -12.592 1.00 0.00 C ATOM 707 CG LYS A 54 6.165 -14.231 -12.974 1.00 0.00 C ATOM 708 CD LYS A 54 7.455 -14.848 -13.578 1.00 0.00 C ATOM 709 CE LYS A 54 8.012 -14.068 -14.784 1.00 0.00 C ATOM 710 NZ LYS A 54 7.077 -14.065 -15.941 1.00 0.00 N ATOM 0 H LYS A 54 6.174 -13.642 -10.310 1.00 0.00 H new ATOM 0 HA LYS A 54 5.528 -11.139 -11.381 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.256 -12.140 -13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.335 -12.594 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.878 -14.798 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.351 -14.329 -13.692 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.220 -14.896 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.247 -15.873 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.218 -13.040 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.962 -14.507 -15.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.498 -13.528 -16.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.900 -15.043 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.179 -13.622 -15.660 1.00 0.00 H new ATOM 724 N ALA A 55 3.166 -13.316 -11.792 1.00 0.00 N ATOM 725 CA ALA A 55 1.733 -13.484 -12.110 1.00 0.00 C ATOM 726 C ALA A 55 0.863 -12.387 -11.451 1.00 0.00 C ATOM 727 O ALA A 55 -0.024 -11.817 -12.092 1.00 0.00 O ATOM 728 CB ALA A 55 1.256 -14.876 -11.670 1.00 0.00 C ATOM 0 H ALA A 55 3.572 -14.122 -11.317 1.00 0.00 H new ATOM 0 HA ALA A 55 1.620 -13.387 -13.190 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.199 -14.990 -11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.831 -15.640 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.400 -14.987 -10.595 1.00 0.00 H new ATOM 734 N SER A 56 1.165 -12.087 -10.175 1.00 0.00 N ATOM 735 CA SER A 56 0.335 -11.207 -9.327 1.00 0.00 C ATOM 736 C SER A 56 0.223 -9.770 -9.906 1.00 0.00 C ATOM 737 O SER A 56 -0.891 -9.277 -10.161 1.00 0.00 O ATOM 738 CB SER A 56 0.917 -11.181 -7.892 1.00 0.00 C ATOM 739 OG SER A 56 0.026 -10.593 -6.956 1.00 0.00 O ATOM 0 H SER A 56 1.993 -12.448 -9.700 1.00 0.00 H new ATOM 0 HA SER A 56 -0.677 -11.612 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.149 -12.199 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.855 -10.627 -7.894 1.00 0.00 H new ATOM 0 HG SER A 56 0.146 -9.620 -6.956 1.00 0.00 H new ATOM 745 N LEU A 57 1.381 -9.111 -10.143 1.00 0.00 N ATOM 746 CA LEU A 57 1.413 -7.757 -10.731 1.00 0.00 C ATOM 747 C LEU A 57 1.118 -7.789 -12.249 1.00 0.00 C ATOM 748 O LEU A 57 0.656 -6.787 -12.793 1.00 0.00 O ATOM 749 CB LEU A 57 2.749 -7.001 -10.435 1.00 0.00 C ATOM 750 CG LEU A 57 4.031 -7.457 -11.205 1.00 0.00 C ATOM 751 CD1 LEU A 57 5.140 -6.391 -11.121 1.00 0.00 C ATOM 752 CD2 LEU A 57 4.551 -8.810 -10.701 1.00 0.00 C ATOM 0 H LEU A 57 2.302 -9.496 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 57 0.617 -7.194 -10.243 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.589 -5.944 -10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.952 -7.085 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 57 3.746 -7.579 -12.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.019 -6.736 -11.666 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.783 -5.460 -11.561 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.404 -6.222 -10.077 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.442 -9.089 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.799 -8.733 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.782 -9.570 -10.840 1.00 0.00 H new ATOM 764 N ASN A 58 1.432 -8.921 -12.929 1.00 0.00 N ATOM 765 CA ASN A 58 1.100 -9.121 -14.375 1.00 0.00 C ATOM 766 C ASN A 58 -0.367 -8.812 -14.692 1.00 0.00 C ATOM 767 O ASN A 58 -0.666 -8.150 -15.695 1.00 0.00 O ATOM 768 CB ASN A 58 1.423 -10.573 -14.822 1.00 0.00 C ATOM 769 CG ASN A 58 1.104 -10.885 -16.291 1.00 0.00 C ATOM 770 OD1 ASN A 58 1.951 -10.730 -17.170 1.00 0.00 O ATOM 771 ND2 ASN A 58 -0.120 -11.335 -16.569 1.00 0.00 N ATOM 0 H ASN A 58 1.915 -9.713 -12.505 1.00 0.00 H new ATOM 0 HA ASN A 58 1.720 -8.416 -14.929 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.482 -10.764 -14.647 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.866 -11.264 -14.190 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.374 -11.560 -17.531 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.802 -11.454 -15.820 1.00 0.00 H new ATOM 778 N TRP A 59 -1.286 -9.295 -13.856 1.00 0.00 N ATOM 779 CA TRP A 59 -2.716 -9.043 -14.063 1.00 0.00 C ATOM 780 C TRP A 59 -3.101 -7.645 -13.542 1.00 0.00 C ATOM 781 O TRP A 59 -3.974 -7.007 -14.109 1.00 0.00 O ATOM 782 CB TRP A 59 -3.592 -10.138 -13.430 1.00 0.00 C ATOM 783 CG TRP A 59 -3.358 -11.517 -14.014 1.00 0.00 C ATOM 784 CD1 TRP A 59 -2.659 -12.555 -13.452 1.00 0.00 C ATOM 785 CD2 TRP A 59 -3.809 -11.994 -15.296 1.00 0.00 C ATOM 786 NE1 TRP A 59 -2.676 -13.645 -14.285 1.00 0.00 N ATOM 787 CE2 TRP A 59 -3.369 -13.326 -15.424 1.00 0.00 C ATOM 788 CE3 TRP A 59 -4.556 -11.435 -16.337 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -3.650 -14.100 -16.545 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -4.821 -12.202 -17.459 1.00 0.00 C ATOM 791 CH2 TRP A 59 -4.373 -13.526 -17.550 1.00 0.00 C ATOM 0 H TRP A 59 -1.070 -9.859 -13.034 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.904 -9.072 -15.136 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.400 -10.170 -12.357 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.641 -9.872 -13.559 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.166 -12.519 -12.492 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.243 -14.547 -14.089 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.921 -10.421 -16.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.307 -15.122 -16.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.382 -11.773 -18.276 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.604 -14.104 -18.433 1.00 0.00 H new ATOM 802 N HIS A 60 -2.507 -7.218 -12.412 1.00 0.00 N ATOM 803 CA HIS A 60 -2.624 -5.814 -11.926 1.00 0.00 C ATOM 804 C HIS A 60 -2.344 -4.732 -13.025 1.00 0.00 C ATOM 805 O HIS A 60 -3.052 -3.721 -13.072 1.00 0.00 O ATOM 806 CB HIS A 60 -1.729 -5.604 -10.676 1.00 0.00 C ATOM 807 CG HIS A 60 -1.711 -4.194 -10.147 1.00 0.00 C ATOM 808 ND1 HIS A 60 -2.777 -3.544 -9.575 1.00 0.00 N ATOM 809 CD2 HIS A 60 -0.718 -3.297 -10.191 1.00 0.00 C ATOM 810 CE1 HIS A 60 -2.390 -2.282 -9.324 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.134 -2.075 -9.692 1.00 0.00 N ATOM 0 H HIS A 60 -1.940 -7.818 -11.813 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.668 -5.668 -11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.071 -6.271 -9.884 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.709 -5.899 -10.922 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.694 -3.945 -9.377 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.274 -3.500 -10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.024 -1.530 -8.878 1.00 0.00 H new ATOM 819 N MET A 61 -1.298 -4.903 -13.871 1.00 0.00 N ATOM 820 CA MET A 61 -1.069 -3.998 -15.042 1.00 0.00 C ATOM 821 C MET A 61 -2.097 -4.238 -16.182 1.00 0.00 C ATOM 822 O MET A 61 -2.459 -3.307 -16.907 1.00 0.00 O ATOM 823 CB MET A 61 0.389 -4.078 -15.573 1.00 0.00 C ATOM 824 CG MET A 61 0.806 -5.420 -16.186 1.00 0.00 C ATOM 825 SD MET A 61 2.483 -5.390 -16.850 1.00 0.00 S ATOM 826 CE MET A 61 2.356 -4.093 -18.089 1.00 0.00 C ATOM 0 H MET A 61 -0.605 -5.645 -13.773 1.00 0.00 H new ATOM 0 HA MET A 61 -1.224 -2.984 -14.674 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.525 -3.300 -16.324 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.067 -3.850 -14.751 1.00 0.00 H new ATOM 0 HG2 MET A 61 0.734 -6.199 -15.428 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.109 -5.684 -16.982 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.137 -4.227 -18.837 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.380 -4.144 -18.571 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.474 -3.120 -17.611 1.00 0.00 H new ATOM 836 N LYS A 62 -2.524 -5.504 -16.353 1.00 0.00 N ATOM 837 CA LYS A 62 -3.686 -5.870 -17.216 1.00 0.00 C ATOM 838 C LYS A 62 -4.988 -5.145 -16.747 1.00 0.00 C ATOM 839 O LYS A 62 -5.884 -4.870 -17.546 1.00 0.00 O ATOM 840 CB LYS A 62 -3.863 -7.420 -17.225 1.00 0.00 C ATOM 841 CG LYS A 62 -5.070 -8.019 -18.008 1.00 0.00 C ATOM 842 CD LYS A 62 -4.947 -7.958 -19.558 1.00 0.00 C ATOM 843 CE LYS A 62 -5.378 -6.619 -20.159 1.00 0.00 C ATOM 844 NZ LYS A 62 -5.219 -6.576 -21.634 1.00 0.00 N ATOM 0 H LYS A 62 -2.082 -6.306 -15.903 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.489 -5.538 -18.235 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.952 -7.857 -17.633 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.940 -7.752 -16.190 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.196 -9.060 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.975 -7.490 -17.710 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.913 -8.156 -19.839 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.553 -8.753 -19.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.421 -6.430 -19.904 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.790 -5.818 -19.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.525 -5.648 -21.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.220 -6.729 -21.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.800 -7.321 -22.068 1.00 0.00 H new ATOM 858 N LYS A 63 -5.055 -4.833 -15.441 1.00 0.00 N ATOM 859 CA LYS A 63 -6.147 -4.022 -14.849 1.00 0.00 C ATOM 860 C LYS A 63 -6.004 -2.540 -15.267 1.00 0.00 C ATOM 861 O LYS A 63 -7.002 -1.882 -15.554 1.00 0.00 O ATOM 862 CB LYS A 63 -6.181 -4.160 -13.306 1.00 0.00 C ATOM 863 CG LYS A 63 -6.557 -5.568 -12.802 1.00 0.00 C ATOM 864 CD LYS A 63 -6.462 -5.710 -11.263 1.00 0.00 C ATOM 865 CE LYS A 63 -7.408 -4.759 -10.514 1.00 0.00 C ATOM 866 NZ LYS A 63 -8.828 -4.982 -10.874 1.00 0.00 N ATOM 0 H LYS A 63 -4.356 -5.133 -14.761 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.094 -4.401 -15.232 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.202 -3.894 -12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.895 -3.441 -12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.573 -5.801 -13.120 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.900 -6.302 -13.269 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.693 -6.738 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.437 -5.516 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.282 -4.895 -9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.136 -3.728 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.436 -4.391 -10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.977 -4.729 -11.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.069 -5.984 -10.731 1.00 0.00 H new ATOM 880 N HIS A 64 -4.739 -2.058 -15.355 1.00 0.00 N ATOM 881 CA HIS A 64 -4.415 -0.674 -15.805 1.00 0.00 C ATOM 882 C HIS A 64 -4.773 -0.466 -17.291 1.00 0.00 C ATOM 883 O HIS A 64 -5.026 0.667 -17.711 1.00 0.00 O ATOM 884 CB HIS A 64 -2.905 -0.332 -15.617 1.00 0.00 C ATOM 885 CG HIS A 64 -2.489 0.004 -14.216 1.00 0.00 C ATOM 886 ND1 HIS A 64 -2.870 1.162 -13.581 1.00 0.00 N ATOM 887 CD2 HIS A 64 -1.645 -0.630 -13.361 1.00 0.00 C ATOM 888 CE1 HIS A 64 -2.253 1.204 -12.406 1.00 0.00 C ATOM 889 NE2 HIS A 64 -1.496 0.149 -12.227 1.00 0.00 N ATOM 0 H HIS A 64 -3.916 -2.612 -15.118 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.014 -0.011 -15.180 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.313 -1.180 -15.960 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.658 0.511 -16.263 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.513 1.864 -13.947 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.169 -1.584 -13.537 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.361 2.005 -11.690 1.00 0.00 H new ATOM 1020 N SER A 73 -14.266 3.637 -24.661 1.00 0.00 N ATOM 1021 CA SER A 73 -14.233 3.129 -26.020 1.00 0.00 C ATOM 1022 C SER A 73 -15.667 3.038 -26.526 1.00 0.00 C ATOM 1023 O SER A 73 -16.551 2.524 -25.830 1.00 0.00 O ATOM 1024 CB SER A 73 -13.525 1.753 -26.077 1.00 0.00 C ATOM 1025 OG SER A 73 -14.109 0.831 -25.177 1.00 0.00 O ATOM 0 HA SER A 73 -13.662 3.803 -26.659 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.579 1.357 -27.091 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.469 1.876 -25.839 1.00 0.00 H new ATOM 0 HG SER A 73 -14.564 1.318 -24.459 1.00 0.00 H new ATOM 1031 N CYS A 74 -15.900 3.596 -27.699 1.00 0.00 N ATOM 1032 CA CYS A 74 -17.162 3.400 -28.421 1.00 0.00 C ATOM 1033 C CYS A 74 -17.260 1.934 -28.867 1.00 0.00 C ATOM 1034 O CYS A 74 -16.382 1.456 -29.563 1.00 0.00 O ATOM 1035 CB CYS A 74 -17.259 4.325 -29.632 1.00 0.00 C ATOM 1036 SG CYS A 74 -18.570 3.855 -30.792 1.00 0.00 S ATOM 0 H CYS A 74 -15.231 4.195 -28.183 1.00 0.00 H new ATOM 0 HA CYS A 74 -17.989 3.643 -27.754 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -17.436 5.344 -29.288 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -16.303 4.327 -30.156 1.00 0.00 H new ATOM 0 HG CYS A 74 -18.921 4.892 -31.494 1.00 0.00 H new ATOM 1041 N ASN A 75 -18.331 1.241 -28.456 1.00 0.00 N ATOM 1042 CA ASN A 75 -18.515 -0.212 -28.705 1.00 0.00 C ATOM 1043 C ASN A 75 -18.380 -0.603 -30.200 1.00 0.00 C ATOM 1044 O ASN A 75 -18.014 -1.740 -30.518 1.00 0.00 O ATOM 1045 CB ASN A 75 -19.903 -0.673 -28.174 1.00 0.00 C ATOM 1046 CG ASN A 75 -20.103 -0.477 -26.666 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -19.517 0.416 -26.044 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -20.965 -1.293 -26.072 1.00 0.00 N ATOM 0 H ASN A 75 -19.101 1.665 -27.939 1.00 0.00 H new ATOM 0 HA ASN A 75 -17.712 -0.718 -28.169 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.681 -0.126 -28.705 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.037 -1.728 -28.412 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -21.159 -1.192 -25.076 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -21.433 -2.021 -26.612 1.00 0.00 H new ATOM 1055 N ILE A 76 -18.676 0.353 -31.115 1.00 0.00 N ATOM 1056 CA ILE A 76 -18.763 0.076 -32.565 1.00 0.00 C ATOM 1057 C ILE A 76 -17.588 0.698 -33.392 1.00 0.00 C ATOM 1058 O ILE A 76 -17.253 0.154 -34.449 1.00 0.00 O ATOM 1059 CB ILE A 76 -20.173 0.536 -33.125 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -21.316 0.002 -32.187 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -20.393 0.078 -34.590 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -22.731 0.146 -32.710 1.00 0.00 C ATOM 0 H ILE A 76 -18.859 1.326 -30.870 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.664 -1.003 -32.687 1.00 0.00 H new ATOM 0 HB ILE A 76 -20.197 1.626 -33.131 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -21.130 -1.053 -31.987 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -21.248 0.524 -31.233 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -21.371 0.414 -34.933 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -19.618 0.507 -35.226 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -20.344 -1.010 -34.642 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.432 -0.256 -31.979 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -22.950 1.200 -32.881 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -22.830 -0.402 -33.647 1.00 0.00 H new ATOM 1074 N CYS A 77 -16.927 1.806 -32.934 1.00 0.00 N ATOM 1075 CA CYS A 77 -15.781 2.387 -33.720 1.00 0.00 C ATOM 1076 C CYS A 77 -14.617 2.868 -32.833 1.00 0.00 C ATOM 1077 O CYS A 77 -13.657 3.451 -33.347 1.00 0.00 O ATOM 1078 CB CYS A 77 -16.258 3.526 -34.658 1.00 0.00 C ATOM 1079 SG CYS A 77 -16.659 5.102 -33.836 1.00 0.00 S ATOM 0 H CYS A 77 -17.150 2.297 -32.068 1.00 0.00 H new ATOM 0 HA CYS A 77 -15.394 1.570 -34.329 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -15.482 3.711 -35.401 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -17.141 3.183 -35.198 1.00 0.00 H new ATOM 0 HG CYS A 77 -17.331 4.866 -32.748 1.00 0.00 H new ATOM 1084 N GLY A 78 -14.710 2.619 -31.514 1.00 0.00 N ATOM 1085 CA GLY A 78 -13.625 2.903 -30.560 1.00 0.00 C ATOM 1086 C GLY A 78 -13.074 4.324 -30.626 1.00 0.00 C ATOM 1087 O GLY A 78 -11.864 4.515 -30.637 1.00 0.00 O ATOM 0 H GLY A 78 -15.540 2.215 -31.081 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.989 2.716 -29.550 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.809 2.203 -30.740 1.00 0.00 H new ATOM 1091 N LYS A 79 -13.985 5.308 -30.743 1.00 0.00 N ATOM 1092 CA LYS A 79 -13.630 6.730 -30.904 1.00 0.00 C ATOM 1093 C LYS A 79 -12.908 7.334 -29.651 1.00 0.00 C ATOM 1094 O LYS A 79 -11.971 8.115 -29.816 1.00 0.00 O ATOM 1095 CB LYS A 79 -14.925 7.514 -31.276 1.00 0.00 C ATOM 1096 CG LYS A 79 -14.711 8.737 -32.198 1.00 0.00 C ATOM 1097 CD LYS A 79 -14.024 9.947 -31.510 1.00 0.00 C ATOM 1098 CE LYS A 79 -13.636 11.046 -32.510 1.00 0.00 C ATOM 1099 NZ LYS A 79 -14.812 11.556 -33.255 1.00 0.00 N ATOM 0 H LYS A 79 -14.991 5.138 -30.728 1.00 0.00 H new ATOM 0 HA LYS A 79 -12.898 6.821 -31.707 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.618 6.829 -31.763 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.403 7.851 -30.357 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.109 8.431 -33.053 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -15.678 9.057 -32.587 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.695 10.364 -30.759 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.132 9.605 -30.986 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.159 11.869 -31.978 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.902 10.654 -33.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.519 12.342 -33.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.213 10.792 -33.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.530 11.892 -32.582 1.00 0.00 H new ATOM 1113 N LYS A 80 -13.353 6.946 -28.423 1.00 0.00 N ATOM 1114 CA LYS A 80 -12.866 7.497 -27.117 1.00 0.00 C ATOM 1115 C LYS A 80 -13.462 8.889 -26.837 1.00 0.00 C ATOM 1116 O LYS A 80 -13.333 9.817 -27.639 1.00 0.00 O ATOM 1117 CB LYS A 80 -11.303 7.549 -26.940 1.00 0.00 C ATOM 1118 CG LYS A 80 -10.638 6.208 -26.581 1.00 0.00 C ATOM 1119 CD LYS A 80 -10.573 5.215 -27.759 1.00 0.00 C ATOM 1120 CE LYS A 80 -9.528 5.628 -28.817 1.00 0.00 C ATOM 1121 NZ LYS A 80 -8.160 5.688 -28.247 1.00 0.00 N ATOM 0 H LYS A 80 -14.071 6.231 -28.307 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.223 6.774 -26.384 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.861 7.919 -27.865 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.066 8.274 -26.161 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.627 6.398 -26.221 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.187 5.748 -25.759 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.331 4.222 -27.381 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.554 5.147 -28.228 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.547 4.917 -29.643 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.793 6.602 -29.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.462 5.664 -29.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.048 6.568 -27.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.010 4.873 -27.618 1.00 0.00 H new ATOM 1135 N PHE A 81 -14.145 8.985 -25.687 1.00 0.00 N ATOM 1136 CA PHE A 81 -14.749 10.227 -25.157 1.00 0.00 C ATOM 1137 C PHE A 81 -14.434 10.319 -23.662 1.00 0.00 C ATOM 1138 O PHE A 81 -14.342 9.294 -23.001 1.00 0.00 O ATOM 1139 CB PHE A 81 -16.282 10.220 -25.368 1.00 0.00 C ATOM 1140 CG PHE A 81 -16.696 10.136 -26.831 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -16.773 8.907 -27.489 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -16.972 11.291 -27.557 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -17.115 8.846 -28.814 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -17.311 11.223 -28.886 1.00 0.00 C ATOM 1145 CZ PHE A 81 -17.381 10.006 -29.512 1.00 0.00 C ATOM 0 H PHE A 81 -14.300 8.181 -25.079 1.00 0.00 H new ATOM 0 HA PHE A 81 -14.336 11.086 -25.685 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -16.711 9.375 -24.829 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -16.705 11.125 -24.931 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -16.561 7.996 -26.948 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -16.919 12.253 -27.069 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -17.176 7.890 -29.312 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -17.522 12.127 -29.437 1.00 0.00 H new ATOM 0 HZ PHE A 81 -17.646 9.955 -30.558 1.00 0.00 H new ATOM 1155 N GLU A 82 -14.292 11.542 -23.133 1.00 0.00 N ATOM 1156 CA GLU A 82 -13.868 11.773 -21.733 1.00 0.00 C ATOM 1157 C GLU A 82 -14.911 11.294 -20.699 1.00 0.00 C ATOM 1158 O GLU A 82 -14.575 11.102 -19.532 1.00 0.00 O ATOM 1159 CB GLU A 82 -13.539 13.276 -21.518 1.00 0.00 C ATOM 1160 CG GLU A 82 -12.513 13.860 -22.512 1.00 0.00 C ATOM 1161 CD GLU A 82 -11.179 13.093 -22.538 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -10.296 13.379 -21.697 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -11.004 12.196 -23.399 1.00 0.00 O ATOM 0 H GLU A 82 -14.466 12.400 -23.656 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.972 11.174 -21.569 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.463 13.850 -21.591 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.160 13.410 -20.505 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.945 13.856 -23.513 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -12.320 14.901 -22.253 1.00 0.00 H new ATOM 1170 N LYS A 83 -16.173 11.121 -21.142 1.00 0.00 N ATOM 1171 CA LYS A 83 -17.274 10.633 -20.322 1.00 0.00 C ATOM 1172 C LYS A 83 -18.018 9.551 -21.116 1.00 0.00 C ATOM 1173 O LYS A 83 -18.186 9.676 -22.344 1.00 0.00 O ATOM 1174 CB LYS A 83 -18.241 11.795 -19.886 1.00 0.00 C ATOM 1175 CG LYS A 83 -18.516 12.886 -20.963 1.00 0.00 C ATOM 1176 CD LYS A 83 -17.416 13.987 -21.005 1.00 0.00 C ATOM 1177 CE LYS A 83 -17.533 14.934 -22.211 1.00 0.00 C ATOM 1178 NZ LYS A 83 -18.830 15.647 -22.258 1.00 0.00 N ATOM 0 H LYS A 83 -16.449 11.324 -22.103 1.00 0.00 H new ATOM 0 HA LYS A 83 -16.879 10.209 -19.399 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.194 11.357 -19.588 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.822 12.279 -19.004 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.587 12.413 -21.942 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.481 13.351 -20.763 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.467 14.574 -20.088 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.437 13.509 -21.024 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.724 15.663 -22.174 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.405 14.362 -23.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.691 16.593 -22.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.500 15.111 -22.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.211 15.738 -21.295 1.00 0.00 H new ATOM 1192 N LYS A 84 -18.436 8.492 -20.405 1.00 0.00 N ATOM 1193 CA LYS A 84 -19.254 7.387 -20.957 1.00 0.00 C ATOM 1194 C LYS A 84 -20.579 7.923 -21.521 1.00 0.00 C ATOM 1195 O LYS A 84 -21.158 7.339 -22.441 1.00 0.00 O ATOM 1196 CB LYS A 84 -19.527 6.325 -19.855 1.00 0.00 C ATOM 1197 CG LYS A 84 -18.254 5.684 -19.266 1.00 0.00 C ATOM 1198 CD LYS A 84 -18.514 4.638 -18.142 1.00 0.00 C ATOM 1199 CE LYS A 84 -19.173 3.322 -18.631 1.00 0.00 C ATOM 1200 NZ LYS A 84 -20.635 3.446 -18.857 1.00 0.00 N ATOM 0 H LYS A 84 -18.215 8.372 -19.416 1.00 0.00 H new ATOM 0 HA LYS A 84 -18.701 6.918 -21.771 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -20.092 6.792 -19.048 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.157 5.539 -20.272 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.700 5.202 -20.071 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.616 6.474 -18.869 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.566 4.398 -17.660 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -19.153 5.090 -17.383 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.694 3.007 -19.558 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.991 2.538 -17.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -21.119 2.616 -18.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -20.986 4.307 -18.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.825 3.502 -19.878 1.00 0.00 H new ATOM 1214 N ASP A 85 -21.038 9.052 -20.946 1.00 0.00 N ATOM 1215 CA ASP A 85 -22.213 9.788 -21.428 1.00 0.00 C ATOM 1216 C ASP A 85 -22.053 10.194 -22.900 1.00 0.00 C ATOM 1217 O ASP A 85 -22.961 9.972 -23.696 1.00 0.00 O ATOM 1218 CB ASP A 85 -22.468 11.039 -20.554 1.00 0.00 C ATOM 1219 CG ASP A 85 -23.779 11.761 -20.922 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -24.858 11.292 -20.509 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -23.745 12.789 -21.645 1.00 0.00 O ATOM 0 H ASP A 85 -20.598 9.477 -20.130 1.00 0.00 H new ATOM 0 HA ASP A 85 -23.073 9.123 -21.352 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.502 10.744 -19.505 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -21.633 11.731 -20.664 1.00 0.00 H new ATOM 1226 N SER A 86 -20.877 10.761 -23.259 1.00 0.00 N ATOM 1227 CA SER A 86 -20.590 11.176 -24.643 1.00 0.00 C ATOM 1228 C SER A 86 -20.477 9.964 -25.590 1.00 0.00 C ATOM 1229 O SER A 86 -20.745 10.090 -26.782 1.00 0.00 O ATOM 1230 CB SER A 86 -19.327 12.056 -24.715 1.00 0.00 C ATOM 1231 OG SER A 86 -19.530 13.281 -24.041 1.00 0.00 O ATOM 0 H SER A 86 -20.115 10.939 -22.605 1.00 0.00 H new ATOM 0 HA SER A 86 -21.435 11.777 -24.980 1.00 0.00 H new ATOM 0 HB2 SER A 86 -18.484 11.527 -24.271 1.00 0.00 H new ATOM 0 HB3 SER A 86 -19.070 12.247 -25.757 1.00 0.00 H new ATOM 0 HG SER A 86 -19.115 14.008 -24.551 1.00 0.00 H new ATOM 1237 N VAL A 87 -20.077 8.804 -25.038 1.00 0.00 N ATOM 1238 CA VAL A 87 -19.880 7.558 -25.812 1.00 0.00 C ATOM 1239 C VAL A 87 -21.241 6.990 -26.256 1.00 0.00 C ATOM 1240 O VAL A 87 -21.417 6.593 -27.416 1.00 0.00 O ATOM 1241 CB VAL A 87 -19.100 6.465 -24.968 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -18.886 5.159 -25.771 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -17.747 7.006 -24.442 1.00 0.00 C ATOM 0 H VAL A 87 -19.880 8.701 -24.042 1.00 0.00 H new ATOM 0 HA VAL A 87 -19.280 7.805 -26.688 1.00 0.00 H new ATOM 0 HB VAL A 87 -19.728 6.230 -24.109 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -18.348 4.438 -25.156 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -19.853 4.744 -26.055 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -18.306 5.375 -26.668 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -17.242 6.228 -23.869 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -17.121 7.300 -25.284 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -17.925 7.871 -23.802 1.00 0.00 H new ATOM 1253 N VAL A 88 -22.186 6.988 -25.310 1.00 0.00 N ATOM 1254 CA VAL A 88 -23.560 6.482 -25.492 1.00 0.00 C ATOM 1255 C VAL A 88 -24.365 7.473 -26.347 1.00 0.00 C ATOM 1256 O VAL A 88 -25.153 7.070 -27.220 1.00 0.00 O ATOM 1257 CB VAL A 88 -24.268 6.244 -24.100 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -25.763 5.842 -24.259 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -23.503 5.175 -23.287 1.00 0.00 C ATOM 0 H VAL A 88 -22.017 7.347 -24.370 1.00 0.00 H new ATOM 0 HA VAL A 88 -23.513 5.522 -26.006 1.00 0.00 H new ATOM 0 HB VAL A 88 -24.247 7.190 -23.559 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -26.205 5.690 -23.275 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -26.300 6.635 -24.779 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -25.832 4.919 -24.835 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -24.001 5.020 -22.330 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -23.487 4.238 -23.843 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -22.481 5.512 -23.114 1.00 0.00 H new ATOM 1269 N ALA A 89 -24.110 8.777 -26.103 1.00 0.00 N ATOM 1270 CA ALA A 89 -24.745 9.883 -26.851 1.00 0.00 C ATOM 1271 C ALA A 89 -24.341 9.802 -28.324 1.00 0.00 C ATOM 1272 O ALA A 89 -25.160 9.996 -29.230 1.00 0.00 O ATOM 1273 CB ALA A 89 -24.358 11.258 -26.263 1.00 0.00 C ATOM 0 H ALA A 89 -23.459 9.092 -25.383 1.00 0.00 H new ATOM 0 HA ALA A 89 -25.827 9.781 -26.763 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -24.842 12.048 -26.837 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -24.682 11.313 -25.224 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.276 11.384 -26.313 1.00 0.00 H new ATOM 1279 N HIS A 90 -23.056 9.468 -28.531 1.00 0.00 N ATOM 1280 CA HIS A 90 -22.464 9.304 -29.866 1.00 0.00 C ATOM 1281 C HIS A 90 -22.949 8.001 -30.531 1.00 0.00 C ATOM 1282 O HIS A 90 -23.169 7.981 -31.722 1.00 0.00 O ATOM 1283 CB HIS A 90 -20.906 9.354 -29.756 1.00 0.00 C ATOM 1284 CG HIS A 90 -20.135 8.602 -30.809 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -19.726 9.129 -32.010 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -19.677 7.331 -30.793 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -19.057 8.181 -32.665 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -19.000 7.069 -31.964 1.00 0.00 N ATOM 0 H HIS A 90 -22.396 9.304 -27.771 1.00 0.00 H new ATOM 0 HA HIS A 90 -22.791 10.124 -30.506 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -20.595 10.398 -29.786 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -20.620 8.964 -28.779 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -19.903 10.077 -32.341 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -19.820 6.628 -29.986 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -18.619 8.309 -33.644 1.00 0.00 H new ATOM 1296 N LYS A 91 -23.087 6.916 -29.747 1.00 0.00 N ATOM 1297 CA LYS A 91 -23.316 5.552 -30.288 1.00 0.00 C ATOM 1298 C LYS A 91 -24.744 5.412 -30.839 1.00 0.00 C ATOM 1299 O LYS A 91 -24.967 4.772 -31.871 1.00 0.00 O ATOM 1300 CB LYS A 91 -23.020 4.471 -29.207 1.00 0.00 C ATOM 1301 CG LYS A 91 -22.993 3.024 -29.741 1.00 0.00 C ATOM 1302 CD LYS A 91 -22.696 1.946 -28.663 1.00 0.00 C ATOM 1303 CE LYS A 91 -23.840 1.725 -27.641 1.00 0.00 C ATOM 1304 NZ LYS A 91 -23.979 2.841 -26.664 1.00 0.00 N ATOM 0 H LYS A 91 -23.044 6.953 -28.729 1.00 0.00 H new ATOM 0 HA LYS A 91 -22.624 5.395 -31.116 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -22.058 4.692 -28.744 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -23.775 4.542 -28.424 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.955 2.802 -30.203 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -22.239 2.953 -30.525 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -22.484 1.000 -29.162 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -21.793 2.230 -28.122 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.780 1.603 -28.179 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -23.660 0.797 -27.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -24.165 2.453 -25.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -23.100 3.396 -26.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.770 3.454 -26.948 1.00 0.00 H new ATOM 1318 N ALA A 92 -25.692 6.042 -30.139 1.00 0.00 N ATOM 1319 CA ALA A 92 -27.099 6.090 -30.549 1.00 0.00 C ATOM 1320 C ALA A 92 -27.279 6.950 -31.816 1.00 0.00 C ATOM 1321 O ALA A 92 -28.157 6.683 -32.643 1.00 0.00 O ATOM 1322 CB ALA A 92 -27.956 6.634 -29.395 1.00 0.00 C ATOM 0 H ALA A 92 -25.504 6.536 -29.267 1.00 0.00 H new ATOM 0 HA ALA A 92 -27.427 5.079 -30.789 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -29.001 6.668 -29.703 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -27.855 5.982 -28.528 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -27.621 7.638 -29.135 1.00 0.00 H new ATOM 1328 N LYS A 93 -26.406 7.962 -31.969 1.00 0.00 N ATOM 1329 CA LYS A 93 -26.523 8.990 -33.005 1.00 0.00 C ATOM 1330 C LYS A 93 -25.783 8.582 -34.299 1.00 0.00 C ATOM 1331 O LYS A 93 -26.329 8.679 -35.404 1.00 0.00 O ATOM 1332 CB LYS A 93 -25.944 10.302 -32.423 1.00 0.00 C ATOM 1333 CG LYS A 93 -25.893 11.479 -33.402 1.00 0.00 C ATOM 1334 CD LYS A 93 -25.448 12.801 -32.731 1.00 0.00 C ATOM 1335 CE LYS A 93 -26.389 13.233 -31.588 1.00 0.00 C ATOM 1336 NZ LYS A 93 -25.917 14.465 -30.911 1.00 0.00 N ATOM 0 H LYS A 93 -25.592 8.085 -31.367 1.00 0.00 H new ATOM 0 HA LYS A 93 -27.569 9.123 -33.281 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -26.542 10.593 -31.559 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -24.935 10.107 -32.061 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -25.206 11.240 -34.214 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -26.878 11.617 -33.848 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -24.438 12.683 -32.340 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -25.409 13.590 -33.482 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -27.390 13.400 -31.987 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -26.467 12.427 -30.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -26.579 14.718 -30.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -24.973 14.299 -30.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -25.867 15.242 -31.600 1.00 0.00 H new ATOM 1350 N SER A 94 -24.552 8.095 -34.123 1.00 0.00 N ATOM 1351 CA SER A 94 -23.617 7.789 -35.211 1.00 0.00 C ATOM 1352 C SER A 94 -23.822 6.354 -35.713 1.00 0.00 C ATOM 1353 O SER A 94 -23.413 6.014 -36.822 1.00 0.00 O ATOM 1354 CB SER A 94 -22.158 7.985 -34.714 1.00 0.00 C ATOM 1355 OG SER A 94 -21.199 7.655 -35.707 1.00 0.00 O ATOM 0 H SER A 94 -24.168 7.898 -33.199 1.00 0.00 H new ATOM 0 HA SER A 94 -23.807 8.469 -36.042 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.018 9.022 -34.408 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.991 7.367 -33.832 1.00 0.00 H new ATOM 0 HG SER A 94 -20.297 7.795 -35.350 1.00 0.00 H new ATOM 1361 N HIS A 95 -24.476 5.514 -34.879 1.00 0.00 N ATOM 1362 CA HIS A 95 -24.698 4.080 -35.168 1.00 0.00 C ATOM 1363 C HIS A 95 -26.137 3.684 -34.725 1.00 0.00 C ATOM 1364 O HIS A 95 -26.295 2.802 -33.868 1.00 0.00 O ATOM 1365 CB HIS A 95 -23.650 3.189 -34.422 1.00 0.00 C ATOM 1366 CG HIS A 95 -22.233 3.686 -34.426 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -21.482 3.912 -35.556 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -21.443 4.012 -33.376 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -20.283 4.360 -35.162 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -20.222 4.438 -33.846 1.00 0.00 N ATOM 0 H HIS A 95 -24.865 5.813 -33.985 1.00 0.00 H new ATOM 0 HA HIS A 95 -24.581 3.917 -36.239 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -23.971 3.078 -33.386 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -23.665 2.195 -34.869 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -21.784 3.765 -36.519 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -21.726 3.948 -32.336 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -19.476 4.622 -35.830 1.00 0.00 H new