USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 587 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 44 ASN : amide:sc= 0 X(o=-0.17,f=-0.069) USER MOD Set 1.2: A 45 ASN : amide:sc= -0.166 K(o=-0.17,f=-2.7!) USER MOD Set 2.1: A 31 THR OG1 : rot -2:sc= -1.38! USER MOD Set 2.2: A 37 GLN : amide:sc= -0.526 K(o=-1.9,f=-2.4) USER MOD Single : A 1 LYS N :NH3+ -127:sc= 0.0201 (180deg=-0.0359) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -41:sc= 0.563 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -1.35 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.127 K(o=-0.13,f=-4.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -1 K(o=-1,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0576 X(o=-0.058,f=-0.082) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0.388 K(o=0.39,f=-4.5!) USER MOD Single : A 48 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.2!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 61 TYR OH : rot 150:sc= -0.0283 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -20.860 -9.962 5.954 1.00 13.12 N ATOM 2 CA LYS A 1 -20.222 -10.312 4.689 1.00 63.25 C ATOM 3 C LYS A 1 -18.848 -10.867 4.977 1.00 55.34 C ATOM 4 O LYS A 1 -18.199 -10.428 5.933 1.00 74.02 O ATOM 5 CB LYS A 1 -20.098 -9.076 3.771 1.00 1.14 C ATOM 6 CG LYS A 1 -21.422 -8.429 3.373 1.00 12.34 C ATOM 7 CD LYS A 1 -22.288 -9.389 2.577 1.00 73.51 C ATOM 8 CE LYS A 1 -23.611 -8.752 2.181 1.00 12.15 C ATOM 9 NZ LYS A 1 -24.470 -9.694 1.437 1.00 13.52 N ATOM 0 H1 LYS A 1 -21.793 -10.419 6.011 1.00 13.12 H new ATOM 0 H2 LYS A 1 -20.267 -10.287 6.744 1.00 13.12 H new ATOM 0 H3 LYS A 1 -20.976 -8.930 6.010 1.00 13.12 H new ATOM 0 HA LYS A 1 -20.833 -11.055 4.177 1.00 63.25 H new ATOM 0 HB2 LYS A 1 -19.483 -8.329 4.274 1.00 1.14 H new ATOM 0 HB3 LYS A 1 -19.567 -9.368 2.865 1.00 1.14 H new ATOM 0 HG2 LYS A 1 -21.957 -8.110 4.268 1.00 12.34 H new ATOM 0 HG3 LYS A 1 -21.229 -7.534 2.781 1.00 12.34 H new ATOM 0 HD2 LYS A 1 -21.753 -9.705 1.681 1.00 73.51 H new ATOM 0 HD3 LYS A 1 -22.477 -10.285 3.168 1.00 73.51 H new ATOM 0 HE2 LYS A 1 -24.133 -8.412 3.075 1.00 12.15 H new ATOM 0 HE3 LYS A 1 -23.421 -7.871 1.568 1.00 12.15 H new ATOM 0 HZ1 LYS A 1 -25.363 -9.224 1.184 1.00 13.52 H new ATOM 0 HZ2 LYS A 1 -23.982 -9.999 0.571 1.00 13.52 H new ATOM 0 HZ3 LYS A 1 -24.672 -10.523 2.031 1.00 13.52 H new ATOM 23 N PRO A 2 -18.394 -11.864 4.205 1.00 22.22 N ATOM 24 CA PRO A 2 -17.053 -12.416 4.360 1.00 73.05 C ATOM 25 C PRO A 2 -15.991 -11.413 3.906 1.00 5.22 C ATOM 26 O PRO A 2 -15.850 -11.128 2.705 1.00 3.22 O ATOM 27 CB PRO A 2 -17.056 -13.653 3.444 1.00 73.13 C ATOM 28 CG PRO A 2 -18.118 -13.377 2.435 1.00 22.32 C ATOM 29 CD PRO A 2 -19.158 -12.549 3.133 1.00 53.34 C ATOM 0 HA PRO A 2 -16.817 -12.655 5.397 1.00 73.05 H new ATOM 0 HB2 PRO A 2 -16.086 -13.795 2.968 1.00 73.13 H new ATOM 0 HB3 PRO A 2 -17.271 -14.561 4.007 1.00 73.13 H new ATOM 0 HG2 PRO A 2 -17.709 -12.845 1.576 1.00 22.32 H new ATOM 0 HG3 PRO A 2 -18.548 -14.305 2.059 1.00 22.32 H new ATOM 0 HD2 PRO A 2 -19.625 -11.835 2.454 1.00 53.34 H new ATOM 0 HD3 PRO A 2 -19.956 -13.169 3.542 1.00 53.34 H new ATOM 37 N VAL A 3 -15.288 -10.832 4.846 1.00 42.31 N ATOM 38 CA VAL A 3 -14.271 -9.880 4.499 1.00 33.31 C ATOM 39 C VAL A 3 -12.907 -10.477 4.775 1.00 41.44 C ATOM 40 O VAL A 3 -12.446 -10.511 5.925 1.00 21.10 O ATOM 41 CB VAL A 3 -14.421 -8.546 5.270 1.00 42.00 C ATOM 42 CG1 VAL A 3 -13.395 -7.531 4.795 1.00 22.22 C ATOM 43 CG2 VAL A 3 -15.824 -7.987 5.127 1.00 12.31 C ATOM 0 H VAL A 3 -15.401 -11.001 5.846 1.00 42.31 H new ATOM 0 HA VAL A 3 -14.381 -9.655 3.438 1.00 33.31 H new ATOM 0 HB VAL A 3 -14.243 -8.750 6.326 1.00 42.00 H new ATOM 0 HG11 VAL A 3 -13.519 -6.601 5.350 1.00 22.22 H new ATOM 0 HG12 VAL A 3 -12.392 -7.923 4.962 1.00 22.22 H new ATOM 0 HG13 VAL A 3 -13.538 -7.340 3.731 1.00 22.22 H new ATOM 0 HG21 VAL A 3 -15.900 -7.050 5.679 1.00 12.31 H new ATOM 0 HG22 VAL A 3 -16.038 -7.806 4.074 1.00 12.31 H new ATOM 0 HG23 VAL A 3 -16.543 -8.702 5.526 1.00 12.31 H new ATOM 53 N SER A 4 -12.296 -10.950 3.717 1.00 30.14 N ATOM 54 CA SER A 4 -10.985 -11.579 3.732 1.00 11.13 C ATOM 55 C SER A 4 -10.718 -12.073 2.314 1.00 23.44 C ATOM 56 O SER A 4 -9.950 -13.018 2.093 1.00 42.44 O ATOM 57 CB SER A 4 -10.982 -12.778 4.723 1.00 44.11 C ATOM 58 OG SER A 4 -9.696 -13.403 4.808 1.00 14.45 O ATOM 0 H SER A 4 -12.707 -10.909 2.785 1.00 30.14 H new ATOM 0 HA SER A 4 -10.216 -10.876 4.053 1.00 11.13 H new ATOM 0 HB2 SER A 4 -11.282 -12.431 5.712 1.00 44.11 H new ATOM 0 HB3 SER A 4 -11.721 -13.513 4.405 1.00 44.11 H new ATOM 0 HG SER A 4 -9.305 -13.470 3.912 1.00 14.45 H new ATOM 64 N LEU A 5 -11.327 -11.400 1.352 1.00 63.32 N ATOM 65 CA LEU A 5 -11.254 -11.817 -0.026 1.00 2.02 C ATOM 66 C LEU A 5 -9.984 -11.293 -0.661 1.00 52.54 C ATOM 67 O LEU A 5 -9.109 -12.066 -1.073 1.00 64.34 O ATOM 68 CB LEU A 5 -12.470 -11.293 -0.806 1.00 75.11 C ATOM 69 CG LEU A 5 -13.853 -11.671 -0.269 1.00 34.44 C ATOM 70 CD1 LEU A 5 -14.935 -11.020 -1.104 1.00 32.34 C ATOM 71 CD2 LEU A 5 -14.037 -13.176 -0.258 1.00 64.23 C ATOM 0 H LEU A 5 -11.880 -10.557 1.509 1.00 63.32 H new ATOM 0 HA LEU A 5 -11.251 -12.907 -0.058 1.00 2.02 H new ATOM 0 HB2 LEU A 5 -12.406 -10.206 -0.843 1.00 75.11 H new ATOM 0 HB3 LEU A 5 -12.395 -11.652 -1.832 1.00 75.11 H new ATOM 0 HG LEU A 5 -13.930 -11.309 0.756 1.00 34.44 H new ATOM 0 HD11 LEU A 5 -15.913 -11.297 -0.712 1.00 32.34 H new ATOM 0 HD12 LEU A 5 -14.822 -9.937 -1.066 1.00 32.34 H new ATOM 0 HD13 LEU A 5 -14.850 -11.357 -2.137 1.00 32.34 H new ATOM 0 HD21 LEU A 5 -15.027 -13.419 0.128 1.00 64.23 H new ATOM 0 HD22 LEU A 5 -13.938 -13.562 -1.273 1.00 64.23 H new ATOM 0 HD23 LEU A 5 -13.278 -13.631 0.379 1.00 64.23 H new ATOM 83 N SER A 6 -9.871 -9.987 -0.721 1.00 70.34 N ATOM 84 CA SER A 6 -8.758 -9.374 -1.365 1.00 3.11 C ATOM 85 C SER A 6 -8.148 -8.279 -0.511 1.00 63.10 C ATOM 86 O SER A 6 -8.656 -7.148 -0.468 1.00 30.41 O ATOM 87 CB SER A 6 -9.190 -8.798 -2.703 1.00 21.05 C ATOM 88 OG SER A 6 -9.790 -9.792 -3.518 1.00 53.14 O ATOM 0 H SER A 6 -10.547 -9.334 -0.325 1.00 70.34 H new ATOM 0 HA SER A 6 -7.999 -10.141 -1.519 1.00 3.11 H new ATOM 0 HB2 SER A 6 -9.895 -7.983 -2.541 1.00 21.05 H new ATOM 0 HB3 SER A 6 -8.326 -8.375 -3.216 1.00 21.05 H new ATOM 0 HG SER A 6 -10.060 -9.395 -4.372 1.00 53.14 H new ATOM 94 N TYR A 7 -7.111 -8.623 0.200 1.00 0.34 N ATOM 95 CA TYR A 7 -6.340 -7.668 0.943 1.00 31.45 C ATOM 96 C TYR A 7 -4.956 -8.216 1.123 1.00 25.30 C ATOM 97 O TYR A 7 -4.712 -9.075 1.968 1.00 30.51 O ATOM 98 CB TYR A 7 -6.971 -7.311 2.301 1.00 53.03 C ATOM 99 CG TYR A 7 -6.235 -6.199 3.045 1.00 12.43 C ATOM 100 CD1 TYR A 7 -6.478 -4.860 2.742 1.00 2.23 C ATOM 101 CD2 TYR A 7 -5.306 -6.482 4.044 1.00 72.33 C ATOM 102 CE1 TYR A 7 -5.821 -3.843 3.412 1.00 53.50 C ATOM 103 CE2 TYR A 7 -4.644 -5.467 4.713 1.00 75.23 C ATOM 104 CZ TYR A 7 -4.906 -4.152 4.395 1.00 72.14 C ATOM 105 OH TYR A 7 -4.258 -3.138 5.071 1.00 14.41 O ATOM 0 H TYR A 7 -6.775 -9.583 0.280 1.00 0.34 H new ATOM 0 HA TYR A 7 -6.312 -6.736 0.378 1.00 31.45 H new ATOM 0 HB2 TYR A 7 -8.006 -7.007 2.142 1.00 53.03 H new ATOM 0 HB3 TYR A 7 -6.993 -8.203 2.927 1.00 53.03 H new ATOM 0 HD1 TYR A 7 -7.192 -4.612 1.970 1.00 2.23 H new ATOM 0 HD2 TYR A 7 -5.099 -7.510 4.301 1.00 72.33 H new ATOM 0 HE1 TYR A 7 -6.024 -2.811 3.166 1.00 53.50 H new ATOM 0 HE2 TYR A 7 -3.924 -5.705 5.482 1.00 75.23 H new ATOM 0 HH TYR A 7 -3.647 -3.524 5.732 1.00 14.41 H new ATOM 115 N ARG A 8 -4.081 -7.774 0.295 1.00 3.24 N ATOM 116 CA ARG A 8 -2.714 -8.198 0.333 1.00 41.54 C ATOM 117 C ARG A 8 -1.856 -6.968 0.403 1.00 53.04 C ATOM 118 O ARG A 8 -0.961 -6.846 1.243 1.00 13.21 O ATOM 119 CB ARG A 8 -2.393 -8.982 -0.939 1.00 25.44 C ATOM 120 CG ARG A 8 -0.989 -9.546 -1.008 1.00 73.42 C ATOM 121 CD ARG A 8 -0.739 -10.189 -2.356 1.00 64.35 C ATOM 122 NE ARG A 8 -0.810 -9.209 -3.448 1.00 4.24 N ATOM 123 CZ ARG A 8 -0.996 -9.509 -4.738 1.00 2.20 C ATOM 124 NH1 ARG A 8 -1.212 -10.765 -5.108 1.00 32.54 N ATOM 125 NH2 ARG A 8 -0.980 -8.539 -5.654 1.00 65.13 N ATOM 0 H ARG A 8 -4.289 -7.099 -0.441 1.00 3.24 H new ATOM 0 HA ARG A 8 -2.530 -8.838 1.196 1.00 41.54 H new ATOM 0 HB2 ARG A 8 -3.103 -9.804 -1.030 1.00 25.44 H new ATOM 0 HB3 ARG A 8 -2.549 -8.330 -1.798 1.00 25.44 H new ATOM 0 HG2 ARG A 8 -0.263 -8.751 -0.838 1.00 73.42 H new ATOM 0 HG3 ARG A 8 -0.847 -10.282 -0.216 1.00 73.42 H new ATOM 0 HD2 ARG A 8 0.242 -10.663 -2.356 1.00 64.35 H new ATOM 0 HD3 ARG A 8 -1.474 -10.976 -2.525 1.00 64.35 H new ATOM 0 HE ARG A 8 -0.710 -8.224 -3.204 1.00 4.24 H new ATOM 0 HH11 ARG A 8 -1.237 -11.506 -4.407 1.00 32.54 H new ATOM 0 HH12 ARG A 8 -1.353 -10.989 -6.093 1.00 32.54 H new ATOM 0 HH21 ARG A 8 -0.826 -7.572 -5.370 1.00 65.13 H new ATOM 0 HH22 ARG A 8 -1.122 -8.765 -6.639 1.00 65.13 H new ATOM 139 N CYS A 9 -2.152 -6.054 -0.467 1.00 71.41 N ATOM 140 CA CYS A 9 -1.439 -4.831 -0.564 1.00 34.03 C ATOM 141 C CYS A 9 -2.245 -3.786 0.199 1.00 5.01 C ATOM 142 O CYS A 9 -3.477 -3.815 0.140 1.00 11.13 O ATOM 143 CB CYS A 9 -1.360 -4.446 -2.039 1.00 23.52 C ATOM 144 SG CYS A 9 -0.985 -5.865 -3.149 1.00 71.13 S ATOM 0 H CYS A 9 -2.912 -6.144 -1.141 1.00 71.41 H new ATOM 0 HA CYS A 9 -0.432 -4.909 -0.155 1.00 34.03 H new ATOM 0 HB2 CYS A 9 -2.307 -3.999 -2.341 1.00 23.52 H new ATOM 0 HB3 CYS A 9 -0.593 -3.683 -2.166 1.00 23.52 H new ATOM 149 N PRO A 10 -1.582 -2.884 0.955 1.00 44.22 N ATOM 150 CA PRO A 10 -2.259 -1.831 1.733 1.00 62.31 C ATOM 151 C PRO A 10 -3.308 -1.059 0.919 1.00 55.50 C ATOM 152 O PRO A 10 -4.494 -1.085 1.239 1.00 23.30 O ATOM 153 CB PRO A 10 -1.106 -0.917 2.134 1.00 62.24 C ATOM 154 CG PRO A 10 0.043 -1.847 2.266 1.00 73.11 C ATOM 155 CD PRO A 10 -0.117 -2.841 1.150 1.00 30.31 C ATOM 0 HA PRO A 10 -2.821 -2.240 2.572 1.00 62.31 H new ATOM 0 HB2 PRO A 10 -0.919 -0.152 1.380 1.00 62.24 H new ATOM 0 HB3 PRO A 10 -1.312 -0.398 3.070 1.00 62.24 H new ATOM 0 HG2 PRO A 10 0.991 -1.315 2.185 1.00 73.11 H new ATOM 0 HG3 PRO A 10 0.038 -2.342 3.237 1.00 73.11 H new ATOM 0 HD2 PRO A 10 0.402 -2.521 0.246 1.00 30.31 H new ATOM 0 HD3 PRO A 10 0.284 -3.818 1.419 1.00 30.31 H new ATOM 163 N CYS A 11 -2.884 -0.417 -0.142 1.00 41.41 N ATOM 164 CA CYS A 11 -3.795 0.368 -0.940 1.00 53.31 C ATOM 165 C CYS A 11 -3.700 0.050 -2.408 1.00 23.35 C ATOM 166 O CYS A 11 -2.653 0.228 -3.023 1.00 51.33 O ATOM 167 CB CYS A 11 -3.563 1.864 -0.733 1.00 75.11 C ATOM 168 SG CYS A 11 -3.935 2.477 0.934 1.00 0.13 S ATOM 0 H CYS A 11 -1.919 -0.422 -0.472 1.00 41.41 H new ATOM 0 HA CYS A 11 -4.796 0.103 -0.600 1.00 53.31 H new ATOM 0 HB2 CYS A 11 -2.522 2.090 -0.962 1.00 75.11 H new ATOM 0 HB3 CYS A 11 -4.173 2.413 -1.450 1.00 75.11 H new ATOM 173 N ARG A 12 -4.791 -0.457 -2.956 1.00 30.44 N ATOM 174 CA ARG A 12 -4.913 -0.622 -4.394 1.00 12.33 C ATOM 175 C ARG A 12 -5.246 0.722 -5.008 1.00 25.44 C ATOM 176 O ARG A 12 -4.941 0.992 -6.167 1.00 22.31 O ATOM 177 CB ARG A 12 -6.022 -1.612 -4.750 1.00 61.21 C ATOM 178 CG ARG A 12 -5.766 -3.051 -4.354 1.00 31.12 C ATOM 179 CD ARG A 12 -6.945 -3.917 -4.756 1.00 11.32 C ATOM 180 NE ARG A 12 -6.700 -5.345 -4.541 1.00 13.22 N ATOM 181 CZ ARG A 12 -7.488 -6.320 -5.005 1.00 70.01 C ATOM 182 NH1 ARG A 12 -8.627 -6.027 -5.626 1.00 60.01 N ATOM 183 NH2 ARG A 12 -7.147 -7.583 -4.839 1.00 1.43 N ATOM 0 H ARG A 12 -5.607 -0.762 -2.425 1.00 30.44 H new ATOM 0 HA ARG A 12 -3.970 -1.009 -4.779 1.00 12.33 H new ATOM 0 HB2 ARG A 12 -6.946 -1.282 -4.275 1.00 61.21 H new ATOM 0 HB3 ARG A 12 -6.187 -1.574 -5.827 1.00 61.21 H new ATOM 0 HG2 ARG A 12 -4.857 -3.413 -4.835 1.00 31.12 H new ATOM 0 HG3 ARG A 12 -5.605 -3.118 -3.278 1.00 31.12 H new ATOM 0 HD2 ARG A 12 -7.823 -3.614 -4.186 1.00 11.32 H new ATOM 0 HD3 ARG A 12 -7.173 -3.747 -5.808 1.00 11.32 H new ATOM 0 HE ARG A 12 -5.876 -5.612 -4.003 1.00 13.22 H new ATOM 0 HH11 ARG A 12 -8.904 -5.053 -5.751 1.00 60.01 H new ATOM 0 HH12 ARG A 12 -9.223 -6.776 -5.978 1.00 60.01 H new ATOM 0 HH21 ARG A 12 -6.280 -7.818 -4.356 1.00 1.43 H new ATOM 0 HH22 ARG A 12 -7.750 -8.325 -5.194 1.00 1.43 H new ATOM 197 N PHE A 13 -5.887 1.555 -4.209 1.00 74.13 N ATOM 198 CA PHE A 13 -6.292 2.873 -4.629 1.00 5.22 C ATOM 199 C PHE A 13 -5.391 3.902 -3.999 1.00 20.54 C ATOM 200 O PHE A 13 -5.126 3.857 -2.783 1.00 24.35 O ATOM 201 CB PHE A 13 -7.730 3.159 -4.203 1.00 4.01 C ATOM 202 CG PHE A 13 -8.739 2.184 -4.723 1.00 42.42 C ATOM 203 CD1 PHE A 13 -9.281 2.334 -5.986 1.00 74.54 C ATOM 204 CD2 PHE A 13 -9.153 1.120 -3.942 1.00 13.13 C ATOM 205 CE1 PHE A 13 -10.218 1.439 -6.457 1.00 43.31 C ATOM 206 CE2 PHE A 13 -10.087 0.223 -4.408 1.00 3.35 C ATOM 207 CZ PHE A 13 -10.619 0.382 -5.664 1.00 22.51 C ATOM 0 H PHE A 13 -6.140 1.330 -3.247 1.00 74.13 H new ATOM 0 HA PHE A 13 -6.223 2.921 -5.716 1.00 5.22 H new ATOM 0 HB2 PHE A 13 -7.778 3.166 -3.114 1.00 4.01 H new ATOM 0 HB3 PHE A 13 -8.003 4.159 -4.540 1.00 4.01 H new ATOM 0 HD1 PHE A 13 -8.968 3.159 -6.609 1.00 74.54 H new ATOM 0 HD2 PHE A 13 -8.738 0.991 -2.953 1.00 13.13 H new ATOM 0 HE1 PHE A 13 -10.638 1.564 -7.444 1.00 43.31 H new ATOM 0 HE2 PHE A 13 -10.401 -0.604 -3.788 1.00 3.35 H new ATOM 0 HZ PHE A 13 -11.352 -0.321 -6.032 1.00 22.51 H new ATOM 217 N PHE A 14 -4.929 4.810 -4.796 1.00 73.35 N ATOM 218 CA PHE A 14 -4.084 5.874 -4.329 1.00 13.43 C ATOM 219 C PHE A 14 -4.762 7.184 -4.620 1.00 12.43 C ATOM 220 O PHE A 14 -5.498 7.297 -5.614 1.00 14.52 O ATOM 221 CB PHE A 14 -2.732 5.875 -5.039 1.00 74.12 C ATOM 222 CG PHE A 14 -1.965 4.596 -4.987 1.00 72.43 C ATOM 223 CD1 PHE A 14 -1.482 4.103 -3.793 1.00 14.14 C ATOM 224 CD2 PHE A 14 -1.701 3.905 -6.152 1.00 14.41 C ATOM 225 CE1 PHE A 14 -0.749 2.937 -3.762 1.00 13.02 C ATOM 226 CE2 PHE A 14 -0.976 2.745 -6.133 1.00 44.15 C ATOM 227 CZ PHE A 14 -0.495 2.254 -4.936 1.00 43.11 C ATOM 0 H PHE A 14 -5.125 4.839 -5.797 1.00 73.35 H new ATOM 0 HA PHE A 14 -3.917 5.731 -3.261 1.00 13.43 H new ATOM 0 HB2 PHE A 14 -2.893 6.137 -6.085 1.00 74.12 H new ATOM 0 HB3 PHE A 14 -2.116 6.663 -4.605 1.00 74.12 H new ATOM 0 HD1 PHE A 14 -1.680 4.636 -2.875 1.00 14.14 H new ATOM 0 HD2 PHE A 14 -2.072 4.285 -7.092 1.00 14.41 H new ATOM 0 HE1 PHE A 14 -0.374 2.558 -2.823 1.00 13.02 H new ATOM 0 HE2 PHE A 14 -0.780 2.214 -7.053 1.00 44.15 H new ATOM 0 HZ PHE A 14 0.078 1.339 -4.917 1.00 43.11 H new ATOM 237 N GLU A 15 -4.561 8.160 -3.765 1.00 12.12 N ATOM 238 CA GLU A 15 -5.100 9.465 -3.976 1.00 42.22 C ATOM 239 C GLU A 15 -4.394 10.022 -5.240 1.00 23.32 C ATOM 240 O GLU A 15 -5.032 10.488 -6.179 1.00 32.04 O ATOM 241 CB GLU A 15 -4.777 10.295 -2.741 1.00 74.42 C ATOM 242 CG GLU A 15 -5.621 11.533 -2.533 1.00 52.14 C ATOM 243 CD GLU A 15 -5.562 12.521 -3.658 1.00 24.32 C ATOM 244 OE1 GLU A 15 -4.572 13.235 -3.754 1.00 74.44 O ATOM 245 OE2 GLU A 15 -6.504 12.583 -4.459 1.00 61.23 O ATOM 0 H GLU A 15 -4.018 8.062 -2.907 1.00 12.12 H new ATOM 0 HA GLU A 15 -6.180 9.475 -4.125 1.00 42.22 H new ATOM 0 HB2 GLU A 15 -4.880 9.658 -1.863 1.00 74.42 H new ATOM 0 HB3 GLU A 15 -3.731 10.598 -2.795 1.00 74.42 H new ATOM 0 HG2 GLU A 15 -6.658 11.230 -2.386 1.00 52.14 H new ATOM 0 HG3 GLU A 15 -5.300 12.026 -1.616 1.00 52.14 H new ATOM 252 N SER A 16 -3.060 9.920 -5.221 1.00 0.22 N ATOM 253 CA SER A 16 -2.163 10.247 -6.350 1.00 32.54 C ATOM 254 C SER A 16 -2.117 11.757 -6.709 1.00 13.21 C ATOM 255 O SER A 16 -1.375 12.153 -7.590 1.00 24.40 O ATOM 256 CB SER A 16 -2.521 9.413 -7.594 1.00 63.11 C ATOM 257 OG SER A 16 -2.647 8.031 -7.274 1.00 43.45 O ATOM 0 H SER A 16 -2.553 9.598 -4.396 1.00 0.22 H new ATOM 0 HA SER A 16 -1.161 9.987 -6.009 1.00 32.54 H new ATOM 0 HB2 SER A 16 -3.456 9.776 -8.021 1.00 63.11 H new ATOM 0 HB3 SER A 16 -1.752 9.543 -8.355 1.00 63.11 H new ATOM 0 HG SER A 16 -2.876 7.528 -8.083 1.00 43.45 H new ATOM 263 N HIS A 17 -2.881 12.586 -6.029 1.00 32.43 N ATOM 264 CA HIS A 17 -2.875 14.021 -6.314 1.00 43.22 C ATOM 265 C HIS A 17 -2.287 14.771 -5.153 1.00 22.43 C ATOM 266 O HIS A 17 -2.481 15.983 -5.009 1.00 54.04 O ATOM 267 CB HIS A 17 -4.287 14.544 -6.606 1.00 60.41 C ATOM 268 CG HIS A 17 -4.890 13.975 -7.834 1.00 23.22 C ATOM 269 ND1 HIS A 17 -4.574 14.422 -9.092 1.00 52.34 N ATOM 270 CD2 HIS A 17 -5.782 12.980 -8.007 1.00 31.22 C ATOM 271 CE1 HIS A 17 -5.233 13.737 -9.979 1.00 33.31 C ATOM 272 NE2 HIS A 17 -5.981 12.851 -9.354 1.00 21.04 N ATOM 0 H HIS A 17 -3.512 12.302 -5.279 1.00 32.43 H new ATOM 0 HA HIS A 17 -2.265 14.182 -7.203 1.00 43.22 H new ATOM 0 HB2 HIS A 17 -4.932 14.318 -5.757 1.00 60.41 H new ATOM 0 HB3 HIS A 17 -4.251 15.629 -6.699 1.00 60.41 H new ATOM 0 HD2 HIS A 17 -6.251 12.395 -7.229 1.00 31.22 H new ATOM 0 HE1 HIS A 17 -5.177 13.872 -11.049 1.00 33.31 H new ATOM 0 HE2 HIS A 17 -6.605 12.180 -9.801 1.00 21.04 H new ATOM 281 N VAL A 18 -1.513 14.075 -4.362 1.00 15.14 N ATOM 282 CA VAL A 18 -0.957 14.637 -3.159 1.00 2.34 C ATOM 283 C VAL A 18 0.407 15.203 -3.450 1.00 75.43 C ATOM 284 O VAL A 18 1.233 14.553 -4.095 1.00 20.33 O ATOM 285 CB VAL A 18 -0.818 13.564 -2.041 1.00 63.13 C ATOM 286 CG1 VAL A 18 -0.315 14.187 -0.740 1.00 73.32 C ATOM 287 CG2 VAL A 18 -2.137 12.838 -1.824 1.00 24.10 C ATOM 0 H VAL A 18 -1.251 13.104 -4.533 1.00 15.14 H new ATOM 0 HA VAL A 18 -1.634 15.419 -2.814 1.00 2.34 H new ATOM 0 HB VAL A 18 -0.078 12.832 -2.366 1.00 63.13 H new ATOM 0 HG11 VAL A 18 -0.227 13.414 0.024 1.00 73.32 H new ATOM 0 HG12 VAL A 18 0.661 14.643 -0.908 1.00 73.32 H new ATOM 0 HG13 VAL A 18 -1.019 14.949 -0.406 1.00 73.32 H new ATOM 0 HG21 VAL A 18 -2.017 12.092 -1.038 1.00 24.10 H new ATOM 0 HG22 VAL A 18 -2.903 13.555 -1.530 1.00 24.10 H new ATOM 0 HG23 VAL A 18 -2.438 12.345 -2.749 1.00 24.10 H new ATOM 297 N ALA A 19 0.619 16.414 -3.019 1.00 45.13 N ATOM 298 CA ALA A 19 1.882 17.070 -3.169 1.00 4.14 C ATOM 299 C ALA A 19 2.643 17.026 -1.843 1.00 32.45 C ATOM 300 O ALA A 19 2.034 16.879 -0.781 1.00 43.33 O ATOM 301 CB ALA A 19 1.665 18.505 -3.625 1.00 3.54 C ATOM 0 H ALA A 19 -0.089 16.978 -2.549 1.00 45.13 H new ATOM 0 HA ALA A 19 2.476 16.557 -3.925 1.00 4.14 H new ATOM 0 HB1 ALA A 19 2.629 19.001 -3.738 1.00 3.54 H new ATOM 0 HB2 ALA A 19 1.141 18.508 -4.581 1.00 3.54 H new ATOM 0 HB3 ALA A 19 1.069 19.036 -2.883 1.00 3.54 H new ATOM 307 N ARG A 20 3.959 17.158 -1.916 1.00 33.31 N ATOM 308 CA ARG A 20 4.862 17.136 -0.766 1.00 2.44 C ATOM 309 C ARG A 20 4.457 18.152 0.331 1.00 65.13 C ATOM 310 O ARG A 20 4.679 17.919 1.516 1.00 54.34 O ATOM 311 CB ARG A 20 6.277 17.421 -1.281 1.00 74.34 C ATOM 312 CG ARG A 20 7.417 17.461 -0.263 1.00 72.54 C ATOM 313 CD ARG A 20 7.576 16.187 0.530 1.00 72.11 C ATOM 314 NE ARG A 20 6.692 16.102 1.696 1.00 54.44 N ATOM 315 CZ ARG A 20 6.922 15.311 2.751 1.00 62.53 C ATOM 316 NH1 ARG A 20 7.967 14.486 2.752 1.00 13.11 N ATOM 317 NH2 ARG A 20 6.108 15.350 3.800 1.00 62.21 N ATOM 0 H ARG A 20 4.447 17.288 -2.802 1.00 33.31 H new ATOM 0 HA ARG A 20 4.811 16.156 -0.292 1.00 2.44 H new ATOM 0 HB2 ARG A 20 6.520 16.663 -2.025 1.00 74.34 H new ATOM 0 HB3 ARG A 20 6.257 18.380 -1.798 1.00 74.34 H new ATOM 0 HG2 ARG A 20 8.350 17.670 -0.786 1.00 72.54 H new ATOM 0 HG3 ARG A 20 7.246 18.287 0.427 1.00 72.54 H new ATOM 0 HD2 ARG A 20 7.383 15.337 -0.124 1.00 72.11 H new ATOM 0 HD3 ARG A 20 8.611 16.104 0.863 1.00 72.11 H new ATOM 0 HE ARG A 20 5.852 16.680 1.704 1.00 54.44 H new ATOM 0 HH11 ARG A 20 8.594 14.456 1.948 1.00 13.11 H new ATOM 0 HH12 ARG A 20 8.141 13.884 3.557 1.00 13.11 H new ATOM 0 HH21 ARG A 20 5.308 15.983 3.801 1.00 62.21 H new ATOM 0 HH22 ARG A 20 6.283 14.747 4.604 1.00 62.21 H new ATOM 331 N ALA A 21 3.857 19.238 -0.064 1.00 44.14 N ATOM 332 CA ALA A 21 3.444 20.269 0.874 1.00 24.10 C ATOM 333 C ALA A 21 2.134 19.931 1.583 1.00 15.03 C ATOM 334 O ALA A 21 1.821 20.514 2.619 1.00 22.10 O ATOM 335 CB ALA A 21 3.289 21.570 0.154 1.00 44.24 C ATOM 0 H ALA A 21 3.636 19.443 -1.038 1.00 44.14 H new ATOM 0 HA ALA A 21 4.222 20.338 1.635 1.00 24.10 H new ATOM 0 HB1 ALA A 21 2.979 22.341 0.859 1.00 44.24 H new ATOM 0 HB2 ALA A 21 4.240 21.852 -0.297 1.00 44.24 H new ATOM 0 HB3 ALA A 21 2.534 21.467 -0.625 1.00 44.24 H new ATOM 341 N ASN A 22 1.379 19.002 1.032 1.00 63.43 N ATOM 342 CA ASN A 22 0.063 18.643 1.587 1.00 52.30 C ATOM 343 C ASN A 22 0.161 17.342 2.379 1.00 50.32 C ATOM 344 O ASN A 22 -0.815 16.833 2.910 1.00 33.12 O ATOM 345 CB ASN A 22 -0.974 18.537 0.439 1.00 61.54 C ATOM 346 CG ASN A 22 -2.409 18.184 0.877 1.00 23.24 C ATOM 347 OD1 ASN A 22 -2.859 18.502 1.994 1.00 62.03 O ATOM 348 ND2 ASN A 22 -3.142 17.552 -0.013 1.00 4.22 N ATOM 0 H ASN A 22 1.643 18.474 0.200 1.00 63.43 H new ATOM 0 HA ASN A 22 -0.269 19.421 2.274 1.00 52.30 H new ATOM 0 HB2 ASN A 22 -0.998 19.487 -0.095 1.00 61.54 H new ATOM 0 HB3 ASN A 22 -0.632 17.782 -0.269 1.00 61.54 H new ATOM 0 HD21 ASN A 22 -4.109 17.308 0.203 1.00 4.22 H new ATOM 0 HD22 ASN A 22 -2.744 17.305 -0.919 1.00 4.22 H new ATOM 355 N VAL A 23 1.343 16.823 2.479 1.00 55.11 N ATOM 356 CA VAL A 23 1.539 15.587 3.204 1.00 14.41 C ATOM 357 C VAL A 23 2.216 15.772 4.579 1.00 0.13 C ATOM 358 O VAL A 23 3.357 16.250 4.681 1.00 1.13 O ATOM 359 CB VAL A 23 2.235 14.491 2.348 1.00 71.32 C ATOM 360 CG1 VAL A 23 3.475 15.012 1.681 1.00 53.22 C ATOM 361 CG2 VAL A 23 2.572 13.291 3.197 1.00 0.51 C ATOM 0 H VAL A 23 2.189 17.225 2.074 1.00 55.11 H new ATOM 0 HA VAL A 23 0.533 15.226 3.420 1.00 14.41 H new ATOM 0 HB VAL A 23 1.534 14.193 1.569 1.00 71.32 H new ATOM 0 HG11 VAL A 23 3.933 14.217 1.092 1.00 53.22 H new ATOM 0 HG12 VAL A 23 3.214 15.844 1.027 1.00 53.22 H new ATOM 0 HG13 VAL A 23 4.180 15.354 2.439 1.00 53.22 H new ATOM 0 HG21 VAL A 23 3.058 12.535 2.581 1.00 0.51 H new ATOM 0 HG22 VAL A 23 3.244 13.591 4.001 1.00 0.51 H new ATOM 0 HG23 VAL A 23 1.658 12.879 3.623 1.00 0.51 H new ATOM 371 N LYS A 24 1.483 15.383 5.630 1.00 24.34 N ATOM 372 CA LYS A 24 1.952 15.453 7.021 1.00 24.24 C ATOM 373 C LYS A 24 2.833 14.263 7.295 1.00 3.01 C ATOM 374 O LYS A 24 4.028 14.368 7.525 1.00 14.31 O ATOM 375 CB LYS A 24 0.764 15.308 8.002 1.00 15.41 C ATOM 376 CG LYS A 24 -0.382 16.226 7.771 1.00 23.32 C ATOM 377 CD LYS A 24 -1.521 16.008 8.749 1.00 23.02 C ATOM 378 CE LYS A 24 -1.127 16.439 10.138 1.00 34.14 C ATOM 379 NZ LYS A 24 -2.221 16.257 11.108 1.00 34.34 N ATOM 0 H LYS A 24 0.539 15.007 5.539 1.00 24.34 H new ATOM 0 HA LYS A 24 2.465 16.405 7.155 1.00 24.24 H new ATOM 0 HB2 LYS A 24 0.399 14.282 7.952 1.00 15.41 H new ATOM 0 HB3 LYS A 24 1.133 15.466 9.015 1.00 15.41 H new ATOM 0 HG2 LYS A 24 -0.036 17.257 7.848 1.00 23.32 H new ATOM 0 HG3 LYS A 24 -0.751 16.089 6.755 1.00 23.32 H new ATOM 0 HD2 LYS A 24 -2.397 16.570 8.424 1.00 23.02 H new ATOM 0 HD3 LYS A 24 -1.802 14.955 8.757 1.00 23.02 H new ATOM 0 HE2 LYS A 24 -0.258 15.866 10.461 1.00 34.14 H new ATOM 0 HE3 LYS A 24 -0.830 17.487 10.121 1.00 34.14 H new ATOM 0 HZ1 LYS A 24 -1.905 16.566 12.049 1.00 34.34 H new ATOM 0 HZ2 LYS A 24 -3.043 16.823 10.815 1.00 34.34 H new ATOM 0 HZ3 LYS A 24 -2.488 15.253 11.145 1.00 34.34 H new ATOM 393 N HIS A 25 2.193 13.135 7.243 1.00 4.24 N ATOM 394 CA HIS A 25 2.759 11.872 7.568 1.00 25.25 C ATOM 395 C HIS A 25 3.062 11.135 6.303 1.00 54.14 C ATOM 396 O HIS A 25 2.222 11.085 5.424 1.00 74.11 O ATOM 397 CB HIS A 25 1.722 11.106 8.396 1.00 62.21 C ATOM 398 CG HIS A 25 2.101 9.702 8.764 1.00 52.22 C ATOM 399 ND1 HIS A 25 2.619 9.355 9.983 1.00 75.53 N ATOM 400 CD2 HIS A 25 1.996 8.550 8.059 1.00 13.24 C ATOM 401 CE1 HIS A 25 2.819 8.060 10.022 1.00 1.53 C ATOM 402 NE2 HIS A 25 2.447 7.540 8.868 1.00 71.15 N ATOM 0 H HIS A 25 1.215 13.073 6.959 1.00 4.24 H new ATOM 0 HA HIS A 25 3.684 11.983 8.134 1.00 25.25 H new ATOM 0 HB2 HIS A 25 1.530 11.664 9.312 1.00 62.21 H new ATOM 0 HB3 HIS A 25 0.786 11.077 7.838 1.00 62.21 H new ATOM 0 HD1 HIS A 25 2.819 10.004 10.744 1.00 75.53 H new ATOM 0 HD2 HIS A 25 1.626 8.447 7.049 1.00 13.24 H new ATOM 0 HE1 HIS A 25 3.222 7.510 10.860 1.00 1.53 H new ATOM 411 N LEU A 26 4.223 10.558 6.224 1.00 33.15 N ATOM 412 CA LEU A 26 4.627 9.840 5.054 1.00 63.41 C ATOM 413 C LEU A 26 5.298 8.529 5.487 1.00 63.23 C ATOM 414 O LEU A 26 6.379 8.532 6.066 1.00 14.14 O ATOM 415 CB LEU A 26 5.560 10.733 4.220 1.00 41.45 C ATOM 416 CG LEU A 26 5.979 10.230 2.841 1.00 3.44 C ATOM 417 CD1 LEU A 26 4.764 9.970 1.973 1.00 14.42 C ATOM 418 CD2 LEU A 26 6.847 11.267 2.174 1.00 44.43 C ATOM 0 H LEU A 26 4.918 10.572 6.971 1.00 33.15 H new ATOM 0 HA LEU A 26 3.772 9.583 4.429 1.00 63.41 H new ATOM 0 HB2 LEU A 26 5.072 11.699 4.090 1.00 41.45 H new ATOM 0 HB3 LEU A 26 6.465 10.908 4.802 1.00 41.45 H new ATOM 0 HG LEU A 26 6.531 9.298 2.964 1.00 3.44 H new ATOM 0 HD11 LEU A 26 5.085 9.612 0.995 1.00 14.42 H new ATOM 0 HD12 LEU A 26 4.134 9.217 2.446 1.00 14.42 H new ATOM 0 HD13 LEU A 26 4.198 10.894 1.853 1.00 14.42 H new ATOM 0 HD21 LEU A 26 7.148 10.911 1.189 1.00 44.43 H new ATOM 0 HD22 LEU A 26 6.287 12.196 2.068 1.00 44.43 H new ATOM 0 HD23 LEU A 26 7.734 11.445 2.782 1.00 44.43 H new ATOM 430 N LYS A 27 4.619 7.433 5.238 1.00 73.32 N ATOM 431 CA LYS A 27 5.050 6.117 5.648 1.00 34.35 C ATOM 432 C LYS A 27 5.174 5.238 4.424 1.00 74.12 C ATOM 433 O LYS A 27 4.262 5.162 3.643 1.00 1.31 O ATOM 434 CB LYS A 27 3.994 5.528 6.608 1.00 2.44 C ATOM 435 CG LYS A 27 4.333 4.156 7.185 1.00 25.14 C ATOM 436 CD LYS A 27 5.681 4.163 7.887 1.00 70.13 C ATOM 437 CE LYS A 27 5.738 5.180 9.017 1.00 42.43 C ATOM 438 NZ LYS A 27 7.053 5.195 9.676 1.00 75.22 N ATOM 0 H LYS A 27 3.732 7.432 4.734 1.00 73.32 H new ATOM 0 HA LYS A 27 6.014 6.172 6.153 1.00 34.35 H new ATOM 0 HB2 LYS A 27 3.847 6.225 7.433 1.00 2.44 H new ATOM 0 HB3 LYS A 27 3.044 5.457 6.078 1.00 2.44 H new ATOM 0 HG2 LYS A 27 3.557 3.855 7.889 1.00 25.14 H new ATOM 0 HG3 LYS A 27 4.343 3.416 6.385 1.00 25.14 H new ATOM 0 HD2 LYS A 27 5.886 3.169 8.285 1.00 70.13 H new ATOM 0 HD3 LYS A 27 6.465 4.384 7.162 1.00 70.13 H new ATOM 0 HE2 LYS A 27 5.518 6.172 8.624 1.00 42.43 H new ATOM 0 HE3 LYS A 27 4.966 4.950 9.752 1.00 42.43 H new ATOM 0 HZ1 LYS A 27 7.051 5.901 10.440 1.00 75.22 H new ATOM 0 HZ2 LYS A 27 7.253 4.255 10.074 1.00 75.22 H new ATOM 0 HZ3 LYS A 27 7.787 5.440 8.981 1.00 75.22 H new ATOM 452 N ILE A 28 6.277 4.583 4.254 1.00 3.54 N ATOM 453 CA ILE A 28 6.444 3.770 3.071 1.00 70.45 C ATOM 454 C ILE A 28 6.221 2.312 3.402 1.00 64.10 C ATOM 455 O ILE A 28 6.932 1.744 4.235 1.00 14.13 O ATOM 456 CB ILE A 28 7.844 3.919 2.468 1.00 25.23 C ATOM 457 CG1 ILE A 28 8.187 5.376 2.339 1.00 12.54 C ATOM 458 CG2 ILE A 28 7.893 3.305 1.088 1.00 31.55 C ATOM 459 CD1 ILE A 28 9.445 5.601 1.580 1.00 40.41 C ATOM 0 H ILE A 28 7.067 4.587 4.899 1.00 3.54 H new ATOM 0 HA ILE A 28 5.709 4.114 2.344 1.00 70.45 H new ATOM 0 HB ILE A 28 8.552 3.414 3.124 1.00 25.23 H new ATOM 0 HG12 ILE A 28 7.368 5.896 1.841 1.00 12.54 H new ATOM 0 HG13 ILE A 28 8.284 5.812 3.333 1.00 12.54 H new ATOM 0 HG21 ILE A 28 8.895 3.420 0.674 1.00 31.55 H new ATOM 0 HG22 ILE A 28 7.646 2.245 1.152 1.00 31.55 H new ATOM 0 HG23 ILE A 28 7.173 3.807 0.441 1.00 31.55 H new ATOM 0 HD11 ILE A 28 9.645 6.671 1.517 1.00 40.41 H new ATOM 0 HD12 ILE A 28 10.271 5.106 2.091 1.00 40.41 H new ATOM 0 HD13 ILE A 28 9.342 5.191 0.575 1.00 40.41 H new ATOM 471 N LEU A 29 5.251 1.704 2.772 1.00 33.23 N ATOM 472 CA LEU A 29 4.988 0.315 3.003 1.00 71.14 C ATOM 473 C LEU A 29 5.416 -0.501 1.803 1.00 2.30 C ATOM 474 O LEU A 29 4.870 -0.366 0.702 1.00 51.03 O ATOM 475 CB LEU A 29 3.514 0.079 3.330 1.00 5.35 C ATOM 476 CG LEU A 29 2.977 0.818 4.561 1.00 21.31 C ATOM 477 CD1 LEU A 29 1.516 0.495 4.783 1.00 12.53 C ATOM 478 CD2 LEU A 29 3.795 0.477 5.800 1.00 22.25 C ATOM 0 H LEU A 29 4.632 2.151 2.096 1.00 33.23 H new ATOM 0 HA LEU A 29 5.569 -0.007 3.867 1.00 71.14 H new ATOM 0 HB2 LEU A 29 2.918 0.372 2.465 1.00 5.35 H new ATOM 0 HB3 LEU A 29 3.360 -0.990 3.476 1.00 5.35 H new ATOM 0 HG LEU A 29 3.068 1.889 4.378 1.00 21.31 H new ATOM 0 HD11 LEU A 29 1.155 1.030 5.661 1.00 12.53 H new ATOM 0 HD12 LEU A 29 0.939 0.800 3.910 1.00 12.53 H new ATOM 0 HD13 LEU A 29 1.400 -0.578 4.938 1.00 12.53 H new ATOM 0 HD21 LEU A 29 3.394 1.014 6.660 1.00 22.25 H new ATOM 0 HD22 LEU A 29 3.744 -0.596 5.986 1.00 22.25 H new ATOM 0 HD23 LEU A 29 4.833 0.769 5.642 1.00 22.25 H new ATOM 490 N ASN A 30 6.393 -1.323 2.014 1.00 23.02 N ATOM 491 CA ASN A 30 6.913 -2.180 0.982 1.00 11.45 C ATOM 492 C ASN A 30 6.395 -3.571 1.179 1.00 15.35 C ATOM 493 O ASN A 30 6.281 -4.043 2.311 1.00 55.34 O ATOM 494 CB ASN A 30 8.452 -2.139 0.943 1.00 74.43 C ATOM 495 CG ASN A 30 9.101 -2.462 2.271 1.00 64.53 C ATOM 496 OD1 ASN A 30 9.336 -1.568 3.090 1.00 63.25 O ATOM 497 ND2 ASN A 30 9.412 -3.700 2.486 1.00 0.12 N ATOM 0 H ASN A 30 6.861 -1.424 2.914 1.00 23.02 H new ATOM 0 HA ASN A 30 6.569 -1.819 0.013 1.00 11.45 H new ATOM 0 HB2 ASN A 30 8.807 -2.846 0.193 1.00 74.43 H new ATOM 0 HB3 ASN A 30 8.773 -1.148 0.623 1.00 74.43 H new ATOM 0 HD21 ASN A 30 9.869 -3.967 3.358 1.00 0.12 H new ATOM 0 HD22 ASN A 30 9.200 -4.408 1.783 1.00 0.12 H new ATOM 504 N THR A 31 6.063 -4.217 0.096 1.00 31.32 N ATOM 505 CA THR A 31 5.472 -5.525 0.141 1.00 42.42 C ATOM 506 C THR A 31 6.018 -6.426 -0.957 1.00 53.12 C ATOM 507 O THR A 31 5.776 -6.189 -2.135 1.00 33.05 O ATOM 508 CB THR A 31 3.934 -5.434 0.052 1.00 43.33 C ATOM 509 OG1 THR A 31 3.568 -4.501 -0.968 1.00 34.31 O ATOM 510 CG2 THR A 31 3.333 -5.023 1.381 1.00 32.41 C ATOM 0 H THR A 31 6.195 -3.850 -0.846 1.00 31.32 H new ATOM 0 HA THR A 31 5.739 -5.971 1.099 1.00 42.42 H new ATOM 0 HB THR A 31 3.542 -6.419 -0.200 1.00 43.33 H new ATOM 0 HG1 THR A 31 4.377 -4.105 -1.355 1.00 34.31 H new ATOM 0 HG21 THR A 31 2.248 -4.967 1.288 1.00 32.41 H new ATOM 0 HG22 THR A 31 3.595 -5.759 2.142 1.00 32.41 H new ATOM 0 HG23 THR A 31 3.723 -4.047 1.671 1.00 32.41 H new ATOM 518 N PRO A 32 6.765 -7.477 -0.579 1.00 22.32 N ATOM 519 CA PRO A 32 7.371 -8.420 -1.539 1.00 62.33 C ATOM 520 C PRO A 32 6.327 -9.124 -2.409 1.00 75.35 C ATOM 521 O PRO A 32 6.601 -9.514 -3.551 1.00 43.43 O ATOM 522 CB PRO A 32 8.080 -9.444 -0.641 1.00 11.52 C ATOM 523 CG PRO A 32 8.273 -8.743 0.661 1.00 75.40 C ATOM 524 CD PRO A 32 7.097 -7.823 0.816 1.00 23.13 C ATOM 0 HA PRO A 32 8.033 -7.908 -2.238 1.00 62.33 H new ATOM 0 HB2 PRO A 32 7.480 -10.346 -0.519 1.00 11.52 H new ATOM 0 HB3 PRO A 32 9.034 -9.752 -1.069 1.00 11.52 H new ATOM 0 HG2 PRO A 32 8.321 -9.456 1.484 1.00 75.40 H new ATOM 0 HG3 PRO A 32 9.209 -8.184 0.668 1.00 75.40 H new ATOM 0 HD2 PRO A 32 6.264 -8.313 1.320 1.00 23.13 H new ATOM 0 HD3 PRO A 32 7.349 -6.940 1.403 1.00 23.13 H new ATOM 532 N ASN A 33 5.129 -9.264 -1.883 1.00 70.42 N ATOM 533 CA ASN A 33 4.070 -9.939 -2.612 1.00 34.21 C ATOM 534 C ASN A 33 3.278 -8.951 -3.458 1.00 54.24 C ATOM 535 O ASN A 33 2.381 -9.339 -4.199 1.00 64.55 O ATOM 536 CB ASN A 33 3.121 -10.713 -1.669 1.00 71.12 C ATOM 537 CG ASN A 33 3.820 -11.795 -0.844 1.00 43.21 C ATOM 538 OD1 ASN A 33 3.950 -12.939 -1.274 1.00 62.21 O ATOM 539 ND2 ASN A 33 4.245 -11.456 0.347 1.00 20.42 N ATOM 0 H ASN A 33 4.862 -8.923 -0.959 1.00 70.42 H new ATOM 0 HA ASN A 33 4.549 -10.664 -3.270 1.00 34.21 H new ATOM 0 HB2 ASN A 33 2.640 -10.007 -0.992 1.00 71.12 H new ATOM 0 HB3 ASN A 33 2.331 -11.174 -2.262 1.00 71.12 H new ATOM 0 HD21 ASN A 33 4.697 -12.149 0.943 1.00 20.42 H new ATOM 0 HD22 ASN A 33 4.124 -10.499 0.678 1.00 20.42 H new ATOM 546 N CYS A 34 3.620 -7.678 -3.363 1.00 72.10 N ATOM 547 CA CYS A 34 2.914 -6.660 -4.117 1.00 73.31 C ATOM 548 C CYS A 34 3.855 -5.742 -4.877 1.00 52.44 C ATOM 549 O CYS A 34 4.212 -6.017 -6.028 1.00 10.31 O ATOM 550 CB CYS A 34 2.000 -5.813 -3.223 1.00 31.31 C ATOM 551 SG CYS A 34 0.682 -6.707 -2.371 1.00 10.14 S ATOM 0 H CYS A 34 4.377 -7.327 -2.776 1.00 72.10 H new ATOM 0 HA CYS A 34 2.303 -7.204 -4.837 1.00 73.31 H new ATOM 0 HB2 CYS A 34 2.616 -5.314 -2.475 1.00 31.31 H new ATOM 0 HB3 CYS A 34 1.547 -5.033 -3.835 1.00 31.31 H new ATOM 556 N ALA A 35 4.300 -4.689 -4.193 1.00 52.51 N ATOM 557 CA ALA A 35 5.090 -3.606 -4.751 1.00 15.32 C ATOM 558 C ALA A 35 5.197 -2.544 -3.671 1.00 60.21 C ATOM 559 O ALA A 35 4.986 -2.846 -2.481 1.00 2.23 O ATOM 560 CB ALA A 35 4.363 -3.008 -5.956 1.00 54.21 C ATOM 0 H ALA A 35 4.110 -4.568 -3.198 1.00 52.51 H new ATOM 0 HA ALA A 35 6.070 -3.962 -5.069 1.00 15.32 H new ATOM 0 HB1 ALA A 35 4.958 -2.195 -6.373 1.00 54.21 H new ATOM 0 HB2 ALA A 35 4.219 -3.779 -6.713 1.00 54.21 H new ATOM 0 HB3 ALA A 35 3.393 -2.623 -5.641 1.00 54.21 H new ATOM 566 N LEU A 36 5.518 -1.333 -4.049 1.00 73.32 N ATOM 567 CA LEU A 36 5.530 -0.241 -3.110 1.00 24.41 C ATOM 568 C LEU A 36 4.209 0.448 -3.026 1.00 30.40 C ATOM 569 O LEU A 36 3.529 0.677 -4.031 1.00 20.21 O ATOM 570 CB LEU A 36 6.629 0.790 -3.373 1.00 31.25 C ATOM 571 CG LEU A 36 8.006 0.523 -2.766 1.00 31.40 C ATOM 572 CD1 LEU A 36 7.940 0.500 -1.255 1.00 44.22 C ATOM 573 CD2 LEU A 36 8.627 -0.741 -3.294 1.00 61.41 C ATOM 0 H LEU A 36 5.775 -1.078 -5.003 1.00 73.32 H new ATOM 0 HA LEU A 36 5.749 -0.712 -2.152 1.00 24.41 H new ATOM 0 HB2 LEU A 36 6.750 0.885 -4.452 1.00 31.25 H new ATOM 0 HB3 LEU A 36 6.280 1.755 -3.005 1.00 31.25 H new ATOM 0 HG LEU A 36 8.650 1.348 -3.070 1.00 31.40 H new ATOM 0 HD11 LEU A 36 8.934 0.308 -0.850 1.00 44.22 H new ATOM 0 HD12 LEU A 36 7.580 1.463 -0.892 1.00 44.22 H new ATOM 0 HD13 LEU A 36 7.259 -0.287 -0.933 1.00 44.22 H new ATOM 0 HD21 LEU A 36 9.604 -0.887 -2.833 1.00 61.41 H new ATOM 0 HD22 LEU A 36 7.984 -1.589 -3.057 1.00 61.41 H new ATOM 0 HD23 LEU A 36 8.744 -0.665 -4.375 1.00 61.41 H new ATOM 585 N GLN A 37 3.858 0.758 -1.828 1.00 60.42 N ATOM 586 CA GLN A 37 2.669 1.521 -1.507 1.00 60.22 C ATOM 587 C GLN A 37 3.029 2.487 -0.410 1.00 42.04 C ATOM 588 O GLN A 37 3.306 2.082 0.716 1.00 52.15 O ATOM 589 CB GLN A 37 1.435 0.664 -1.057 1.00 30.44 C ATOM 590 CG GLN A 37 0.811 -0.284 -2.108 1.00 10.44 C ATOM 591 CD GLN A 37 1.608 -1.548 -2.396 1.00 51.12 C ATOM 592 OE1 GLN A 37 1.580 -2.079 -3.503 1.00 53.12 O ATOM 593 NE2 GLN A 37 2.284 -2.051 -1.405 1.00 0.31 N ATOM 0 H GLN A 37 4.398 0.486 -1.006 1.00 60.42 H new ATOM 0 HA GLN A 37 2.354 2.019 -2.424 1.00 60.22 H new ATOM 0 HB2 GLN A 37 1.736 0.065 -0.198 1.00 30.44 H new ATOM 0 HB3 GLN A 37 0.657 1.346 -0.714 1.00 30.44 H new ATOM 0 HG2 GLN A 37 -0.184 -0.571 -1.769 1.00 10.44 H new ATOM 0 HG3 GLN A 37 0.684 0.266 -3.040 1.00 10.44 H new ATOM 0 HE21 GLN A 37 2.285 -1.583 -0.499 1.00 0.31 H new ATOM 0 HE22 GLN A 37 2.813 -2.913 -1.534 1.00 0.31 H new ATOM 602 N ILE A 38 3.060 3.736 -0.723 1.00 45.32 N ATOM 603 CA ILE A 38 3.435 4.717 0.244 1.00 2.02 C ATOM 604 C ILE A 38 2.167 5.302 0.859 1.00 23.10 C ATOM 605 O ILE A 38 1.163 5.426 0.188 1.00 53.43 O ATOM 606 CB ILE A 38 4.323 5.820 -0.401 1.00 74.00 C ATOM 607 CG1 ILE A 38 5.511 5.141 -1.098 1.00 52.51 C ATOM 608 CG2 ILE A 38 4.824 6.783 0.658 1.00 71.32 C ATOM 609 CD1 ILE A 38 6.568 6.079 -1.640 1.00 71.21 C ATOM 0 H ILE A 38 2.830 4.107 -1.645 1.00 45.32 H new ATOM 0 HA ILE A 38 4.032 4.255 1.030 1.00 2.02 H new ATOM 0 HB ILE A 38 3.737 6.387 -1.125 1.00 74.00 H new ATOM 0 HG12 ILE A 38 5.983 4.458 -0.392 1.00 52.51 H new ATOM 0 HG13 ILE A 38 5.130 4.536 -1.921 1.00 52.51 H new ATOM 0 HG21 ILE A 38 5.443 7.548 0.190 1.00 71.32 H new ATOM 0 HG22 ILE A 38 3.975 7.255 1.151 1.00 71.32 H new ATOM 0 HG23 ILE A 38 5.415 6.239 1.395 1.00 71.32 H new ATOM 0 HD11 ILE A 38 7.361 5.499 -2.112 1.00 71.21 H new ATOM 0 HD12 ILE A 38 6.119 6.746 -2.376 1.00 71.21 H new ATOM 0 HD13 ILE A 38 6.985 6.668 -0.823 1.00 71.21 H new ATOM 621 N VAL A 39 2.202 5.595 2.120 1.00 23.23 N ATOM 622 CA VAL A 39 1.043 6.103 2.844 1.00 72.32 C ATOM 623 C VAL A 39 1.296 7.531 3.290 1.00 74.13 C ATOM 624 O VAL A 39 2.365 7.844 3.810 1.00 44.12 O ATOM 625 CB VAL A 39 0.726 5.218 4.088 1.00 23.45 C ATOM 626 CG1 VAL A 39 -0.456 5.763 4.881 1.00 54.03 C ATOM 627 CG2 VAL A 39 0.466 3.783 3.670 1.00 51.35 C ATOM 0 H VAL A 39 3.037 5.493 2.697 1.00 23.23 H new ATOM 0 HA VAL A 39 0.186 6.075 2.171 1.00 72.32 H new ATOM 0 HB VAL A 39 1.600 5.242 4.738 1.00 23.45 H new ATOM 0 HG11 VAL A 39 -0.646 5.119 5.740 1.00 54.03 H new ATOM 0 HG12 VAL A 39 -0.228 6.771 5.227 1.00 54.03 H new ATOM 0 HG13 VAL A 39 -1.340 5.789 4.244 1.00 54.03 H new ATOM 0 HG21 VAL A 39 0.247 3.181 4.552 1.00 51.35 H new ATOM 0 HG22 VAL A 39 -0.384 3.751 2.988 1.00 51.35 H new ATOM 0 HG23 VAL A 39 1.348 3.384 3.169 1.00 51.35 H new ATOM 637 N ALA A 40 0.329 8.390 3.090 1.00 53.11 N ATOM 638 CA ALA A 40 0.468 9.767 3.458 1.00 74.23 C ATOM 639 C ALA A 40 -0.787 10.309 4.066 1.00 64.32 C ATOM 640 O ALA A 40 -1.867 9.856 3.774 1.00 1.14 O ATOM 641 CB ALA A 40 0.791 10.564 2.258 1.00 64.31 C ATOM 0 H ALA A 40 -0.570 8.152 2.670 1.00 53.11 H new ATOM 0 HA ALA A 40 1.267 9.833 4.197 1.00 74.23 H new ATOM 0 HB1 ALA A 40 0.897 11.613 2.536 1.00 64.31 H new ATOM 0 HB2 ALA A 40 1.725 10.207 1.825 1.00 64.31 H new ATOM 0 HB3 ALA A 40 -0.011 10.462 1.527 1.00 64.31 H new ATOM 647 N ARG A 41 -0.646 11.255 4.931 1.00 40.50 N ATOM 648 CA ARG A 41 -1.779 11.903 5.486 1.00 65.31 C ATOM 649 C ARG A 41 -1.828 13.353 5.057 1.00 41.41 C ATOM 650 O ARG A 41 -0.825 14.057 5.122 1.00 40.22 O ATOM 651 CB ARG A 41 -1.835 11.722 6.968 1.00 32.31 C ATOM 652 CG ARG A 41 -3.037 12.337 7.608 1.00 54.41 C ATOM 653 CD ARG A 41 -3.125 11.871 9.002 1.00 12.15 C ATOM 654 NE ARG A 41 -4.204 12.512 9.742 1.00 33.25 N ATOM 655 CZ ARG A 41 -4.476 12.305 11.033 1.00 4.23 C ATOM 656 NH1 ARG A 41 -3.768 11.412 11.741 1.00 0.02 N ATOM 657 NH2 ARG A 41 -5.445 12.993 11.611 1.00 31.34 N ATOM 0 H ARG A 41 0.253 11.597 5.270 1.00 40.50 H new ATOM 0 HA ARG A 41 -2.681 11.433 5.094 1.00 65.31 H new ATOM 0 HB2 ARG A 41 -1.820 10.656 7.195 1.00 32.31 H new ATOM 0 HB3 ARG A 41 -0.938 12.155 7.411 1.00 32.31 H new ATOM 0 HG2 ARG A 41 -2.966 13.424 7.578 1.00 54.41 H new ATOM 0 HG3 ARG A 41 -3.938 12.061 7.061 1.00 54.41 H new ATOM 0 HD2 ARG A 41 -3.275 10.791 9.011 1.00 12.15 H new ATOM 0 HD3 ARG A 41 -2.178 12.066 9.506 1.00 12.15 H new ATOM 0 HE ARG A 41 -4.797 13.169 9.235 1.00 33.25 H new ATOM 0 HH11 ARG A 41 -3.017 10.887 11.294 1.00 0.02 H new ATOM 0 HH12 ARG A 41 -3.981 11.259 12.727 1.00 0.02 H new ATOM 0 HH21 ARG A 41 -5.978 13.675 11.072 1.00 31.34 H new ATOM 0 HH22 ARG A 41 -5.660 12.842 12.597 1.00 31.34 H new ATOM 671 N LEU A 42 -2.984 13.777 4.628 1.00 70.11 N ATOM 672 CA LEU A 42 -3.188 15.095 4.056 1.00 10.21 C ATOM 673 C LEU A 42 -3.274 16.170 5.120 1.00 11.10 C ATOM 674 O LEU A 42 -3.854 15.953 6.171 1.00 14.13 O ATOM 675 CB LEU A 42 -4.464 15.080 3.206 1.00 60.22 C ATOM 676 CG LEU A 42 -4.467 14.057 2.078 1.00 44.11 C ATOM 677 CD1 LEU A 42 -5.734 14.141 1.266 1.00 53.13 C ATOM 678 CD2 LEU A 42 -3.271 14.249 1.200 1.00 5.02 C ATOM 0 H LEU A 42 -3.832 13.211 4.663 1.00 70.11 H new ATOM 0 HA LEU A 42 -2.327 15.335 3.432 1.00 10.21 H new ATOM 0 HB2 LEU A 42 -5.316 14.884 3.858 1.00 60.22 H new ATOM 0 HB3 LEU A 42 -4.611 16.072 2.779 1.00 60.22 H new ATOM 0 HG LEU A 42 -4.421 13.064 2.525 1.00 44.11 H new ATOM 0 HD11 LEU A 42 -5.705 13.398 0.469 1.00 53.13 H new ATOM 0 HD12 LEU A 42 -6.592 13.949 1.910 1.00 53.13 H new ATOM 0 HD13 LEU A 42 -5.822 15.137 0.831 1.00 53.13 H new ATOM 0 HD21 LEU A 42 -3.286 13.511 0.398 1.00 5.02 H new ATOM 0 HD22 LEU A 42 -3.291 15.251 0.771 1.00 5.02 H new ATOM 0 HD23 LEU A 42 -2.363 14.125 1.790 1.00 5.02 H new ATOM 690 N LYS A 43 -2.691 17.322 4.842 1.00 51.40 N ATOM 691 CA LYS A 43 -2.735 18.449 5.775 1.00 11.32 C ATOM 692 C LYS A 43 -4.004 19.225 5.563 1.00 2.31 C ATOM 693 O LYS A 43 -4.654 19.661 6.514 1.00 1.02 O ATOM 694 CB LYS A 43 -1.539 19.407 5.577 1.00 21.33 C ATOM 695 CG LYS A 43 -0.181 18.751 5.692 1.00 32.43 C ATOM 696 CD LYS A 43 0.966 19.749 5.667 1.00 62.44 C ATOM 697 CE LYS A 43 1.001 20.586 6.940 1.00 24.12 C ATOM 698 NZ LYS A 43 2.097 21.578 6.928 1.00 63.43 N ATOM 0 H LYS A 43 -2.180 17.508 3.979 1.00 51.40 H new ATOM 0 HA LYS A 43 -2.690 18.041 6.785 1.00 11.32 H new ATOM 0 HB2 LYS A 43 -1.621 19.872 4.594 1.00 21.33 H new ATOM 0 HB3 LYS A 43 -1.605 20.207 6.314 1.00 21.33 H new ATOM 0 HG2 LYS A 43 -0.137 18.179 6.619 1.00 32.43 H new ATOM 0 HG3 LYS A 43 -0.056 18.042 4.874 1.00 32.43 H new ATOM 0 HD2 LYS A 43 1.911 19.217 5.553 1.00 62.44 H new ATOM 0 HD3 LYS A 43 0.862 20.404 4.802 1.00 62.44 H new ATOM 0 HE2 LYS A 43 0.048 21.102 7.060 1.00 24.12 H new ATOM 0 HE3 LYS A 43 1.118 19.929 7.802 1.00 24.12 H new ATOM 0 HZ1 LYS A 43 2.081 22.123 7.813 1.00 63.43 H new ATOM 0 HZ2 LYS A 43 3.009 21.086 6.840 1.00 63.43 H new ATOM 0 HZ3 LYS A 43 1.973 22.223 6.122 1.00 63.43 H new ATOM 712 N ASN A 44 -4.364 19.375 4.311 1.00 12.15 N ATOM 713 CA ASN A 44 -5.538 20.131 3.937 1.00 72.14 C ATOM 714 C ASN A 44 -6.798 19.363 4.293 1.00 40.23 C ATOM 715 O ASN A 44 -7.742 19.917 4.844 1.00 42.44 O ATOM 716 CB ASN A 44 -5.517 20.420 2.430 1.00 73.10 C ATOM 717 CG ASN A 44 -6.664 21.302 1.978 1.00 23.24 C ATOM 718 OD1 ASN A 44 -7.746 20.819 1.647 1.00 64.10 O ATOM 719 ND2 ASN A 44 -6.429 22.585 1.928 1.00 5.05 N ATOM 0 H ASN A 44 -3.853 18.978 3.523 1.00 12.15 H new ATOM 0 HA ASN A 44 -5.533 21.073 4.485 1.00 72.14 H new ATOM 0 HB2 ASN A 44 -4.573 20.900 2.171 1.00 73.10 H new ATOM 0 HB3 ASN A 44 -5.555 19.477 1.885 1.00 73.10 H new ATOM 0 HD21 ASN A 44 -7.156 23.224 1.606 1.00 5.05 H new ATOM 0 HD22 ASN A 44 -5.519 22.948 2.211 1.00 5.05 H new ATOM 726 N ASN A 45 -6.794 18.079 3.992 1.00 2.22 N ATOM 727 CA ASN A 45 -7.976 17.249 4.212 1.00 12.12 C ATOM 728 C ASN A 45 -7.941 16.594 5.581 1.00 22.31 C ATOM 729 O ASN A 45 -8.971 16.185 6.092 1.00 13.14 O ATOM 730 CB ASN A 45 -8.093 16.132 3.155 1.00 20.12 C ATOM 731 CG ASN A 45 -8.147 16.602 1.706 1.00 32.53 C ATOM 732 OD1 ASN A 45 -7.569 17.611 1.334 1.00 61.30 O ATOM 733 ND2 ASN A 45 -8.837 15.858 0.880 1.00 40.13 N ATOM 0 H ASN A 45 -5.994 17.585 3.597 1.00 2.22 H new ATOM 0 HA ASN A 45 -8.835 17.916 4.137 1.00 12.12 H new ATOM 0 HB2 ASN A 45 -7.244 15.458 3.269 1.00 20.12 H new ATOM 0 HB3 ASN A 45 -8.991 15.551 3.364 1.00 20.12 H new ATOM 0 HD21 ASN A 45 -8.903 16.115 -0.105 1.00 40.13 H new ATOM 0 HD22 ASN A 45 -9.309 15.020 1.221 1.00 40.13 H new ATOM 740 N ASN A 46 -6.737 16.466 6.149 1.00 43.14 N ATOM 741 CA ASN A 46 -6.492 15.790 7.468 1.00 13.20 C ATOM 742 C ASN A 46 -6.674 14.254 7.361 1.00 1.45 C ATOM 743 O ASN A 46 -6.487 13.511 8.330 1.00 12.31 O ATOM 744 CB ASN A 46 -7.391 16.373 8.602 1.00 20.34 C ATOM 745 CG ASN A 46 -7.091 15.798 9.995 1.00 42.11 C ATOM 746 OD1 ASN A 46 -5.952 15.440 10.309 1.00 35.14 O ATOM 747 ND2 ASN A 46 -8.112 15.672 10.820 1.00 5.13 N ATOM 0 H ASN A 46 -5.885 16.825 5.718 1.00 43.14 H new ATOM 0 HA ASN A 46 -5.455 15.992 7.735 1.00 13.20 H new ATOM 0 HB2 ASN A 46 -7.264 17.455 8.632 1.00 20.34 H new ATOM 0 HB3 ASN A 46 -8.436 16.181 8.358 1.00 20.34 H new ATOM 0 HD21 ASN A 46 -7.972 15.269 11.747 1.00 5.13 H new ATOM 0 HD22 ASN A 46 -9.042 15.977 10.531 1.00 5.13 H new ATOM 754 N ARG A 47 -6.988 13.767 6.177 1.00 52.44 N ATOM 755 CA ARG A 47 -7.279 12.364 6.036 1.00 32.12 C ATOM 756 C ARG A 47 -6.057 11.583 5.630 1.00 55.11 C ATOM 757 O ARG A 47 -5.133 12.129 5.023 1.00 2.20 O ATOM 758 CB ARG A 47 -8.407 12.116 5.062 1.00 44.04 C ATOM 759 CG ARG A 47 -8.074 12.433 3.644 1.00 74.33 C ATOM 760 CD ARG A 47 -9.214 12.058 2.732 1.00 41.22 C ATOM 761 NE ARG A 47 -8.875 12.233 1.323 1.00 73.20 N ATOM 762 CZ ARG A 47 -9.473 11.573 0.324 1.00 73.24 C ATOM 763 NH1 ARG A 47 -10.512 10.776 0.575 1.00 71.43 N ATOM 764 NH2 ARG A 47 -9.047 11.729 -0.918 1.00 31.34 N ATOM 0 H ARG A 47 -7.046 14.313 5.318 1.00 52.44 H new ATOM 0 HA ARG A 47 -7.600 12.013 7.017 1.00 32.12 H new ATOM 0 HB2 ARG A 47 -8.705 11.070 5.128 1.00 44.04 H new ATOM 0 HB3 ARG A 47 -9.269 12.712 5.363 1.00 44.04 H new ATOM 0 HG2 ARG A 47 -7.858 13.497 3.545 1.00 74.33 H new ATOM 0 HG3 ARG A 47 -7.173 11.896 3.348 1.00 74.33 H new ATOM 0 HD2 ARG A 47 -9.493 11.019 2.910 1.00 41.22 H new ATOM 0 HD3 ARG A 47 -10.085 12.668 2.973 1.00 41.22 H new ATOM 0 HE ARG A 47 -8.139 12.898 1.086 1.00 73.20 H new ATOM 0 HH11 ARG A 47 -10.853 10.668 1.530 1.00 71.43 H new ATOM 0 HH12 ARG A 47 -10.966 10.274 -0.188 1.00 71.43 H new ATOM 0 HH21 ARG A 47 -8.263 12.352 -1.114 1.00 31.34 H new ATOM 0 HH22 ARG A 47 -9.502 11.226 -1.680 1.00 31.34 H new ATOM 778 N GLN A 48 -6.057 10.329 5.964 1.00 1.13 N ATOM 779 CA GLN A 48 -4.996 9.445 5.654 1.00 4.23 C ATOM 780 C GLN A 48 -5.284 8.806 4.295 1.00 52.44 C ATOM 781 O GLN A 48 -6.405 8.349 4.044 1.00 22.40 O ATOM 782 CB GLN A 48 -4.956 8.372 6.717 1.00 72.34 C ATOM 783 CG GLN A 48 -3.766 7.478 6.641 1.00 23.52 C ATOM 784 CD GLN A 48 -3.892 6.272 7.547 1.00 10.31 C ATOM 785 OE1 GLN A 48 -4.992 5.781 7.802 1.00 1.21 O ATOM 786 NE2 GLN A 48 -2.786 5.788 8.037 1.00 30.14 N ATOM 0 H GLN A 48 -6.822 9.888 6.475 1.00 1.13 H new ATOM 0 HA GLN A 48 -4.042 9.972 5.619 1.00 4.23 H new ATOM 0 HB2 GLN A 48 -4.977 8.847 7.698 1.00 72.34 H new ATOM 0 HB3 GLN A 48 -5.858 7.765 6.638 1.00 72.34 H new ATOM 0 HG2 GLN A 48 -3.631 7.144 5.612 1.00 23.52 H new ATOM 0 HG3 GLN A 48 -2.873 8.042 6.913 1.00 23.52 H new ATOM 0 HE21 GLN A 48 -1.892 6.221 7.804 1.00 30.14 H new ATOM 0 HE22 GLN A 48 -2.814 4.976 8.654 1.00 30.14 H new ATOM 795 N VAL A 49 -4.304 8.789 3.438 1.00 21.04 N ATOM 796 CA VAL A 49 -4.425 8.231 2.098 1.00 52.02 C ATOM 797 C VAL A 49 -3.175 7.477 1.716 1.00 23.30 C ATOM 798 O VAL A 49 -2.200 7.440 2.462 1.00 3.33 O ATOM 799 CB VAL A 49 -4.671 9.323 1.010 1.00 61.34 C ATOM 800 CG1 VAL A 49 -6.050 9.943 1.127 1.00 21.14 C ATOM 801 CG2 VAL A 49 -3.604 10.414 1.084 1.00 51.14 C ATOM 0 H VAL A 49 -3.378 9.166 3.642 1.00 21.04 H new ATOM 0 HA VAL A 49 -5.287 7.565 2.132 1.00 52.02 H new ATOM 0 HB VAL A 49 -4.608 8.825 0.042 1.00 61.34 H new ATOM 0 HG11 VAL A 49 -6.177 10.697 0.350 1.00 21.14 H new ATOM 0 HG12 VAL A 49 -6.808 9.169 1.009 1.00 21.14 H new ATOM 0 HG13 VAL A 49 -6.157 10.409 2.106 1.00 21.14 H new ATOM 0 HG21 VAL A 49 -3.796 11.164 0.316 1.00 51.14 H new ATOM 0 HG22 VAL A 49 -3.633 10.885 2.067 1.00 51.14 H new ATOM 0 HG23 VAL A 49 -2.621 9.973 0.922 1.00 51.14 H new ATOM 811 N CYS A 50 -3.205 6.882 0.570 1.00 73.44 N ATOM 812 CA CYS A 50 -2.046 6.252 0.040 1.00 54.44 C ATOM 813 C CYS A 50 -1.545 6.988 -1.182 1.00 52.35 C ATOM 814 O CYS A 50 -2.332 7.516 -1.993 1.00 31.44 O ATOM 815 CB CYS A 50 -2.252 4.759 -0.212 1.00 74.24 C ATOM 816 SG CYS A 50 -2.431 3.771 1.322 1.00 4.34 S ATOM 0 H CYS A 50 -4.033 6.820 -0.023 1.00 73.44 H new ATOM 0 HA CYS A 50 -1.265 6.311 0.798 1.00 54.44 H new ATOM 0 HB2 CYS A 50 -3.141 4.623 -0.827 1.00 74.24 H new ATOM 0 HB3 CYS A 50 -1.407 4.376 -0.784 1.00 74.24 H new ATOM 821 N ILE A 51 -0.263 7.047 -1.280 1.00 35.33 N ATOM 822 CA ILE A 51 0.448 7.731 -2.303 1.00 32.21 C ATOM 823 C ILE A 51 0.863 6.768 -3.396 1.00 75.23 C ATOM 824 O ILE A 51 1.343 5.661 -3.118 1.00 30.44 O ATOM 825 CB ILE A 51 1.721 8.384 -1.700 1.00 32.35 C ATOM 826 CG1 ILE A 51 1.392 9.522 -0.766 1.00 3.22 C ATOM 827 CG2 ILE A 51 2.671 8.839 -2.745 1.00 34.42 C ATOM 828 CD1 ILE A 51 0.712 10.674 -1.421 1.00 55.31 C ATOM 0 H ILE A 51 0.354 6.592 -0.608 1.00 35.33 H new ATOM 0 HA ILE A 51 -0.203 8.495 -2.727 1.00 32.21 H new ATOM 0 HB ILE A 51 2.208 7.600 -1.120 1.00 32.35 H new ATOM 0 HG12 ILE A 51 0.755 9.147 0.035 1.00 3.22 H new ATOM 0 HG13 ILE A 51 2.313 9.874 -0.302 1.00 3.22 H new ATOM 0 HG21 ILE A 51 3.544 9.288 -2.272 1.00 34.42 H new ATOM 0 HG22 ILE A 51 2.983 7.987 -3.349 1.00 34.42 H new ATOM 0 HG23 ILE A 51 2.184 9.577 -3.383 1.00 34.42 H new ATOM 0 HD11 ILE A 51 0.511 11.448 -0.680 1.00 55.31 H new ATOM 0 HD12 ILE A 51 1.354 11.079 -2.203 1.00 55.31 H new ATOM 0 HD13 ILE A 51 -0.228 10.340 -1.860 1.00 55.31 H new ATOM 840 N ASP A 52 0.660 7.184 -4.627 1.00 32.34 N ATOM 841 CA ASP A 52 1.111 6.434 -5.772 1.00 32.12 C ATOM 842 C ASP A 52 2.632 6.546 -5.849 1.00 54.42 C ATOM 843 O ASP A 52 3.170 7.654 -5.864 1.00 55.31 O ATOM 844 CB ASP A 52 0.461 6.978 -7.037 1.00 32.21 C ATOM 845 CG ASP A 52 0.901 6.272 -8.286 1.00 50.12 C ATOM 846 OD1 ASP A 52 1.904 6.673 -8.875 1.00 21.42 O ATOM 847 OD2 ASP A 52 0.220 5.318 -8.717 1.00 62.24 O ATOM 0 H ASP A 52 0.177 8.052 -4.859 1.00 32.34 H new ATOM 0 HA ASP A 52 0.829 5.386 -5.676 1.00 32.12 H new ATOM 0 HB2 ASP A 52 -0.622 6.895 -6.944 1.00 32.21 H new ATOM 0 HB3 ASP A 52 0.693 8.039 -7.128 1.00 32.21 H new ATOM 852 N PRO A 53 3.345 5.416 -5.892 1.00 31.40 N ATOM 853 CA PRO A 53 4.821 5.395 -5.856 1.00 31.24 C ATOM 854 C PRO A 53 5.483 5.989 -7.104 1.00 55.52 C ATOM 855 O PRO A 53 6.707 6.136 -7.154 1.00 31.05 O ATOM 856 CB PRO A 53 5.143 3.904 -5.749 1.00 75.35 C ATOM 857 CG PRO A 53 3.976 3.241 -6.383 1.00 72.54 C ATOM 858 CD PRO A 53 2.788 4.055 -5.981 1.00 3.42 C ATOM 0 HA PRO A 53 5.201 6.006 -5.037 1.00 31.24 H new ATOM 0 HB2 PRO A 53 6.071 3.658 -6.264 1.00 75.35 H new ATOM 0 HB3 PRO A 53 5.263 3.595 -4.711 1.00 75.35 H new ATOM 0 HG2 PRO A 53 4.083 3.211 -7.467 1.00 72.54 H new ATOM 0 HG3 PRO A 53 3.878 2.210 -6.044 1.00 72.54 H new ATOM 0 HD2 PRO A 53 1.986 3.993 -6.717 1.00 3.42 H new ATOM 0 HD3 PRO A 53 2.373 3.724 -5.029 1.00 3.42 H new ATOM 866 N LYS A 54 4.697 6.317 -8.101 1.00 34.43 N ATOM 867 CA LYS A 54 5.209 6.851 -9.291 1.00 64.13 C ATOM 868 C LYS A 54 5.093 8.404 -9.304 1.00 10.22 C ATOM 869 O LYS A 54 5.435 9.058 -10.294 1.00 24.14 O ATOM 870 CB LYS A 54 4.502 6.168 -10.459 1.00 12.01 C ATOM 871 CG LYS A 54 4.975 6.567 -11.810 1.00 52.22 C ATOM 872 CD LYS A 54 4.363 5.699 -12.899 1.00 21.31 C ATOM 873 CE LYS A 54 2.846 5.791 -12.919 1.00 44.43 C ATOM 874 NZ LYS A 54 2.248 4.900 -13.932 1.00 21.52 N ATOM 0 H LYS A 54 3.683 6.212 -8.087 1.00 34.43 H new ATOM 0 HA LYS A 54 6.277 6.652 -9.381 1.00 64.13 H new ATOM 0 HB2 LYS A 54 4.622 5.090 -10.354 1.00 12.01 H new ATOM 0 HB3 LYS A 54 3.435 6.378 -10.389 1.00 12.01 H new ATOM 0 HG2 LYS A 54 4.721 7.611 -11.991 1.00 52.22 H new ATOM 0 HG3 LYS A 54 6.062 6.492 -11.852 1.00 52.22 H new ATOM 0 HD2 LYS A 54 4.757 6.003 -13.869 1.00 21.31 H new ATOM 0 HD3 LYS A 54 4.661 4.662 -12.745 1.00 21.31 H new ATOM 0 HE2 LYS A 54 2.455 5.534 -11.935 1.00 44.43 H new ATOM 0 HE3 LYS A 54 2.548 6.820 -13.121 1.00 44.43 H new ATOM 0 HZ1 LYS A 54 1.213 4.995 -13.910 1.00 21.52 H new ATOM 0 HZ2 LYS A 54 2.600 5.161 -14.875 1.00 21.52 H new ATOM 0 HZ3 LYS A 54 2.509 3.915 -13.725 1.00 21.52 H new ATOM 888 N LEU A 55 4.615 8.985 -8.190 1.00 22.44 N ATOM 889 CA LEU A 55 4.595 10.450 -8.040 1.00 53.23 C ATOM 890 C LEU A 55 5.985 11.032 -8.203 1.00 55.43 C ATOM 891 O LEU A 55 6.960 10.492 -7.683 1.00 75.32 O ATOM 892 CB LEU A 55 4.007 10.879 -6.695 1.00 12.14 C ATOM 893 CG LEU A 55 2.506 10.674 -6.497 1.00 45.13 C ATOM 894 CD1 LEU A 55 2.068 11.284 -5.190 1.00 65.42 C ATOM 895 CD2 LEU A 55 1.727 11.294 -7.631 1.00 71.13 C ATOM 0 H LEU A 55 4.243 8.471 -7.391 1.00 22.44 H new ATOM 0 HA LEU A 55 3.952 10.839 -8.829 1.00 53.23 H new ATOM 0 HB2 LEU A 55 4.530 10.336 -5.908 1.00 12.14 H new ATOM 0 HB3 LEU A 55 4.226 11.937 -6.551 1.00 12.14 H new ATOM 0 HG LEU A 55 2.308 9.602 -6.481 1.00 45.13 H new ATOM 0 HD11 LEU A 55 0.997 11.132 -5.059 1.00 65.42 H new ATOM 0 HD12 LEU A 55 2.605 10.809 -4.369 1.00 65.42 H new ATOM 0 HD13 LEU A 55 2.285 12.352 -5.196 1.00 65.42 H new ATOM 0 HD21 LEU A 55 0.661 11.136 -7.469 1.00 71.13 H new ATOM 0 HD22 LEU A 55 1.933 12.364 -7.672 1.00 71.13 H new ATOM 0 HD23 LEU A 55 2.024 10.831 -8.572 1.00 71.13 H new ATOM 907 N LYS A 56 6.065 12.138 -8.914 1.00 44.34 N ATOM 908 CA LYS A 56 7.327 12.780 -9.243 1.00 41.21 C ATOM 909 C LYS A 56 8.102 13.181 -7.998 1.00 15.41 C ATOM 910 O LYS A 56 9.299 12.906 -7.890 1.00 71.22 O ATOM 911 CB LYS A 56 7.083 13.995 -10.129 1.00 71.23 C ATOM 912 CG LYS A 56 8.343 14.721 -10.548 1.00 61.03 C ATOM 913 CD LYS A 56 8.018 15.898 -11.426 1.00 13.33 C ATOM 914 CE LYS A 56 9.271 16.609 -11.876 1.00 55.34 C ATOM 915 NZ LYS A 56 8.965 17.786 -12.710 1.00 53.45 N ATOM 0 H LYS A 56 5.248 12.624 -9.285 1.00 44.34 H new ATOM 0 HA LYS A 56 7.934 12.055 -9.785 1.00 41.21 H new ATOM 0 HB2 LYS A 56 6.546 13.677 -11.023 1.00 71.23 H new ATOM 0 HB3 LYS A 56 6.434 14.693 -9.599 1.00 71.23 H new ATOM 0 HG2 LYS A 56 8.883 15.060 -9.664 1.00 61.03 H new ATOM 0 HG3 LYS A 56 9.002 14.036 -11.081 1.00 61.03 H new ATOM 0 HD2 LYS A 56 7.456 15.561 -12.297 1.00 13.33 H new ATOM 0 HD3 LYS A 56 7.378 16.593 -10.883 1.00 13.33 H new ATOM 0 HE2 LYS A 56 9.845 16.921 -11.003 1.00 55.34 H new ATOM 0 HE3 LYS A 56 9.898 15.918 -12.439 1.00 55.34 H new ATOM 0 HZ1 LYS A 56 9.852 18.247 -12.999 1.00 53.45 H new ATOM 0 HZ2 LYS A 56 8.440 17.485 -13.556 1.00 53.45 H new ATOM 0 HZ3 LYS A 56 8.388 18.457 -12.165 1.00 53.45 H new ATOM 929 N TRP A 57 7.422 13.800 -7.045 1.00 4.11 N ATOM 930 CA TRP A 57 8.090 14.228 -5.822 1.00 4.33 C ATOM 931 C TRP A 57 8.488 13.018 -4.988 1.00 51.13 C ATOM 932 O TRP A 57 9.413 13.072 -4.190 1.00 74.13 O ATOM 933 CB TRP A 57 7.223 15.194 -5.004 1.00 34.22 C ATOM 934 CG TRP A 57 5.971 14.601 -4.432 1.00 61.51 C ATOM 935 CD1 TRP A 57 4.760 14.468 -5.034 1.00 30.41 C ATOM 936 CD2 TRP A 57 5.819 14.061 -3.122 1.00 4.35 C ATOM 937 NE1 TRP A 57 3.873 13.903 -4.158 1.00 4.31 N ATOM 938 CE2 TRP A 57 4.494 13.643 -2.995 1.00 22.23 C ATOM 939 CE3 TRP A 57 6.678 13.901 -2.047 1.00 12.14 C ATOM 940 CZ2 TRP A 57 3.997 13.073 -1.846 1.00 21.53 C ATOM 941 CZ3 TRP A 57 6.197 13.333 -0.899 1.00 65.35 C ATOM 942 CH2 TRP A 57 4.856 12.921 -0.802 1.00 14.01 C ATOM 0 H TRP A 57 6.426 14.015 -7.090 1.00 4.11 H new ATOM 0 HA TRP A 57 8.991 14.770 -6.108 1.00 4.33 H new ATOM 0 HB2 TRP A 57 7.824 15.592 -4.186 1.00 34.22 H new ATOM 0 HB3 TRP A 57 6.949 16.037 -5.638 1.00 34.22 H new ATOM 0 HD1 TRP A 57 4.532 14.763 -6.048 1.00 30.41 H new ATOM 0 HE1 TRP A 57 2.892 13.709 -4.357 1.00 4.31 H new ATOM 0 HE3 TRP A 57 7.708 14.219 -2.114 1.00 12.14 H new ATOM 0 HZ2 TRP A 57 2.966 12.759 -1.775 1.00 21.53 H new ATOM 0 HZ3 TRP A 57 6.857 13.199 -0.055 1.00 65.35 H new ATOM 0 HH2 TRP A 57 4.502 12.477 0.116 1.00 14.01 H new ATOM 953 N ILE A 58 7.781 11.926 -5.201 1.00 41.14 N ATOM 954 CA ILE A 58 8.057 10.680 -4.546 1.00 50.52 C ATOM 955 C ILE A 58 9.342 10.082 -5.093 1.00 21.51 C ATOM 956 O ILE A 58 10.122 9.509 -4.358 1.00 33.34 O ATOM 957 CB ILE A 58 6.858 9.705 -4.694 1.00 4.13 C ATOM 958 CG1 ILE A 58 5.723 10.103 -3.760 1.00 31.41 C ATOM 959 CG2 ILE A 58 7.232 8.253 -4.519 1.00 52.10 C ATOM 960 CD1 ILE A 58 6.078 10.010 -2.283 1.00 24.52 C ATOM 0 H ILE A 58 6.990 11.887 -5.844 1.00 41.14 H new ATOM 0 HA ILE A 58 8.196 10.859 -3.480 1.00 50.52 H new ATOM 0 HB ILE A 58 6.515 9.796 -5.725 1.00 4.13 H new ATOM 0 HG12 ILE A 58 5.420 11.125 -3.987 1.00 31.41 H new ATOM 0 HG13 ILE A 58 4.862 9.464 -3.958 1.00 31.41 H new ATOM 0 HG21 ILE A 58 6.344 7.632 -4.636 1.00 52.10 H new ATOM 0 HG22 ILE A 58 7.971 7.975 -5.270 1.00 52.10 H new ATOM 0 HG23 ILE A 58 7.651 8.103 -3.524 1.00 52.10 H new ATOM 0 HD11 ILE A 58 5.219 10.309 -1.683 1.00 24.52 H new ATOM 0 HD12 ILE A 58 6.352 8.984 -2.038 1.00 24.52 H new ATOM 0 HD13 ILE A 58 6.918 10.670 -2.068 1.00 24.52 H new ATOM 972 N GLN A 59 9.569 10.257 -6.383 1.00 21.21 N ATOM 973 CA GLN A 59 10.798 9.792 -7.020 1.00 13.41 C ATOM 974 C GLN A 59 11.987 10.534 -6.413 1.00 34.31 C ATOM 975 O GLN A 59 13.060 9.961 -6.193 1.00 12.12 O ATOM 976 CB GLN A 59 10.748 10.043 -8.526 1.00 3.20 C ATOM 977 CG GLN A 59 9.567 9.382 -9.227 1.00 24.12 C ATOM 978 CD GLN A 59 9.501 9.674 -10.717 1.00 4.35 C ATOM 979 OE1 GLN A 59 9.938 10.732 -11.194 1.00 72.20 O ATOM 980 NE2 GLN A 59 8.959 8.748 -11.467 1.00 12.21 N ATOM 0 H GLN A 59 8.917 10.720 -7.017 1.00 21.21 H new ATOM 0 HA GLN A 59 10.904 8.720 -6.852 1.00 13.41 H new ATOM 0 HB2 GLN A 59 10.707 11.118 -8.703 1.00 3.20 H new ATOM 0 HB3 GLN A 59 11.673 9.681 -8.975 1.00 3.20 H new ATOM 0 HG2 GLN A 59 9.625 8.304 -9.079 1.00 24.12 H new ATOM 0 HG3 GLN A 59 8.642 9.719 -8.758 1.00 24.12 H new ATOM 0 HE21 GLN A 59 8.609 7.889 -11.043 1.00 12.21 H new ATOM 0 HE22 GLN A 59 8.887 8.886 -12.475 1.00 12.21 H new ATOM 989 N GLU A 60 11.774 11.809 -6.128 1.00 65.10 N ATOM 990 CA GLU A 60 12.776 12.650 -5.499 1.00 34.53 C ATOM 991 C GLU A 60 12.949 12.216 -4.041 1.00 31.23 C ATOM 992 O GLU A 60 14.060 12.184 -3.500 1.00 60.34 O ATOM 993 CB GLU A 60 12.325 14.111 -5.544 1.00 4.23 C ATOM 994 CG GLU A 60 12.000 14.628 -6.940 1.00 44.14 C ATOM 995 CD GLU A 60 11.550 16.067 -6.930 1.00 73.31 C ATOM 996 OE1 GLU A 60 10.362 16.335 -6.669 1.00 60.13 O ATOM 997 OE2 GLU A 60 12.389 16.970 -7.190 1.00 11.25 O ATOM 0 H GLU A 60 10.897 12.290 -6.328 1.00 65.10 H new ATOM 0 HA GLU A 60 13.722 12.550 -6.030 1.00 34.53 H new ATOM 0 HB2 GLU A 60 11.444 14.226 -4.913 1.00 4.23 H new ATOM 0 HB3 GLU A 60 13.109 14.734 -5.113 1.00 4.23 H new ATOM 0 HG2 GLU A 60 12.881 14.530 -7.575 1.00 44.14 H new ATOM 0 HG3 GLU A 60 11.219 14.009 -7.381 1.00 44.14 H new ATOM 1004 N TYR A 61 11.833 11.885 -3.427 1.00 1.22 N ATOM 1005 CA TYR A 61 11.765 11.416 -2.061 1.00 33.31 C ATOM 1006 C TYR A 61 12.490 10.086 -1.861 1.00 20.30 C ATOM 1007 O TYR A 61 13.252 9.941 -0.916 1.00 63.24 O ATOM 1008 CB TYR A 61 10.290 11.317 -1.618 1.00 44.33 C ATOM 1009 CG TYR A 61 10.052 10.570 -0.325 1.00 31.13 C ATOM 1010 CD1 TYR A 61 10.562 11.031 0.875 1.00 4.44 C ATOM 1011 CD2 TYR A 61 9.307 9.393 -0.320 1.00 20.30 C ATOM 1012 CE1 TYR A 61 10.346 10.346 2.046 1.00 32.51 C ATOM 1013 CE2 TYR A 61 9.083 8.699 0.840 1.00 72.43 C ATOM 1014 CZ TYR A 61 9.612 9.179 2.031 1.00 31.53 C ATOM 1015 OH TYR A 61 9.403 8.499 3.210 1.00 51.44 O ATOM 0 H TYR A 61 10.920 11.937 -3.880 1.00 1.22 H new ATOM 0 HA TYR A 61 12.282 12.142 -1.434 1.00 33.31 H new ATOM 0 HB2 TYR A 61 9.891 12.326 -1.514 1.00 44.33 H new ATOM 0 HB3 TYR A 61 9.722 10.829 -2.410 1.00 44.33 H new ATOM 0 HD1 TYR A 61 11.139 11.944 0.892 1.00 4.44 H new ATOM 0 HD2 TYR A 61 8.898 9.021 -1.248 1.00 20.30 H new ATOM 0 HE1 TYR A 61 10.750 10.720 2.975 1.00 32.51 H new ATOM 0 HE2 TYR A 61 8.502 7.789 0.828 1.00 72.43 H new ATOM 0 HH TYR A 61 8.546 8.026 3.167 1.00 51.44 H new ATOM 1025 N LEU A 62 12.267 9.138 -2.754 1.00 22.55 N ATOM 1026 CA LEU A 62 12.834 7.790 -2.621 1.00 42.10 C ATOM 1027 C LEU A 62 14.338 7.806 -2.537 1.00 74.34 C ATOM 1028 O LEU A 62 14.928 7.186 -1.641 1.00 13.24 O ATOM 1029 CB LEU A 62 12.379 6.884 -3.757 1.00 5.11 C ATOM 1030 CG LEU A 62 10.879 6.643 -3.848 1.00 12.53 C ATOM 1031 CD1 LEU A 62 10.557 5.737 -5.007 1.00 24.14 C ATOM 1032 CD2 LEU A 62 10.351 6.068 -2.550 1.00 53.53 C ATOM 0 H LEU A 62 11.694 9.270 -3.588 1.00 22.55 H new ATOM 0 HA LEU A 62 12.457 7.388 -1.681 1.00 42.10 H new ATOM 0 HB2 LEU A 62 12.717 7.316 -4.699 1.00 5.11 H new ATOM 0 HB3 LEU A 62 12.878 5.921 -3.651 1.00 5.11 H new ATOM 0 HG LEU A 62 10.387 7.600 -4.019 1.00 12.53 H new ATOM 0 HD11 LEU A 62 9.480 5.577 -5.055 1.00 24.14 H new ATOM 0 HD12 LEU A 62 10.897 6.198 -5.934 1.00 24.14 H new ATOM 0 HD13 LEU A 62 11.060 4.780 -4.871 1.00 24.14 H new ATOM 0 HD21 LEU A 62 9.277 5.903 -2.635 1.00 53.53 H new ATOM 0 HD22 LEU A 62 10.848 5.120 -2.343 1.00 53.53 H new ATOM 0 HD23 LEU A 62 10.547 6.766 -1.736 1.00 53.53 H new ATOM 1044 N GLU A 63 14.957 8.545 -3.424 1.00 51.33 N ATOM 1045 CA GLU A 63 16.417 8.634 -3.457 1.00 53.11 C ATOM 1046 C GLU A 63 16.976 9.414 -2.263 1.00 35.32 C ATOM 1047 O GLU A 63 18.179 9.502 -2.095 1.00 31.01 O ATOM 1048 CB GLU A 63 16.932 9.247 -4.756 1.00 44.55 C ATOM 1049 CG GLU A 63 16.487 10.675 -4.979 1.00 41.02 C ATOM 1050 CD GLU A 63 17.196 11.324 -6.124 1.00 75.13 C ATOM 1051 OE1 GLU A 63 18.302 11.851 -5.911 1.00 62.22 O ATOM 1052 OE2 GLU A 63 16.663 11.347 -7.240 1.00 13.22 O ATOM 0 H GLU A 63 14.483 9.098 -4.138 1.00 51.33 H new ATOM 0 HA GLU A 63 16.774 7.606 -3.397 1.00 53.11 H new ATOM 0 HB2 GLU A 63 18.021 9.212 -4.756 1.00 44.55 H new ATOM 0 HB3 GLU A 63 16.594 8.637 -5.593 1.00 44.55 H new ATOM 0 HG2 GLU A 63 15.413 10.693 -5.164 1.00 41.02 H new ATOM 0 HG3 GLU A 63 16.664 11.253 -4.072 1.00 41.02 H new ATOM 1059 N LYS A 64 16.110 9.986 -1.459 1.00 12.22 N ATOM 1060 CA LYS A 64 16.543 10.679 -0.290 1.00 13.11 C ATOM 1061 C LYS A 64 16.210 9.887 0.964 1.00 1.52 C ATOM 1062 O LYS A 64 17.004 9.822 1.891 1.00 11.42 O ATOM 1063 CB LYS A 64 15.952 12.070 -0.240 1.00 41.02 C ATOM 1064 CG LYS A 64 16.410 12.859 0.966 1.00 53.02 C ATOM 1065 CD LYS A 64 16.155 14.318 0.783 1.00 53.11 C ATOM 1066 CE LYS A 64 14.678 14.652 0.608 1.00 70.24 C ATOM 1067 NZ LYS A 64 14.474 16.103 0.402 1.00 1.23 N ATOM 0 H LYS A 64 15.100 9.979 -1.602 1.00 12.22 H new ATOM 0 HA LYS A 64 17.627 10.782 -0.336 1.00 13.11 H new ATOM 0 HB2 LYS A 64 16.227 12.609 -1.147 1.00 41.02 H new ATOM 0 HB3 LYS A 64 14.864 11.997 -0.229 1.00 41.02 H new ATOM 0 HG2 LYS A 64 15.889 12.505 1.855 1.00 53.02 H new ATOM 0 HG3 LYS A 64 17.474 12.691 1.132 1.00 53.02 H new ATOM 0 HD2 LYS A 64 16.544 14.859 1.646 1.00 53.11 H new ATOM 0 HD3 LYS A 64 16.706 14.670 -0.089 1.00 53.11 H new ATOM 0 HE2 LYS A 64 14.277 14.102 -0.244 1.00 70.24 H new ATOM 0 HE3 LYS A 64 14.123 14.326 1.488 1.00 70.24 H new ATOM 0 HZ1 LYS A 64 13.459 16.298 0.286 1.00 1.23 H new ATOM 0 HZ2 LYS A 64 14.835 16.625 1.226 1.00 1.23 H new ATOM 0 HZ3 LYS A 64 14.985 16.408 -0.451 1.00 1.23 H new ATOM 1081 N ALA A 65 15.047 9.270 0.972 1.00 30.35 N ATOM 1082 CA ALA A 65 14.586 8.482 2.108 1.00 60.23 C ATOM 1083 C ALA A 65 15.424 7.226 2.295 1.00 42.12 C ATOM 1084 O ALA A 65 15.830 6.900 3.408 1.00 54.01 O ATOM 1085 CB ALA A 65 13.124 8.115 1.938 1.00 60.52 C ATOM 0 H ALA A 65 14.390 9.298 0.192 1.00 30.35 H new ATOM 0 HA ALA A 65 14.698 9.095 3.002 1.00 60.23 H new ATOM 0 HB1 ALA A 65 12.795 7.527 2.794 1.00 60.52 H new ATOM 0 HB2 ALA A 65 12.526 9.024 1.871 1.00 60.52 H new ATOM 0 HB3 ALA A 65 12.999 7.530 1.027 1.00 60.52 H new ATOM 1091 N LEU A 66 15.686 6.527 1.211 1.00 23.55 N ATOM 1092 CA LEU A 66 16.464 5.301 1.288 1.00 20.44 C ATOM 1093 C LEU A 66 17.959 5.590 1.387 1.00 74.51 C ATOM 1094 O LEU A 66 18.701 4.858 2.039 1.00 1.53 O ATOM 1095 CB LEU A 66 16.154 4.336 0.117 1.00 62.41 C ATOM 1096 CG LEU A 66 14.766 3.632 0.110 1.00 74.24 C ATOM 1097 CD1 LEU A 66 13.606 4.611 -0.031 1.00 74.44 C ATOM 1098 CD2 LEU A 66 14.709 2.580 -0.981 1.00 11.00 C ATOM 0 H LEU A 66 15.377 6.780 0.273 1.00 23.55 H new ATOM 0 HA LEU A 66 16.162 4.796 2.206 1.00 20.44 H new ATOM 0 HB2 LEU A 66 16.251 4.895 -0.814 1.00 62.41 H new ATOM 0 HB3 LEU A 66 16.923 3.563 0.106 1.00 62.41 H new ATOM 0 HG LEU A 66 14.654 3.150 1.081 1.00 74.24 H new ATOM 0 HD11 LEU A 66 12.664 4.062 -0.030 1.00 74.44 H new ATOM 0 HD12 LEU A 66 13.618 5.312 0.803 1.00 74.44 H new ATOM 0 HD13 LEU A 66 13.705 5.160 -0.968 1.00 74.44 H new ATOM 0 HD21 LEU A 66 13.731 2.098 -0.971 1.00 11.00 H new ATOM 0 HD22 LEU A 66 14.871 3.052 -1.950 1.00 11.00 H new ATOM 0 HD23 LEU A 66 15.483 1.833 -0.807 1.00 11.00 H new ATOM 1110 N ASN A 67 18.387 6.663 0.756 1.00 45.34 N ATOM 1111 CA ASN A 67 19.802 7.057 0.775 1.00 62.33 C ATOM 1112 C ASN A 67 20.212 7.616 2.149 1.00 24.11 C ATOM 1113 O ASN A 67 21.248 7.225 2.704 1.00 45.04 O ATOM 1114 CB ASN A 67 20.062 8.107 -0.301 1.00 51.34 C ATOM 1115 CG ASN A 67 21.520 8.547 -0.436 1.00 71.41 C ATOM 1116 OD1 ASN A 67 21.793 9.714 -0.744 1.00 74.41 O ATOM 1117 ND2 ASN A 67 22.450 7.628 -0.274 1.00 55.11 N ATOM 0 H ASN A 67 17.784 7.286 0.220 1.00 45.34 H new ATOM 0 HA ASN A 67 20.400 6.167 0.577 1.00 62.33 H new ATOM 0 HB2 ASN A 67 19.727 7.713 -1.260 1.00 51.34 H new ATOM 0 HB3 ASN A 67 19.452 8.984 -0.086 1.00 51.34 H new ATOM 0 HD21 ASN A 67 23.433 7.869 -0.403 1.00 55.11 H new ATOM 0 HD22 ASN A 67 22.187 6.676 -0.020 1.00 55.11 H new ATOM 1124 N LYS A 68 19.400 8.511 2.691 1.00 52.31 N ATOM 1125 CA LYS A 68 19.696 9.160 3.953 1.00 61.11 C ATOM 1126 C LYS A 68 18.736 8.660 5.036 1.00 71.24 C ATOM 1127 O LYS A 68 17.644 9.252 5.216 1.00 37.72 O ATOM 1128 CB LYS A 68 19.588 10.680 3.798 1.00 52.32 C ATOM 1129 CG LYS A 68 19.964 11.470 5.047 1.00 71.12 C ATOM 1130 CD LYS A 68 19.706 12.957 4.865 1.00 5.55 C ATOM 1131 CE LYS A 68 20.515 13.554 3.720 1.00 62.41 C ATOM 1132 NZ LYS A 68 20.222 14.997 3.528 1.00 25.04 N ATOM 1133 OXT LYS A 68 19.061 7.666 5.705 1.00 37.72 O ATOM 0 H LYS A 68 18.520 8.805 2.267 1.00 52.31 H new ATOM 0 HA LYS A 68 20.715 8.914 4.252 1.00 61.11 H new ATOM 0 HB2 LYS A 68 20.231 10.996 2.976 1.00 52.32 H new ATOM 0 HB3 LYS A 68 18.565 10.932 3.518 1.00 52.32 H new ATOM 0 HG2 LYS A 68 19.391 11.102 5.898 1.00 71.12 H new ATOM 0 HG3 LYS A 68 21.017 11.308 5.278 1.00 71.12 H new ATOM 0 HD2 LYS A 68 18.644 13.118 4.678 1.00 5.55 H new ATOM 0 HD3 LYS A 68 19.950 13.481 5.789 1.00 5.55 H new ATOM 0 HE2 LYS A 68 21.578 13.423 3.920 1.00 62.41 H new ATOM 0 HE3 LYS A 68 20.295 13.013 2.800 1.00 62.41 H new ATOM 0 HZ1 LYS A 68 20.792 15.365 2.740 1.00 25.04 H new ATOM 0 HZ2 LYS A 68 19.212 15.120 3.312 1.00 25.04 H new ATOM 0 HZ3 LYS A 68 20.456 15.517 4.397 1.00 25.04 H new TER 1147 LYS A 68