USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 15 THR OG1 : rot 180:sc= -0.341 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.676 K(o=0.34,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0.923 (180deg=0.755) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00721 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc=-0.00391 X(o=-0.0039,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= 1.28 (180deg=0.957) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0517 USER MOD Single : A 38 SER OG : rot 67:sc= 1.22 USER MOD Single : A 39 GLN : amide:sc= -0.521 X(o=-0.52,f=-0.08) USER MOD Single : A 42 HIS : no HD1:sc= -1.01 K(o=-1,f=-0.27) USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.0596 (180deg=-0.491) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.27) USER MOD Single : A 57 ASN : amide:sc= 0.565 K(o=0.56,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.453 (180deg=0.367) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.596 1.702 19.192 1.00 0.22 N ATOM 2 CA GLY A 1 3.917 1.700 18.557 1.00 3.44 C ATOM 3 C GLY A 1 4.253 0.342 17.984 1.00 61.25 C ATOM 4 O GLY A 1 3.579 -0.106 17.056 1.00 0.13 O ATOM 0 H1 GLY A 1 2.396 2.648 19.575 1.00 0.22 H new ATOM 0 H2 GLY A 1 1.872 1.453 18.488 1.00 0.22 H new ATOM 0 H3 GLY A 1 2.581 1.006 19.965 1.00 0.22 H new ATOM 0 HA2 GLY A 1 3.942 2.447 17.764 1.00 3.44 H new ATOM 0 HA3 GLY A 1 4.674 1.985 19.288 1.00 3.44 H new ATOM 8 N ALA A 2 5.293 -0.302 18.530 1.00 51.24 N ATOM 9 CA ALA A 2 5.891 -1.547 18.069 1.00 22.54 C ATOM 10 C ALA A 2 6.101 -1.578 16.544 1.00 61.42 C ATOM 11 O ALA A 2 5.438 -2.362 15.856 1.00 65.31 O ATOM 12 CB ALA A 2 5.073 -2.729 18.588 1.00 13.31 C ATOM 0 H ALA A 2 5.764 0.062 19.358 1.00 51.24 H new ATOM 0 HA ALA A 2 6.896 -1.623 18.484 1.00 22.54 H new ATOM 0 HB1 ALA A 2 5.521 -3.661 18.243 1.00 13.31 H new ATOM 0 HB2 ALA A 2 5.062 -2.713 19.678 1.00 13.31 H new ATOM 0 HB3 ALA A 2 4.052 -2.657 18.214 1.00 13.31 H new ATOM 18 N PRO A 3 7.000 -0.739 15.997 1.00 12.43 N ATOM 19 CA PRO A 3 7.409 -0.843 14.607 1.00 2.20 C ATOM 20 C PRO A 3 8.279 -2.089 14.390 1.00 53.44 C ATOM 21 O PRO A 3 8.842 -2.636 15.346 1.00 41.43 O ATOM 22 CB PRO A 3 8.192 0.440 14.336 1.00 64.15 C ATOM 23 CG PRO A 3 8.801 0.799 15.688 1.00 63.13 C ATOM 24 CD PRO A 3 7.735 0.321 16.672 1.00 60.15 C ATOM 0 HA PRO A 3 6.562 -0.949 13.929 1.00 2.20 H new ATOM 0 HB2 PRO A 3 8.962 0.284 13.581 1.00 64.15 H new ATOM 0 HB3 PRO A 3 7.541 1.234 13.969 1.00 64.15 H new ATOM 0 HG2 PRO A 3 9.755 0.297 15.849 1.00 63.13 H new ATOM 0 HG3 PRO A 3 8.985 1.870 15.778 1.00 63.13 H new ATOM 0 HD2 PRO A 3 8.191 -0.047 17.591 1.00 60.15 H new ATOM 0 HD3 PRO A 3 7.070 1.138 16.951 1.00 60.15 H new ATOM 32 N GLY A 4 8.415 -2.512 13.133 1.00 14.21 N ATOM 33 CA GLY A 4 9.124 -3.712 12.722 1.00 75.14 C ATOM 34 C GLY A 4 8.098 -4.715 12.216 1.00 14.14 C ATOM 35 O GLY A 4 7.412 -5.347 13.026 1.00 44.32 O ATOM 0 H GLY A 4 8.015 -2.003 12.345 1.00 14.21 H new ATOM 0 HA2 GLY A 4 9.846 -3.479 11.940 1.00 75.14 H new ATOM 0 HA3 GLY A 4 9.684 -4.129 13.559 1.00 75.14 H new ATOM 39 N GLY A 5 7.951 -4.825 10.893 1.00 60.33 N ATOM 40 CA GLY A 5 7.111 -5.821 10.231 1.00 23.33 C ATOM 41 C GLY A 5 7.952 -6.966 9.665 1.00 33.04 C ATOM 42 O GLY A 5 9.185 -6.876 9.640 1.00 13.50 O ATOM 0 H GLY A 5 8.427 -4.206 10.237 1.00 60.33 H new ATOM 0 HA2 GLY A 5 6.384 -6.217 10.940 1.00 23.33 H new ATOM 0 HA3 GLY A 5 6.547 -5.348 9.427 1.00 23.33 H new ATOM 46 N LYS A 6 7.302 -8.040 9.199 1.00 5.53 N ATOM 47 CA LYS A 6 7.990 -9.166 8.557 1.00 31.31 C ATOM 48 C LYS A 6 8.636 -8.745 7.231 1.00 50.33 C ATOM 49 O LYS A 6 8.423 -7.632 6.760 1.00 11.54 O ATOM 50 CB LYS A 6 7.042 -10.372 8.393 1.00 62.31 C ATOM 51 CG LYS A 6 5.801 -10.121 7.520 1.00 24.31 C ATOM 52 CD LYS A 6 5.160 -11.466 7.141 1.00 13.54 C ATOM 53 CE LYS A 6 3.801 -11.325 6.450 1.00 50.23 C ATOM 54 NZ LYS A 6 3.855 -10.521 5.208 1.00 33.21 N ATOM 0 H LYS A 6 6.290 -8.152 9.256 1.00 5.53 H new ATOM 0 HA LYS A 6 8.802 -9.485 9.211 1.00 31.31 H new ATOM 0 HB2 LYS A 6 7.606 -11.200 7.964 1.00 62.31 H new ATOM 0 HB3 LYS A 6 6.712 -10.690 9.382 1.00 62.31 H new ATOM 0 HG2 LYS A 6 5.083 -9.503 8.059 1.00 24.31 H new ATOM 0 HG3 LYS A 6 6.081 -9.573 6.620 1.00 24.31 H new ATOM 0 HD2 LYS A 6 5.838 -12.009 6.483 1.00 13.54 H new ATOM 0 HD3 LYS A 6 5.039 -12.068 8.042 1.00 13.54 H new ATOM 0 HE2 LYS A 6 3.416 -12.317 6.215 1.00 50.23 H new ATOM 0 HE3 LYS A 6 3.096 -10.865 7.142 1.00 50.23 H new ATOM 0 HZ1 LYS A 6 2.984 -10.670 4.660 1.00 33.21 H new ATOM 0 HZ2 LYS A 6 3.944 -9.514 5.450 1.00 33.21 H new ATOM 0 HZ3 LYS A 6 4.675 -10.814 4.640 1.00 33.21 H new ATOM 68 N SER A 7 9.386 -9.655 6.605 1.00 10.54 N ATOM 69 CA SER A 7 10.135 -9.405 5.370 1.00 15.30 C ATOM 70 C SER A 7 9.892 -10.459 4.285 1.00 22.40 C ATOM 71 O SER A 7 10.659 -10.532 3.318 1.00 74.03 O ATOM 72 CB SER A 7 11.622 -9.234 5.714 1.00 61.43 C ATOM 73 OG SER A 7 11.859 -7.856 5.909 1.00 60.42 O ATOM 0 H SER A 7 9.492 -10.609 6.950 1.00 10.54 H new ATOM 0 HA SER A 7 9.765 -8.480 4.927 1.00 15.30 H new ATOM 0 HB2 SER A 7 11.874 -9.797 6.613 1.00 61.43 H new ATOM 0 HB3 SER A 7 12.248 -9.620 4.910 1.00 61.43 H new ATOM 0 HG SER A 7 12.803 -7.715 6.133 1.00 60.42 H new ATOM 79 N ARG A 8 8.828 -11.261 4.391 1.00 2.33 N ATOM 80 CA ARG A 8 8.464 -12.251 3.381 1.00 11.11 C ATOM 81 C ARG A 8 6.963 -12.178 3.105 1.00 11.42 C ATOM 82 O ARG A 8 6.211 -11.533 3.848 1.00 43.22 O ATOM 83 CB ARG A 8 8.990 -13.627 3.838 1.00 50.33 C ATOM 84 CG ARG A 8 8.841 -14.740 2.794 1.00 1.53 C ATOM 85 CD ARG A 8 9.844 -15.882 2.990 1.00 33.40 C ATOM 86 NE ARG A 8 11.173 -15.523 2.471 1.00 1.13 N ATOM 87 CZ ARG A 8 12.325 -15.386 3.134 1.00 4.50 C ATOM 88 NH1 ARG A 8 12.405 -15.478 4.456 1.00 31.44 N ATOM 89 NH2 ARG A 8 13.431 -15.142 2.448 1.00 71.45 N ATOM 0 H ARG A 8 8.192 -11.239 5.188 1.00 2.33 H new ATOM 0 HA ARG A 8 8.932 -12.052 2.417 1.00 11.11 H new ATOM 0 HB2 ARG A 8 10.043 -13.531 4.101 1.00 50.33 H new ATOM 0 HB3 ARG A 8 8.461 -13.922 4.744 1.00 50.33 H new ATOM 0 HG2 ARG A 8 7.828 -15.141 2.840 1.00 1.53 H new ATOM 0 HG3 ARG A 8 8.971 -14.316 1.798 1.00 1.53 H new ATOM 0 HD2 ARG A 8 9.919 -16.125 4.050 1.00 33.40 H new ATOM 0 HD3 ARG A 8 9.483 -16.777 2.483 1.00 33.40 H new ATOM 0 HE ARG A 8 11.222 -15.356 1.466 1.00 1.13 H new ATOM 0 HH11 ARG A 8 11.566 -15.660 5.006 1.00 31.44 H new ATOM 0 HH12 ARG A 8 13.306 -15.367 4.921 1.00 31.44 H new ATOM 0 HH21 ARG A 8 13.394 -15.062 1.432 1.00 71.45 H new ATOM 0 HH22 ARG A 8 14.320 -15.034 2.936 1.00 71.45 H new ATOM 103 N ARG A 9 6.512 -12.835 2.035 1.00 54.53 N ATOM 104 CA ARG A 9 5.186 -12.659 1.438 1.00 24.44 C ATOM 105 C ARG A 9 4.932 -11.185 1.145 1.00 52.23 C ATOM 106 O ARG A 9 3.863 -10.651 1.439 1.00 12.34 O ATOM 107 CB ARG A 9 4.068 -13.341 2.253 1.00 33.40 C ATOM 108 CG ARG A 9 4.403 -14.786 2.652 1.00 4.43 C ATOM 109 CD ARG A 9 4.876 -14.903 4.112 1.00 22.10 C ATOM 110 NE ARG A 9 3.777 -15.307 5.007 1.00 13.14 N ATOM 111 CZ ARG A 9 3.868 -16.078 6.099 1.00 25.14 C ATOM 112 NH1 ARG A 9 5.027 -16.620 6.462 1.00 72.24 N ATOM 113 NH2 ARG A 9 2.789 -16.320 6.832 1.00 34.42 N ATOM 0 H ARG A 9 7.078 -13.527 1.544 1.00 54.53 H new ATOM 0 HA ARG A 9 5.168 -13.180 0.481 1.00 24.44 H new ATOM 0 HB2 ARG A 9 3.877 -12.758 3.154 1.00 33.40 H new ATOM 0 HB3 ARG A 9 3.148 -13.337 1.669 1.00 33.40 H new ATOM 0 HG2 ARG A 9 3.522 -15.412 2.508 1.00 4.43 H new ATOM 0 HG3 ARG A 9 5.179 -15.171 1.991 1.00 4.43 H new ATOM 0 HD2 ARG A 9 5.685 -15.631 4.176 1.00 22.10 H new ATOM 0 HD3 ARG A 9 5.282 -13.946 4.442 1.00 22.10 H new ATOM 0 HE ARG A 9 2.847 -14.963 4.769 1.00 13.14 H new ATOM 0 HH11 ARG A 9 5.865 -16.451 5.906 1.00 72.24 H new ATOM 0 HH12 ARG A 9 5.078 -17.204 7.296 1.00 72.24 H new ATOM 0 HH21 ARG A 9 1.890 -15.919 6.564 1.00 34.42 H new ATOM 0 HH22 ARG A 9 2.858 -16.907 7.663 1.00 34.42 H new ATOM 127 N ARG A 10 5.923 -10.509 0.558 1.00 32.04 N ATOM 128 CA ARG A 10 5.867 -9.089 0.204 1.00 43.25 C ATOM 129 C ARG A 10 5.021 -8.847 -1.059 1.00 12.22 C ATOM 130 O ARG A 10 5.333 -7.959 -1.857 1.00 32.40 O ATOM 131 CB ARG A 10 7.303 -8.549 0.070 1.00 53.34 C ATOM 132 CG ARG A 10 8.134 -8.740 1.356 1.00 61.35 C ATOM 133 CD ARG A 10 9.478 -8.002 1.313 1.00 63.13 C ATOM 134 NE ARG A 10 10.206 -8.249 0.059 1.00 43.25 N ATOM 135 CZ ARG A 10 11.198 -9.102 -0.209 1.00 44.53 C ATOM 136 NH1 ARG A 10 11.700 -9.902 0.726 1.00 61.05 N ATOM 137 NH2 ARG A 10 11.666 -9.132 -1.452 1.00 4.31 N ATOM 0 H ARG A 10 6.810 -10.946 0.309 1.00 32.04 H new ATOM 0 HA ARG A 10 5.364 -8.538 0.999 1.00 43.25 H new ATOM 0 HB2 ARG A 10 7.801 -9.054 -0.758 1.00 53.34 H new ATOM 0 HB3 ARG A 10 7.266 -7.489 -0.180 1.00 53.34 H new ATOM 0 HG2 ARG A 10 7.558 -8.386 2.211 1.00 61.35 H new ATOM 0 HG3 ARG A 10 8.314 -9.804 1.512 1.00 61.35 H new ATOM 0 HD2 ARG A 10 9.307 -6.932 1.427 1.00 63.13 H new ATOM 0 HD3 ARG A 10 10.092 -8.319 2.156 1.00 63.13 H new ATOM 0 HE ARG A 10 9.906 -7.678 -0.731 1.00 43.25 H new ATOM 0 HH11 ARG A 10 11.328 -9.874 1.675 1.00 61.05 H new ATOM 0 HH12 ARG A 10 12.458 -10.544 0.494 1.00 61.05 H new ATOM 0 HH21 ARG A 10 11.268 -8.517 -2.162 1.00 4.31 H new ATOM 0 HH22 ARG A 10 12.423 -9.770 -1.697 1.00 4.31 H new ATOM 151 N ARG A 11 3.984 -9.654 -1.289 1.00 13.32 N ATOM 152 CA ARG A 11 2.949 -9.505 -2.307 1.00 31.40 C ATOM 153 C ARG A 11 1.681 -10.064 -1.671 1.00 35.44 C ATOM 154 O ARG A 11 1.767 -11.020 -0.891 1.00 71.03 O ATOM 155 CB ARG A 11 3.329 -10.307 -3.569 1.00 40.11 C ATOM 156 CG ARG A 11 2.368 -10.152 -4.764 1.00 40.14 C ATOM 157 CD ARG A 11 2.614 -8.868 -5.565 1.00 51.12 C ATOM 158 NE ARG A 11 1.743 -8.769 -6.753 1.00 12.53 N ATOM 159 CZ ARG A 11 1.881 -7.886 -7.751 1.00 53.55 C ATOM 160 NH1 ARG A 11 2.925 -7.072 -7.812 1.00 41.25 N ATOM 161 NH2 ARG A 11 0.963 -7.823 -8.703 1.00 73.14 N ATOM 0 H ARG A 11 3.837 -10.491 -0.725 1.00 13.32 H new ATOM 0 HA ARG A 11 2.819 -8.468 -2.618 1.00 31.40 H new ATOM 0 HB2 ARG A 11 4.327 -10.003 -3.885 1.00 40.11 H new ATOM 0 HB3 ARG A 11 3.386 -11.363 -3.305 1.00 40.11 H new ATOM 0 HG2 ARG A 11 2.476 -11.012 -5.424 1.00 40.14 H new ATOM 0 HG3 ARG A 11 1.340 -10.156 -4.400 1.00 40.14 H new ATOM 0 HD2 ARG A 11 2.446 -8.004 -4.922 1.00 51.12 H new ATOM 0 HD3 ARG A 11 3.657 -8.833 -5.879 1.00 51.12 H new ATOM 0 HE ARG A 11 0.969 -9.430 -6.820 1.00 12.53 H new ATOM 0 HH11 ARG A 11 3.644 -7.110 -7.090 1.00 41.25 H new ATOM 0 HH12 ARG A 11 3.009 -6.408 -8.581 1.00 41.25 H new ATOM 0 HH21 ARG A 11 0.155 -8.445 -8.674 1.00 73.14 H new ATOM 0 HH22 ARG A 11 1.064 -7.152 -9.465 1.00 73.14 H new ATOM 175 N THR A 12 0.521 -9.532 -2.025 1.00 63.21 N ATOM 176 CA THR A 12 -0.780 -10.022 -1.595 1.00 61.24 C ATOM 177 C THR A 12 -1.615 -10.289 -2.852 1.00 24.32 C ATOM 178 O THR A 12 -1.306 -9.767 -3.928 1.00 63.23 O ATOM 179 CB THR A 12 -1.392 -8.998 -0.630 1.00 11.12 C ATOM 180 OG1 THR A 12 -0.442 -8.576 0.339 1.00 33.22 O ATOM 181 CG2 THR A 12 -2.617 -9.520 0.128 1.00 74.14 C ATOM 0 H THR A 12 0.457 -8.721 -2.640 1.00 63.21 H new ATOM 0 HA THR A 12 -0.724 -10.961 -1.044 1.00 61.24 H new ATOM 0 HB THR A 12 -1.704 -8.170 -1.267 1.00 11.12 H new ATOM 0 HG1 THR A 12 -0.856 -7.923 0.940 1.00 33.22 H new ATOM 0 HG21 THR A 12 -2.994 -8.741 0.790 1.00 74.14 H new ATOM 0 HG22 THR A 12 -3.394 -9.799 -0.584 1.00 74.14 H new ATOM 0 HG23 THR A 12 -2.335 -10.392 0.718 1.00 74.14 H new ATOM 189 N ALA A 13 -2.662 -11.110 -2.750 1.00 63.45 N ATOM 190 CA ALA A 13 -3.642 -11.268 -3.816 1.00 34.12 C ATOM 191 C ALA A 13 -4.385 -9.941 -4.012 1.00 34.15 C ATOM 192 O ALA A 13 -5.321 -9.637 -3.266 1.00 33.24 O ATOM 193 CB ALA A 13 -4.588 -12.428 -3.492 1.00 34.33 C ATOM 0 H ALA A 13 -2.851 -11.681 -1.926 1.00 63.45 H new ATOM 0 HA ALA A 13 -3.148 -11.517 -4.755 1.00 34.12 H new ATOM 0 HB1 ALA A 13 -5.317 -12.538 -4.295 1.00 34.33 H new ATOM 0 HB2 ALA A 13 -4.014 -13.349 -3.394 1.00 34.33 H new ATOM 0 HB3 ALA A 13 -5.107 -12.223 -2.556 1.00 34.33 H new ATOM 199 N PHE A 14 -3.927 -9.133 -4.967 1.00 32.42 N ATOM 200 CA PHE A 14 -4.606 -7.966 -5.518 1.00 11.05 C ATOM 201 C PHE A 14 -4.717 -8.207 -7.024 1.00 22.24 C ATOM 202 O PHE A 14 -3.780 -8.761 -7.608 1.00 55.11 O ATOM 203 CB PHE A 14 -3.853 -6.658 -5.211 1.00 40.10 C ATOM 204 CG PHE A 14 -4.053 -6.059 -3.822 1.00 44.33 C ATOM 205 CD1 PHE A 14 -3.750 -6.795 -2.665 1.00 34.45 C ATOM 206 CD2 PHE A 14 -4.539 -4.747 -3.673 1.00 63.20 C ATOM 207 CE1 PHE A 14 -3.925 -6.259 -1.381 1.00 43.00 C ATOM 208 CE2 PHE A 14 -4.739 -4.216 -2.387 1.00 13.31 C ATOM 209 CZ PHE A 14 -4.427 -4.963 -1.243 1.00 15.32 C ATOM 0 H PHE A 14 -3.017 -9.287 -5.401 1.00 32.42 H new ATOM 0 HA PHE A 14 -5.589 -7.845 -5.063 1.00 11.05 H new ATOM 0 HB2 PHE A 14 -2.787 -6.838 -5.353 1.00 40.10 H new ATOM 0 HB3 PHE A 14 -4.152 -5.913 -5.949 1.00 40.10 H new ATOM 0 HD1 PHE A 14 -3.372 -7.801 -2.767 1.00 34.45 H new ATOM 0 HD2 PHE A 14 -4.758 -4.149 -4.545 1.00 63.20 H new ATOM 0 HE1 PHE A 14 -3.674 -6.843 -0.508 1.00 43.00 H new ATOM 0 HE2 PHE A 14 -5.139 -3.218 -2.279 1.00 13.31 H new ATOM 0 HZ PHE A 14 -4.574 -4.539 -0.261 1.00 15.32 H new ATOM 219 N THR A 15 -5.839 -7.861 -7.648 1.00 41.12 N ATOM 220 CA THR A 15 -5.983 -7.873 -9.098 1.00 53.12 C ATOM 221 C THR A 15 -5.462 -6.541 -9.652 1.00 55.40 C ATOM 222 O THR A 15 -5.348 -5.547 -8.927 1.00 60.42 O ATOM 223 CB THR A 15 -7.458 -8.125 -9.472 1.00 51.01 C ATOM 224 OG1 THR A 15 -8.315 -7.291 -8.743 1.00 32.14 O ATOM 225 CG2 THR A 15 -7.886 -9.558 -9.172 1.00 11.22 C ATOM 0 H THR A 15 -6.681 -7.562 -7.156 1.00 41.12 H new ATOM 0 HA THR A 15 -5.398 -8.679 -9.540 1.00 53.12 H new ATOM 0 HB THR A 15 -7.529 -7.924 -10.541 1.00 51.01 H new ATOM 0 HG1 THR A 15 -9.243 -7.470 -9.001 1.00 32.14 H new ATOM 0 HG21 THR A 15 -8.931 -9.691 -9.451 1.00 11.22 H new ATOM 0 HG22 THR A 15 -7.267 -10.250 -9.743 1.00 11.22 H new ATOM 0 HG23 THR A 15 -7.766 -9.758 -8.107 1.00 11.22 H new ATOM 233 N SER A 16 -5.186 -6.478 -10.955 1.00 22.42 N ATOM 234 CA SER A 16 -4.738 -5.258 -11.622 1.00 31.53 C ATOM 235 C SER A 16 -5.760 -4.126 -11.460 1.00 21.43 C ATOM 236 O SER A 16 -5.422 -2.944 -11.453 1.00 44.00 O ATOM 237 CB SER A 16 -4.588 -5.536 -13.111 1.00 2.55 C ATOM 238 OG SER A 16 -3.923 -6.755 -13.401 1.00 44.20 O ATOM 0 H SER A 16 -5.268 -7.279 -11.581 1.00 22.42 H new ATOM 0 HA SER A 16 -3.792 -4.956 -11.172 1.00 31.53 H new ATOM 0 HB2 SER A 16 -5.577 -5.554 -13.569 1.00 2.55 H new ATOM 0 HB3 SER A 16 -4.039 -4.715 -13.571 1.00 2.55 H new ATOM 0 HG SER A 16 -3.862 -6.872 -14.372 1.00 44.20 H new ATOM 244 N GLU A 17 -7.024 -4.517 -11.361 1.00 53.10 N ATOM 245 CA GLU A 17 -8.217 -3.724 -11.127 1.00 35.33 C ATOM 246 C GLU A 17 -8.068 -2.854 -9.877 1.00 31.52 C ATOM 247 O GLU A 17 -8.408 -1.670 -9.867 1.00 24.41 O ATOM 248 CB GLU A 17 -9.330 -4.767 -10.911 1.00 33.14 C ATOM 249 CG GLU A 17 -10.621 -4.490 -11.668 1.00 73.11 C ATOM 250 CD GLU A 17 -11.573 -3.694 -10.799 1.00 72.13 C ATOM 251 OE1 GLU A 17 -12.081 -4.303 -9.832 1.00 73.30 O ATOM 252 OE2 GLU A 17 -11.719 -2.475 -11.054 1.00 75.41 O ATOM 0 H GLU A 17 -7.260 -5.505 -11.453 1.00 53.10 H new ATOM 0 HA GLU A 17 -8.421 -3.044 -11.954 1.00 35.33 H new ATOM 0 HB2 GLU A 17 -8.954 -5.746 -11.209 1.00 33.14 H new ATOM 0 HB3 GLU A 17 -9.555 -4.822 -9.846 1.00 33.14 H new ATOM 0 HG2 GLU A 17 -10.404 -3.939 -12.583 1.00 73.11 H new ATOM 0 HG3 GLU A 17 -11.087 -5.430 -11.965 1.00 73.11 H new ATOM 259 N GLN A 18 -7.567 -3.476 -8.812 1.00 11.35 N ATOM 260 CA GLN A 18 -7.424 -2.900 -7.487 1.00 15.02 C ATOM 261 C GLN A 18 -6.092 -2.154 -7.432 1.00 43.20 C ATOM 262 O GLN A 18 -5.993 -1.098 -6.809 1.00 12.12 O ATOM 263 CB GLN A 18 -7.468 -4.042 -6.452 1.00 15.02 C ATOM 264 CG GLN A 18 -8.710 -4.950 -6.608 1.00 22.34 C ATOM 265 CD GLN A 18 -8.620 -6.199 -5.729 1.00 14.12 C ATOM 266 OE1 GLN A 18 -7.586 -6.851 -5.656 1.00 34.14 O ATOM 267 NE2 GLN A 18 -9.665 -6.613 -5.043 1.00 2.13 N ATOM 0 H GLN A 18 -7.236 -4.440 -8.857 1.00 11.35 H new ATOM 0 HA GLN A 18 -8.229 -2.199 -7.265 1.00 15.02 H new ATOM 0 HB2 GLN A 18 -6.567 -4.648 -6.549 1.00 15.02 H new ATOM 0 HB3 GLN A 18 -7.459 -3.616 -5.449 1.00 15.02 H new ATOM 0 HG2 GLN A 18 -9.606 -4.387 -6.347 1.00 22.34 H new ATOM 0 HG3 GLN A 18 -8.813 -5.248 -7.652 1.00 22.34 H new ATOM 0 HE21 GLN A 18 -10.541 -6.091 -5.083 1.00 2.13 H new ATOM 0 HE22 GLN A 18 -9.599 -7.455 -4.471 1.00 2.13 H new ATOM 276 N LEU A 19 -5.077 -2.661 -8.147 1.00 43.42 N ATOM 277 CA LEU A 19 -3.760 -2.041 -8.219 1.00 71.54 C ATOM 278 C LEU A 19 -3.781 -0.720 -8.993 1.00 74.33 C ATOM 279 O LEU A 19 -2.779 -0.009 -8.990 1.00 43.43 O ATOM 280 CB LEU A 19 -2.776 -3.023 -8.876 1.00 71.41 C ATOM 281 CG LEU A 19 -2.383 -4.236 -8.007 1.00 22.15 C ATOM 282 CD1 LEU A 19 -1.368 -5.094 -8.769 1.00 35.34 C ATOM 283 CD2 LEU A 19 -1.772 -3.874 -6.649 1.00 52.20 C ATOM 0 H LEU A 19 -5.155 -3.519 -8.693 1.00 43.42 H new ATOM 0 HA LEU A 19 -3.441 -1.809 -7.203 1.00 71.54 H new ATOM 0 HB2 LEU A 19 -3.216 -3.388 -9.804 1.00 71.41 H new ATOM 0 HB3 LEU A 19 -1.870 -2.480 -9.145 1.00 71.41 H new ATOM 0 HG LEU A 19 -3.312 -4.769 -7.806 1.00 22.15 H new ATOM 0 HD11 LEU A 19 -1.087 -5.953 -8.159 1.00 35.34 H new ATOM 0 HD12 LEU A 19 -1.813 -5.441 -9.702 1.00 35.34 H new ATOM 0 HD13 LEU A 19 -0.481 -4.499 -8.989 1.00 35.34 H new ATOM 0 HD21 LEU A 19 -1.526 -4.786 -6.106 1.00 52.20 H new ATOM 0 HD22 LEU A 19 -0.866 -3.288 -6.802 1.00 52.20 H new ATOM 0 HD23 LEU A 19 -2.489 -3.290 -6.072 1.00 52.20 H new ATOM 295 N LEU A 20 -4.881 -0.400 -9.673 1.00 60.42 N ATOM 296 CA LEU A 20 -5.092 0.837 -10.410 1.00 13.11 C ATOM 297 C LEU A 20 -5.275 1.994 -9.430 1.00 53.13 C ATOM 298 O LEU A 20 -4.536 2.979 -9.476 1.00 2.03 O ATOM 299 CB LEU A 20 -6.356 0.663 -11.289 1.00 44.30 C ATOM 300 CG LEU A 20 -6.329 1.298 -12.686 1.00 62.40 C ATOM 301 CD1 LEU A 20 -5.792 2.725 -12.716 1.00 62.30 C ATOM 302 CD2 LEU A 20 -5.521 0.395 -13.617 1.00 62.41 C ATOM 0 H LEU A 20 -5.684 -1.027 -9.725 1.00 60.42 H new ATOM 0 HA LEU A 20 -4.232 1.060 -11.042 1.00 13.11 H new ATOM 0 HB2 LEU A 20 -6.542 -0.405 -11.406 1.00 44.30 H new ATOM 0 HB3 LEU A 20 -7.205 1.077 -10.746 1.00 44.30 H new ATOM 0 HG LEU A 20 -7.362 1.381 -13.023 1.00 62.40 H new ATOM 0 HD11 LEU A 20 -5.807 3.098 -13.740 1.00 62.30 H new ATOM 0 HD12 LEU A 20 -6.416 3.362 -12.089 1.00 62.30 H new ATOM 0 HD13 LEU A 20 -4.769 2.737 -12.341 1.00 62.30 H new ATOM 0 HD21 LEU A 20 -5.493 0.833 -14.615 1.00 62.41 H new ATOM 0 HD22 LEU A 20 -4.505 0.295 -13.235 1.00 62.41 H new ATOM 0 HD23 LEU A 20 -5.988 -0.588 -13.666 1.00 62.41 H new ATOM 314 N GLU A 21 -6.274 1.867 -8.558 1.00 64.54 N ATOM 315 CA GLU A 21 -6.793 2.948 -7.732 1.00 43.03 C ATOM 316 C GLU A 21 -5.793 3.266 -6.627 1.00 52.32 C ATOM 317 O GLU A 21 -5.455 4.425 -6.390 1.00 1.01 O ATOM 318 CB GLU A 21 -8.168 2.544 -7.167 1.00 63.44 C ATOM 319 CG GLU A 21 -9.153 2.054 -8.247 1.00 20.52 C ATOM 320 CD GLU A 21 -9.238 2.977 -9.472 1.00 2.31 C ATOM 321 OE1 GLU A 21 -9.134 4.218 -9.333 1.00 31.41 O ATOM 322 OE2 GLU A 21 -9.327 2.441 -10.602 1.00 51.43 O ATOM 0 H GLU A 21 -6.757 0.982 -8.405 1.00 64.54 H new ATOM 0 HA GLU A 21 -6.929 3.851 -8.327 1.00 43.03 H new ATOM 0 HB2 GLU A 21 -8.031 1.756 -6.426 1.00 63.44 H new ATOM 0 HB3 GLU A 21 -8.604 3.397 -6.648 1.00 63.44 H new ATOM 0 HG2 GLU A 21 -8.854 1.058 -8.574 1.00 20.52 H new ATOM 0 HG3 GLU A 21 -10.145 1.960 -7.805 1.00 20.52 H new ATOM 329 N LEU A 22 -5.236 2.217 -6.022 1.00 35.15 N ATOM 330 CA LEU A 22 -4.221 2.304 -4.982 1.00 41.21 C ATOM 331 C LEU A 22 -2.969 3.023 -5.458 1.00 32.43 C ATOM 332 O LEU A 22 -2.254 3.555 -4.621 1.00 0.23 O ATOM 333 CB LEU A 22 -3.805 0.869 -4.584 1.00 11.05 C ATOM 334 CG LEU A 22 -4.239 0.381 -3.197 1.00 2.43 C ATOM 335 CD1 LEU A 22 -5.725 0.613 -2.944 1.00 62.53 C ATOM 336 CD2 LEU A 22 -3.958 -1.121 -3.121 1.00 32.31 C ATOM 0 H LEU A 22 -5.489 1.256 -6.252 1.00 35.15 H new ATOM 0 HA LEU A 22 -4.649 2.861 -4.149 1.00 41.21 H new ATOM 0 HB2 LEU A 22 -4.207 0.181 -5.327 1.00 11.05 H new ATOM 0 HB3 LEU A 22 -2.719 0.802 -4.643 1.00 11.05 H new ATOM 0 HG LEU A 22 -3.684 0.940 -2.444 1.00 2.43 H new ATOM 0 HD11 LEU A 22 -5.986 0.251 -1.949 1.00 62.53 H new ATOM 0 HD12 LEU A 22 -5.944 1.679 -3.011 1.00 62.53 H new ATOM 0 HD13 LEU A 22 -6.309 0.075 -3.690 1.00 62.53 H new ATOM 0 HD21 LEU A 22 -4.257 -1.498 -2.143 1.00 32.31 H new ATOM 0 HD22 LEU A 22 -4.523 -1.637 -3.897 1.00 32.31 H new ATOM 0 HD23 LEU A 22 -2.893 -1.300 -3.269 1.00 32.31 H new ATOM 348 N ARG A 23 -2.662 3.070 -6.758 1.00 35.11 N ATOM 349 CA ARG A 23 -1.502 3.829 -7.211 1.00 74.11 C ATOM 350 C ARG A 23 -1.824 5.303 -7.095 1.00 40.22 C ATOM 351 O ARG A 23 -0.964 6.084 -6.696 1.00 63.23 O ATOM 352 CB ARG A 23 -1.176 3.506 -8.673 1.00 71.02 C ATOM 353 CG ARG A 23 -0.437 2.182 -8.798 1.00 34.05 C ATOM 354 CD ARG A 23 -0.406 1.716 -10.256 1.00 14.41 C ATOM 355 NE ARG A 23 0.599 2.456 -11.036 1.00 74.30 N ATOM 356 CZ ARG A 23 1.305 1.981 -12.066 1.00 60.20 C ATOM 357 NH1 ARG A 23 1.047 0.780 -12.580 1.00 51.42 N ATOM 358 NH2 ARG A 23 2.276 2.714 -12.589 1.00 21.31 N ATOM 0 H ARG A 23 -3.188 2.603 -7.496 1.00 35.11 H new ATOM 0 HA ARG A 23 -0.641 3.566 -6.597 1.00 74.11 H new ATOM 0 HB2 ARG A 23 -2.098 3.466 -9.253 1.00 71.02 H new ATOM 0 HB3 ARG A 23 -0.568 4.305 -9.097 1.00 71.02 H new ATOM 0 HG2 ARG A 23 0.581 2.291 -8.424 1.00 34.05 H new ATOM 0 HG3 ARG A 23 -0.924 1.428 -8.180 1.00 34.05 H new ATOM 0 HD2 ARG A 23 -0.185 0.649 -10.294 1.00 14.41 H new ATOM 0 HD3 ARG A 23 -1.390 1.853 -10.704 1.00 14.41 H new ATOM 0 HE ARG A 23 0.773 3.424 -10.764 1.00 74.30 H new ATOM 0 HH11 ARG A 23 0.300 0.207 -12.187 1.00 51.42 H new ATOM 0 HH12 ARG A 23 1.596 0.433 -13.367 1.00 51.42 H new ATOM 0 HH21 ARG A 23 2.482 3.636 -12.205 1.00 21.31 H new ATOM 0 HH22 ARG A 23 2.818 2.356 -13.375 1.00 21.31 H new ATOM 372 N LYS A 24 -3.065 5.674 -7.426 1.00 32.34 N ATOM 373 CA LYS A 24 -3.516 7.048 -7.334 1.00 33.15 C ATOM 374 C LYS A 24 -3.718 7.457 -5.881 1.00 12.42 C ATOM 375 O LYS A 24 -3.947 8.649 -5.642 1.00 21.52 O ATOM 376 CB LYS A 24 -4.797 7.303 -8.152 1.00 44.04 C ATOM 377 CG LYS A 24 -4.761 6.627 -9.527 1.00 11.34 C ATOM 378 CD LYS A 24 -5.809 7.142 -10.520 1.00 44.02 C ATOM 379 CE LYS A 24 -5.188 8.191 -11.456 1.00 72.30 C ATOM 380 NZ LYS A 24 -6.068 8.510 -12.599 1.00 61.44 N ATOM 0 H LYS A 24 -3.776 5.025 -7.763 1.00 32.34 H new ATOM 0 HA LYS A 24 -2.730 7.667 -7.767 1.00 33.15 H new ATOM 0 HB2 LYS A 24 -5.659 6.938 -7.594 1.00 44.04 H new ATOM 0 HB3 LYS A 24 -4.933 8.377 -8.282 1.00 44.04 H new ATOM 0 HG2 LYS A 24 -3.770 6.766 -9.960 1.00 11.34 H new ATOM 0 HG3 LYS A 24 -4.902 5.554 -9.394 1.00 11.34 H new ATOM 0 HD2 LYS A 24 -6.204 6.312 -11.105 1.00 44.02 H new ATOM 0 HD3 LYS A 24 -6.648 7.579 -9.979 1.00 44.02 H new ATOM 0 HE2 LYS A 24 -4.982 9.101 -10.893 1.00 72.30 H new ATOM 0 HE3 LYS A 24 -4.232 7.823 -11.828 1.00 72.30 H new ATOM 0 HZ1 LYS A 24 -5.609 9.221 -13.203 1.00 61.44 H new ATOM 0 HZ2 LYS A 24 -6.244 7.647 -13.153 1.00 61.44 H new ATOM 0 HZ3 LYS A 24 -6.971 8.886 -12.247 1.00 61.44 H new ATOM 394 N GLU A 25 -3.653 6.531 -4.915 1.00 73.51 N ATOM 395 CA GLU A 25 -3.707 6.887 -3.509 1.00 42.13 C ATOM 396 C GLU A 25 -2.491 6.530 -2.669 1.00 61.32 C ATOM 397 O GLU A 25 -2.386 7.032 -1.548 1.00 71.33 O ATOM 398 CB GLU A 25 -5.055 6.590 -2.861 1.00 72.53 C ATOM 399 CG GLU A 25 -5.429 5.289 -2.191 1.00 41.14 C ATOM 400 CD GLU A 25 -6.256 5.726 -0.979 1.00 23.45 C ATOM 401 OE1 GLU A 25 -7.414 6.157 -1.169 1.00 2.45 O ATOM 402 OE2 GLU A 25 -5.681 5.860 0.130 1.00 32.34 O ATOM 0 H GLU A 25 -3.563 5.531 -5.092 1.00 73.51 H new ATOM 0 HA GLU A 25 -3.631 7.974 -3.523 1.00 42.13 H new ATOM 0 HB2 GLU A 25 -5.203 7.366 -2.110 1.00 72.53 H new ATOM 0 HB3 GLU A 25 -5.802 6.752 -3.638 1.00 72.53 H new ATOM 0 HG2 GLU A 25 -6.005 4.647 -2.858 1.00 41.14 H new ATOM 0 HG3 GLU A 25 -4.546 4.726 -1.890 1.00 41.14 H new ATOM 409 N PHE A 26 -1.522 5.811 -3.228 1.00 0.12 N ATOM 410 CA PHE A 26 -0.246 5.483 -2.615 1.00 1.11 C ATOM 411 C PHE A 26 0.403 6.732 -2.017 1.00 22.12 C ATOM 412 O PHE A 26 0.851 6.719 -0.866 1.00 33.13 O ATOM 413 CB PHE A 26 0.647 4.859 -3.699 1.00 44.43 C ATOM 414 CG PHE A 26 2.077 4.619 -3.273 1.00 31.41 C ATOM 415 CD1 PHE A 26 2.338 3.936 -2.072 1.00 1.14 C ATOM 416 CD2 PHE A 26 3.145 5.065 -4.076 1.00 62.44 C ATOM 417 CE1 PHE A 26 3.661 3.704 -1.675 1.00 73.11 C ATOM 418 CE2 PHE A 26 4.470 4.819 -3.681 1.00 41.30 C ATOM 419 CZ PHE A 26 4.725 4.131 -2.486 1.00 22.12 C ATOM 0 H PHE A 26 -1.613 5.424 -4.167 1.00 0.12 H new ATOM 0 HA PHE A 26 -0.387 4.776 -1.797 1.00 1.11 H new ATOM 0 HB2 PHE A 26 0.210 3.910 -4.010 1.00 44.43 H new ATOM 0 HB3 PHE A 26 0.646 5.511 -4.572 1.00 44.43 H new ATOM 0 HD1 PHE A 26 1.520 3.591 -1.457 1.00 1.14 H new ATOM 0 HD2 PHE A 26 2.945 5.596 -4.995 1.00 62.44 H new ATOM 0 HE1 PHE A 26 3.863 3.196 -0.744 1.00 73.11 H new ATOM 0 HE2 PHE A 26 5.290 5.159 -4.296 1.00 41.30 H new ATOM 0 HZ PHE A 26 5.743 3.929 -2.188 1.00 22.12 H new ATOM 429 N HIS A 27 0.391 7.814 -2.800 1.00 35.43 N ATOM 430 CA HIS A 27 1.002 9.093 -2.489 1.00 12.15 C ATOM 431 C HIS A 27 -0.041 10.188 -2.219 1.00 55.13 C ATOM 432 O HIS A 27 0.334 11.351 -2.080 1.00 31.14 O ATOM 433 CB HIS A 27 2.017 9.441 -3.591 1.00 2.21 C ATOM 434 CG HIS A 27 1.489 9.557 -5.005 1.00 0.53 C ATOM 435 ND1 HIS A 27 1.242 10.730 -5.681 1.00 64.14 N ATOM 436 CD2 HIS A 27 1.319 8.530 -5.897 1.00 11.25 C ATOM 437 CE1 HIS A 27 0.904 10.415 -6.941 1.00 43.34 C ATOM 438 NE2 HIS A 27 0.939 9.083 -7.125 1.00 34.23 N ATOM 0 H HIS A 27 -0.069 7.814 -3.710 1.00 35.43 H new ATOM 0 HA HIS A 27 1.550 9.021 -1.549 1.00 12.15 H new ATOM 0 HB2 HIS A 27 2.490 10.387 -3.328 1.00 2.21 H new ATOM 0 HB3 HIS A 27 2.798 8.681 -3.583 1.00 2.21 H new ATOM 0 HD2 HIS A 27 1.455 7.479 -5.689 1.00 11.25 H new ATOM 0 HE1 HIS A 27 0.640 11.133 -7.703 1.00 43.34 H new ATOM 0 HE2 HIS A 27 0.731 8.578 -7.986 1.00 34.23 H new ATOM 446 N CYS A 28 -1.330 9.841 -2.103 1.00 13.43 N ATOM 447 CA CYS A 28 -2.396 10.788 -1.769 1.00 32.53 C ATOM 448 C CYS A 28 -2.228 11.307 -0.343 1.00 24.34 C ATOM 449 O CYS A 28 -2.404 12.501 -0.099 1.00 4.13 O ATOM 450 CB CYS A 28 -3.759 10.112 -1.993 1.00 60.24 C ATOM 451 SG CYS A 28 -5.172 11.110 -1.454 1.00 74.13 S ATOM 0 H CYS A 28 -1.662 8.886 -2.240 1.00 13.43 H new ATOM 0 HA CYS A 28 -2.340 11.659 -2.423 1.00 32.53 H new ATOM 0 HB2 CYS A 28 -3.871 9.885 -3.053 1.00 60.24 H new ATOM 0 HB3 CYS A 28 -3.774 9.161 -1.460 1.00 60.24 H new ATOM 0 HG CYS A 28 -6.275 10.461 -1.684 1.00 74.13 H new ATOM 457 N LYS A 29 -1.897 10.431 0.607 1.00 71.43 N ATOM 458 CA LYS A 29 -1.721 10.795 2.007 1.00 63.30 C ATOM 459 C LYS A 29 -0.476 10.135 2.537 1.00 73.54 C ATOM 460 O LYS A 29 -0.101 9.061 2.056 1.00 41.40 O ATOM 461 CB LYS A 29 -2.926 10.331 2.837 1.00 72.54 C ATOM 462 CG LYS A 29 -4.135 11.236 2.613 1.00 1.24 C ATOM 463 CD LYS A 29 -5.410 10.621 3.184 1.00 24.22 C ATOM 464 CE LYS A 29 -5.980 9.544 2.262 1.00 40.00 C ATOM 465 NZ LYS A 29 -7.427 9.400 2.492 1.00 32.41 N ATOM 0 H LYS A 29 -1.743 9.440 0.421 1.00 71.43 H new ATOM 0 HA LYS A 29 -1.635 11.879 2.081 1.00 63.30 H new ATOM 0 HB2 LYS A 29 -3.182 9.306 2.569 1.00 72.54 H new ATOM 0 HB3 LYS A 29 -2.662 10.328 3.895 1.00 72.54 H new ATOM 0 HG2 LYS A 29 -3.957 12.205 3.080 1.00 1.24 H new ATOM 0 HG3 LYS A 29 -4.263 11.415 1.546 1.00 1.24 H new ATOM 0 HD2 LYS A 29 -5.199 10.188 4.162 1.00 24.22 H new ATOM 0 HD3 LYS A 29 -6.155 11.402 3.335 1.00 24.22 H new ATOM 0 HE2 LYS A 29 -5.793 9.808 1.221 1.00 40.00 H new ATOM 0 HE3 LYS A 29 -5.478 8.594 2.445 1.00 40.00 H new ATOM 0 HZ1 LYS A 29 -7.693 8.398 2.411 1.00 32.41 H new ATOM 0 HZ2 LYS A 29 -7.663 9.745 3.444 1.00 32.41 H new ATOM 0 HZ3 LYS A 29 -7.948 9.955 1.783 1.00 32.41 H new ATOM 479 N LYS A 30 0.064 10.702 3.611 1.00 61.52 N ATOM 480 CA LYS A 30 1.097 10.063 4.397 1.00 32.11 C ATOM 481 C LYS A 30 0.621 8.716 4.906 1.00 33.51 C ATOM 482 O LYS A 30 1.291 7.712 4.663 1.00 23.34 O ATOM 483 CB LYS A 30 1.624 11.015 5.479 1.00 31.45 C ATOM 484 CG LYS A 30 0.661 11.370 6.622 1.00 73.42 C ATOM 485 CD LYS A 30 0.914 12.798 7.131 1.00 42.14 C ATOM 486 CE LYS A 30 0.365 13.097 8.534 1.00 40.22 C ATOM 487 NZ LYS A 30 -1.100 13.273 8.550 1.00 35.43 N ATOM 0 H LYS A 30 -0.208 11.622 3.957 1.00 61.52 H new ATOM 0 HA LYS A 30 1.961 9.844 3.769 1.00 32.11 H new ATOM 0 HB2 LYS A 30 2.519 10.571 5.915 1.00 31.45 H new ATOM 0 HB3 LYS A 30 1.932 11.942 4.995 1.00 31.45 H new ATOM 0 HG2 LYS A 30 -0.369 11.280 6.276 1.00 73.42 H new ATOM 0 HG3 LYS A 30 0.785 10.661 7.440 1.00 73.42 H new ATOM 0 HD2 LYS A 30 1.988 12.982 7.132 1.00 42.14 H new ATOM 0 HD3 LYS A 30 0.471 13.502 6.427 1.00 42.14 H new ATOM 0 HE2 LYS A 30 0.636 12.283 9.206 1.00 40.22 H new ATOM 0 HE3 LYS A 30 0.839 14.000 8.920 1.00 40.22 H new ATOM 0 HZ1 LYS A 30 -1.415 13.472 9.521 1.00 35.43 H new ATOM 0 HZ2 LYS A 30 -1.361 14.067 7.931 1.00 35.43 H new ATOM 0 HZ3 LYS A 30 -1.558 12.404 8.209 1.00 35.43 H new ATOM 501 N TYR A 31 -0.551 8.656 5.541 1.00 12.03 N ATOM 502 CA TYR A 31 -1.160 7.396 5.909 1.00 52.04 C ATOM 503 C TYR A 31 -2.673 7.532 6.047 1.00 24.34 C ATOM 504 O TYR A 31 -3.189 8.640 6.183 1.00 71.54 O ATOM 505 CB TYR A 31 -0.513 6.851 7.192 1.00 41.40 C ATOM 506 CG TYR A 31 -0.600 7.768 8.396 1.00 31.25 C ATOM 507 CD1 TYR A 31 -1.768 7.789 9.173 1.00 32.45 C ATOM 508 CD2 TYR A 31 0.472 8.615 8.732 1.00 13.04 C ATOM 509 CE1 TYR A 31 -1.879 8.644 10.278 1.00 2.05 C ATOM 510 CE2 TYR A 31 0.358 9.495 9.825 1.00 12.25 C ATOM 511 CZ TYR A 31 -0.815 9.505 10.612 1.00 40.24 C ATOM 512 OH TYR A 31 -0.938 10.346 11.675 1.00 43.10 O ATOM 0 H TYR A 31 -1.093 9.477 5.809 1.00 12.03 H new ATOM 0 HA TYR A 31 -0.981 6.676 5.111 1.00 52.04 H new ATOM 0 HB2 TYR A 31 -0.985 5.901 7.443 1.00 41.40 H new ATOM 0 HB3 TYR A 31 0.537 6.641 6.990 1.00 41.40 H new ATOM 0 HD1 TYR A 31 -2.591 7.139 8.917 1.00 32.45 H new ATOM 0 HD2 TYR A 31 1.382 8.590 8.151 1.00 13.04 H new ATOM 0 HE1 TYR A 31 -2.780 8.643 10.873 1.00 2.05 H new ATOM 0 HE2 TYR A 31 1.171 10.165 10.063 1.00 12.25 H new ATOM 0 HH TYR A 31 -0.117 10.872 11.773 1.00 43.10 H new ATOM 522 N LEU A 32 -3.363 6.388 6.031 1.00 73.34 N ATOM 523 CA LEU A 32 -4.801 6.260 6.266 1.00 3.42 C ATOM 524 C LEU A 32 -5.061 5.955 7.742 1.00 11.02 C ATOM 525 O LEU A 32 -4.199 5.405 8.434 1.00 13.34 O ATOM 526 CB LEU A 32 -5.361 5.080 5.448 1.00 12.22 C ATOM 527 CG LEU A 32 -5.637 5.361 3.963 1.00 1.24 C ATOM 528 CD1 LEU A 32 -4.381 5.776 3.213 1.00 2.33 C ATOM 529 CD2 LEU A 32 -6.241 4.119 3.299 1.00 44.02 C ATOM 0 H LEU A 32 -2.915 5.490 5.846 1.00 73.34 H new ATOM 0 HA LEU A 32 -5.280 7.195 5.975 1.00 3.42 H new ATOM 0 HB2 LEU A 32 -4.657 4.250 5.516 1.00 12.22 H new ATOM 0 HB3 LEU A 32 -6.289 4.749 5.913 1.00 12.22 H new ATOM 0 HG LEU A 32 -6.342 6.191 3.917 1.00 1.24 H new ATOM 0 HD11 LEU A 32 -4.627 5.964 2.168 1.00 2.33 H new ATOM 0 HD12 LEU A 32 -3.974 6.684 3.659 1.00 2.33 H new ATOM 0 HD13 LEU A 32 -3.641 4.978 3.274 1.00 2.33 H new ATOM 0 HD21 LEU A 32 -6.434 4.327 2.246 1.00 44.02 H new ATOM 0 HD22 LEU A 32 -5.543 3.286 3.383 1.00 44.02 H new ATOM 0 HD23 LEU A 32 -7.176 3.860 3.795 1.00 44.02 H new ATOM 541 N SER A 33 -6.282 6.192 8.210 1.00 44.02 N ATOM 542 CA SER A 33 -6.802 5.714 9.486 1.00 41.31 C ATOM 543 C SER A 33 -7.864 4.639 9.254 1.00 43.01 C ATOM 544 O SER A 33 -8.018 4.168 8.128 1.00 43.00 O ATOM 545 CB SER A 33 -7.268 6.907 10.328 1.00 53.24 C ATOM 546 OG SER A 33 -6.864 6.712 11.671 1.00 35.51 O ATOM 0 H SER A 33 -6.964 6.744 7.690 1.00 44.02 H new ATOM 0 HA SER A 33 -6.021 5.224 10.067 1.00 41.31 H new ATOM 0 HB2 SER A 33 -6.843 7.832 9.938 1.00 53.24 H new ATOM 0 HB3 SER A 33 -8.352 7.006 10.272 1.00 53.24 H new ATOM 0 HG SER A 33 -7.158 7.473 12.215 1.00 35.51 H new ATOM 552 N LEU A 34 -8.539 4.186 10.315 1.00 20.51 N ATOM 553 CA LEU A 34 -9.482 3.067 10.259 1.00 1.43 C ATOM 554 C LEU A 34 -10.636 3.433 9.329 1.00 33.25 C ATOM 555 O LEU A 34 -11.083 2.597 8.546 1.00 61.40 O ATOM 556 CB LEU A 34 -10.025 2.744 11.666 1.00 74.34 C ATOM 557 CG LEU A 34 -9.149 1.913 12.623 1.00 23.32 C ATOM 558 CD1 LEU A 34 -9.207 0.431 12.255 1.00 44.40 C ATOM 559 CD2 LEU A 34 -7.684 2.365 12.693 1.00 61.50 C ATOM 0 H LEU A 34 -8.444 4.591 11.246 1.00 20.51 H new ATOM 0 HA LEU A 34 -8.967 2.185 9.880 1.00 1.43 H new ATOM 0 HB2 LEU A 34 -10.249 3.690 12.159 1.00 74.34 H new ATOM 0 HB3 LEU A 34 -10.971 2.217 11.542 1.00 74.34 H new ATOM 0 HG LEU A 34 -9.572 2.078 13.614 1.00 23.32 H new ATOM 0 HD11 LEU A 34 -8.582 -0.139 12.942 1.00 44.40 H new ATOM 0 HD12 LEU A 34 -10.236 0.079 12.324 1.00 44.40 H new ATOM 0 HD13 LEU A 34 -8.844 0.295 11.236 1.00 44.40 H new ATOM 0 HD21 LEU A 34 -7.139 1.727 13.389 1.00 61.50 H new ATOM 0 HD22 LEU A 34 -7.233 2.291 11.704 1.00 61.50 H new ATOM 0 HD23 LEU A 34 -7.638 3.398 13.036 1.00 61.50 H new ATOM 571 N THR A 35 -11.094 4.687 9.389 1.00 20.33 N ATOM 572 CA THR A 35 -12.132 5.220 8.520 1.00 43.44 C ATOM 573 C THR A 35 -11.738 4.993 7.052 1.00 41.42 C ATOM 574 O THR A 35 -12.466 4.381 6.278 1.00 11.11 O ATOM 575 CB THR A 35 -12.318 6.723 8.821 1.00 61.23 C ATOM 576 OG1 THR A 35 -12.123 7.056 10.192 1.00 1.15 O ATOM 577 CG2 THR A 35 -13.696 7.209 8.365 1.00 0.15 C ATOM 0 H THR A 35 -10.742 5.370 10.060 1.00 20.33 H new ATOM 0 HA THR A 35 -13.077 4.709 8.701 1.00 43.44 H new ATOM 0 HB THR A 35 -11.540 7.234 8.253 1.00 61.23 H new ATOM 0 HG1 THR A 35 -12.253 8.019 10.316 1.00 1.15 H new ATOM 0 HG21 THR A 35 -13.800 8.271 8.589 1.00 0.15 H new ATOM 0 HG22 THR A 35 -13.800 7.053 7.291 1.00 0.15 H new ATOM 0 HG23 THR A 35 -14.471 6.650 8.889 1.00 0.15 H new ATOM 585 N GLU A 36 -10.561 5.479 6.664 1.00 0.14 N ATOM 586 CA GLU A 36 -10.111 5.482 5.281 1.00 0.13 C ATOM 587 C GLU A 36 -9.784 4.065 4.819 1.00 60.53 C ATOM 588 O GLU A 36 -10.143 3.670 3.714 1.00 24.22 O ATOM 589 CB GLU A 36 -8.898 6.405 5.174 1.00 34.12 C ATOM 590 CG GLU A 36 -9.260 7.875 5.443 1.00 20.34 C ATOM 591 CD GLU A 36 -8.046 8.693 5.864 1.00 61.41 C ATOM 592 OE1 GLU A 36 -7.375 8.314 6.845 1.00 43.42 O ATOM 593 OE2 GLU A 36 -7.727 9.704 5.195 1.00 60.52 O ATOM 0 H GLU A 36 -9.887 5.886 7.312 1.00 0.14 H new ATOM 0 HA GLU A 36 -10.901 5.851 4.627 1.00 0.13 H new ATOM 0 HB2 GLU A 36 -8.136 6.085 5.885 1.00 34.12 H new ATOM 0 HB3 GLU A 36 -8.463 6.316 4.179 1.00 34.12 H new ATOM 0 HG2 GLU A 36 -9.697 8.311 4.545 1.00 20.34 H new ATOM 0 HG3 GLU A 36 -10.019 7.925 6.224 1.00 20.34 H new ATOM 600 N ARG A 37 -9.125 3.270 5.666 1.00 12.01 N ATOM 601 CA ARG A 37 -8.815 1.878 5.347 1.00 11.02 C ATOM 602 C ARG A 37 -10.083 1.079 5.081 1.00 64.23 C ATOM 603 O ARG A 37 -10.019 0.202 4.227 1.00 72.43 O ATOM 604 CB ARG A 37 -7.953 1.238 6.447 1.00 2.44 C ATOM 605 CG ARG A 37 -6.466 1.555 6.216 1.00 60.14 C ATOM 606 CD ARG A 37 -5.640 1.536 7.504 1.00 24.53 C ATOM 607 NE ARG A 37 -4.231 1.911 7.255 1.00 54.13 N ATOM 608 CZ ARG A 37 -3.354 2.328 8.183 1.00 74.50 C ATOM 609 NH1 ARG A 37 -3.714 2.385 9.464 1.00 21.22 N ATOM 610 NH2 ARG A 37 -2.114 2.667 7.843 1.00 33.51 N ATOM 0 H ARG A 37 -8.795 3.571 6.583 1.00 12.01 H new ATOM 0 HA ARG A 37 -8.229 1.864 4.428 1.00 11.02 H new ATOM 0 HB2 ARG A 37 -8.263 1.610 7.423 1.00 2.44 H new ATOM 0 HB3 ARG A 37 -8.104 0.159 6.454 1.00 2.44 H new ATOM 0 HG2 ARG A 37 -6.051 0.831 5.515 1.00 60.14 H new ATOM 0 HG3 ARG A 37 -6.378 2.536 5.750 1.00 60.14 H new ATOM 0 HD2 ARG A 37 -6.078 2.224 8.227 1.00 24.53 H new ATOM 0 HD3 ARG A 37 -5.679 0.541 7.947 1.00 24.53 H new ATOM 0 HE ARG A 37 -3.896 1.847 6.294 1.00 54.13 H new ATOM 0 HH11 ARG A 37 -4.657 2.112 9.741 1.00 21.22 H new ATOM 0 HH12 ARG A 37 -3.047 2.702 10.168 1.00 21.22 H new ATOM 0 HH21 ARG A 37 -1.819 2.612 6.868 1.00 33.51 H new ATOM 0 HH22 ARG A 37 -1.457 2.982 8.557 1.00 33.51 H new ATOM 624 N SER A 38 -11.201 1.371 5.751 1.00 4.12 N ATOM 625 CA SER A 38 -12.470 0.743 5.422 1.00 44.33 C ATOM 626 C SER A 38 -12.864 1.057 3.981 1.00 24.23 C ATOM 627 O SER A 38 -13.176 0.132 3.238 1.00 35.52 O ATOM 628 CB SER A 38 -13.562 1.139 6.422 1.00 64.51 C ATOM 629 OG SER A 38 -14.288 -0.019 6.792 1.00 0.15 O ATOM 0 H SER A 38 -11.247 2.038 6.522 1.00 4.12 H new ATOM 0 HA SER A 38 -12.352 -0.338 5.501 1.00 44.33 H new ATOM 0 HB2 SER A 38 -13.117 1.602 7.303 1.00 64.51 H new ATOM 0 HB3 SER A 38 -14.230 1.877 5.978 1.00 64.51 H new ATOM 0 HG SER A 38 -13.708 -0.619 7.306 1.00 0.15 H new ATOM 635 N GLN A 39 -12.825 2.323 3.564 1.00 3.24 N ATOM 636 CA GLN A 39 -13.294 2.756 2.252 1.00 55.02 C ATOM 637 C GLN A 39 -12.504 2.048 1.149 1.00 72.34 C ATOM 638 O GLN A 39 -13.077 1.304 0.351 1.00 14.32 O ATOM 639 CB GLN A 39 -13.170 4.290 2.133 1.00 63.51 C ATOM 640 CG GLN A 39 -14.024 5.070 3.145 1.00 13.03 C ATOM 641 CD GLN A 39 -13.544 6.509 3.303 1.00 44.24 C ATOM 642 OE1 GLN A 39 -13.491 7.277 2.349 1.00 41.04 O ATOM 643 NE2 GLN A 39 -13.148 6.885 4.507 1.00 4.01 N ATOM 0 H GLN A 39 -12.462 3.085 4.137 1.00 3.24 H new ATOM 0 HA GLN A 39 -14.344 2.488 2.136 1.00 55.02 H new ATOM 0 HB2 GLN A 39 -12.125 4.570 2.264 1.00 63.51 H new ATOM 0 HB3 GLN A 39 -13.457 4.590 1.125 1.00 63.51 H new ATOM 0 HG2 GLN A 39 -15.065 5.068 2.820 1.00 13.03 H new ATOM 0 HG3 GLN A 39 -13.991 4.568 4.112 1.00 13.03 H new ATOM 0 HE21 GLN A 39 -13.200 6.231 5.288 1.00 4.01 H new ATOM 0 HE22 GLN A 39 -12.791 7.829 4.655 1.00 4.01 H new ATOM 652 N ILE A 40 -11.181 2.224 1.149 1.00 60.10 N ATOM 653 CA ILE A 40 -10.257 1.800 0.084 1.00 74.12 C ATOM 654 C ILE A 40 -10.031 0.283 0.099 1.00 52.12 C ATOM 655 O ILE A 40 -9.342 -0.274 -0.751 1.00 53.22 O ATOM 656 CB ILE A 40 -8.940 2.610 0.224 1.00 75.20 C ATOM 657 CG1 ILE A 40 -9.208 4.102 0.473 1.00 31.12 C ATOM 658 CG2 ILE A 40 -7.989 2.509 -0.989 1.00 64.34 C ATOM 659 CD1 ILE A 40 -10.067 4.736 -0.616 1.00 33.52 C ATOM 0 H ILE A 40 -10.700 2.685 1.921 1.00 60.10 H new ATOM 0 HA ILE A 40 -10.693 2.013 -0.892 1.00 74.12 H new ATOM 0 HB ILE A 40 -8.451 2.148 1.082 1.00 75.20 H new ATOM 0 HG12 ILE A 40 -9.703 4.222 1.437 1.00 31.12 H new ATOM 0 HG13 ILE A 40 -8.258 4.632 0.535 1.00 31.12 H new ATOM 0 HG21 ILE A 40 -7.096 3.106 -0.802 1.00 64.34 H new ATOM 0 HG22 ILE A 40 -7.704 1.468 -1.142 1.00 64.34 H new ATOM 0 HG23 ILE A 40 -8.495 2.882 -1.880 1.00 64.34 H new ATOM 0 HD11 ILE A 40 -10.224 5.790 -0.388 1.00 33.52 H new ATOM 0 HD12 ILE A 40 -9.562 4.644 -1.578 1.00 33.52 H new ATOM 0 HD13 ILE A 40 -11.030 4.228 -0.662 1.00 33.52 H new ATOM 671 N ALA A 41 -10.631 -0.397 1.067 1.00 32.41 N ATOM 672 CA ALA A 41 -10.703 -1.846 1.120 1.00 22.21 C ATOM 673 C ALA A 41 -12.063 -2.311 0.636 1.00 34.33 C ATOM 674 O ALA A 41 -12.126 -3.169 -0.236 1.00 71.22 O ATOM 675 CB ALA A 41 -10.391 -2.343 2.531 1.00 62.40 C ATOM 0 H ALA A 41 -11.092 0.058 1.855 1.00 32.41 H new ATOM 0 HA ALA A 41 -9.952 -2.274 0.457 1.00 22.21 H new ATOM 0 HB1 ALA A 41 -10.449 -3.431 2.555 1.00 62.40 H new ATOM 0 HB2 ALA A 41 -9.387 -2.027 2.814 1.00 62.40 H new ATOM 0 HB3 ALA A 41 -11.114 -1.926 3.232 1.00 62.40 H new ATOM 681 N HIS A 42 -13.147 -1.754 1.177 1.00 62.14 N ATOM 682 CA HIS A 42 -14.507 -2.142 0.852 1.00 21.42 C ATOM 683 C HIS A 42 -14.776 -1.924 -0.632 1.00 14.05 C ATOM 684 O HIS A 42 -15.317 -2.823 -1.273 1.00 64.40 O ATOM 685 CB HIS A 42 -15.469 -1.331 1.729 1.00 63.23 C ATOM 686 CG HIS A 42 -16.933 -1.662 1.581 1.00 13.05 C ATOM 687 ND1 HIS A 42 -17.800 -1.871 2.632 1.00 60.12 N ATOM 688 CD2 HIS A 42 -17.672 -1.669 0.426 1.00 14.32 C ATOM 689 CE1 HIS A 42 -19.038 -1.995 2.120 1.00 4.05 C ATOM 690 NE2 HIS A 42 -19.001 -1.890 0.785 1.00 40.20 N ATOM 0 H HIS A 42 -13.096 -1.005 1.867 1.00 62.14 H new ATOM 0 HA HIS A 42 -14.658 -3.203 1.053 1.00 21.42 H new ATOM 0 HB2 HIS A 42 -15.188 -1.475 2.772 1.00 63.23 H new ATOM 0 HB3 HIS A 42 -15.331 -0.273 1.504 1.00 63.23 H new ATOM 0 HD2 HIS A 42 -17.295 -1.529 -0.576 1.00 14.32 H new ATOM 0 HE1 HIS A 42 -19.933 -2.156 2.702 1.00 4.05 H new ATOM 0 HE2 HIS A 42 -19.796 -1.959 0.150 1.00 40.20 H new ATOM 698 N ALA A 43 -14.392 -0.762 -1.173 1.00 75.54 N ATOM 699 CA ALA A 43 -14.627 -0.420 -2.572 1.00 1.32 C ATOM 700 C ALA A 43 -13.929 -1.409 -3.512 1.00 34.51 C ATOM 701 O ALA A 43 -14.396 -1.658 -4.623 1.00 23.41 O ATOM 702 CB ALA A 43 -14.134 1.008 -2.821 1.00 62.31 C ATOM 0 H ALA A 43 -13.909 -0.033 -0.648 1.00 75.54 H new ATOM 0 HA ALA A 43 -15.695 -0.480 -2.780 1.00 1.32 H new ATOM 0 HB1 ALA A 43 -14.304 1.275 -3.864 1.00 62.31 H new ATOM 0 HB2 ALA A 43 -14.678 1.698 -2.176 1.00 62.31 H new ATOM 0 HB3 ALA A 43 -13.068 1.069 -2.600 1.00 62.31 H new ATOM 708 N LEU A 44 -12.844 -2.030 -3.046 1.00 62.44 N ATOM 709 CA LEU A 44 -12.054 -3.008 -3.782 1.00 40.13 C ATOM 710 C LEU A 44 -12.346 -4.429 -3.282 1.00 53.42 C ATOM 711 O LEU A 44 -11.658 -5.360 -3.682 1.00 2.33 O ATOM 712 CB LEU A 44 -10.559 -2.644 -3.673 1.00 44.24 C ATOM 713 CG LEU A 44 -10.215 -1.211 -4.141 1.00 53.30 C ATOM 714 CD1 LEU A 44 -8.712 -0.961 -4.023 1.00 33.45 C ATOM 715 CD2 LEU A 44 -10.632 -0.937 -5.592 1.00 21.35 C ATOM 0 H LEU A 44 -12.481 -1.856 -2.109 1.00 62.44 H new ATOM 0 HA LEU A 44 -12.331 -2.986 -4.836 1.00 40.13 H new ATOM 0 HB2 LEU A 44 -10.244 -2.760 -2.636 1.00 44.24 H new ATOM 0 HB3 LEU A 44 -9.980 -3.355 -4.263 1.00 44.24 H new ATOM 0 HG LEU A 44 -10.777 -0.540 -3.491 1.00 53.30 H new ATOM 0 HD11 LEU A 44 -8.484 0.052 -4.356 1.00 33.45 H new ATOM 0 HD12 LEU A 44 -8.404 -1.079 -2.984 1.00 33.45 H new ATOM 0 HD13 LEU A 44 -8.174 -1.677 -4.645 1.00 33.45 H new ATOM 0 HD21 LEU A 44 -10.364 0.085 -5.861 1.00 21.35 H new ATOM 0 HD22 LEU A 44 -10.119 -1.633 -6.256 1.00 21.35 H new ATOM 0 HD23 LEU A 44 -11.710 -1.067 -5.692 1.00 21.35 H new ATOM 727 N LYS A 45 -13.345 -4.615 -2.412 1.00 4.04 N ATOM 728 CA LYS A 45 -13.733 -5.857 -1.738 1.00 62.33 C ATOM 729 C LYS A 45 -12.637 -6.577 -0.950 1.00 3.11 C ATOM 730 O LYS A 45 -12.824 -7.726 -0.531 1.00 51.32 O ATOM 731 CB LYS A 45 -14.459 -6.787 -2.724 1.00 35.24 C ATOM 732 CG LYS A 45 -15.913 -6.925 -2.275 1.00 11.35 C ATOM 733 CD LYS A 45 -16.657 -7.951 -3.130 1.00 52.41 C ATOM 734 CE LYS A 45 -18.167 -7.736 -3.003 1.00 44.04 C ATOM 735 NZ LYS A 45 -18.595 -6.467 -3.629 1.00 20.42 N ATOM 0 H LYS A 45 -13.950 -3.840 -2.140 1.00 4.04 H new ATOM 0 HA LYS A 45 -14.419 -5.550 -0.948 1.00 62.33 H new ATOM 0 HB2 LYS A 45 -14.411 -6.380 -3.734 1.00 35.24 H new ATOM 0 HB3 LYS A 45 -13.976 -7.764 -2.750 1.00 35.24 H new ATOM 0 HG2 LYS A 45 -15.947 -7.226 -1.228 1.00 11.35 H new ATOM 0 HG3 LYS A 45 -16.412 -5.958 -2.345 1.00 11.35 H new ATOM 0 HD2 LYS A 45 -16.354 -7.857 -4.173 1.00 52.41 H new ATOM 0 HD3 LYS A 45 -16.396 -8.960 -2.812 1.00 52.41 H new ATOM 0 HE2 LYS A 45 -18.693 -8.568 -3.471 1.00 44.04 H new ATOM 0 HE3 LYS A 45 -18.447 -7.734 -1.949 1.00 44.04 H new ATOM 0 HZ1 LYS A 45 -19.595 -6.536 -3.906 1.00 20.42 H new ATOM 0 HZ2 LYS A 45 -18.477 -5.688 -2.950 1.00 20.42 H new ATOM 0 HZ3 LYS A 45 -18.014 -6.283 -4.472 1.00 20.42 H new ATOM 749 N LEU A 46 -11.508 -5.928 -0.702 1.00 21.32 N ATOM 750 CA LEU A 46 -10.426 -6.458 0.116 1.00 51.22 C ATOM 751 C LEU A 46 -10.769 -6.294 1.596 1.00 14.44 C ATOM 752 O LEU A 46 -11.695 -5.557 1.954 1.00 4.45 O ATOM 753 CB LEU A 46 -9.134 -5.728 -0.270 1.00 13.41 C ATOM 754 CG LEU A 46 -8.515 -6.353 -1.536 1.00 63.51 C ATOM 755 CD1 LEU A 46 -7.728 -5.312 -2.319 1.00 44.02 C ATOM 756 CD2 LEU A 46 -7.597 -7.522 -1.158 1.00 14.41 C ATOM 0 H LEU A 46 -11.314 -4.997 -1.072 1.00 21.32 H new ATOM 0 HA LEU A 46 -10.285 -7.525 -0.059 1.00 51.22 H new ATOM 0 HB2 LEU A 46 -9.344 -4.673 -0.444 1.00 13.41 H new ATOM 0 HB3 LEU A 46 -8.421 -5.779 0.553 1.00 13.41 H new ATOM 0 HG LEU A 46 -9.325 -6.724 -2.164 1.00 63.51 H new ATOM 0 HD11 LEU A 46 -7.299 -5.773 -3.209 1.00 44.02 H new ATOM 0 HD12 LEU A 46 -8.393 -4.501 -2.616 1.00 44.02 H new ATOM 0 HD13 LEU A 46 -6.928 -4.915 -1.694 1.00 44.02 H new ATOM 0 HD21 LEU A 46 -7.167 -7.954 -2.062 1.00 14.41 H new ATOM 0 HD22 LEU A 46 -6.797 -7.162 -0.511 1.00 14.41 H new ATOM 0 HD23 LEU A 46 -8.174 -8.282 -0.632 1.00 14.41 H new ATOM 768 N SER A 47 -10.018 -6.958 2.477 1.00 74.33 N ATOM 769 CA SER A 47 -10.051 -6.688 3.906 1.00 21.31 C ATOM 770 C SER A 47 -9.166 -5.479 4.193 1.00 62.51 C ATOM 771 O SER A 47 -8.163 -5.267 3.507 1.00 51.22 O ATOM 772 CB SER A 47 -9.541 -7.913 4.670 1.00 52.24 C ATOM 773 OG SER A 47 -10.152 -9.087 4.175 1.00 24.24 O ATOM 0 H SER A 47 -9.369 -7.700 2.213 1.00 74.33 H new ATOM 0 HA SER A 47 -11.071 -6.477 4.228 1.00 21.31 H new ATOM 0 HB2 SER A 47 -8.458 -7.988 4.570 1.00 52.24 H new ATOM 0 HB3 SER A 47 -9.756 -7.803 5.733 1.00 52.24 H new ATOM 0 HG SER A 47 -9.817 -9.864 4.670 1.00 24.24 H new ATOM 779 N GLU A 48 -9.472 -4.720 5.240 1.00 3.44 N ATOM 780 CA GLU A 48 -8.725 -3.512 5.583 1.00 51.04 C ATOM 781 C GLU A 48 -7.250 -3.820 5.829 1.00 41.12 C ATOM 782 O GLU A 48 -6.369 -3.036 5.474 1.00 51.34 O ATOM 783 CB GLU A 48 -9.311 -2.871 6.838 1.00 55.04 C ATOM 784 CG GLU A 48 -10.732 -2.346 6.623 1.00 52.12 C ATOM 785 CD GLU A 48 -11.279 -1.603 7.844 1.00 41.01 C ATOM 786 OE1 GLU A 48 -10.479 -1.033 8.625 1.00 61.41 O ATOM 787 OE2 GLU A 48 -12.526 -1.589 8.014 1.00 60.11 O ATOM 0 H GLU A 48 -10.244 -4.923 5.875 1.00 3.44 H new ATOM 0 HA GLU A 48 -8.805 -2.826 4.739 1.00 51.04 H new ATOM 0 HB2 GLU A 48 -9.316 -3.602 7.646 1.00 55.04 H new ATOM 0 HB3 GLU A 48 -8.669 -2.050 7.156 1.00 55.04 H new ATOM 0 HG2 GLU A 48 -10.741 -1.678 5.762 1.00 52.12 H new ATOM 0 HG3 GLU A 48 -11.391 -3.181 6.386 1.00 52.12 H new ATOM 794 N VAL A 49 -6.978 -4.975 6.434 1.00 75.10 N ATOM 795 CA VAL A 49 -5.634 -5.406 6.763 1.00 31.33 C ATOM 796 C VAL A 49 -4.824 -5.648 5.488 1.00 40.20 C ATOM 797 O VAL A 49 -3.679 -5.211 5.407 1.00 4.45 O ATOM 798 CB VAL A 49 -5.709 -6.626 7.704 1.00 15.34 C ATOM 799 CG1 VAL A 49 -4.311 -7.151 8.038 1.00 4.34 C ATOM 800 CG2 VAL A 49 -6.425 -6.254 9.014 1.00 62.41 C ATOM 0 H VAL A 49 -7.699 -5.641 6.710 1.00 75.10 H new ATOM 0 HA VAL A 49 -5.099 -4.625 7.303 1.00 31.33 H new ATOM 0 HB VAL A 49 -6.269 -7.404 7.185 1.00 15.34 H new ATOM 0 HG11 VAL A 49 -4.394 -8.011 8.703 1.00 4.34 H new ATOM 0 HG12 VAL A 49 -3.806 -7.450 7.120 1.00 4.34 H new ATOM 0 HG13 VAL A 49 -3.736 -6.367 8.530 1.00 4.34 H new ATOM 0 HG21 VAL A 49 -6.469 -7.127 9.665 1.00 62.41 H new ATOM 0 HG22 VAL A 49 -5.877 -5.455 9.514 1.00 62.41 H new ATOM 0 HG23 VAL A 49 -7.437 -5.916 8.792 1.00 62.41 H new ATOM 810 N GLN A 50 -5.418 -6.265 4.466 1.00 72.13 N ATOM 811 CA GLN A 50 -4.766 -6.499 3.183 1.00 74.43 C ATOM 812 C GLN A 50 -4.269 -5.163 2.620 1.00 62.41 C ATOM 813 O GLN A 50 -3.129 -5.055 2.166 1.00 35.23 O ATOM 814 CB GLN A 50 -5.756 -7.166 2.211 1.00 32.43 C ATOM 815 CG GLN A 50 -6.366 -8.485 2.711 1.00 62.20 C ATOM 816 CD GLN A 50 -5.466 -9.682 2.452 1.00 62.40 C ATOM 817 OE1 GLN A 50 -4.546 -9.971 3.216 1.00 75.34 O ATOM 818 NE2 GLN A 50 -5.725 -10.421 1.392 1.00 3.33 N ATOM 0 H GLN A 50 -6.374 -6.618 4.509 1.00 72.13 H new ATOM 0 HA GLN A 50 -3.914 -7.165 3.315 1.00 74.43 H new ATOM 0 HB2 GLN A 50 -6.564 -6.465 2.001 1.00 32.43 H new ATOM 0 HB3 GLN A 50 -5.245 -7.354 1.267 1.00 32.43 H new ATOM 0 HG2 GLN A 50 -6.562 -8.408 3.780 1.00 62.20 H new ATOM 0 HG3 GLN A 50 -7.327 -8.645 2.221 1.00 62.20 H new ATOM 0 HE21 GLN A 50 -6.491 -10.168 0.769 1.00 3.33 H new ATOM 0 HE22 GLN A 50 -5.159 -11.246 1.195 1.00 3.33 H new ATOM 827 N VAL A 51 -5.110 -4.130 2.685 1.00 3.22 N ATOM 828 CA VAL A 51 -4.797 -2.815 2.153 1.00 3.33 C ATOM 829 C VAL A 51 -3.789 -2.079 3.054 1.00 63.50 C ATOM 830 O VAL A 51 -2.924 -1.375 2.529 1.00 41.04 O ATOM 831 CB VAL A 51 -6.112 -2.050 1.881 1.00 35.51 C ATOM 832 CG1 VAL A 51 -5.862 -0.768 1.084 1.00 35.51 C ATOM 833 CG2 VAL A 51 -7.080 -2.891 1.032 1.00 4.01 C ATOM 0 H VAL A 51 -6.034 -4.189 3.113 1.00 3.22 H new ATOM 0 HA VAL A 51 -4.288 -2.899 1.193 1.00 3.33 H new ATOM 0 HB VAL A 51 -6.533 -1.827 2.862 1.00 35.51 H new ATOM 0 HG11 VAL A 51 -6.809 -0.256 0.911 1.00 35.51 H new ATOM 0 HG12 VAL A 51 -5.194 -0.115 1.645 1.00 35.51 H new ATOM 0 HG13 VAL A 51 -5.405 -1.018 0.127 1.00 35.51 H new ATOM 0 HG21 VAL A 51 -7.996 -2.326 0.857 1.00 4.01 H new ATOM 0 HG22 VAL A 51 -6.613 -3.129 0.076 1.00 4.01 H new ATOM 0 HG23 VAL A 51 -7.318 -3.815 1.560 1.00 4.01 H new ATOM 843 N LYS A 52 -3.805 -2.230 4.387 1.00 71.34 N ATOM 844 CA LYS A 52 -2.778 -1.605 5.233 1.00 23.23 C ATOM 845 C LYS A 52 -1.405 -2.249 5.030 1.00 0.13 C ATOM 846 O LYS A 52 -0.395 -1.595 5.316 1.00 15.04 O ATOM 847 CB LYS A 52 -3.226 -1.572 6.705 1.00 33.33 C ATOM 848 CG LYS A 52 -2.753 -2.700 7.619 1.00 22.42 C ATOM 849 CD LYS A 52 -3.637 -2.762 8.884 1.00 52.14 C ATOM 850 CE LYS A 52 -2.771 -2.794 10.128 1.00 14.32 C ATOM 851 NZ LYS A 52 -3.576 -2.676 11.365 1.00 21.24 N ATOM 0 H LYS A 52 -4.505 -2.770 4.895 1.00 71.34 H new ATOM 0 HA LYS A 52 -2.662 -0.567 4.921 1.00 23.23 H new ATOM 0 HB2 LYS A 52 -2.890 -0.629 7.136 1.00 33.33 H new ATOM 0 HB3 LYS A 52 -4.316 -1.561 6.723 1.00 33.33 H new ATOM 0 HG2 LYS A 52 -2.796 -3.651 7.088 1.00 22.42 H new ATOM 0 HG3 LYS A 52 -1.712 -2.539 7.900 1.00 22.42 H new ATOM 0 HD2 LYS A 52 -4.300 -1.897 8.916 1.00 52.14 H new ATOM 0 HD3 LYS A 52 -4.271 -3.648 8.850 1.00 52.14 H new ATOM 0 HE2 LYS A 52 -2.204 -3.725 10.152 1.00 14.32 H new ATOM 0 HE3 LYS A 52 -2.047 -1.980 10.087 1.00 14.32 H new ATOM 0 HZ1 LYS A 52 -2.947 -2.702 12.193 1.00 21.24 H new ATOM 0 HZ2 LYS A 52 -4.098 -1.776 11.355 1.00 21.24 H new ATOM 0 HZ3 LYS A 52 -4.250 -3.467 11.417 1.00 21.24 H new ATOM 865 N ILE A 53 -1.356 -3.497 4.561 1.00 4.01 N ATOM 866 CA ILE A 53 -0.124 -4.185 4.195 1.00 73.32 C ATOM 867 C ILE A 53 0.321 -3.763 2.790 1.00 23.14 C ATOM 868 O ILE A 53 1.530 -3.717 2.556 1.00 13.11 O ATOM 869 CB ILE A 53 -0.320 -5.721 4.297 1.00 64.43 C ATOM 870 CG1 ILE A 53 -0.609 -6.165 5.751 1.00 42.35 C ATOM 871 CG2 ILE A 53 0.905 -6.512 3.787 1.00 62.51 C ATOM 872 CD1 ILE A 53 -1.275 -7.547 5.834 1.00 42.35 C ATOM 0 H ILE A 53 -2.191 -4.067 4.423 1.00 4.01 H new ATOM 0 HA ILE A 53 0.666 -3.904 4.891 1.00 73.32 H new ATOM 0 HB ILE A 53 -1.177 -5.944 3.661 1.00 64.43 H new ATOM 0 HG12 ILE A 53 0.325 -6.183 6.312 1.00 42.35 H new ATOM 0 HG13 ILE A 53 -1.254 -5.428 6.229 1.00 42.35 H new ATOM 0 HG21 ILE A 53 0.713 -7.581 3.882 1.00 62.51 H new ATOM 0 HG22 ILE A 53 1.086 -6.267 2.740 1.00 62.51 H new ATOM 0 HG23 ILE A 53 1.781 -6.247 4.379 1.00 62.51 H new ATOM 0 HD11 ILE A 53 -1.453 -7.803 6.878 1.00 42.35 H new ATOM 0 HD12 ILE A 53 -2.224 -7.526 5.299 1.00 42.35 H new ATOM 0 HD13 ILE A 53 -0.621 -8.294 5.383 1.00 42.35 H new ATOM 884 N TRP A 54 -0.586 -3.441 1.862 1.00 72.20 N ATOM 885 CA TRP A 54 -0.176 -3.041 0.518 1.00 2.15 C ATOM 886 C TRP A 54 0.618 -1.740 0.568 1.00 3.21 C ATOM 887 O TRP A 54 1.771 -1.707 0.144 1.00 43.31 O ATOM 888 CB TRP A 54 -1.375 -2.899 -0.431 1.00 72.23 C ATOM 889 CG TRP A 54 -0.939 -2.774 -1.858 1.00 43.13 C ATOM 890 CD1 TRP A 54 -0.749 -3.836 -2.672 1.00 13.24 C ATOM 891 CD2 TRP A 54 -0.565 -1.590 -2.649 1.00 60.54 C ATOM 892 NE1 TRP A 54 -0.226 -3.411 -3.868 1.00 15.43 N ATOM 893 CE2 TRP A 54 -0.067 -2.046 -3.907 1.00 52.40 C ATOM 894 CE3 TRP A 54 -0.620 -0.184 -2.475 1.00 41.10 C ATOM 895 CZ2 TRP A 54 0.439 -1.181 -4.886 1.00 75.30 C ATOM 896 CZ3 TRP A 54 -0.190 0.701 -3.490 1.00 42.42 C ATOM 897 CH2 TRP A 54 0.367 0.204 -4.680 1.00 0.32 C ATOM 0 H TRP A 54 -1.594 -3.450 2.016 1.00 72.20 H new ATOM 0 HA TRP A 54 0.461 -3.833 0.124 1.00 2.15 H new ATOM 0 HB2 TRP A 54 -2.028 -3.765 -0.324 1.00 72.23 H new ATOM 0 HB3 TRP A 54 -1.959 -2.023 -0.151 1.00 72.23 H new ATOM 0 HD1 TRP A 54 -0.974 -4.862 -2.420 1.00 13.24 H new ATOM 0 HE1 TRP A 54 0.016 -4.035 -4.638 1.00 15.43 H new ATOM 0 HE3 TRP A 54 -0.998 0.219 -1.547 1.00 41.10 H new ATOM 0 HZ2 TRP A 54 0.880 -1.577 -5.789 1.00 75.30 H new ATOM 0 HZ3 TRP A 54 -0.290 1.767 -3.350 1.00 42.42 H new ATOM 0 HH2 TRP A 54 0.738 0.885 -5.432 1.00 0.32 H new ATOM 908 N PHE A 55 0.017 -0.691 1.142 1.00 64.24 N ATOM 909 CA PHE A 55 0.580 0.661 1.169 1.00 60.44 C ATOM 910 C PHE A 55 2.000 0.607 1.749 1.00 21.11 C ATOM 911 O PHE A 55 2.946 1.073 1.114 1.00 20.24 O ATOM 912 CB PHE A 55 -0.365 1.613 1.938 1.00 42.40 C ATOM 913 CG PHE A 55 -1.556 2.158 1.148 1.00 41.23 C ATOM 914 CD1 PHE A 55 -2.564 1.268 0.733 1.00 22.25 C ATOM 915 CD2 PHE A 55 -1.715 3.544 0.882 1.00 21.21 C ATOM 916 CE1 PHE A 55 -3.760 1.756 0.199 1.00 32.33 C ATOM 917 CE2 PHE A 55 -2.909 4.027 0.294 1.00 75.34 C ATOM 918 CZ PHE A 55 -3.949 3.123 0.033 1.00 3.01 C ATOM 0 H PHE A 55 -0.888 -0.760 1.607 1.00 64.24 H new ATOM 0 HA PHE A 55 0.663 1.064 0.160 1.00 60.44 H new ATOM 0 HB2 PHE A 55 -0.745 1.086 2.813 1.00 42.40 H new ATOM 0 HB3 PHE A 55 0.220 2.457 2.303 1.00 42.40 H new ATOM 0 HD1 PHE A 55 -2.413 0.203 0.828 1.00 22.25 H new ATOM 0 HD2 PHE A 55 -0.921 4.233 1.130 1.00 21.21 H new ATOM 0 HE1 PHE A 55 -4.541 1.067 -0.086 1.00 32.33 H new ATOM 0 HE2 PHE A 55 -3.017 5.074 0.051 1.00 75.34 H new ATOM 0 HZ PHE A 55 -4.907 3.493 -0.301 1.00 3.01 H new ATOM 928 N GLN A 56 2.180 -0.032 2.912 1.00 24.24 N ATOM 929 CA GLN A 56 3.496 -0.169 3.537 1.00 72.05 C ATOM 930 C GLN A 56 4.519 -0.873 2.634 1.00 12.42 C ATOM 931 O GLN A 56 5.697 -0.505 2.623 1.00 20.13 O ATOM 932 CB GLN A 56 3.394 -0.881 4.893 1.00 2.51 C ATOM 933 CG GLN A 56 2.918 -2.316 4.828 1.00 12.41 C ATOM 934 CD GLN A 56 2.871 -3.007 6.179 1.00 72.22 C ATOM 935 OE1 GLN A 56 3.776 -3.746 6.552 1.00 74.42 O ATOM 936 NE2 GLN A 56 1.796 -2.851 6.924 1.00 51.14 N ATOM 0 H GLN A 56 1.422 -0.464 3.440 1.00 24.24 H new ATOM 0 HA GLN A 56 3.862 0.845 3.698 1.00 72.05 H new ATOM 0 HB2 GLN A 56 4.373 -0.860 5.372 1.00 2.51 H new ATOM 0 HB3 GLN A 56 2.714 -0.317 5.532 1.00 2.51 H new ATOM 0 HG2 GLN A 56 1.923 -2.339 4.383 1.00 12.41 H new ATOM 0 HG3 GLN A 56 3.576 -2.878 4.165 1.00 12.41 H new ATOM 0 HE21 GLN A 56 1.044 -2.236 6.612 1.00 51.14 H new ATOM 0 HE22 GLN A 56 1.715 -3.345 7.813 1.00 51.14 H new ATOM 945 N ASN A 57 4.092 -1.904 1.903 1.00 20.23 N ATOM 946 CA ASN A 57 4.982 -2.732 1.103 1.00 20.23 C ATOM 947 C ASN A 57 5.428 -2.002 -0.144 1.00 1.34 C ATOM 948 O ASN A 57 6.519 -2.286 -0.642 1.00 4.32 O ATOM 949 CB ASN A 57 4.290 -4.049 0.718 1.00 60.04 C ATOM 950 CG ASN A 57 4.701 -5.137 1.687 1.00 21.11 C ATOM 951 OD1 ASN A 57 5.678 -5.834 1.427 1.00 31.23 O ATOM 952 ND2 ASN A 57 4.032 -5.254 2.823 1.00 15.14 N ATOM 0 H ASN A 57 3.113 -2.186 1.852 1.00 20.23 H new ATOM 0 HA ASN A 57 5.862 -2.955 1.706 1.00 20.23 H new ATOM 0 HB2 ASN A 57 3.208 -3.922 0.735 1.00 60.04 H new ATOM 0 HB3 ASN A 57 4.562 -4.331 -0.299 1.00 60.04 H new ATOM 0 HD21 ASN A 57 4.324 -5.941 3.518 1.00 15.14 H new ATOM 0 HD22 ASN A 57 3.225 -4.657 3.003 1.00 15.14 H new ATOM 959 N GLU A 58 4.603 -1.079 -0.627 1.00 53.24 N ATOM 960 CA GLU A 58 4.937 -0.280 -1.791 1.00 51.25 C ATOM 961 C GLU A 58 5.867 0.853 -1.350 1.00 33.03 C ATOM 962 O GLU A 58 6.832 1.132 -2.049 1.00 51.42 O ATOM 963 CB GLU A 58 3.659 0.231 -2.479 1.00 64.13 C ATOM 964 CG GLU A 58 3.909 0.863 -3.864 1.00 31.33 C ATOM 965 CD GLU A 58 4.324 -0.127 -4.964 1.00 64.22 C ATOM 966 OE1 GLU A 58 3.828 -1.274 -5.019 1.00 41.42 O ATOM 967 OE2 GLU A 58 5.125 0.224 -5.861 1.00 61.35 O ATOM 0 H GLU A 58 3.691 -0.868 -0.223 1.00 53.24 H new ATOM 0 HA GLU A 58 5.460 -0.882 -2.534 1.00 51.25 H new ATOM 0 HB2 GLU A 58 2.960 -0.598 -2.589 1.00 64.13 H new ATOM 0 HB3 GLU A 58 3.180 0.968 -1.834 1.00 64.13 H new ATOM 0 HG2 GLU A 58 3.001 1.376 -4.182 1.00 31.33 H new ATOM 0 HG3 GLU A 58 4.686 1.621 -3.766 1.00 31.33 H new ATOM 974 N ARG A 59 5.692 1.451 -0.159 1.00 2.44 N ATOM 975 CA ARG A 59 6.573 2.513 0.321 1.00 32.34 C ATOM 976 C ARG A 59 8.029 2.063 0.302 1.00 12.20 C ATOM 977 O ARG A 59 8.879 2.775 -0.210 1.00 63.02 O ATOM 978 CB ARG A 59 6.152 2.974 1.721 1.00 35.23 C ATOM 979 CG ARG A 59 4.870 3.822 1.763 1.00 42.33 C ATOM 980 CD ARG A 59 4.769 4.560 3.101 1.00 2.23 C ATOM 981 NE ARG A 59 3.376 4.872 3.467 1.00 40.30 N ATOM 982 CZ ARG A 59 2.742 4.488 4.580 1.00 34.44 C ATOM 983 NH1 ARG A 59 3.295 3.634 5.435 1.00 11.14 N ATOM 984 NH2 ARG A 59 1.535 4.951 4.865 1.00 35.33 N ATOM 0 H ARG A 59 4.941 1.210 0.488 1.00 2.44 H new ATOM 0 HA ARG A 59 6.481 3.364 -0.354 1.00 32.34 H new ATOM 0 HB2 ARG A 59 6.010 2.095 2.350 1.00 35.23 H new ATOM 0 HB3 ARG A 59 6.967 3.551 2.158 1.00 35.23 H new ATOM 0 HG2 ARG A 59 4.873 4.540 0.943 1.00 42.33 H new ATOM 0 HG3 ARG A 59 3.998 3.183 1.625 1.00 42.33 H new ATOM 0 HD2 ARG A 59 5.220 3.950 3.884 1.00 2.23 H new ATOM 0 HD3 ARG A 59 5.343 5.485 3.047 1.00 2.23 H new ATOM 0 HE ARG A 59 2.843 5.437 2.806 1.00 40.30 H new ATOM 0 HH11 ARG A 59 4.224 3.256 5.249 1.00 11.14 H new ATOM 0 HH12 ARG A 59 2.791 3.357 6.277 1.00 11.14 H new ATOM 0 HH21 ARG A 59 1.078 5.608 4.232 1.00 35.33 H new ATOM 0 HH22 ARG A 59 1.062 4.651 5.717 1.00 35.33 H new ATOM 998 N ALA A 60 8.324 0.875 0.817 1.00 41.34 N ATOM 999 CA ALA A 60 9.672 0.331 0.922 1.00 73.15 C ATOM 1000 C ALA A 60 10.208 -0.226 -0.399 1.00 11.11 C ATOM 1001 O ALA A 60 11.372 -0.630 -0.437 1.00 35.24 O ATOM 1002 CB ALA A 60 9.707 -0.754 1.999 1.00 74.12 C ATOM 0 H ALA A 60 7.610 0.245 1.184 1.00 41.34 H new ATOM 0 HA ALA A 60 10.325 1.160 1.195 1.00 73.15 H new ATOM 0 HB1 ALA A 60 10.716 -1.159 2.075 1.00 74.12 H new ATOM 0 HB2 ALA A 60 9.415 -0.325 2.957 1.00 74.12 H new ATOM 0 HB3 ALA A 60 9.015 -1.553 1.733 1.00 74.12 H new ATOM 1008 N LYS A 61 9.409 -0.280 -1.469 1.00 41.25 N ATOM 1009 CA LYS A 61 9.935 -0.551 -2.807 1.00 55.53 C ATOM 1010 C LYS A 61 10.103 0.746 -3.581 1.00 2.52 C ATOM 1011 O LYS A 61 11.162 0.944 -4.174 1.00 4.34 O ATOM 1012 CB LYS A 61 9.125 -1.651 -3.508 1.00 51.13 C ATOM 1013 CG LYS A 61 7.884 -1.235 -4.297 1.00 14.52 C ATOM 1014 CD LYS A 61 7.149 -2.489 -4.806 1.00 51.33 C ATOM 1015 CE LYS A 61 7.156 -2.530 -6.333 1.00 62.13 C ATOM 1016 NZ LYS A 61 5.807 -2.392 -6.898 1.00 32.13 N ATOM 0 H LYS A 61 8.399 -0.140 -1.433 1.00 41.25 H new ATOM 0 HA LYS A 61 10.940 -0.968 -2.741 1.00 55.53 H new ATOM 0 HB2 LYS A 61 9.794 -2.175 -4.190 1.00 51.13 H new ATOM 0 HB3 LYS A 61 8.814 -2.371 -2.751 1.00 51.13 H new ATOM 0 HG2 LYS A 61 7.221 -0.644 -3.665 1.00 14.52 H new ATOM 0 HG3 LYS A 61 8.170 -0.603 -5.138 1.00 14.52 H new ATOM 0 HD2 LYS A 61 7.628 -3.384 -4.410 1.00 51.33 H new ATOM 0 HD3 LYS A 61 6.122 -2.489 -4.441 1.00 51.33 H new ATOM 0 HE2 LYS A 61 7.791 -1.730 -6.713 1.00 62.13 H new ATOM 0 HE3 LYS A 61 7.594 -3.471 -6.668 1.00 62.13 H new ATOM 0 HZ1 LYS A 61 5.552 -3.264 -7.405 1.00 32.13 H new ATOM 0 HZ2 LYS A 61 5.125 -2.225 -6.131 1.00 32.13 H new ATOM 0 HZ3 LYS A 61 5.788 -1.589 -7.559 1.00 32.13 H new ATOM 1030 N TRP A 62 9.145 1.672 -3.491 1.00 15.50 N ATOM 1031 CA TRP A 62 9.297 2.989 -4.079 1.00 24.20 C ATOM 1032 C TRP A 62 10.488 3.704 -3.445 1.00 32.21 C ATOM 1033 O TRP A 62 11.260 4.317 -4.175 1.00 20.23 O ATOM 1034 CB TRP A 62 8.013 3.832 -3.993 1.00 31.34 C ATOM 1035 CG TRP A 62 7.971 4.950 -4.997 1.00 31.03 C ATOM 1036 CD1 TRP A 62 7.245 4.959 -6.138 1.00 41.52 C ATOM 1037 CD2 TRP A 62 8.758 6.179 -5.033 1.00 63.44 C ATOM 1038 NE1 TRP A 62 7.596 6.052 -6.907 1.00 55.54 N ATOM 1039 CE2 TRP A 62 8.596 6.789 -6.309 1.00 12.41 C ATOM 1040 CE3 TRP A 62 9.637 6.813 -4.134 1.00 33.40 C ATOM 1041 CZ2 TRP A 62 9.372 7.885 -6.715 1.00 72.05 C ATOM 1042 CZ3 TRP A 62 10.425 7.910 -4.529 1.00 0.54 C ATOM 1043 CH2 TRP A 62 10.322 8.423 -5.833 1.00 63.41 C ATOM 0 H TRP A 62 8.256 1.525 -3.013 1.00 15.50 H new ATOM 0 HA TRP A 62 9.491 2.858 -5.144 1.00 24.20 H new ATOM 0 HB2 TRP A 62 7.150 3.184 -4.144 1.00 31.34 H new ATOM 0 HB3 TRP A 62 7.927 4.250 -2.990 1.00 31.34 H new ATOM 0 HD1 TRP A 62 6.502 4.223 -6.408 1.00 41.52 H new ATOM 0 HE1 TRP A 62 7.169 6.284 -7.804 1.00 55.54 H new ATOM 0 HE3 TRP A 62 9.708 6.450 -3.119 1.00 33.40 H new ATOM 0 HZ2 TRP A 62 9.239 8.311 -7.698 1.00 72.05 H new ATOM 0 HZ3 TRP A 62 11.112 8.359 -3.827 1.00 0.54 H new ATOM 0 HH2 TRP A 62 10.969 9.226 -6.154 1.00 63.41 H new ATOM 1054 N LYS A 63 10.720 3.582 -2.123 1.00 14.51 N ATOM 1055 CA LYS A 63 11.859 4.279 -1.503 1.00 41.22 C ATOM 1056 C LYS A 63 13.201 3.925 -2.158 1.00 11.21 C ATOM 1057 O LYS A 63 14.126 4.729 -2.056 1.00 2.33 O ATOM 1058 CB LYS A 63 11.920 4.072 0.030 1.00 40.44 C ATOM 1059 CG LYS A 63 10.964 5.002 0.811 1.00 64.15 C ATOM 1060 CD LYS A 63 11.541 5.633 2.091 1.00 55.14 C ATOM 1061 CE LYS A 63 12.633 6.661 1.769 1.00 32.40 C ATOM 1062 NZ LYS A 63 12.928 7.581 2.885 1.00 24.14 N ATOM 0 H LYS A 63 10.153 3.026 -1.483 1.00 14.51 H new ATOM 0 HA LYS A 63 11.682 5.339 -1.683 1.00 41.22 H new ATOM 0 HB2 LYS A 63 11.675 3.035 0.260 1.00 40.44 H new ATOM 0 HB3 LYS A 63 12.941 4.242 0.372 1.00 40.44 H new ATOM 0 HG2 LYS A 63 10.644 5.804 0.146 1.00 64.15 H new ATOM 0 HG3 LYS A 63 10.073 4.434 1.078 1.00 64.15 H new ATOM 0 HD2 LYS A 63 10.741 6.115 2.653 1.00 55.14 H new ATOM 0 HD3 LYS A 63 11.953 4.851 2.729 1.00 55.14 H new ATOM 0 HE2 LYS A 63 13.546 6.134 1.493 1.00 32.40 H new ATOM 0 HE3 LYS A 63 12.327 7.244 0.900 1.00 32.40 H new ATOM 0 HZ1 LYS A 63 13.673 8.247 2.598 1.00 24.14 H new ATOM 0 HZ2 LYS A 63 12.068 8.110 3.135 1.00 24.14 H new ATOM 0 HZ3 LYS A 63 13.250 7.035 3.709 1.00 24.14 H new ATOM 1076 N ARG A 64 13.334 2.790 -2.851 1.00 24.32 N ATOM 1077 CA ARG A 64 14.584 2.415 -3.510 1.00 22.03 C ATOM 1078 C ARG A 64 14.825 3.154 -4.830 1.00 24.04 C ATOM 1079 O ARG A 64 15.947 3.098 -5.330 1.00 0.52 O ATOM 1080 CB ARG A 64 14.636 0.890 -3.695 1.00 64.42 C ATOM 1081 CG ARG A 64 14.488 0.157 -2.351 1.00 15.32 C ATOM 1082 CD ARG A 64 15.030 -1.270 -2.417 1.00 11.54 C ATOM 1083 NE ARG A 64 15.009 -1.905 -1.088 1.00 0.42 N ATOM 1084 CZ ARG A 64 15.925 -2.743 -0.587 1.00 32.10 C ATOM 1085 NH1 ARG A 64 16.937 -3.177 -1.323 1.00 1.53 N ATOM 1086 NH2 ARG A 64 15.818 -3.128 0.676 1.00 55.23 N ATOM 0 H ARG A 64 12.582 2.111 -2.969 1.00 24.32 H new ATOM 0 HA ARG A 64 15.400 2.726 -2.857 1.00 22.03 H new ATOM 0 HB2 ARG A 64 13.841 0.577 -4.372 1.00 64.42 H new ATOM 0 HB3 ARG A 64 15.581 0.610 -4.162 1.00 64.42 H new ATOM 0 HG2 ARG A 64 15.017 0.711 -1.575 1.00 15.32 H new ATOM 0 HG3 ARG A 64 13.437 0.133 -2.065 1.00 15.32 H new ATOM 0 HD2 ARG A 64 14.433 -1.858 -3.114 1.00 11.54 H new ATOM 0 HD3 ARG A 64 16.050 -1.258 -2.802 1.00 11.54 H new ATOM 0 HE ARG A 64 14.215 -1.683 -0.488 1.00 0.42 H new ATOM 0 HH11 ARG A 64 17.030 -2.873 -2.292 1.00 1.53 H new ATOM 0 HH12 ARG A 64 17.623 -3.815 -0.921 1.00 1.53 H new ATOM 0 HH21 ARG A 64 15.047 -2.786 1.250 1.00 55.23 H new ATOM 0 HH22 ARG A 64 16.507 -3.766 1.075 1.00 55.23 H new ATOM 1100 N ILE A 65 13.829 3.864 -5.360 1.00 32.03 N ATOM 1101 CA ILE A 65 13.880 4.592 -6.634 1.00 0.53 C ATOM 1102 C ILE A 65 14.499 5.980 -6.447 1.00 40.44 C ATOM 1103 O ILE A 65 14.904 6.612 -7.421 1.00 0.21 O ATOM 1104 CB ILE A 65 12.450 4.723 -7.226 1.00 23.22 C ATOM 1105 CG1 ILE A 65 11.794 3.332 -7.364 1.00 42.14 C ATOM 1106 CG2 ILE A 65 12.453 5.468 -8.577 1.00 32.10 C ATOM 1107 CD1 ILE A 65 10.315 3.392 -7.739 1.00 1.22 C ATOM 0 H ILE A 65 12.925 3.953 -4.896 1.00 32.03 H new ATOM 0 HA ILE A 65 14.507 4.029 -7.326 1.00 0.53 H new ATOM 0 HB ILE A 65 11.858 5.320 -6.532 1.00 23.22 H new ATOM 0 HG12 ILE A 65 12.330 2.760 -8.121 1.00 42.14 H new ATOM 0 HG13 ILE A 65 11.901 2.793 -6.422 1.00 42.14 H new ATOM 0 HG21 ILE A 65 11.434 5.538 -8.956 1.00 32.10 H new ATOM 0 HG22 ILE A 65 12.858 6.470 -8.439 1.00 32.10 H new ATOM 0 HG23 ILE A 65 13.069 4.923 -9.292 1.00 32.10 H new ATOM 0 HD11 ILE A 65 9.919 2.380 -7.819 1.00 1.22 H new ATOM 0 HD12 ILE A 65 9.767 3.937 -6.971 1.00 1.22 H new ATOM 0 HD13 ILE A 65 10.203 3.902 -8.696 1.00 1.22 H new ATOM 1119 N LYS A 66 14.523 6.496 -5.214 1.00 13.50 N ATOM 1120 CA LYS A 66 14.994 7.845 -4.916 1.00 72.44 C ATOM 1121 C LYS A 66 16.511 7.890 -5.088 1.00 0.40 C ATOM 1122 O LYS A 66 17.273 7.792 -4.120 1.00 15.51 O ATOM 1123 CB LYS A 66 14.476 8.303 -3.546 1.00 2.20 C ATOM 1124 CG LYS A 66 14.161 9.809 -3.472 1.00 72.21 C ATOM 1125 CD LYS A 66 15.369 10.721 -3.217 1.00 60.34 C ATOM 1126 CE LYS A 66 15.835 10.637 -1.757 1.00 15.13 C ATOM 1127 NZ LYS A 66 16.973 11.541 -1.491 1.00 31.14 N ATOM 0 H LYS A 66 14.212 5.981 -4.390 1.00 13.50 H new ATOM 0 HA LYS A 66 14.588 8.573 -5.619 1.00 72.44 H new ATOM 0 HB2 LYS A 66 13.575 7.740 -3.302 1.00 2.20 H new ATOM 0 HB3 LYS A 66 15.219 8.059 -2.787 1.00 2.20 H new ATOM 0 HG2 LYS A 66 13.690 10.111 -4.407 1.00 72.21 H new ATOM 0 HG3 LYS A 66 13.430 9.972 -2.680 1.00 72.21 H new ATOM 0 HD2 LYS A 66 16.187 10.437 -3.879 1.00 60.34 H new ATOM 0 HD3 LYS A 66 15.107 11.751 -3.458 1.00 60.34 H new ATOM 0 HE2 LYS A 66 15.007 10.891 -1.096 1.00 15.13 H new ATOM 0 HE3 LYS A 66 16.124 9.612 -1.526 1.00 15.13 H new ATOM 0 HZ1 LYS A 66 17.259 11.456 -0.495 1.00 31.14 H new ATOM 0 HZ2 LYS A 66 17.772 11.282 -2.104 1.00 31.14 H new ATOM 0 HZ3 LYS A 66 16.690 12.522 -1.687 1.00 31.14 H new ATOM 1141 N ALA A 67 16.929 8.047 -6.337 1.00 44.55 N ATOM 1142 CA ALA A 67 18.310 8.105 -6.762 1.00 60.24 C ATOM 1143 C ALA A 67 19.023 9.228 -6.009 1.00 3.24 C ATOM 1144 O ALA A 67 20.101 9.044 -5.446 1.00 12.24 O ATOM 1145 CB ALA A 67 18.353 8.314 -8.278 1.00 52.33 C ATOM 0 H ALA A 67 16.277 8.141 -7.115 1.00 44.55 H new ATOM 0 HA ALA A 67 18.827 7.173 -6.533 1.00 60.24 H new ATOM 0 HB1 ALA A 67 19.390 8.359 -8.610 1.00 52.33 H new ATOM 0 HB2 ALA A 67 17.849 7.484 -8.774 1.00 52.33 H new ATOM 0 HB3 ALA A 67 17.850 9.247 -8.531 1.00 52.33 H new ATOM 1151 N GLY A 68 18.356 10.379 -5.941 1.00 3.21 N ATOM 1152 CA GLY A 68 18.789 11.594 -5.273 1.00 64.32 C ATOM 1153 C GLY A 68 19.025 12.724 -6.269 1.00 23.34 C ATOM 1154 O GLY A 68 18.821 13.883 -5.910 1.00 12.31 O ATOM 0 H GLY A 68 17.442 10.489 -6.380 1.00 3.21 H new ATOM 0 HA2 GLY A 68 18.036 11.899 -4.546 1.00 64.32 H new ATOM 0 HA3 GLY A 68 19.707 11.399 -4.718 1.00 64.32 H new ATOM 1158 N ASN A 69 19.349 12.380 -7.519 1.00 64.34 N ATOM 1159 CA ASN A 69 19.640 13.247 -8.663 1.00 11.40 C ATOM 1160 C ASN A 69 21.021 13.907 -8.588 1.00 64.01 C ATOM 1161 O ASN A 69 21.278 14.880 -9.297 1.00 42.35 O ATOM 1162 CB ASN A 69 18.528 14.272 -8.937 1.00 13.31 C ATOM 1163 CG ASN A 69 18.212 14.340 -10.423 1.00 12.31 C ATOM 1164 OD1 ASN A 69 17.107 13.973 -10.804 1.00 3.53 O ATOM 1165 ND2 ASN A 69 19.121 14.756 -11.282 1.00 1.14 N ATOM 0 H ASN A 69 19.421 11.396 -7.779 1.00 64.34 H new ATOM 0 HA ASN A 69 19.668 12.579 -9.524 1.00 11.40 H new ATOM 0 HB2 ASN A 69 17.631 13.999 -8.382 1.00 13.31 H new ATOM 0 HB3 ASN A 69 18.837 15.255 -8.581 1.00 13.31 H new ATOM 0 HD21 ASN A 69 18.909 14.776 -12.280 1.00 1.14 H new ATOM 0 HD22 ASN A 69 20.037 15.058 -10.949 1.00 1.14 H new ATOM 1172 N VAL A 70 21.933 13.361 -7.786 1.00 41.35 N ATOM 1173 CA VAL A 70 23.358 13.704 -7.842 1.00 53.51 C ATOM 1174 C VAL A 70 24.033 13.076 -9.086 1.00 33.23 C ATOM 1175 O VAL A 70 25.243 13.205 -9.247 1.00 44.54 O ATOM 1176 CB VAL A 70 24.006 13.326 -6.485 1.00 74.14 C ATOM 1177 CG1 VAL A 70 24.359 11.839 -6.357 1.00 64.33 C ATOM 1178 CG2 VAL A 70 25.233 14.183 -6.152 1.00 2.30 C ATOM 0 H VAL A 70 21.706 12.665 -7.075 1.00 41.35 H new ATOM 0 HA VAL A 70 23.501 14.776 -7.975 1.00 53.51 H new ATOM 0 HB VAL A 70 23.226 13.538 -5.754 1.00 74.14 H new ATOM 0 HG11 VAL A 70 24.808 11.654 -5.381 1.00 64.33 H new ATOM 0 HG12 VAL A 70 23.454 11.240 -6.460 1.00 64.33 H new ATOM 0 HG13 VAL A 70 25.067 11.564 -7.139 1.00 64.33 H new ATOM 0 HG21 VAL A 70 25.644 13.873 -5.191 1.00 2.30 H new ATOM 0 HG22 VAL A 70 25.988 14.055 -6.928 1.00 2.30 H new ATOM 0 HG23 VAL A 70 24.941 15.232 -6.100 1.00 2.30 H new ATOM 1188 N SER A 71 23.257 12.405 -9.956 1.00 71.42 N ATOM 1189 CA SER A 71 23.708 11.329 -10.829 1.00 41.31 C ATOM 1190 C SER A 71 24.377 10.246 -9.993 1.00 52.22 C ATOM 1191 O SER A 71 25.301 9.572 -10.486 1.00 13.22 O ATOM 1192 CB SER A 71 24.544 11.871 -11.996 1.00 1.34 C ATOM 1193 OG SER A 71 23.727 12.653 -12.858 1.00 53.15 O ATOM 0 H SER A 71 22.264 12.612 -10.067 1.00 71.42 H new ATOM 0 HA SER A 71 22.859 10.850 -11.317 1.00 41.31 H new ATOM 0 HB2 SER A 71 25.367 12.475 -11.615 1.00 1.34 H new ATOM 0 HB3 SER A 71 24.986 11.044 -12.552 1.00 1.34 H new ATOM 0 HG SER A 71 24.268 12.997 -13.599 1.00 53.15 H new TER 1199 SER A 71