USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 603 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.0524 (180deg=-0.281) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0587 USER MOD Single : A 15 THR OG1 : rot 160:sc= 0.355 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.36) USER MOD Single : A 22 SER OG : rot -18:sc= 0.0373 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -44:sc= 0.724 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 29:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.2) USER MOD Single : A 52 GLN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -127:sc= -0.0119 (180deg=-0.295) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= 1.13 (180deg=0.933) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 69 THR OG1 : rot 38:sc= -0.171 USER MOD Single : A 71 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.89) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 73 MET CE :methyl 161:sc= -0.181 (180deg=-0.702) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -15.900 -16.211 1.704 1.00 14.52 N ATOM 2 CA GLY A 2 -15.392 -16.218 0.355 1.00 63.20 C ATOM 3 C GLY A 2 -13.922 -16.576 0.330 1.00 23.32 C ATOM 4 O GLY A 2 -13.361 -16.986 1.355 1.00 4.23 O ATOM 0 HA2 GLY A 2 -15.954 -16.933 -0.245 1.00 63.20 H new ATOM 0 HA3 GLY A 2 -15.539 -15.237 -0.098 1.00 63.20 H new ATOM 8 N SER A 3 -13.295 -16.429 -0.807 1.00 54.32 N ATOM 9 CA SER A 3 -11.885 -16.728 -0.941 1.00 52.00 C ATOM 10 C SER A 3 -11.057 -15.452 -0.828 1.00 64.12 C ATOM 11 O SER A 3 -9.834 -15.487 -0.656 1.00 41.44 O ATOM 12 CB SER A 3 -11.631 -17.404 -2.274 1.00 42.14 C ATOM 13 OG SER A 3 -12.431 -18.569 -2.401 1.00 3.15 O ATOM 0 H SER A 3 -13.740 -16.101 -1.664 1.00 54.32 H new ATOM 0 HA SER A 3 -11.588 -17.402 -0.137 1.00 52.00 H new ATOM 0 HB2 SER A 3 -11.853 -16.713 -3.087 1.00 42.14 H new ATOM 0 HB3 SER A 3 -10.577 -17.668 -2.359 1.00 42.14 H new ATOM 0 HG SER A 3 -12.257 -18.993 -3.267 1.00 3.15 H new ATOM 19 N GLU A 4 -11.722 -14.331 -0.914 1.00 24.53 N ATOM 20 CA GLU A 4 -11.065 -13.047 -0.820 1.00 71.21 C ATOM 21 C GLU A 4 -11.386 -12.427 0.528 1.00 5.14 C ATOM 22 O GLU A 4 -10.988 -11.308 0.816 1.00 13.32 O ATOM 23 CB GLU A 4 -11.506 -12.094 -1.972 1.00 3.31 C ATOM 24 CG GLU A 4 -12.978 -11.628 -1.941 1.00 75.13 C ATOM 25 CD GLU A 4 -13.985 -12.747 -2.038 1.00 55.12 C ATOM 26 OE1 GLU A 4 -14.290 -13.374 -1.003 1.00 32.42 O ATOM 27 OE2 GLU A 4 -14.469 -13.029 -3.134 1.00 74.44 O ATOM 0 H GLU A 4 -12.731 -14.278 -1.051 1.00 24.53 H new ATOM 0 HA GLU A 4 -9.989 -13.196 -0.915 1.00 71.21 H new ATOM 0 HB2 GLU A 4 -10.866 -11.212 -1.952 1.00 3.31 H new ATOM 0 HB3 GLU A 4 -11.325 -12.597 -2.922 1.00 3.31 H new ATOM 0 HG2 GLU A 4 -13.153 -11.076 -1.017 1.00 75.13 H new ATOM 0 HG3 GLU A 4 -13.144 -10.933 -2.764 1.00 75.13 H new ATOM 34 N VAL A 5 -12.136 -13.190 1.351 1.00 2.30 N ATOM 35 CA VAL A 5 -12.592 -12.753 2.686 1.00 42.51 C ATOM 36 C VAL A 5 -13.609 -11.588 2.504 1.00 72.33 C ATOM 37 O VAL A 5 -13.946 -10.845 3.441 1.00 53.32 O ATOM 38 CB VAL A 5 -11.371 -12.354 3.619 1.00 2.02 C ATOM 39 CG1 VAL A 5 -11.814 -12.018 5.045 1.00 74.21 C ATOM 40 CG2 VAL A 5 -10.341 -13.478 3.656 1.00 53.21 C ATOM 0 H VAL A 5 -12.443 -14.131 1.106 1.00 2.30 H new ATOM 0 HA VAL A 5 -13.090 -13.579 3.194 1.00 42.51 H new ATOM 0 HB VAL A 5 -10.924 -11.457 3.190 1.00 2.02 H new ATOM 0 HG11 VAL A 5 -10.943 -11.752 5.643 1.00 74.21 H new ATOM 0 HG12 VAL A 5 -12.509 -11.178 5.022 1.00 74.21 H new ATOM 0 HG13 VAL A 5 -12.306 -12.884 5.487 1.00 74.21 H new ATOM 0 HG21 VAL A 5 -9.510 -13.189 4.300 1.00 53.21 H new ATOM 0 HG22 VAL A 5 -10.805 -14.384 4.047 1.00 53.21 H new ATOM 0 HG23 VAL A 5 -9.971 -13.666 2.648 1.00 53.21 H new ATOM 50 N SER A 6 -14.149 -11.513 1.267 1.00 44.35 N ATOM 51 CA SER A 6 -15.088 -10.482 0.843 1.00 61.51 C ATOM 52 C SER A 6 -14.437 -9.101 0.961 1.00 64.42 C ATOM 53 O SER A 6 -15.129 -8.099 1.118 1.00 2.21 O ATOM 54 CB SER A 6 -16.356 -10.553 1.699 1.00 11.23 C ATOM 55 OG SER A 6 -16.908 -11.870 1.683 1.00 65.53 O ATOM 0 H SER A 6 -13.932 -12.185 0.531 1.00 44.35 H new ATOM 0 HA SER A 6 -15.360 -10.649 -0.199 1.00 61.51 H new ATOM 0 HB2 SER A 6 -16.124 -10.264 2.724 1.00 11.23 H new ATOM 0 HB3 SER A 6 -17.092 -9.841 1.326 1.00 11.23 H new ATOM 0 HG SER A 6 -17.716 -11.893 2.237 1.00 65.53 H new ATOM 61 N ASP A 7 -13.091 -9.075 0.849 1.00 51.11 N ATOM 62 CA ASP A 7 -12.286 -7.858 1.004 1.00 52.34 C ATOM 63 C ASP A 7 -12.826 -6.700 0.181 1.00 43.54 C ATOM 64 O ASP A 7 -12.730 -6.674 -1.060 1.00 42.31 O ATOM 65 CB ASP A 7 -10.801 -8.129 0.711 1.00 1.53 C ATOM 66 CG ASP A 7 -9.914 -6.910 0.889 1.00 11.22 C ATOM 67 OD1 ASP A 7 -9.971 -6.259 1.966 1.00 50.44 O ATOM 68 OD2 ASP A 7 -9.157 -6.585 -0.028 1.00 64.23 O ATOM 0 H ASP A 7 -12.535 -9.906 0.647 1.00 51.11 H new ATOM 0 HA ASP A 7 -12.363 -7.554 2.048 1.00 52.34 H new ATOM 0 HB2 ASP A 7 -10.449 -8.923 1.369 1.00 1.53 H new ATOM 0 HB3 ASP A 7 -10.702 -8.494 -0.311 1.00 1.53 H new ATOM 73 N LYS A 8 -13.417 -5.770 0.907 1.00 42.21 N ATOM 74 CA LYS A 8 -14.081 -4.583 0.386 1.00 71.12 C ATOM 75 C LYS A 8 -13.119 -3.729 -0.358 1.00 11.24 C ATOM 76 O LYS A 8 -13.402 -3.257 -1.462 1.00 21.24 O ATOM 77 CB LYS A 8 -14.551 -3.758 1.551 1.00 32.32 C ATOM 78 CG LYS A 8 -15.503 -4.436 2.487 1.00 22.40 C ATOM 79 CD LYS A 8 -15.727 -3.556 3.687 1.00 64.13 C ATOM 80 CE LYS A 8 -14.520 -3.497 4.625 1.00 4.33 C ATOM 81 NZ LYS A 8 -14.151 -4.824 5.170 1.00 31.23 N ATOM 0 H LYS A 8 -13.450 -5.821 1.925 1.00 42.21 H new ATOM 0 HA LYS A 8 -14.895 -4.901 -0.265 1.00 71.12 H new ATOM 0 HB2 LYS A 8 -13.679 -3.437 2.120 1.00 32.32 H new ATOM 0 HB3 LYS A 8 -15.029 -2.858 1.165 1.00 32.32 H new ATOM 0 HG2 LYS A 8 -16.449 -4.632 1.983 1.00 22.40 H new ATOM 0 HG3 LYS A 8 -15.101 -5.400 2.798 1.00 22.40 H new ATOM 0 HD2 LYS A 8 -15.967 -2.547 3.350 1.00 64.13 H new ATOM 0 HD3 LYS A 8 -16.592 -3.921 4.241 1.00 64.13 H new ATOM 0 HE2 LYS A 8 -13.668 -3.080 4.088 1.00 4.33 H new ATOM 0 HE3 LYS A 8 -14.739 -2.819 5.450 1.00 4.33 H new ATOM 0 HZ1 LYS A 8 -13.508 -4.701 5.978 1.00 31.23 H new ATOM 0 HZ2 LYS A 8 -15.009 -5.322 5.482 1.00 31.23 H new ATOM 0 HZ3 LYS A 8 -13.676 -5.382 4.432 1.00 31.23 H new ATOM 95 N ARG A 9 -12.010 -3.501 0.305 1.00 24.42 N ATOM 96 CA ARG A 9 -10.903 -2.679 -0.179 1.00 40.31 C ATOM 97 C ARG A 9 -11.219 -1.244 0.089 1.00 35.22 C ATOM 98 O ARG A 9 -11.705 -0.508 -0.763 1.00 45.25 O ATOM 99 CB ARG A 9 -10.499 -2.961 -1.661 1.00 13.31 C ATOM 100 CG ARG A 9 -10.044 -4.397 -1.877 1.00 12.14 C ATOM 101 CD ARG A 9 -9.787 -4.760 -3.335 1.00 64.13 C ATOM 102 NE ARG A 9 -8.709 -3.994 -3.969 1.00 3.22 N ATOM 103 CZ ARG A 9 -7.528 -4.520 -4.353 1.00 3.13 C ATOM 104 NH1 ARG A 9 -7.186 -5.756 -3.983 1.00 32.30 N ATOM 105 NH2 ARG A 9 -6.687 -3.808 -5.091 1.00 3.52 N ATOM 0 H ARG A 9 -11.838 -3.893 1.231 1.00 24.42 H new ATOM 0 HA ARG A 9 -10.005 -2.954 0.375 1.00 40.31 H new ATOM 0 HB2 ARG A 9 -11.347 -2.750 -2.312 1.00 13.31 H new ATOM 0 HB3 ARG A 9 -9.698 -2.282 -1.951 1.00 13.31 H new ATOM 0 HG2 ARG A 9 -9.131 -4.567 -1.306 1.00 12.14 H new ATOM 0 HG3 ARG A 9 -10.801 -5.070 -1.475 1.00 12.14 H new ATOM 0 HD2 ARG A 9 -9.546 -5.821 -3.395 1.00 64.13 H new ATOM 0 HD3 ARG A 9 -10.706 -4.609 -3.902 1.00 64.13 H new ATOM 0 HE ARG A 9 -8.862 -2.999 -4.130 1.00 3.22 H new ATOM 0 HH11 ARG A 9 -7.820 -6.309 -3.406 1.00 32.30 H new ATOM 0 HH12 ARG A 9 -6.291 -6.147 -4.277 1.00 32.30 H new ATOM 0 HH21 ARG A 9 -6.932 -2.858 -5.371 1.00 3.52 H new ATOM 0 HH22 ARG A 9 -5.795 -4.210 -5.379 1.00 3.52 H new ATOM 119 N THR A 10 -11.053 -0.891 1.330 1.00 72.11 N ATOM 120 CA THR A 10 -11.356 0.410 1.845 1.00 34.10 C ATOM 121 C THR A 10 -10.472 0.579 3.085 1.00 35.05 C ATOM 122 O THR A 10 -9.973 -0.414 3.617 1.00 75.23 O ATOM 123 CB THR A 10 -12.872 0.479 2.246 1.00 43.40 C ATOM 124 OG1 THR A 10 -13.681 0.036 1.136 1.00 52.23 O ATOM 125 CG2 THR A 10 -13.290 1.899 2.597 1.00 4.14 C ATOM 0 H THR A 10 -10.688 -1.528 2.038 1.00 72.11 H new ATOM 0 HA THR A 10 -11.172 1.195 1.112 1.00 34.10 H new ATOM 0 HB THR A 10 -13.015 -0.160 3.117 1.00 43.40 H new ATOM 0 HG1 THR A 10 -14.628 0.077 1.385 1.00 52.23 H new ATOM 0 HG21 THR A 10 -14.345 1.911 2.870 1.00 4.14 H new ATOM 0 HG22 THR A 10 -12.694 2.257 3.437 1.00 4.14 H new ATOM 0 HG23 THR A 10 -13.131 2.548 1.736 1.00 4.14 H new ATOM 133 N CYS A 11 -10.277 1.766 3.538 1.00 61.34 N ATOM 134 CA CYS A 11 -9.416 2.009 4.654 1.00 32.04 C ATOM 135 C CYS A 11 -10.206 2.450 5.869 1.00 3.04 C ATOM 136 O CYS A 11 -11.223 3.139 5.751 1.00 63.33 O ATOM 137 CB CYS A 11 -8.420 3.089 4.278 1.00 42.31 C ATOM 138 SG CYS A 11 -7.299 3.578 5.613 1.00 22.43 S ATOM 0 H CYS A 11 -10.709 2.604 3.148 1.00 61.34 H new ATOM 0 HA CYS A 11 -8.898 1.084 4.905 1.00 32.04 H new ATOM 0 HB2 CYS A 11 -7.827 2.740 3.433 1.00 42.31 H new ATOM 0 HB3 CYS A 11 -8.968 3.969 3.941 1.00 42.31 H new ATOM 143 N VAL A 12 -9.751 2.018 7.032 1.00 72.12 N ATOM 144 CA VAL A 12 -10.376 2.376 8.287 1.00 23.24 C ATOM 145 C VAL A 12 -9.669 3.576 8.940 1.00 34.51 C ATOM 146 O VAL A 12 -10.315 4.437 9.542 1.00 54.10 O ATOM 147 CB VAL A 12 -10.444 1.169 9.277 1.00 13.50 C ATOM 148 CG1 VAL A 12 -11.311 0.065 8.702 1.00 31.14 C ATOM 149 CG2 VAL A 12 -9.051 0.624 9.588 1.00 22.33 C ATOM 0 H VAL A 12 -8.938 1.410 7.130 1.00 72.12 H new ATOM 0 HA VAL A 12 -11.401 2.666 8.056 1.00 23.24 H new ATOM 0 HB VAL A 12 -10.885 1.528 10.207 1.00 13.50 H new ATOM 0 HG11 VAL A 12 -11.349 -0.769 9.402 1.00 31.14 H new ATOM 0 HG12 VAL A 12 -12.319 0.444 8.534 1.00 31.14 H new ATOM 0 HG13 VAL A 12 -10.888 -0.274 7.756 1.00 31.14 H new ATOM 0 HG21 VAL A 12 -9.134 -0.215 10.279 1.00 22.33 H new ATOM 0 HG22 VAL A 12 -8.577 0.288 8.666 1.00 22.33 H new ATOM 0 HG23 VAL A 12 -8.446 1.409 10.041 1.00 22.33 H new ATOM 159 N SER A 13 -8.353 3.635 8.818 1.00 23.32 N ATOM 160 CA SER A 13 -7.564 4.724 9.372 1.00 74.11 C ATOM 161 C SER A 13 -6.243 4.831 8.642 1.00 64.12 C ATOM 162 O SER A 13 -5.637 3.809 8.283 1.00 5.13 O ATOM 163 CB SER A 13 -7.279 4.500 10.854 1.00 43.35 C ATOM 164 OG SER A 13 -8.482 4.365 11.617 1.00 3.32 O ATOM 0 H SER A 13 -7.801 2.929 8.332 1.00 23.32 H new ATOM 0 HA SER A 13 -8.140 5.642 9.252 1.00 74.11 H new ATOM 0 HB2 SER A 13 -6.671 3.604 10.975 1.00 43.35 H new ATOM 0 HB3 SER A 13 -6.696 5.335 11.241 1.00 43.35 H new ATOM 0 HG SER A 13 -8.257 4.221 12.560 1.00 3.32 H new ATOM 170 N LEU A 14 -5.803 6.042 8.440 1.00 64.21 N ATOM 171 CA LEU A 14 -4.551 6.317 7.778 1.00 12.43 C ATOM 172 C LEU A 14 -3.430 6.314 8.795 1.00 14.11 C ATOM 173 O LEU A 14 -3.666 6.177 10.008 1.00 74.22 O ATOM 174 CB LEU A 14 -4.599 7.713 7.137 1.00 14.41 C ATOM 175 CG LEU A 14 -5.693 7.965 6.108 1.00 61.05 C ATOM 176 CD1 LEU A 14 -5.668 9.413 5.655 1.00 0.31 C ATOM 177 CD2 LEU A 14 -5.511 7.053 4.923 1.00 32.12 C ATOM 0 H LEU A 14 -6.308 6.879 8.733 1.00 64.21 H new ATOM 0 HA LEU A 14 -4.382 5.554 7.018 1.00 12.43 H new ATOM 0 HB2 LEU A 14 -4.708 8.448 7.934 1.00 14.41 H new ATOM 0 HB3 LEU A 14 -3.637 7.900 6.661 1.00 14.41 H new ATOM 0 HG LEU A 14 -6.658 7.758 6.570 1.00 61.05 H new ATOM 0 HD11 LEU A 14 -6.456 9.578 4.920 1.00 0.31 H new ATOM 0 HD12 LEU A 14 -5.830 10.065 6.513 1.00 0.31 H new ATOM 0 HD13 LEU A 14 -4.700 9.637 5.207 1.00 0.31 H new ATOM 0 HD21 LEU A 14 -6.299 7.242 4.194 1.00 32.12 H new ATOM 0 HD22 LEU A 14 -4.540 7.241 4.465 1.00 32.12 H new ATOM 0 HD23 LEU A 14 -5.562 6.015 5.252 1.00 32.12 H new ATOM 189 N THR A 15 -2.231 6.443 8.319 1.00 11.22 N ATOM 190 CA THR A 15 -1.103 6.616 9.166 1.00 0.41 C ATOM 191 C THR A 15 -0.127 7.534 8.475 1.00 40.04 C ATOM 192 O THR A 15 -0.068 7.587 7.227 1.00 4.43 O ATOM 193 CB THR A 15 -0.376 5.277 9.545 1.00 32.14 C ATOM 194 OG1 THR A 15 0.556 5.532 10.607 1.00 24.44 O ATOM 195 CG2 THR A 15 0.414 4.712 8.365 1.00 40.04 C ATOM 0 H THR A 15 -2.011 6.430 7.323 1.00 11.22 H new ATOM 0 HA THR A 15 -1.468 7.037 10.103 1.00 0.41 H new ATOM 0 HB THR A 15 -1.140 4.559 9.843 1.00 32.14 H new ATOM 0 HG1 THR A 15 0.772 4.691 11.062 1.00 24.44 H new ATOM 0 HG21 THR A 15 0.903 3.785 8.665 1.00 40.04 H new ATOM 0 HG22 THR A 15 -0.264 4.512 7.535 1.00 40.04 H new ATOM 0 HG23 THR A 15 1.167 5.435 8.052 1.00 40.04 H new ATOM 203 N THR A 16 0.581 8.271 9.253 1.00 71.25 N ATOM 204 CA THR A 16 1.633 9.084 8.772 1.00 62.45 C ATOM 205 C THR A 16 2.944 8.533 9.302 1.00 13.23 C ATOM 206 O THR A 16 4.027 9.044 9.003 1.00 54.11 O ATOM 207 CB THR A 16 1.425 10.552 9.172 1.00 22.43 C ATOM 208 OG1 THR A 16 1.169 10.638 10.579 1.00 25.14 O ATOM 209 CG2 THR A 16 0.252 11.151 8.406 1.00 13.50 C ATOM 0 H THR A 16 0.441 8.325 10.262 1.00 71.25 H new ATOM 0 HA THR A 16 1.651 9.064 7.682 1.00 62.45 H new ATOM 0 HB THR A 16 2.329 11.111 8.929 1.00 22.43 H new ATOM 0 HG1 THR A 16 1.039 11.576 10.831 1.00 25.14 H new ATOM 0 HG21 THR A 16 0.118 12.192 8.701 1.00 13.50 H new ATOM 0 HG22 THR A 16 0.452 11.100 7.336 1.00 13.50 H new ATOM 0 HG23 THR A 16 -0.655 10.590 8.632 1.00 13.50 H new ATOM 217 N GLN A 17 2.828 7.448 10.073 1.00 34.43 N ATOM 218 CA GLN A 17 3.968 6.770 10.610 1.00 23.10 C ATOM 219 C GLN A 17 4.511 5.865 9.557 1.00 55.44 C ATOM 220 O GLN A 17 3.774 5.073 8.960 1.00 33.11 O ATOM 221 CB GLN A 17 3.623 6.005 11.878 1.00 31.22 C ATOM 222 CG GLN A 17 3.140 6.890 13.009 1.00 4.22 C ATOM 223 CD GLN A 17 4.152 7.952 13.369 1.00 43.54 C ATOM 224 OE1 GLN A 17 4.130 9.059 12.829 1.00 32.52 O ATOM 225 NE2 GLN A 17 5.050 7.625 14.251 1.00 70.04 N ATOM 0 H GLN A 17 1.934 7.030 10.331 1.00 34.43 H new ATOM 0 HA GLN A 17 4.725 7.501 10.894 1.00 23.10 H new ATOM 0 HB2 GLN A 17 2.852 5.269 11.650 1.00 31.22 H new ATOM 0 HB3 GLN A 17 4.503 5.453 12.210 1.00 31.22 H new ATOM 0 HG2 GLN A 17 2.202 7.366 12.722 1.00 4.22 H new ATOM 0 HG3 GLN A 17 2.931 6.276 13.885 1.00 4.22 H new ATOM 0 HE21 GLN A 17 5.034 6.698 14.675 1.00 70.04 H new ATOM 0 HE22 GLN A 17 5.770 8.296 14.518 1.00 70.04 H new ATOM 234 N ARG A 18 5.779 5.958 9.337 1.00 14.31 N ATOM 235 CA ARG A 18 6.393 5.312 8.222 1.00 75.11 C ATOM 236 C ARG A 18 6.717 3.862 8.485 1.00 61.43 C ATOM 237 O ARG A 18 6.922 3.442 9.633 1.00 53.05 O ATOM 238 CB ARG A 18 7.660 6.037 7.821 1.00 31.23 C ATOM 239 CG ARG A 18 7.463 7.513 7.592 1.00 62.44 C ATOM 240 CD ARG A 18 8.637 8.097 6.870 1.00 73.22 C ATOM 241 NE ARG A 18 8.524 9.560 6.712 1.00 42.44 N ATOM 242 CZ ARG A 18 9.166 10.297 5.785 1.00 44.44 C ATOM 243 NH1 ARG A 18 9.936 9.711 4.866 1.00 64.52 N ATOM 244 NH2 ARG A 18 9.025 11.612 5.775 1.00 41.24 N ATOM 0 H ARG A 18 6.423 6.486 9.926 1.00 14.31 H new ATOM 0 HA ARG A 18 5.664 5.347 7.412 1.00 75.11 H new ATOM 0 HB2 ARG A 18 8.411 5.895 8.598 1.00 31.23 H new ATOM 0 HB3 ARG A 18 8.054 5.586 6.910 1.00 31.23 H new ATOM 0 HG2 ARG A 18 6.554 7.678 7.013 1.00 62.44 H new ATOM 0 HG3 ARG A 18 7.328 8.020 8.548 1.00 62.44 H new ATOM 0 HD2 ARG A 18 9.551 7.862 7.416 1.00 73.22 H new ATOM 0 HD3 ARG A 18 8.724 7.633 5.888 1.00 73.22 H new ATOM 0 HE ARG A 18 7.909 10.054 7.358 1.00 42.44 H new ATOM 0 HH11 ARG A 18 10.042 8.697 4.861 1.00 64.52 H new ATOM 0 HH12 ARG A 18 10.418 10.278 4.168 1.00 64.52 H new ATOM 0 HH21 ARG A 18 8.431 12.067 6.468 1.00 41.24 H new ATOM 0 HH22 ARG A 18 9.510 12.172 5.074 1.00 41.24 H new ATOM 258 N LEU A 19 6.732 3.109 7.427 1.00 60.14 N ATOM 259 CA LEU A 19 7.163 1.740 7.432 1.00 14.52 C ATOM 260 C LEU A 19 8.376 1.663 6.538 1.00 42.45 C ATOM 261 O LEU A 19 8.530 2.515 5.648 1.00 63.15 O ATOM 262 CB LEU A 19 6.089 0.750 6.869 1.00 73.04 C ATOM 263 CG LEU A 19 4.806 0.491 7.679 1.00 23.23 C ATOM 264 CD1 LEU A 19 3.909 1.705 7.749 1.00 13.32 C ATOM 265 CD2 LEU A 19 4.056 -0.702 7.114 1.00 20.24 C ATOM 0 H LEU A 19 6.436 3.438 6.508 1.00 60.14 H new ATOM 0 HA LEU A 19 7.360 1.448 8.464 1.00 14.52 H new ATOM 0 HB2 LEU A 19 5.788 1.116 5.887 1.00 73.04 H new ATOM 0 HB3 LEU A 19 6.579 -0.211 6.714 1.00 73.04 H new ATOM 0 HG LEU A 19 5.111 0.268 8.701 1.00 23.23 H new ATOM 0 HD11 LEU A 19 3.019 1.467 8.332 1.00 13.32 H new ATOM 0 HD12 LEU A 19 4.445 2.526 8.225 1.00 13.32 H new ATOM 0 HD13 LEU A 19 3.615 1.999 6.741 1.00 13.32 H new ATOM 0 HD21 LEU A 19 3.151 -0.872 7.697 1.00 20.24 H new ATOM 0 HD22 LEU A 19 3.787 -0.504 6.076 1.00 20.24 H new ATOM 0 HD23 LEU A 19 4.691 -1.587 7.162 1.00 20.24 H new ATOM 277 N PRO A 20 9.270 0.692 6.756 1.00 2.22 N ATOM 278 CA PRO A 20 10.379 0.479 5.852 1.00 42.12 C ATOM 279 C PRO A 20 9.828 0.130 4.470 1.00 35.45 C ATOM 280 O PRO A 20 8.933 -0.729 4.353 1.00 72.52 O ATOM 281 CB PRO A 20 11.129 -0.725 6.433 1.00 70.13 C ATOM 282 CG PRO A 20 10.580 -0.954 7.800 1.00 41.43 C ATOM 283 CD PRO A 20 9.261 -0.245 7.890 1.00 45.41 C ATOM 0 HA PRO A 20 11.022 1.353 5.752 1.00 42.12 H new ATOM 0 HB2 PRO A 20 10.989 -1.607 5.807 1.00 70.13 H new ATOM 0 HB3 PRO A 20 12.201 -0.530 6.474 1.00 70.13 H new ATOM 0 HG2 PRO A 20 10.454 -2.020 7.987 1.00 41.43 H new ATOM 0 HG3 PRO A 20 11.269 -0.577 8.556 1.00 41.43 H new ATOM 0 HD2 PRO A 20 8.428 -0.945 7.820 1.00 45.41 H new ATOM 0 HD3 PRO A 20 9.157 0.281 8.839 1.00 45.41 H new ATOM 291 N CYS A 21 10.351 0.756 3.434 1.00 31.32 N ATOM 292 CA CYS A 21 9.818 0.576 2.091 1.00 72.41 C ATOM 293 C CYS A 21 10.083 -0.857 1.602 1.00 55.15 C ATOM 294 O CYS A 21 9.435 -1.357 0.681 1.00 61.00 O ATOM 295 CB CYS A 21 10.417 1.609 1.130 1.00 70.31 C ATOM 296 SG CYS A 21 9.466 1.838 -0.401 1.00 32.53 S ATOM 0 H CYS A 21 11.144 1.394 3.493 1.00 31.32 H new ATOM 0 HA CYS A 21 8.740 0.732 2.117 1.00 72.41 H new ATOM 0 HB2 CYS A 21 10.493 2.567 1.645 1.00 70.31 H new ATOM 0 HB3 CYS A 21 11.431 1.304 0.873 1.00 70.31 H new ATOM 301 N SER A 22 11.018 -1.520 2.259 1.00 30.43 N ATOM 302 CA SER A 22 11.364 -2.885 1.969 1.00 25.00 C ATOM 303 C SER A 22 10.267 -3.845 2.473 1.00 63.22 C ATOM 304 O SER A 22 10.246 -5.012 2.114 1.00 60.43 O ATOM 305 CB SER A 22 12.730 -3.222 2.609 1.00 71.02 C ATOM 306 OG SER A 22 13.157 -4.547 2.309 1.00 24.24 O ATOM 0 H SER A 22 11.562 -1.112 3.019 1.00 30.43 H new ATOM 0 HA SER A 22 11.442 -3.010 0.889 1.00 25.00 H new ATOM 0 HB2 SER A 22 13.479 -2.513 2.256 1.00 71.02 H new ATOM 0 HB3 SER A 22 12.662 -3.101 3.690 1.00 71.02 H new ATOM 0 HG SER A 22 12.392 -5.075 1.999 1.00 24.24 H new ATOM 312 N ARG A 23 9.350 -3.348 3.304 1.00 22.54 N ATOM 313 CA ARG A 23 8.287 -4.194 3.817 1.00 44.04 C ATOM 314 C ARG A 23 7.013 -4.060 3.008 1.00 63.13 C ATOM 315 O ARG A 23 5.993 -4.663 3.344 1.00 54.54 O ATOM 316 CB ARG A 23 8.019 -3.961 5.305 1.00 24.34 C ATOM 317 CG ARG A 23 9.198 -4.310 6.185 1.00 64.30 C ATOM 318 CD ARG A 23 8.858 -4.191 7.655 1.00 31.33 C ATOM 319 NE ARG A 23 10.020 -4.480 8.497 1.00 12.44 N ATOM 320 CZ ARG A 23 9.974 -4.783 9.803 1.00 41.40 C ATOM 321 NH1 ARG A 23 8.802 -4.902 10.430 1.00 0.23 N ATOM 322 NH2 ARG A 23 11.102 -4.981 10.474 1.00 3.02 N ATOM 0 H ARG A 23 9.326 -2.381 3.628 1.00 22.54 H new ATOM 0 HA ARG A 23 8.641 -5.219 3.711 1.00 44.04 H new ATOM 0 HB2 ARG A 23 7.755 -2.915 5.460 1.00 24.34 H new ATOM 0 HB3 ARG A 23 7.158 -4.556 5.610 1.00 24.34 H new ATOM 0 HG2 ARG A 23 9.524 -5.327 5.969 1.00 64.30 H new ATOM 0 HG3 ARG A 23 10.034 -3.651 5.951 1.00 64.30 H new ATOM 0 HD2 ARG A 23 8.495 -3.185 7.866 1.00 31.33 H new ATOM 0 HD3 ARG A 23 8.049 -4.879 7.900 1.00 31.33 H new ATOM 0 HE ARG A 23 10.939 -4.448 8.055 1.00 12.44 H new ATOM 0 HH11 ARG A 23 7.932 -4.762 9.916 1.00 0.23 H new ATOM 0 HH12 ARG A 23 8.776 -5.133 11.423 1.00 0.23 H new ATOM 0 HH21 ARG A 23 12.000 -4.903 9.997 1.00 3.02 H new ATOM 0 HH22 ARG A 23 11.071 -5.212 11.467 1.00 3.02 H new ATOM 336 N ILE A 24 7.074 -3.290 1.947 1.00 22.53 N ATOM 337 CA ILE A 24 5.936 -3.110 1.063 1.00 11.20 C ATOM 338 C ILE A 24 5.832 -4.317 0.118 1.00 52.42 C ATOM 339 O ILE A 24 6.853 -4.822 -0.368 1.00 34.11 O ATOM 340 CB ILE A 24 6.089 -1.814 0.189 1.00 32.35 C ATOM 341 CG1 ILE A 24 6.169 -0.533 1.055 1.00 24.21 C ATOM 342 CG2 ILE A 24 4.937 -1.710 -0.813 1.00 41.24 C ATOM 343 CD1 ILE A 24 4.887 -0.164 1.777 1.00 12.31 C ATOM 0 H ILE A 24 7.907 -2.771 1.669 1.00 22.53 H new ATOM 0 HA ILE A 24 5.043 -3.017 1.681 1.00 11.20 H new ATOM 0 HB ILE A 24 7.030 -1.897 -0.354 1.00 32.35 H new ATOM 0 HG12 ILE A 24 6.960 -0.661 1.794 1.00 24.21 H new ATOM 0 HG13 ILE A 24 6.461 0.301 0.417 1.00 24.21 H new ATOM 0 HG21 ILE A 24 5.056 -0.807 -1.412 1.00 41.24 H new ATOM 0 HG22 ILE A 24 4.943 -2.582 -1.467 1.00 41.24 H new ATOM 0 HG23 ILE A 24 3.990 -1.666 -0.275 1.00 41.24 H new ATOM 0 HD11 ILE A 24 5.044 0.746 2.356 1.00 12.31 H new ATOM 0 HD12 ILE A 24 4.094 0.002 1.048 1.00 12.31 H new ATOM 0 HD13 ILE A 24 4.600 -0.975 2.447 1.00 12.31 H new ATOM 355 N LYS A 25 4.625 -4.801 -0.094 1.00 34.44 N ATOM 356 CA LYS A 25 4.385 -5.837 -1.068 1.00 23.12 C ATOM 357 C LYS A 25 3.642 -5.233 -2.250 1.00 14.31 C ATOM 358 O LYS A 25 4.160 -5.157 -3.361 1.00 14.43 O ATOM 359 CB LYS A 25 3.525 -6.940 -0.493 1.00 14.22 C ATOM 360 CG LYS A 25 3.337 -8.081 -1.474 1.00 10.42 C ATOM 361 CD LYS A 25 2.220 -9.015 -1.087 1.00 3.23 C ATOM 362 CE LYS A 25 2.446 -9.737 0.226 1.00 41.44 C ATOM 363 NZ LYS A 25 1.355 -10.716 0.492 1.00 35.35 N ATOM 0 H LYS A 25 3.791 -4.488 0.402 1.00 34.44 H new ATOM 0 HA LYS A 25 5.346 -6.254 -1.369 1.00 23.12 H new ATOM 0 HB2 LYS A 25 3.983 -7.319 0.421 1.00 14.22 H new ATOM 0 HB3 LYS A 25 2.552 -6.535 -0.217 1.00 14.22 H new ATOM 0 HG2 LYS A 25 3.134 -7.672 -2.464 1.00 10.42 H new ATOM 0 HG3 LYS A 25 4.266 -8.646 -1.547 1.00 10.42 H new ATOM 0 HD2 LYS A 25 1.292 -8.447 -1.022 1.00 3.23 H new ATOM 0 HD3 LYS A 25 2.088 -9.754 -1.878 1.00 3.23 H new ATOM 0 HE2 LYS A 25 3.405 -10.254 0.200 1.00 41.44 H new ATOM 0 HE3 LYS A 25 2.496 -9.013 1.039 1.00 41.44 H new ATOM 0 HZ1 LYS A 25 1.533 -11.197 1.397 1.00 35.35 H new ATOM 0 HZ2 LYS A 25 0.444 -10.216 0.539 1.00 35.35 H new ATOM 0 HZ3 LYS A 25 1.325 -11.419 -0.274 1.00 35.35 H new ATOM 377 N THR A 26 2.431 -4.794 -1.981 1.00 24.13 N ATOM 378 CA THR A 26 1.555 -4.218 -2.967 1.00 53.41 C ATOM 379 C THR A 26 0.728 -3.139 -2.288 1.00 72.13 C ATOM 380 O THR A 26 0.694 -3.074 -1.051 1.00 33.52 O ATOM 381 CB THR A 26 0.614 -5.304 -3.598 1.00 41.43 C ATOM 382 OG1 THR A 26 -0.246 -4.727 -4.591 1.00 2.04 O ATOM 383 CG2 THR A 26 -0.241 -5.984 -2.535 1.00 34.22 C ATOM 0 H THR A 26 2.023 -4.831 -1.047 1.00 24.13 H new ATOM 0 HA THR A 26 2.149 -3.794 -3.777 1.00 53.41 H new ATOM 0 HB THR A 26 1.258 -6.048 -4.066 1.00 41.43 H new ATOM 0 HG1 THR A 26 -0.821 -5.424 -4.970 1.00 2.04 H new ATOM 0 HG21 THR A 26 -0.881 -6.730 -3.006 1.00 34.22 H new ATOM 0 HG22 THR A 26 0.405 -6.469 -1.804 1.00 34.22 H new ATOM 0 HG23 THR A 26 -0.860 -5.239 -2.034 1.00 34.22 H new ATOM 391 N TYR A 27 0.085 -2.308 -3.059 1.00 24.14 N ATOM 392 CA TYR A 27 -0.723 -1.257 -2.517 1.00 43.12 C ATOM 393 C TYR A 27 -2.058 -1.211 -3.245 1.00 65.33 C ATOM 394 O TYR A 27 -2.215 -1.804 -4.317 1.00 23.20 O ATOM 395 CB TYR A 27 -0.019 0.113 -2.641 1.00 23.03 C ATOM 396 CG TYR A 27 0.159 0.586 -4.053 1.00 11.22 C ATOM 397 CD1 TYR A 27 -0.874 1.233 -4.694 1.00 31.43 C ATOM 398 CD2 TYR A 27 1.342 0.386 -4.746 1.00 14.20 C ATOM 399 CE1 TYR A 27 -0.762 1.670 -5.966 1.00 55.30 C ATOM 400 CE2 TYR A 27 1.467 0.828 -6.053 1.00 44.24 C ATOM 401 CZ TYR A 27 0.400 1.471 -6.655 1.00 33.22 C ATOM 402 OH TYR A 27 0.502 1.918 -7.952 1.00 35.03 O ATOM 0 H TYR A 27 0.107 -2.341 -4.078 1.00 24.14 H new ATOM 0 HA TYR A 27 -0.884 -1.464 -1.459 1.00 43.12 H new ATOM 0 HB2 TYR A 27 -0.595 0.856 -2.090 1.00 23.03 H new ATOM 0 HB3 TYR A 27 0.959 0.051 -2.164 1.00 23.03 H new ATOM 0 HD1 TYR A 27 -1.801 1.395 -4.163 1.00 31.43 H new ATOM 0 HD2 TYR A 27 2.169 -0.116 -4.266 1.00 14.20 H new ATOM 0 HE1 TYR A 27 -1.591 2.177 -6.438 1.00 55.30 H new ATOM 0 HE2 TYR A 27 2.387 0.672 -6.596 1.00 44.24 H new ATOM 0 HH TYR A 27 -0.063 2.710 -8.070 1.00 35.03 H new ATOM 412 N THR A 28 -2.989 -0.524 -2.668 1.00 14.05 N ATOM 413 CA THR A 28 -4.282 -0.317 -3.233 1.00 61.35 C ATOM 414 C THR A 28 -4.695 1.121 -2.963 1.00 74.03 C ATOM 415 O THR A 28 -4.817 1.519 -1.814 1.00 50.13 O ATOM 416 CB THR A 28 -5.304 -1.247 -2.574 1.00 70.32 C ATOM 417 OG1 THR A 28 -4.860 -2.617 -2.683 1.00 21.32 O ATOM 418 CG2 THR A 28 -6.680 -1.094 -3.213 1.00 13.24 C ATOM 0 H THR A 28 -2.866 -0.076 -1.760 1.00 14.05 H new ATOM 0 HA THR A 28 -4.247 -0.523 -4.303 1.00 61.35 H new ATOM 0 HB THR A 28 -5.387 -0.973 -1.522 1.00 70.32 H new ATOM 0 HG1 THR A 28 -5.516 -3.208 -2.259 1.00 21.32 H new ATOM 0 HG21 THR A 28 -7.385 -1.767 -2.724 1.00 13.24 H new ATOM 0 HG22 THR A 28 -7.022 -0.065 -3.099 1.00 13.24 H new ATOM 0 HG23 THR A 28 -6.618 -1.340 -4.273 1.00 13.24 H new ATOM 426 N ILE A 29 -4.886 1.883 -3.980 1.00 42.13 N ATOM 427 CA ILE A 29 -5.326 3.245 -3.803 1.00 61.13 C ATOM 428 C ILE A 29 -6.834 3.288 -3.893 1.00 51.44 C ATOM 429 O ILE A 29 -7.426 2.708 -4.804 1.00 2.45 O ATOM 430 CB ILE A 29 -4.683 4.226 -4.828 1.00 62.52 C ATOM 431 CG1 ILE A 29 -3.151 4.218 -4.676 1.00 32.41 C ATOM 432 CG2 ILE A 29 -5.232 5.650 -4.636 1.00 73.54 C ATOM 433 CD1 ILE A 29 -2.430 5.154 -5.611 1.00 42.24 C ATOM 0 H ILE A 29 -4.748 1.598 -4.950 1.00 42.13 H new ATOM 0 HA ILE A 29 -4.998 3.580 -2.819 1.00 61.13 H new ATOM 0 HB ILE A 29 -4.940 3.894 -5.834 1.00 62.52 H new ATOM 0 HG12 ILE A 29 -2.898 4.483 -3.649 1.00 32.41 H new ATOM 0 HG13 ILE A 29 -2.786 3.204 -4.843 1.00 32.41 H new ATOM 0 HG21 ILE A 29 -4.770 6.319 -5.362 1.00 73.54 H new ATOM 0 HG22 ILE A 29 -6.312 5.646 -4.782 1.00 73.54 H new ATOM 0 HG23 ILE A 29 -5.004 5.995 -3.628 1.00 73.54 H new ATOM 0 HD11 ILE A 29 -1.356 5.086 -5.437 1.00 42.24 H new ATOM 0 HD12 ILE A 29 -2.649 4.878 -6.642 1.00 42.24 H new ATOM 0 HD13 ILE A 29 -2.763 6.176 -5.430 1.00 42.24 H new ATOM 445 N THR A 30 -7.445 3.932 -2.949 1.00 13.03 N ATOM 446 CA THR A 30 -8.858 4.003 -2.892 1.00 50.31 C ATOM 447 C THR A 30 -9.290 5.442 -2.960 1.00 63.20 C ATOM 448 O THR A 30 -8.742 6.295 -2.250 1.00 33.33 O ATOM 449 CB THR A 30 -9.405 3.316 -1.615 1.00 21.11 C ATOM 450 OG1 THR A 30 -8.724 3.828 -0.446 1.00 24.41 O ATOM 451 CG2 THR A 30 -9.218 1.804 -1.685 1.00 3.14 C ATOM 0 H THR A 30 -6.967 4.424 -2.194 1.00 13.03 H new ATOM 0 HA THR A 30 -9.272 3.467 -3.746 1.00 50.31 H new ATOM 0 HB THR A 30 -10.471 3.535 -1.545 1.00 21.11 H new ATOM 0 HG1 THR A 30 -7.763 3.888 -0.627 1.00 24.41 H new ATOM 0 HG21 THR A 30 -9.610 1.346 -0.777 1.00 3.14 H new ATOM 0 HG22 THR A 30 -9.753 1.411 -2.550 1.00 3.14 H new ATOM 0 HG23 THR A 30 -8.157 1.573 -1.779 1.00 3.14 H new ATOM 459 N GLU A 31 -10.222 5.723 -3.829 1.00 20.23 N ATOM 460 CA GLU A 31 -10.726 7.053 -3.995 1.00 14.44 C ATOM 461 C GLU A 31 -12.232 7.044 -3.903 1.00 53.13 C ATOM 462 O GLU A 31 -12.902 6.209 -4.510 1.00 20.23 O ATOM 463 CB GLU A 31 -10.266 7.671 -5.314 1.00 21.24 C ATOM 464 CG GLU A 31 -8.757 7.820 -5.454 1.00 65.11 C ATOM 465 CD GLU A 31 -8.371 8.501 -6.738 1.00 63.31 C ATOM 466 OE1 GLU A 31 -8.311 9.754 -6.758 1.00 54.02 O ATOM 467 OE2 GLU A 31 -8.129 7.806 -7.741 1.00 3.34 O ATOM 0 H GLU A 31 -10.653 5.032 -4.443 1.00 20.23 H new ATOM 0 HA GLU A 31 -10.323 7.672 -3.193 1.00 14.44 H new ATOM 0 HB2 GLU A 31 -10.635 7.057 -6.136 1.00 21.24 H new ATOM 0 HB3 GLU A 31 -10.726 8.654 -5.419 1.00 21.24 H new ATOM 0 HG2 GLU A 31 -8.370 8.392 -4.611 1.00 65.11 H new ATOM 0 HG3 GLU A 31 -8.291 6.836 -5.412 1.00 65.11 H new ATOM 474 N GLY A 32 -12.742 7.965 -3.156 1.00 34.01 N ATOM 475 CA GLY A 32 -14.148 8.059 -2.906 1.00 0.32 C ATOM 476 C GLY A 32 -14.363 8.713 -1.580 1.00 4.23 C ATOM 477 O GLY A 32 -14.651 8.035 -0.588 1.00 0.22 O ATOM 0 H GLY A 32 -12.189 8.686 -2.693 1.00 34.01 H new ATOM 0 HA2 GLY A 32 -14.633 8.636 -3.694 1.00 0.32 H new ATOM 0 HA3 GLY A 32 -14.599 7.067 -2.914 1.00 0.32 H new ATOM 481 N SER A 33 -14.162 10.032 -1.554 1.00 32.04 N ATOM 482 CA SER A 33 -14.246 10.862 -0.350 1.00 72.03 C ATOM 483 C SER A 33 -13.034 10.655 0.576 1.00 64.31 C ATOM 484 O SER A 33 -12.401 11.620 1.000 1.00 30.13 O ATOM 485 CB SER A 33 -15.592 10.698 0.374 1.00 1.23 C ATOM 486 OG SER A 33 -16.666 11.075 -0.496 1.00 64.41 O ATOM 0 H SER A 33 -13.930 10.567 -2.391 1.00 32.04 H new ATOM 0 HA SER A 33 -14.206 11.902 -0.673 1.00 72.03 H new ATOM 0 HB2 SER A 33 -15.718 9.664 0.694 1.00 1.23 H new ATOM 0 HB3 SER A 33 -15.608 11.314 1.273 1.00 1.23 H new ATOM 0 HG SER A 33 -17.520 10.966 -0.028 1.00 64.41 H new ATOM 492 N LEU A 34 -12.706 9.417 0.857 1.00 2.21 N ATOM 493 CA LEU A 34 -11.551 9.102 1.653 1.00 54.23 C ATOM 494 C LEU A 34 -10.530 8.461 0.718 1.00 5.42 C ATOM 495 O LEU A 34 -10.768 7.369 0.175 1.00 61.00 O ATOM 496 CB LEU A 34 -11.950 8.141 2.822 1.00 4.43 C ATOM 497 CG LEU A 34 -10.929 7.890 3.968 1.00 72.33 C ATOM 498 CD1 LEU A 34 -11.552 7.021 5.043 1.00 45.34 C ATOM 499 CD2 LEU A 34 -9.634 7.249 3.493 1.00 61.32 C ATOM 0 H LEU A 34 -13.233 8.603 0.540 1.00 2.21 H new ATOM 0 HA LEU A 34 -11.125 9.994 2.112 1.00 54.23 H new ATOM 0 HB2 LEU A 34 -12.863 8.531 3.273 1.00 4.43 H new ATOM 0 HB3 LEU A 34 -12.199 7.174 2.384 1.00 4.43 H new ATOM 0 HG LEU A 34 -10.675 8.871 4.369 1.00 72.33 H new ATOM 0 HD11 LEU A 34 -10.828 6.852 5.840 1.00 45.34 H new ATOM 0 HD12 LEU A 34 -12.430 7.521 5.451 1.00 45.34 H new ATOM 0 HD13 LEU A 34 -11.847 6.064 4.612 1.00 45.34 H new ATOM 0 HD21 LEU A 34 -8.968 7.102 4.343 1.00 61.32 H new ATOM 0 HD22 LEU A 34 -9.852 6.285 3.033 1.00 61.32 H new ATOM 0 HD23 LEU A 34 -9.153 7.899 2.763 1.00 61.32 H new ATOM 511 N ARG A 35 -9.442 9.155 0.490 1.00 51.03 N ATOM 512 CA ARG A 35 -8.377 8.665 -0.351 1.00 2.32 C ATOM 513 C ARG A 35 -7.278 8.082 0.482 1.00 30.13 C ATOM 514 O ARG A 35 -6.616 8.785 1.259 1.00 53.45 O ATOM 515 CB ARG A 35 -7.838 9.761 -1.263 1.00 2.12 C ATOM 516 CG ARG A 35 -8.840 10.228 -2.283 1.00 42.52 C ATOM 517 CD ARG A 35 -8.296 11.365 -3.128 1.00 43.35 C ATOM 518 NE ARG A 35 -9.276 11.812 -4.121 1.00 4.30 N ATOM 519 CZ ARG A 35 -9.275 13.001 -4.734 1.00 71.42 C ATOM 520 NH1 ARG A 35 -8.310 13.886 -4.492 1.00 45.13 N ATOM 521 NH2 ARG A 35 -10.229 13.289 -5.606 1.00 42.14 N ATOM 0 H ARG A 35 -9.269 10.080 0.884 1.00 51.03 H new ATOM 0 HA ARG A 35 -8.787 7.880 -0.986 1.00 2.32 H new ATOM 0 HB2 ARG A 35 -7.525 10.610 -0.655 1.00 2.12 H new ATOM 0 HB3 ARG A 35 -6.950 9.393 -1.777 1.00 2.12 H new ATOM 0 HG2 ARG A 35 -9.116 9.395 -2.929 1.00 42.52 H new ATOM 0 HG3 ARG A 35 -9.749 10.554 -1.777 1.00 42.52 H new ATOM 0 HD2 ARG A 35 -8.023 12.200 -2.483 1.00 43.35 H new ATOM 0 HD3 ARG A 35 -7.386 11.041 -3.633 1.00 43.35 H new ATOM 0 HE ARG A 35 -10.022 11.161 -4.366 1.00 4.30 H new ATOM 0 HH11 ARG A 35 -7.564 13.660 -3.835 1.00 45.13 H new ATOM 0 HH12 ARG A 35 -8.317 14.790 -4.964 1.00 45.13 H new ATOM 0 HH21 ARG A 35 -10.959 12.606 -5.807 1.00 42.14 H new ATOM 0 HH22 ARG A 35 -10.234 14.194 -6.077 1.00 42.14 H new ATOM 535 N ALA A 36 -7.090 6.811 0.333 1.00 74.43 N ATOM 536 CA ALA A 36 -6.115 6.101 1.088 1.00 51.11 C ATOM 537 C ALA A 36 -5.423 5.095 0.228 1.00 1.13 C ATOM 538 O ALA A 36 -6.040 4.512 -0.665 1.00 43.51 O ATOM 539 CB ALA A 36 -6.792 5.383 2.223 1.00 13.15 C ATOM 0 H ALA A 36 -7.615 6.233 -0.323 1.00 74.43 H new ATOM 0 HA ALA A 36 -5.383 6.812 1.471 1.00 51.11 H new ATOM 0 HB1 ALA A 36 -6.048 4.838 2.804 1.00 13.15 H new ATOM 0 HB2 ALA A 36 -7.293 6.108 2.864 1.00 13.15 H new ATOM 0 HB3 ALA A 36 -7.526 4.682 1.824 1.00 13.15 H new ATOM 545 N VAL A 37 -4.164 4.904 0.458 1.00 0.13 N ATOM 546 CA VAL A 37 -3.446 3.882 -0.192 1.00 53.20 C ATOM 547 C VAL A 37 -3.141 2.789 0.834 1.00 63.04 C ATOM 548 O VAL A 37 -2.475 3.011 1.853 1.00 33.35 O ATOM 549 CB VAL A 37 -2.178 4.411 -0.892 1.00 22.24 C ATOM 550 CG1 VAL A 37 -1.290 5.140 0.064 1.00 2.22 C ATOM 551 CG2 VAL A 37 -1.432 3.287 -1.575 1.00 54.41 C ATOM 0 H VAL A 37 -3.611 5.462 1.108 1.00 0.13 H new ATOM 0 HA VAL A 37 -4.052 3.462 -0.995 1.00 53.20 H new ATOM 0 HB VAL A 37 -2.493 5.123 -1.655 1.00 22.24 H new ATOM 0 HG11 VAL A 37 -0.406 5.499 -0.462 1.00 2.22 H new ATOM 0 HG12 VAL A 37 -1.829 5.987 0.488 1.00 2.22 H new ATOM 0 HG13 VAL A 37 -0.986 4.466 0.865 1.00 2.22 H new ATOM 0 HG21 VAL A 37 -0.541 3.684 -2.062 1.00 54.41 H new ATOM 0 HG22 VAL A 37 -1.139 2.542 -0.835 1.00 54.41 H new ATOM 0 HG23 VAL A 37 -2.077 2.823 -2.321 1.00 54.41 H new ATOM 561 N ILE A 38 -3.680 1.651 0.595 1.00 33.23 N ATOM 562 CA ILE A 38 -3.599 0.553 1.504 1.00 73.44 C ATOM 563 C ILE A 38 -2.479 -0.372 1.062 1.00 20.05 C ATOM 564 O ILE A 38 -2.539 -0.958 -0.012 1.00 1.24 O ATOM 565 CB ILE A 38 -4.954 -0.199 1.517 1.00 3.32 C ATOM 566 CG1 ILE A 38 -6.082 0.817 1.689 1.00 62.41 C ATOM 567 CG2 ILE A 38 -5.018 -1.221 2.657 1.00 1.44 C ATOM 568 CD1 ILE A 38 -7.444 0.211 1.648 1.00 3.50 C ATOM 0 H ILE A 38 -4.203 1.445 -0.256 1.00 33.23 H new ATOM 0 HA ILE A 38 -3.387 0.910 2.512 1.00 73.44 H new ATOM 0 HB ILE A 38 -5.059 -0.736 0.574 1.00 3.32 H new ATOM 0 HG12 ILE A 38 -5.952 1.334 2.640 1.00 62.41 H new ATOM 0 HG13 ILE A 38 -6.005 1.569 0.904 1.00 62.41 H new ATOM 0 HG21 ILE A 38 -5.982 -1.730 2.636 1.00 1.44 H new ATOM 0 HG22 ILE A 38 -4.219 -1.952 2.535 1.00 1.44 H new ATOM 0 HG23 ILE A 38 -4.899 -0.709 3.612 1.00 1.44 H new ATOM 0 HD11 ILE A 38 -8.194 0.992 1.777 1.00 3.50 H new ATOM 0 HD12 ILE A 38 -7.594 -0.282 0.687 1.00 3.50 H new ATOM 0 HD13 ILE A 38 -7.541 -0.521 2.450 1.00 3.50 H new ATOM 580 N PHE A 39 -1.470 -0.475 1.874 1.00 21.14 N ATOM 581 CA PHE A 39 -0.319 -1.272 1.576 1.00 61.21 C ATOM 582 C PHE A 39 -0.398 -2.582 2.247 1.00 35.21 C ATOM 583 O PHE A 39 -0.690 -2.674 3.430 1.00 12.02 O ATOM 584 CB PHE A 39 0.976 -0.585 1.993 1.00 32.13 C ATOM 585 CG PHE A 39 1.328 0.588 1.167 1.00 34.31 C ATOM 586 CD1 PHE A 39 2.025 0.413 -0.007 1.00 73.42 C ATOM 587 CD2 PHE A 39 0.974 1.857 1.547 1.00 51.13 C ATOM 588 CE1 PHE A 39 2.363 1.478 -0.791 1.00 43.24 C ATOM 589 CE2 PHE A 39 1.305 2.930 0.766 1.00 31.53 C ATOM 590 CZ PHE A 39 2.004 2.735 -0.409 1.00 11.23 C ATOM 0 H PHE A 39 -1.423 -0.000 2.776 1.00 21.14 H new ATOM 0 HA PHE A 39 -0.310 -1.409 0.495 1.00 61.21 H new ATOM 0 HB2 PHE A 39 0.890 -0.271 3.033 1.00 32.13 H new ATOM 0 HB3 PHE A 39 1.790 -1.308 1.945 1.00 32.13 H new ATOM 0 HD1 PHE A 39 2.309 -0.583 -0.313 1.00 73.42 H new ATOM 0 HD2 PHE A 39 0.431 2.010 2.468 1.00 51.13 H new ATOM 0 HE1 PHE A 39 2.912 1.325 -1.709 1.00 43.24 H new ATOM 0 HE2 PHE A 39 1.020 3.927 1.067 1.00 31.53 H new ATOM 0 HZ PHE A 39 2.267 3.581 -1.026 1.00 11.23 H new ATOM 600 N ILE A 40 -0.150 -3.586 1.521 1.00 52.32 N ATOM 601 CA ILE A 40 -0.106 -4.866 2.084 1.00 0.02 C ATOM 602 C ILE A 40 1.356 -5.141 2.320 1.00 74.22 C ATOM 603 O ILE A 40 2.171 -4.977 1.401 1.00 72.13 O ATOM 604 CB ILE A 40 -0.698 -5.940 1.143 1.00 71.21 C ATOM 605 CG1 ILE A 40 -2.053 -5.472 0.558 1.00 20.43 C ATOM 606 CG2 ILE A 40 -0.894 -7.233 1.920 1.00 61.52 C ATOM 607 CD1 ILE A 40 -3.126 -5.159 1.597 1.00 14.42 C ATOM 0 H ILE A 40 0.029 -3.548 0.518 1.00 52.32 H new ATOM 0 HA ILE A 40 -0.700 -4.906 2.997 1.00 0.02 H new ATOM 0 HB ILE A 40 -0.006 -6.104 0.317 1.00 71.21 H new ATOM 0 HG12 ILE A 40 -1.883 -4.582 -0.047 1.00 20.43 H new ATOM 0 HG13 ILE A 40 -2.430 -6.245 -0.111 1.00 20.43 H new ATOM 0 HG21 ILE A 40 -1.311 -7.994 1.261 1.00 61.52 H new ATOM 0 HG22 ILE A 40 0.066 -7.575 2.306 1.00 61.52 H new ATOM 0 HG23 ILE A 40 -1.578 -7.058 2.751 1.00 61.52 H new ATOM 0 HD11 ILE A 40 -4.038 -4.840 1.093 1.00 14.42 H new ATOM 0 HD12 ILE A 40 -3.331 -6.051 2.188 1.00 14.42 H new ATOM 0 HD13 ILE A 40 -2.776 -4.362 2.253 1.00 14.42 H new ATOM 619 N THR A 41 1.704 -5.489 3.518 1.00 13.12 N ATOM 620 CA THR A 41 3.078 -5.718 3.839 1.00 64.25 C ATOM 621 C THR A 41 3.469 -7.154 3.402 1.00 54.43 C ATOM 622 O THR A 41 2.586 -7.960 3.060 1.00 72.13 O ATOM 623 CB THR A 41 3.348 -5.458 5.359 1.00 23.11 C ATOM 624 OG1 THR A 41 4.750 -5.474 5.630 1.00 51.20 O ATOM 625 CG2 THR A 41 2.662 -6.499 6.230 1.00 44.14 C ATOM 0 H THR A 41 1.054 -5.621 4.293 1.00 13.12 H new ATOM 0 HA THR A 41 3.708 -5.015 3.294 1.00 64.25 H new ATOM 0 HB THR A 41 2.940 -4.476 5.597 1.00 23.11 H new ATOM 0 HG1 THR A 41 5.241 -5.189 4.831 1.00 51.20 H new ATOM 0 HG21 THR A 41 2.870 -6.289 7.279 1.00 44.14 H new ATOM 0 HG22 THR A 41 1.586 -6.464 6.059 1.00 44.14 H new ATOM 0 HG23 THR A 41 3.038 -7.490 5.977 1.00 44.14 H new ATOM 633 N LYS A 42 4.761 -7.477 3.419 1.00 2.14 N ATOM 634 CA LYS A 42 5.246 -8.780 2.929 1.00 54.31 C ATOM 635 C LYS A 42 4.729 -9.945 3.755 1.00 31.14 C ATOM 636 O LYS A 42 4.677 -11.071 3.281 1.00 30.30 O ATOM 637 CB LYS A 42 6.764 -8.828 2.846 1.00 44.11 C ATOM 638 CG LYS A 42 7.360 -7.766 1.947 1.00 33.21 C ATOM 639 CD LYS A 42 8.859 -7.942 1.771 1.00 61.33 C ATOM 640 CE LYS A 42 9.616 -7.924 3.086 1.00 14.25 C ATOM 641 NZ LYS A 42 11.067 -7.993 2.860 1.00 3.44 N ATOM 0 H LYS A 42 5.495 -6.860 3.765 1.00 2.14 H new ATOM 0 HA LYS A 42 4.843 -8.885 1.922 1.00 54.31 H new ATOM 0 HB2 LYS A 42 7.177 -8.716 3.848 1.00 44.11 H new ATOM 0 HB3 LYS A 42 7.068 -9.810 2.484 1.00 44.11 H new ATOM 0 HG2 LYS A 42 6.874 -7.803 0.972 1.00 33.21 H new ATOM 0 HG3 LYS A 42 7.158 -6.781 2.367 1.00 33.21 H new ATOM 0 HD2 LYS A 42 9.051 -8.886 1.260 1.00 61.33 H new ATOM 0 HD3 LYS A 42 9.240 -7.148 1.128 1.00 61.33 H new ATOM 0 HE2 LYS A 42 9.373 -7.015 3.637 1.00 14.25 H new ATOM 0 HE3 LYS A 42 9.300 -8.765 3.703 1.00 14.25 H new ATOM 0 HZ1 LYS A 42 11.562 -7.979 3.775 1.00 3.44 H new ATOM 0 HZ2 LYS A 42 11.298 -8.872 2.355 1.00 3.44 H new ATOM 0 HZ3 LYS A 42 11.369 -7.177 2.291 1.00 3.44 H new ATOM 655 N ARG A 43 4.339 -9.666 4.970 1.00 13.42 N ATOM 656 CA ARG A 43 3.780 -10.677 5.835 1.00 12.52 C ATOM 657 C ARG A 43 2.333 -11.009 5.416 1.00 42.24 C ATOM 658 O ARG A 43 1.785 -12.044 5.790 1.00 31.14 O ATOM 659 CB ARG A 43 3.819 -10.199 7.285 1.00 34.23 C ATOM 660 CG ARG A 43 3.270 -11.200 8.263 1.00 63.42 C ATOM 661 CD ARG A 43 3.288 -10.676 9.664 1.00 61.31 C ATOM 662 NE ARG A 43 2.714 -11.635 10.594 1.00 74.21 N ATOM 663 CZ ARG A 43 2.765 -11.538 11.923 1.00 2.30 C ATOM 664 NH1 ARG A 43 3.437 -10.538 12.502 1.00 33.42 N ATOM 665 NH2 ARG A 43 2.161 -12.451 12.669 1.00 73.35 N ATOM 0 H ARG A 43 4.398 -8.738 5.389 1.00 13.42 H new ATOM 0 HA ARG A 43 4.377 -11.585 5.746 1.00 12.52 H new ATOM 0 HB2 ARG A 43 4.849 -9.967 7.555 1.00 34.23 H new ATOM 0 HB3 ARG A 43 3.251 -9.272 7.369 1.00 34.23 H new ATOM 0 HG2 ARG A 43 2.248 -11.457 7.984 1.00 63.42 H new ATOM 0 HG3 ARG A 43 3.856 -12.118 8.211 1.00 63.42 H new ATOM 0 HD2 ARG A 43 4.313 -10.451 9.957 1.00 61.31 H new ATOM 0 HD3 ARG A 43 2.730 -9.741 9.712 1.00 61.31 H new ATOM 0 HE ARG A 43 2.235 -12.445 10.199 1.00 74.21 H new ATOM 0 HH11 ARG A 43 3.914 -9.844 11.927 1.00 33.42 H new ATOM 0 HH12 ARG A 43 3.472 -10.469 13.519 1.00 33.42 H new ATOM 0 HH21 ARG A 43 1.661 -13.222 12.226 1.00 73.35 H new ATOM 0 HH22 ARG A 43 2.196 -12.383 13.686 1.00 73.35 H new ATOM 679 N GLY A 44 1.734 -10.142 4.630 1.00 24.31 N ATOM 680 CA GLY A 44 0.376 -10.370 4.191 1.00 20.41 C ATOM 681 C GLY A 44 -0.632 -9.599 5.004 1.00 33.13 C ATOM 682 O GLY A 44 -1.832 -9.808 4.876 1.00 74.04 O ATOM 0 H GLY A 44 2.160 -9.282 4.285 1.00 24.31 H new ATOM 0 HA2 GLY A 44 0.285 -10.087 3.142 1.00 20.41 H new ATOM 0 HA3 GLY A 44 0.151 -11.435 4.255 1.00 20.41 H new ATOM 686 N LEU A 45 -0.146 -8.712 5.850 1.00 32.33 N ATOM 687 CA LEU A 45 -1.020 -7.884 6.645 1.00 71.42 C ATOM 688 C LEU A 45 -1.335 -6.631 5.903 1.00 11.24 C ATOM 689 O LEU A 45 -0.511 -6.124 5.136 1.00 43.52 O ATOM 690 CB LEU A 45 -0.413 -7.562 7.993 1.00 1.34 C ATOM 691 CG LEU A 45 -0.104 -8.754 8.872 1.00 62.53 C ATOM 692 CD1 LEU A 45 0.483 -8.289 10.175 1.00 12.25 C ATOM 693 CD2 LEU A 45 -1.346 -9.604 9.113 1.00 73.32 C ATOM 0 H LEU A 45 0.849 -8.549 6.002 1.00 32.33 H new ATOM 0 HA LEU A 45 -1.940 -8.439 6.828 1.00 71.42 H new ATOM 0 HB2 LEU A 45 0.509 -7.003 7.832 1.00 1.34 H new ATOM 0 HB3 LEU A 45 -1.095 -6.904 8.531 1.00 1.34 H new ATOM 0 HG LEU A 45 0.625 -9.380 8.357 1.00 62.53 H new ATOM 0 HD11 LEU A 45 0.703 -9.152 10.803 1.00 12.25 H new ATOM 0 HD12 LEU A 45 1.402 -7.736 9.983 1.00 12.25 H new ATOM 0 HD13 LEU A 45 -0.230 -7.641 10.685 1.00 12.25 H new ATOM 0 HD21 LEU A 45 -1.089 -10.452 9.748 1.00 73.32 H new ATOM 0 HD22 LEU A 45 -2.110 -9.001 9.604 1.00 73.32 H new ATOM 0 HD23 LEU A 45 -1.729 -9.968 8.159 1.00 73.32 H new ATOM 705 N LYS A 46 -2.491 -6.133 6.134 1.00 33.01 N ATOM 706 CA LYS A 46 -2.984 -4.994 5.419 1.00 43.24 C ATOM 707 C LYS A 46 -2.850 -3.720 6.253 1.00 13.33 C ATOM 708 O LYS A 46 -3.405 -3.590 7.358 1.00 65.52 O ATOM 709 CB LYS A 46 -4.418 -5.286 4.954 1.00 53.21 C ATOM 710 CG LYS A 46 -5.391 -5.547 6.082 1.00 15.11 C ATOM 711 CD LYS A 46 -6.558 -6.428 5.648 1.00 40.35 C ATOM 712 CE LYS A 46 -7.336 -5.848 4.478 1.00 32.03 C ATOM 713 NZ LYS A 46 -8.478 -6.715 4.098 1.00 23.30 N ATOM 0 H LYS A 46 -3.138 -6.502 6.831 1.00 33.01 H new ATOM 0 HA LYS A 46 -2.382 -4.812 4.529 1.00 43.24 H new ATOM 0 HB2 LYS A 46 -4.777 -4.441 4.367 1.00 53.21 H new ATOM 0 HB3 LYS A 46 -4.405 -6.152 4.292 1.00 53.21 H new ATOM 0 HG2 LYS A 46 -4.866 -6.025 6.909 1.00 15.11 H new ATOM 0 HG3 LYS A 46 -5.775 -4.597 6.455 1.00 15.11 H new ATOM 0 HD2 LYS A 46 -6.180 -7.413 5.374 1.00 40.35 H new ATOM 0 HD3 LYS A 46 -7.233 -6.569 6.492 1.00 40.35 H new ATOM 0 HE2 LYS A 46 -7.703 -4.856 4.741 1.00 32.03 H new ATOM 0 HE3 LYS A 46 -6.671 -5.726 3.623 1.00 32.03 H new ATOM 0 HZ1 LYS A 46 -8.935 -6.334 3.245 1.00 23.30 H new ATOM 0 HZ2 LYS A 46 -8.134 -7.677 3.906 1.00 23.30 H new ATOM 0 HZ3 LYS A 46 -9.167 -6.743 4.877 1.00 23.30 H new ATOM 727 N VAL A 47 -2.091 -2.814 5.733 1.00 33.42 N ATOM 728 CA VAL A 47 -1.782 -1.557 6.385 1.00 23.13 C ATOM 729 C VAL A 47 -2.355 -0.417 5.550 1.00 63.30 C ATOM 730 O VAL A 47 -2.436 -0.527 4.355 1.00 72.30 O ATOM 731 CB VAL A 47 -0.229 -1.384 6.523 1.00 73.22 C ATOM 732 CG1 VAL A 47 0.148 -0.075 7.204 1.00 11.33 C ATOM 733 CG2 VAL A 47 0.387 -2.568 7.267 1.00 62.40 C ATOM 0 H VAL A 47 -1.650 -2.917 4.819 1.00 33.42 H new ATOM 0 HA VAL A 47 -2.222 -1.547 7.382 1.00 23.13 H new ATOM 0 HB VAL A 47 0.177 -1.353 5.512 1.00 73.22 H new ATOM 0 HG11 VAL A 47 1.233 -0.002 7.276 1.00 11.33 H new ATOM 0 HG12 VAL A 47 -0.234 0.762 6.620 1.00 11.33 H new ATOM 0 HG13 VAL A 47 -0.285 -0.047 8.204 1.00 11.33 H new ATOM 0 HG21 VAL A 47 1.464 -2.425 7.350 1.00 62.40 H new ATOM 0 HG22 VAL A 47 -0.048 -2.637 8.264 1.00 62.40 H new ATOM 0 HG23 VAL A 47 0.184 -3.488 6.718 1.00 62.40 H new ATOM 743 N CYS A 48 -2.751 0.654 6.162 1.00 45.40 N ATOM 744 CA CYS A 48 -3.275 1.764 5.408 1.00 50.20 C ATOM 745 C CYS A 48 -2.450 2.996 5.698 1.00 43.40 C ATOM 746 O CYS A 48 -2.122 3.275 6.865 1.00 70.05 O ATOM 747 CB CYS A 48 -4.732 2.009 5.741 1.00 30.32 C ATOM 748 SG CYS A 48 -5.469 3.371 4.799 1.00 32.33 S ATOM 0 H CYS A 48 -2.725 0.790 7.173 1.00 45.40 H new ATOM 0 HA CYS A 48 -3.216 1.529 4.345 1.00 50.20 H new ATOM 0 HB2 CYS A 48 -5.298 1.097 5.550 1.00 30.32 H new ATOM 0 HB3 CYS A 48 -4.822 2.223 6.806 1.00 30.32 H new ATOM 753 N ALA A 49 -2.109 3.717 4.658 1.00 55.13 N ATOM 754 CA ALA A 49 -1.231 4.852 4.750 1.00 53.23 C ATOM 755 C ALA A 49 -1.775 6.030 3.964 1.00 5.25 C ATOM 756 O ALA A 49 -2.546 5.855 3.008 1.00 54.22 O ATOM 757 CB ALA A 49 0.150 4.473 4.260 1.00 45.12 C ATOM 0 H ALA A 49 -2.439 3.527 3.712 1.00 55.13 H new ATOM 0 HA ALA A 49 -1.165 5.156 5.795 1.00 53.23 H new ATOM 0 HB1 ALA A 49 0.811 5.337 4.332 1.00 45.12 H new ATOM 0 HB2 ALA A 49 0.544 3.662 4.873 1.00 45.12 H new ATOM 0 HB3 ALA A 49 0.091 4.147 3.222 1.00 45.12 H new ATOM 763 N ASP A 50 -1.409 7.224 4.390 1.00 32.42 N ATOM 764 CA ASP A 50 -1.835 8.451 3.727 1.00 43.51 C ATOM 765 C ASP A 50 -1.052 8.648 2.434 1.00 2.22 C ATOM 766 O ASP A 50 0.166 8.772 2.461 1.00 23.35 O ATOM 767 CB ASP A 50 -1.624 9.657 4.654 1.00 50.20 C ATOM 768 CG ASP A 50 -1.920 10.986 3.990 1.00 51.03 C ATOM 769 OD1 ASP A 50 -3.091 11.246 3.638 1.00 52.30 O ATOM 770 OD2 ASP A 50 -0.994 11.801 3.850 1.00 42.22 O ATOM 0 H ASP A 50 -0.810 7.375 5.202 1.00 32.42 H new ATOM 0 HA ASP A 50 -2.896 8.369 3.491 1.00 43.51 H new ATOM 0 HB2 ASP A 50 -2.262 9.548 5.531 1.00 50.20 H new ATOM 0 HB3 ASP A 50 -0.593 9.658 5.008 1.00 50.20 H new ATOM 775 N PRO A 51 -1.755 8.705 1.283 1.00 64.25 N ATOM 776 CA PRO A 51 -1.129 8.812 -0.054 1.00 44.23 C ATOM 777 C PRO A 51 -0.397 10.134 -0.274 1.00 41.12 C ATOM 778 O PRO A 51 0.311 10.309 -1.267 1.00 3.32 O ATOM 779 CB PRO A 51 -2.319 8.703 -1.015 1.00 60.01 C ATOM 780 CG PRO A 51 -3.496 9.128 -0.212 1.00 50.22 C ATOM 781 CD PRO A 51 -3.227 8.669 1.189 1.00 75.50 C ATOM 0 HA PRO A 51 -0.366 8.046 -0.194 1.00 44.23 H new ATOM 0 HB2 PRO A 51 -2.183 9.343 -1.887 1.00 60.01 H new ATOM 0 HB3 PRO A 51 -2.438 7.684 -1.383 1.00 60.01 H new ATOM 0 HG2 PRO A 51 -3.625 10.210 -0.250 1.00 50.22 H new ATOM 0 HG3 PRO A 51 -4.413 8.684 -0.599 1.00 50.22 H new ATOM 0 HD2 PRO A 51 -3.693 9.326 1.924 1.00 75.50 H new ATOM 0 HD3 PRO A 51 -3.617 7.666 1.365 1.00 75.50 H new ATOM 789 N GLN A 52 -0.561 11.039 0.653 1.00 24.14 N ATOM 790 CA GLN A 52 -0.006 12.349 0.547 1.00 32.31 C ATOM 791 C GLN A 52 1.375 12.392 1.221 1.00 22.41 C ATOM 792 O GLN A 52 2.157 13.329 1.008 1.00 14.13 O ATOM 793 CB GLN A 52 -0.974 13.337 1.180 1.00 44.23 C ATOM 794 CG GLN A 52 -2.387 13.232 0.608 1.00 41.11 C ATOM 795 CD GLN A 52 -3.371 14.176 1.260 1.00 2.41 C ATOM 796 OE1 GLN A 52 -3.567 15.300 0.808 1.00 74.22 O ATOM 797 NE2 GLN A 52 -3.983 13.738 2.330 1.00 25.21 N ATOM 0 H GLN A 52 -1.091 10.879 1.510 1.00 24.14 H new ATOM 0 HA GLN A 52 0.137 12.620 -0.499 1.00 32.31 H new ATOM 0 HB2 GLN A 52 -1.009 13.166 2.256 1.00 44.23 H new ATOM 0 HB3 GLN A 52 -0.601 14.350 1.031 1.00 44.23 H new ATOM 0 HG2 GLN A 52 -2.354 13.436 -0.462 1.00 41.11 H new ATOM 0 HG3 GLN A 52 -2.744 12.209 0.726 1.00 41.11 H new ATOM 0 HE21 GLN A 52 -3.794 12.797 2.676 1.00 25.21 H new ATOM 0 HE22 GLN A 52 -4.649 14.337 2.818 1.00 25.21 H new ATOM 806 N ALA A 53 1.670 11.361 2.008 1.00 10.44 N ATOM 807 CA ALA A 53 2.947 11.226 2.697 1.00 24.41 C ATOM 808 C ALA A 53 4.053 10.962 1.704 1.00 22.00 C ATOM 809 O ALA A 53 3.883 10.183 0.768 1.00 63.33 O ATOM 810 CB ALA A 53 2.868 10.121 3.732 1.00 12.45 C ATOM 0 H ALA A 53 1.025 10.591 2.186 1.00 10.44 H new ATOM 0 HA ALA A 53 3.172 12.160 3.213 1.00 24.41 H new ATOM 0 HB1 ALA A 53 3.828 10.029 4.240 1.00 12.45 H new ATOM 0 HB2 ALA A 53 2.093 10.359 4.460 1.00 12.45 H new ATOM 0 HB3 ALA A 53 2.626 9.179 3.240 1.00 12.45 H new ATOM 816 N THR A 54 5.181 11.604 1.915 1.00 2.54 N ATOM 817 CA THR A 54 6.312 11.528 1.016 1.00 0.24 C ATOM 818 C THR A 54 6.809 10.096 0.871 1.00 23.41 C ATOM 819 O THR A 54 7.147 9.649 -0.232 1.00 41.22 O ATOM 820 CB THR A 54 7.467 12.406 1.532 1.00 2.11 C ATOM 821 OG1 THR A 54 6.991 13.741 1.757 1.00 33.32 O ATOM 822 CG2 THR A 54 8.616 12.443 0.533 1.00 24.32 C ATOM 0 H THR A 54 5.341 12.201 2.726 1.00 2.54 H new ATOM 0 HA THR A 54 5.979 11.887 0.042 1.00 0.24 H new ATOM 0 HB THR A 54 7.833 11.976 2.465 1.00 2.11 H new ATOM 0 HG1 THR A 54 7.726 14.299 2.087 1.00 33.32 H new ATOM 0 HG21 THR A 54 9.417 13.070 0.923 1.00 24.32 H new ATOM 0 HG22 THR A 54 8.991 11.432 0.373 1.00 24.32 H new ATOM 0 HG23 THR A 54 8.263 12.853 -0.413 1.00 24.32 H new ATOM 830 N TRP A 55 6.808 9.367 1.972 1.00 22.21 N ATOM 831 CA TRP A 55 7.328 8.001 1.958 1.00 23.32 C ATOM 832 C TRP A 55 6.388 7.103 1.187 1.00 44.11 C ATOM 833 O TRP A 55 6.801 6.168 0.503 1.00 3.01 O ATOM 834 CB TRP A 55 7.566 7.468 3.381 1.00 63.02 C ATOM 835 CG TRP A 55 6.349 7.345 4.238 1.00 64.13 C ATOM 836 CD1 TRP A 55 5.744 8.328 4.916 1.00 74.51 C ATOM 837 CD2 TRP A 55 5.616 6.159 4.519 1.00 60.02 C ATOM 838 NE1 TRP A 55 4.675 7.850 5.609 1.00 24.24 N ATOM 839 CE2 TRP A 55 4.570 6.518 5.380 1.00 31.24 C ATOM 840 CE3 TRP A 55 5.742 4.834 4.124 1.00 63.14 C ATOM 841 CZ2 TRP A 55 3.657 5.612 5.852 1.00 3.33 C ATOM 842 CZ3 TRP A 55 4.824 3.918 4.594 1.00 31.42 C ATOM 843 CH2 TRP A 55 3.792 4.316 5.455 1.00 61.23 C ATOM 0 H TRP A 55 6.460 9.686 2.876 1.00 22.21 H new ATOM 0 HA TRP A 55 8.297 8.008 1.458 1.00 23.32 H new ATOM 0 HB2 TRP A 55 8.037 6.488 3.308 1.00 63.02 H new ATOM 0 HB3 TRP A 55 8.276 8.126 3.882 1.00 63.02 H new ATOM 0 HD1 TRP A 55 6.061 9.360 4.913 1.00 74.51 H new ATOM 0 HE1 TRP A 55 4.056 8.402 6.202 1.00 24.24 H new ATOM 0 HE3 TRP A 55 6.540 4.528 3.464 1.00 63.14 H new ATOM 0 HZ2 TRP A 55 2.859 5.914 6.515 1.00 3.33 H new ATOM 0 HZ3 TRP A 55 4.901 2.883 4.295 1.00 31.42 H new ATOM 0 HH2 TRP A 55 3.088 3.579 5.812 1.00 61.23 H new ATOM 854 N VAL A 56 5.133 7.431 1.277 1.00 22.10 N ATOM 855 CA VAL A 56 4.112 6.729 0.590 1.00 3.35 C ATOM 856 C VAL A 56 4.200 6.998 -0.885 1.00 75.34 C ATOM 857 O VAL A 56 4.233 6.060 -1.675 1.00 63.32 O ATOM 858 CB VAL A 56 2.728 7.109 1.118 1.00 12.02 C ATOM 859 CG1 VAL A 56 1.659 6.531 0.251 1.00 11.41 C ATOM 860 CG2 VAL A 56 2.557 6.616 2.531 1.00 61.44 C ATOM 0 H VAL A 56 4.793 8.209 1.842 1.00 22.10 H new ATOM 0 HA VAL A 56 4.257 5.663 0.765 1.00 3.35 H new ATOM 0 HB VAL A 56 2.643 8.196 1.104 1.00 12.02 H new ATOM 0 HG11 VAL A 56 0.681 6.812 0.643 1.00 11.41 H new ATOM 0 HG12 VAL A 56 1.767 6.914 -0.764 1.00 11.41 H new ATOM 0 HG13 VAL A 56 1.747 5.445 0.240 1.00 11.41 H new ATOM 0 HG21 VAL A 56 1.568 6.893 2.896 1.00 61.44 H new ATOM 0 HG22 VAL A 56 2.662 5.531 2.553 1.00 61.44 H new ATOM 0 HG23 VAL A 56 3.318 7.067 3.168 1.00 61.44 H new ATOM 870 N ARG A 57 4.278 8.282 -1.251 1.00 31.33 N ATOM 871 CA ARG A 57 4.369 8.680 -2.656 1.00 55.32 C ATOM 872 C ARG A 57 5.553 8.012 -3.305 1.00 25.31 C ATOM 873 O ARG A 57 5.516 7.657 -4.465 1.00 32.10 O ATOM 874 CB ARG A 57 4.496 10.199 -2.816 1.00 43.51 C ATOM 875 CG ARG A 57 3.355 10.994 -2.223 1.00 34.55 C ATOM 876 CD ARG A 57 3.480 12.459 -2.578 1.00 61.25 C ATOM 877 NE ARG A 57 2.430 13.280 -1.967 1.00 32.52 N ATOM 878 CZ ARG A 57 1.461 13.916 -2.645 1.00 31.53 C ATOM 879 NH1 ARG A 57 1.282 13.686 -3.948 1.00 3.13 N ATOM 880 NH2 ARG A 57 0.643 14.753 -2.007 1.00 60.42 N ATOM 0 H ARG A 57 4.280 9.061 -0.593 1.00 31.33 H new ATOM 0 HA ARG A 57 3.446 8.365 -3.142 1.00 55.32 H new ATOM 0 HB2 ARG A 57 5.427 10.523 -2.351 1.00 43.51 H new ATOM 0 HB3 ARG A 57 4.571 10.434 -3.878 1.00 43.51 H new ATOM 0 HG2 ARG A 57 2.405 10.606 -2.591 1.00 34.55 H new ATOM 0 HG3 ARG A 57 3.349 10.877 -1.139 1.00 34.55 H new ATOM 0 HD2 ARG A 57 4.455 12.825 -2.256 1.00 61.25 H new ATOM 0 HD3 ARG A 57 3.439 12.571 -3.661 1.00 61.25 H new ATOM 0 HE ARG A 57 2.436 13.375 -0.951 1.00 32.52 H new ATOM 0 HH11 ARG A 57 1.884 13.023 -4.436 1.00 3.13 H new ATOM 0 HH12 ARG A 57 0.543 14.174 -4.455 1.00 3.13 H new ATOM 0 HH21 ARG A 57 0.754 14.910 -1.005 1.00 60.42 H new ATOM 0 HH22 ARG A 57 -0.094 15.237 -2.521 1.00 60.42 H new ATOM 894 N ASP A 58 6.590 7.832 -2.528 1.00 51.13 N ATOM 895 CA ASP A 58 7.796 7.185 -2.987 1.00 63.20 C ATOM 896 C ASP A 58 7.626 5.669 -3.165 1.00 11.34 C ATOM 897 O ASP A 58 8.021 5.120 -4.182 1.00 64.11 O ATOM 898 CB ASP A 58 8.956 7.491 -2.050 1.00 72.14 C ATOM 899 CG ASP A 58 10.222 6.774 -2.436 1.00 12.25 C ATOM 900 OD1 ASP A 58 10.875 7.176 -3.428 1.00 24.12 O ATOM 901 OD2 ASP A 58 10.584 5.797 -1.755 1.00 74.30 O ATOM 0 H ASP A 58 6.623 8.131 -1.553 1.00 51.13 H new ATOM 0 HA ASP A 58 8.018 7.593 -3.973 1.00 63.20 H new ATOM 0 HB2 ASP A 58 9.139 8.565 -2.045 1.00 72.14 H new ATOM 0 HB3 ASP A 58 8.680 7.210 -1.034 1.00 72.14 H new ATOM 906 N CYS A 59 7.011 4.998 -2.204 1.00 23.51 N ATOM 907 CA CYS A 59 6.873 3.536 -2.293 1.00 51.40 C ATOM 908 C CYS A 59 5.767 3.099 -3.218 1.00 60.24 C ATOM 909 O CYS A 59 5.904 2.091 -3.930 1.00 51.23 O ATOM 910 CB CYS A 59 6.678 2.920 -0.952 1.00 70.51 C ATOM 911 SG CYS A 59 8.057 3.187 0.185 1.00 70.02 S ATOM 0 H CYS A 59 6.605 5.421 -1.369 1.00 23.51 H new ATOM 0 HA CYS A 59 7.813 3.183 -2.716 1.00 51.40 H new ATOM 0 HB2 CYS A 59 5.769 3.324 -0.506 1.00 70.51 H new ATOM 0 HB3 CYS A 59 6.523 1.848 -1.075 1.00 70.51 H new ATOM 916 N VAL A 60 4.681 3.853 -3.236 1.00 63.11 N ATOM 917 CA VAL A 60 3.554 3.566 -4.107 1.00 30.14 C ATOM 918 C VAL A 60 4.056 3.708 -5.562 1.00 52.42 C ATOM 919 O VAL A 60 3.551 3.097 -6.492 1.00 41.44 O ATOM 920 CB VAL A 60 2.345 4.531 -3.809 1.00 52.23 C ATOM 921 CG1 VAL A 60 2.548 5.913 -4.353 1.00 14.31 C ATOM 922 CG2 VAL A 60 1.035 3.982 -4.270 1.00 74.31 C ATOM 0 H VAL A 60 4.556 4.678 -2.650 1.00 63.11 H new ATOM 0 HA VAL A 60 3.181 2.556 -3.936 1.00 30.14 H new ATOM 0 HB VAL A 60 2.313 4.605 -2.722 1.00 52.23 H new ATOM 0 HG11 VAL A 60 1.681 6.529 -4.115 1.00 14.31 H new ATOM 0 HG12 VAL A 60 3.439 6.353 -3.906 1.00 14.31 H new ATOM 0 HG13 VAL A 60 2.672 5.864 -5.435 1.00 14.31 H new ATOM 0 HG21 VAL A 60 0.241 4.691 -4.037 1.00 74.31 H new ATOM 0 HG22 VAL A 60 1.069 3.816 -5.347 1.00 74.31 H new ATOM 0 HG23 VAL A 60 0.838 3.037 -3.763 1.00 74.31 H new ATOM 932 N ARG A 61 5.094 4.519 -5.702 1.00 65.21 N ATOM 933 CA ARG A 61 5.745 4.781 -6.942 1.00 35.20 C ATOM 934 C ARG A 61 6.771 3.690 -7.233 1.00 73.14 C ATOM 935 O ARG A 61 6.853 3.191 -8.342 1.00 50.23 O ATOM 936 CB ARG A 61 6.434 6.126 -6.843 1.00 22.24 C ATOM 937 CG ARG A 61 7.302 6.460 -8.000 1.00 23.55 C ATOM 938 CD ARG A 61 7.945 7.821 -7.836 1.00 64.31 C ATOM 939 NE ARG A 61 8.812 7.924 -6.637 1.00 13.31 N ATOM 940 CZ ARG A 61 9.195 9.094 -6.090 1.00 34.41 C ATOM 941 NH1 ARG A 61 8.757 10.238 -6.603 1.00 53.31 N ATOM 942 NH2 ARG A 61 10.000 9.116 -5.027 1.00 73.30 N ATOM 0 H ARG A 61 5.508 5.022 -4.917 1.00 65.21 H new ATOM 0 HA ARG A 61 5.016 4.793 -7.752 1.00 35.20 H new ATOM 0 HB2 ARG A 61 5.675 6.902 -6.738 1.00 22.24 H new ATOM 0 HB3 ARG A 61 7.037 6.145 -5.935 1.00 22.24 H new ATOM 0 HG2 ARG A 61 8.077 5.701 -8.106 1.00 23.55 H new ATOM 0 HG3 ARG A 61 6.712 6.443 -8.916 1.00 23.55 H new ATOM 0 HD2 ARG A 61 8.537 8.044 -8.723 1.00 64.31 H new ATOM 0 HD3 ARG A 61 7.164 8.579 -7.776 1.00 64.31 H new ATOM 0 HE ARG A 61 9.137 7.060 -6.202 1.00 13.31 H new ATOM 0 HH11 ARG A 61 8.132 10.229 -7.409 1.00 53.31 H new ATOM 0 HH12 ARG A 61 9.045 11.125 -6.191 1.00 53.31 H new ATOM 0 HH21 ARG A 61 10.332 8.241 -4.620 1.00 73.30 H new ATOM 0 HH22 ARG A 61 10.284 10.007 -4.621 1.00 73.30 H new ATOM 956 N SER A 62 7.539 3.326 -6.216 1.00 31.52 N ATOM 957 CA SER A 62 8.593 2.324 -6.327 1.00 64.32 C ATOM 958 C SER A 62 8.046 0.998 -6.872 1.00 2.11 C ATOM 959 O SER A 62 8.652 0.377 -7.762 1.00 55.52 O ATOM 960 CB SER A 62 9.287 2.125 -4.959 1.00 23.32 C ATOM 961 OG SER A 62 10.356 1.202 -5.038 1.00 55.31 O ATOM 0 H SER A 62 7.448 3.721 -5.280 1.00 31.52 H new ATOM 0 HA SER A 62 9.335 2.684 -7.040 1.00 64.32 H new ATOM 0 HB2 SER A 62 9.661 3.083 -4.599 1.00 23.32 H new ATOM 0 HB3 SER A 62 8.557 1.773 -4.230 1.00 23.32 H new ATOM 0 HG SER A 62 10.770 1.104 -4.155 1.00 55.31 H new ATOM 967 N MET A 63 6.894 0.590 -6.372 1.00 4.21 N ATOM 968 CA MET A 63 6.257 -0.635 -6.826 1.00 42.25 C ATOM 969 C MET A 63 5.723 -0.517 -8.233 1.00 63.53 C ATOM 970 O MET A 63 5.685 -1.491 -8.969 1.00 63.52 O ATOM 971 CB MET A 63 5.171 -1.085 -5.865 1.00 12.31 C ATOM 972 CG MET A 63 5.722 -1.612 -4.574 1.00 21.11 C ATOM 973 SD MET A 63 6.759 -3.060 -4.866 1.00 40.01 S ATOM 974 CE MET A 63 7.340 -3.410 -3.215 1.00 32.15 C ATOM 0 H MET A 63 6.378 1.090 -5.649 1.00 4.21 H new ATOM 0 HA MET A 63 7.031 -1.402 -6.842 1.00 42.25 H new ATOM 0 HB2 MET A 63 4.506 -0.247 -5.656 1.00 12.31 H new ATOM 0 HB3 MET A 63 4.568 -1.859 -6.341 1.00 12.31 H new ATOM 0 HG2 MET A 63 6.304 -0.836 -4.078 1.00 21.11 H new ATOM 0 HG3 MET A 63 4.903 -1.874 -3.904 1.00 21.11 H new ATOM 0 HE1 MET A 63 8.428 -3.474 -3.218 1.00 32.15 H new ATOM 0 HE2 MET A 63 7.026 -2.612 -2.542 1.00 32.15 H new ATOM 0 HE3 MET A 63 6.922 -4.357 -2.875 1.00 32.15 H new ATOM 984 N ASP A 64 5.333 0.666 -8.590 1.00 53.14 N ATOM 985 CA ASP A 64 4.785 0.945 -9.912 1.00 41.23 C ATOM 986 C ASP A 64 5.900 1.004 -10.978 1.00 35.51 C ATOM 987 O ASP A 64 5.683 0.692 -12.152 1.00 73.33 O ATOM 988 CB ASP A 64 4.012 2.261 -9.862 1.00 3.41 C ATOM 989 CG ASP A 64 3.361 2.628 -11.175 1.00 35.32 C ATOM 990 OD1 ASP A 64 2.363 1.979 -11.566 1.00 54.51 O ATOM 991 OD2 ASP A 64 3.834 3.572 -11.838 1.00 21.44 O ATOM 0 H ASP A 64 5.380 1.482 -7.980 1.00 53.14 H new ATOM 0 HA ASP A 64 4.110 0.137 -10.196 1.00 41.23 H new ATOM 0 HB2 ASP A 64 3.244 2.193 -9.091 1.00 3.41 H new ATOM 0 HB3 ASP A 64 4.691 3.061 -9.566 1.00 3.41 H new ATOM 996 N ARG A 65 7.090 1.401 -10.557 1.00 2.01 N ATOM 997 CA ARG A 65 8.242 1.512 -11.462 1.00 22.41 C ATOM 998 C ARG A 65 8.852 0.155 -11.805 1.00 5.55 C ATOM 999 O ARG A 65 9.407 -0.017 -12.895 1.00 72.12 O ATOM 1000 CB ARG A 65 9.329 2.423 -10.875 1.00 1.32 C ATOM 1001 CG ARG A 65 8.896 3.856 -10.630 1.00 2.35 C ATOM 1002 CD ARG A 65 10.036 4.684 -10.063 1.00 43.05 C ATOM 1003 NE ARG A 65 11.149 4.822 -11.014 1.00 64.21 N ATOM 1004 CZ ARG A 65 12.434 4.992 -10.678 1.00 72.00 C ATOM 1005 NH1 ARG A 65 12.814 4.923 -9.404 1.00 4.20 N ATOM 1006 NH2 ARG A 65 13.339 5.209 -11.627 1.00 11.40 N ATOM 0 H ARG A 65 7.292 1.655 -9.590 1.00 2.01 H new ATOM 0 HA ARG A 65 7.857 1.953 -12.382 1.00 22.41 H new ATOM 0 HB2 ARG A 65 9.671 1.996 -9.932 1.00 1.32 H new ATOM 0 HB3 ARG A 65 10.184 2.427 -11.552 1.00 1.32 H new ATOM 0 HG2 ARG A 65 8.550 4.299 -11.564 1.00 2.35 H new ATOM 0 HG3 ARG A 65 8.053 3.871 -9.939 1.00 2.35 H new ATOM 0 HD2 ARG A 65 9.665 5.673 -9.794 1.00 43.05 H new ATOM 0 HD3 ARG A 65 10.399 4.219 -9.146 1.00 43.05 H new ATOM 0 HE ARG A 65 10.924 4.785 -12.008 1.00 64.21 H new ATOM 0 HH11 ARG A 65 12.124 4.739 -8.675 1.00 4.20 H new ATOM 0 HH12 ARG A 65 13.795 5.054 -9.157 1.00 4.20 H new ATOM 0 HH21 ARG A 65 13.053 5.245 -12.605 1.00 11.40 H new ATOM 0 HH22 ARG A 65 14.319 5.339 -11.377 1.00 11.40 H new ATOM 1020 N LYS A 66 8.736 -0.809 -10.883 1.00 54.11 N ATOM 1021 CA LYS A 66 9.388 -2.122 -11.050 1.00 44.32 C ATOM 1022 C LYS A 66 8.738 -2.937 -12.166 1.00 31.54 C ATOM 1023 O LYS A 66 9.349 -3.853 -12.719 1.00 53.51 O ATOM 1024 CB LYS A 66 9.354 -2.937 -9.743 1.00 61.12 C ATOM 1025 CG LYS A 66 7.982 -3.471 -9.372 1.00 33.42 C ATOM 1026 CD LYS A 66 8.023 -4.286 -8.098 1.00 51.41 C ATOM 1027 CE LYS A 66 6.714 -5.028 -7.880 1.00 53.02 C ATOM 1028 NZ LYS A 66 5.541 -4.130 -7.730 1.00 30.53 N ATOM 0 H LYS A 66 8.202 -0.710 -10.019 1.00 54.11 H new ATOM 0 HA LYS A 66 10.425 -1.921 -11.319 1.00 44.32 H new ATOM 0 HB2 LYS A 66 10.044 -3.776 -9.834 1.00 61.12 H new ATOM 0 HB3 LYS A 66 9.719 -2.311 -8.929 1.00 61.12 H new ATOM 0 HG2 LYS A 66 7.289 -2.639 -9.249 1.00 33.42 H new ATOM 0 HG3 LYS A 66 7.599 -4.087 -10.186 1.00 33.42 H new ATOM 0 HD2 LYS A 66 8.845 -5.000 -8.146 1.00 51.41 H new ATOM 0 HD3 LYS A 66 8.219 -3.630 -7.249 1.00 51.41 H new ATOM 0 HE2 LYS A 66 6.542 -5.700 -8.721 1.00 53.02 H new ATOM 0 HE3 LYS A 66 6.802 -5.649 -6.989 1.00 53.02 H new ATOM 0 HZ1 LYS A 66 4.666 -4.687 -7.806 1.00 30.53 H new ATOM 0 HZ2 LYS A 66 5.576 -3.665 -6.800 1.00 30.53 H new ATOM 0 HZ3 LYS A 66 5.558 -3.409 -8.479 1.00 30.53 H new ATOM 1042 N SER A 67 7.514 -2.603 -12.481 1.00 5.15 N ATOM 1043 CA SER A 67 6.759 -3.308 -13.471 1.00 34.53 C ATOM 1044 C SER A 67 7.154 -2.869 -14.884 1.00 35.00 C ATOM 1045 O SER A 67 7.922 -1.923 -15.059 1.00 42.03 O ATOM 1046 CB SER A 67 5.271 -3.076 -13.210 1.00 4.33 C ATOM 1047 OG SER A 67 4.937 -3.473 -11.889 1.00 63.14 O ATOM 0 H SER A 67 7.013 -1.826 -12.051 1.00 5.15 H new ATOM 0 HA SER A 67 6.974 -4.374 -13.402 1.00 34.53 H new ATOM 0 HB2 SER A 67 5.029 -2.023 -13.353 1.00 4.33 H new ATOM 0 HB3 SER A 67 4.676 -3.640 -13.928 1.00 4.33 H new ATOM 0 HG SER A 67 3.982 -3.318 -11.733 1.00 63.14 H new ATOM 1053 N ASN A 68 6.613 -3.550 -15.889 1.00 64.51 N ATOM 1054 CA ASN A 68 6.906 -3.240 -17.301 1.00 73.25 C ATOM 1055 C ASN A 68 6.071 -2.061 -17.782 1.00 63.51 C ATOM 1056 O ASN A 68 6.029 -1.738 -18.984 1.00 11.04 O ATOM 1057 CB ASN A 68 6.657 -4.458 -18.203 1.00 52.33 C ATOM 1058 CG ASN A 68 7.530 -5.653 -17.862 1.00 2.43 C ATOM 1059 OD1 ASN A 68 8.658 -5.512 -17.377 1.00 55.33 O ATOM 1060 ND2 ASN A 68 7.026 -6.830 -18.109 1.00 10.02 N ATOM 0 H ASN A 68 5.964 -4.326 -15.760 1.00 64.51 H new ATOM 0 HA ASN A 68 7.961 -2.974 -17.364 1.00 73.25 H new ATOM 0 HB2 ASN A 68 5.610 -4.749 -18.126 1.00 52.33 H new ATOM 0 HB3 ASN A 68 6.833 -4.174 -19.241 1.00 52.33 H new ATOM 0 HD21 ASN A 68 7.566 -7.670 -17.901 1.00 10.02 H new ATOM 0 HD22 ASN A 68 6.092 -6.911 -18.510 1.00 10.02 H new ATOM 1067 N THR A 69 5.416 -1.420 -16.851 1.00 64.13 N ATOM 1068 CA THR A 69 4.635 -0.274 -17.117 1.00 61.23 C ATOM 1069 C THR A 69 5.500 0.940 -17.266 1.00 72.24 C ATOM 1070 O THR A 69 6.297 1.269 -16.380 1.00 64.30 O ATOM 1071 CB THR A 69 3.605 -0.060 -16.023 1.00 23.34 C ATOM 1072 OG1 THR A 69 4.214 -0.224 -14.726 1.00 42.43 O ATOM 1073 CG2 THR A 69 2.459 -1.015 -16.189 1.00 12.54 C ATOM 0 H THR A 69 5.420 -1.698 -15.870 1.00 64.13 H new ATOM 0 HA THR A 69 4.110 -0.437 -18.058 1.00 61.23 H new ATOM 0 HB THR A 69 3.220 0.957 -16.100 1.00 23.34 H new ATOM 0 HG1 THR A 69 5.120 0.149 -14.741 1.00 42.43 H new ATOM 0 HG21 THR A 69 1.729 -0.849 -15.397 1.00 12.54 H new ATOM 0 HG22 THR A 69 1.987 -0.852 -17.158 1.00 12.54 H new ATOM 0 HG23 THR A 69 2.828 -2.039 -16.133 1.00 12.54 H new ATOM 1081 N ARG A 70 5.374 1.582 -18.381 1.00 64.35 N ATOM 1082 CA ARG A 70 6.109 2.770 -18.640 1.00 2.43 C ATOM 1083 C ARG A 70 5.181 3.821 -19.181 1.00 4.54 C ATOM 1084 O ARG A 70 4.265 3.509 -19.948 1.00 35.43 O ATOM 1085 CB ARG A 70 7.279 2.528 -19.607 1.00 25.21 C ATOM 1086 CG ARG A 70 8.394 1.650 -19.049 1.00 71.33 C ATOM 1087 CD ARG A 70 9.488 1.406 -20.079 1.00 23.32 C ATOM 1088 NE ARG A 70 10.071 2.657 -20.590 1.00 31.55 N ATOM 1089 CZ ARG A 70 11.130 2.736 -21.407 1.00 0.43 C ATOM 1090 NH1 ARG A 70 11.818 1.637 -21.736 1.00 62.51 N ATOM 1091 NH2 ARG A 70 11.517 3.917 -21.868 1.00 12.23 N ATOM 0 H ARG A 70 4.755 1.294 -19.139 1.00 64.35 H new ATOM 0 HA ARG A 70 6.544 3.112 -17.701 1.00 2.43 H new ATOM 0 HB2 ARG A 70 6.892 2.067 -20.516 1.00 25.21 H new ATOM 0 HB3 ARG A 70 7.702 3.491 -19.893 1.00 25.21 H new ATOM 0 HG2 ARG A 70 8.824 2.125 -18.167 1.00 71.33 H new ATOM 0 HG3 ARG A 70 7.978 0.695 -18.726 1.00 71.33 H new ATOM 0 HD2 ARG A 70 10.275 0.799 -19.632 1.00 23.32 H new ATOM 0 HD3 ARG A 70 9.078 0.834 -20.911 1.00 23.32 H new ATOM 0 HE ARG A 70 9.635 3.532 -20.300 1.00 31.55 H new ATOM 0 HH11 ARG A 70 11.538 0.729 -21.364 1.00 62.51 H new ATOM 0 HH12 ARG A 70 12.623 1.707 -22.359 1.00 62.51 H new ATOM 0 HH21 ARG A 70 11.009 4.760 -21.600 1.00 12.23 H new ATOM 0 HH22 ARG A 70 12.323 3.983 -22.490 1.00 12.23 H new ATOM 1105 N ASN A 71 5.389 5.034 -18.775 1.00 24.42 N ATOM 1106 CA ASN A 71 4.585 6.153 -19.226 1.00 53.33 C ATOM 1107 C ASN A 71 5.481 7.151 -19.916 1.00 42.41 C ATOM 1108 O ASN A 71 6.633 7.328 -19.514 1.00 40.12 O ATOM 1109 CB ASN A 71 3.879 6.823 -18.029 1.00 70.33 C ATOM 1110 CG ASN A 71 3.032 8.034 -18.417 1.00 23.14 C ATOM 1111 OD1 ASN A 71 2.481 8.099 -19.515 1.00 25.22 O ATOM 1112 ND2 ASN A 71 2.927 8.992 -17.526 1.00 21.13 N ATOM 0 H ASN A 71 6.124 5.290 -18.116 1.00 24.42 H new ATOM 0 HA ASN A 71 3.824 5.796 -19.920 1.00 53.33 H new ATOM 0 HB2 ASN A 71 3.243 6.088 -17.536 1.00 70.33 H new ATOM 0 HB3 ASN A 71 4.630 7.133 -17.302 1.00 70.33 H new ATOM 0 HD21 ASN A 71 2.375 9.824 -17.734 1.00 21.13 H new ATOM 0 HD22 ASN A 71 3.398 8.905 -16.625 1.00 21.13 H new ATOM 1119 N ASN A 72 4.982 7.786 -20.951 1.00 53.51 N ATOM 1120 CA ASN A 72 5.758 8.785 -21.646 1.00 10.13 C ATOM 1121 C ASN A 72 5.696 10.075 -20.869 1.00 71.34 C ATOM 1122 O ASN A 72 4.688 10.783 -20.885 1.00 60.42 O ATOM 1123 CB ASN A 72 5.288 8.982 -23.093 1.00 24.22 C ATOM 1124 CG ASN A 72 6.132 10.007 -23.847 1.00 51.04 C ATOM 1125 OD1 ASN A 72 5.823 11.192 -23.862 1.00 73.30 O ATOM 1126 ND2 ASN A 72 7.196 9.559 -24.466 1.00 51.30 N ATOM 0 H ASN A 72 4.047 7.630 -21.328 1.00 53.51 H new ATOM 0 HA ASN A 72 6.791 8.444 -21.709 1.00 10.13 H new ATOM 0 HB2 ASN A 72 5.327 8.027 -23.618 1.00 24.22 H new ATOM 0 HB3 ASN A 72 4.246 9.303 -23.093 1.00 24.22 H new ATOM 0 HD21 ASN A 72 7.796 10.204 -24.981 1.00 51.30 H new ATOM 0 HD22 ASN A 72 7.425 8.565 -24.433 1.00 51.30 H new ATOM 1133 N MET A 73 6.745 10.340 -20.152 1.00 42.32 N ATOM 1134 CA MET A 73 6.817 11.489 -19.300 1.00 14.11 C ATOM 1135 C MET A 73 7.637 12.575 -19.938 1.00 15.24 C ATOM 1136 O MET A 73 8.851 12.413 -20.145 1.00 14.41 O ATOM 1137 CB MET A 73 7.417 11.114 -17.940 1.00 70.04 C ATOM 1138 CG MET A 73 6.602 10.095 -17.155 1.00 10.20 C ATOM 1139 SD MET A 73 7.363 9.644 -15.570 1.00 21.35 S ATOM 1140 CE MET A 73 7.428 11.244 -14.753 1.00 71.11 C ATOM 0 H MET A 73 7.584 9.760 -20.141 1.00 42.32 H new ATOM 0 HA MET A 73 5.803 11.860 -19.149 1.00 14.11 H new ATOM 0 HB2 MET A 73 8.420 10.717 -18.096 1.00 70.04 H new ATOM 0 HB3 MET A 73 7.521 12.018 -17.340 1.00 70.04 H new ATOM 0 HG2 MET A 73 5.606 10.499 -16.971 1.00 10.20 H new ATOM 0 HG3 MET A 73 6.475 9.197 -17.759 1.00 10.20 H new ATOM 0 HE1 MET A 73 7.546 11.100 -13.679 1.00 71.11 H new ATOM 0 HE2 MET A 73 8.273 11.815 -15.137 1.00 71.11 H new ATOM 0 HE3 MET A 73 6.504 11.789 -14.946 1.00 71.11 H new ATOM 1150 N ILE A 74 6.997 13.662 -20.267 1.00 3.13 N ATOM 1151 CA ILE A 74 7.680 14.798 -20.821 1.00 40.15 C ATOM 1152 C ILE A 74 8.353 15.541 -19.679 1.00 62.13 C ATOM 1153 O ILE A 74 7.716 16.322 -18.950 1.00 41.33 O ATOM 1154 CB ILE A 74 6.719 15.744 -21.602 1.00 11.33 C ATOM 1155 CG1 ILE A 74 5.987 14.973 -22.718 1.00 42.32 C ATOM 1156 CG2 ILE A 74 7.479 16.939 -22.187 1.00 42.32 C ATOM 1157 CD1 ILE A 74 6.902 14.335 -23.751 1.00 31.43 C ATOM 0 H ILE A 74 5.990 13.786 -20.159 1.00 3.13 H new ATOM 0 HA ILE A 74 8.418 14.451 -21.544 1.00 40.15 H new ATOM 0 HB ILE A 74 5.978 16.125 -20.899 1.00 11.33 H new ATOM 0 HG12 ILE A 74 5.376 14.194 -22.263 1.00 42.32 H new ATOM 0 HG13 ILE A 74 5.306 15.655 -23.227 1.00 42.32 H new ATOM 0 HG21 ILE A 74 6.785 17.583 -22.727 1.00 42.32 H new ATOM 0 HG22 ILE A 74 7.945 17.504 -21.380 1.00 42.32 H new ATOM 0 HG23 ILE A 74 8.249 16.581 -22.871 1.00 42.32 H new ATOM 0 HD11 ILE A 74 6.301 13.814 -24.497 1.00 31.43 H new ATOM 0 HD12 ILE A 74 7.496 15.108 -24.238 1.00 31.43 H new ATOM 0 HD13 ILE A 74 7.566 13.624 -23.259 1.00 31.43 H new ATOM 1169 N GLN A 75 9.602 15.240 -19.487 1.00 1.24 N ATOM 1170 CA GLN A 75 10.382 15.777 -18.411 1.00 11.14 C ATOM 1171 C GLN A 75 11.840 15.680 -18.807 1.00 4.42 C ATOM 1172 O GLN A 75 12.437 14.589 -18.652 1.00 37.46 O ATOM 1173 CB GLN A 75 10.118 14.972 -17.124 1.00 61.21 C ATOM 1174 CG GLN A 75 10.837 15.488 -15.892 1.00 64.43 C ATOM 1175 CD GLN A 75 10.608 14.600 -14.688 1.00 0.13 C ATOM 1176 OE1 GLN A 75 9.656 14.790 -13.922 1.00 42.43 O ATOM 1177 NE2 GLN A 75 11.468 13.629 -14.511 1.00 51.35 N ATOM 0 H GLN A 75 10.120 14.599 -20.088 1.00 1.24 H new ATOM 0 HA GLN A 75 10.114 16.816 -18.220 1.00 11.14 H new ATOM 0 HB2 GLN A 75 9.046 14.969 -16.927 1.00 61.21 H new ATOM 0 HB3 GLN A 75 10.414 13.937 -17.293 1.00 61.21 H new ATOM 0 HG2 GLN A 75 11.906 15.553 -16.097 1.00 64.43 H new ATOM 0 HG3 GLN A 75 10.493 16.498 -15.668 1.00 64.43 H new ATOM 0 HE21 GLN A 75 12.240 13.506 -15.166 1.00 51.35 H new ATOM 0 HE22 GLN A 75 11.366 12.996 -13.718 1.00 51.35 H new TER 1186 GLN A 75