USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 15 THR OG1 : rot 180:sc=0.000688 USER MOD Single : A 16 SER OG : rot -83:sc= 0.155 USER MOD Single : A 18 GLN : amide:sc= 1.13 K(o=1.1,f=-3.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) 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 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000348) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.0021) USER MOD Single : A 57 ASN : amide:sc= -0.0501 X(o=-0.05,f=-0.39) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.22) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.638 -19.926 -16.629 1.00 72.03 N ATOM 2 CA SER A 1 -1.007 -19.229 -17.861 1.00 32.12 C ATOM 3 C SER A 1 -1.086 -17.735 -17.560 1.00 44.11 C ATOM 4 O SER A 1 -2.026 -17.285 -16.901 1.00 61.42 O ATOM 5 CB SER A 1 -2.303 -19.809 -18.436 1.00 30.45 C ATOM 6 OG SER A 1 -2.238 -19.796 -19.851 1.00 31.04 O ATOM 0 H1 SER A 1 -0.579 -20.948 -16.813 1.00 72.03 H new ATOM 0 H2 SER A 1 0.285 -19.580 -16.297 1.00 72.03 H new ATOM 0 H3 SER A 1 -1.358 -19.747 -15.900 1.00 72.03 H new ATOM 0 HA SER A 1 -0.254 -19.374 -18.636 1.00 32.12 H new ATOM 0 HB2 SER A 1 -2.449 -20.828 -18.077 1.00 30.45 H new ATOM 0 HB3 SER A 1 -3.158 -19.225 -18.095 1.00 30.45 H new ATOM 0 HG SER A 1 -3.066 -20.168 -20.220 1.00 31.04 H new ATOM 11 N ALA A 2 -0.060 -16.975 -17.947 1.00 52.13 N ATOM 12 CA ALA A 2 0.120 -15.574 -17.590 1.00 24.05 C ATOM 13 C ALA A 2 1.008 -14.902 -18.651 1.00 4.05 C ATOM 14 O ALA A 2 1.696 -15.610 -19.392 1.00 23.12 O ATOM 15 CB ALA A 2 0.777 -15.530 -16.199 1.00 70.40 C ATOM 0 H ALA A 2 0.691 -17.333 -18.537 1.00 52.13 H new ATOM 0 HA ALA A 2 -0.829 -15.039 -17.557 1.00 24.05 H new ATOM 0 HB1 ALA A 2 0.927 -14.493 -15.900 1.00 70.40 H new ATOM 0 HB2 ALA A 2 0.131 -16.027 -15.475 1.00 70.40 H new ATOM 0 HB3 ALA A 2 1.740 -16.040 -16.235 1.00 70.40 H new ATOM 21 N PRO A 3 1.030 -13.561 -18.733 1.00 54.42 N ATOM 22 CA PRO A 3 1.882 -12.852 -19.679 1.00 23.23 C ATOM 23 C PRO A 3 3.355 -13.054 -19.321 1.00 64.10 C ATOM 24 O PRO A 3 3.730 -13.127 -18.146 1.00 43.31 O ATOM 25 CB PRO A 3 1.486 -11.379 -19.561 1.00 4.45 C ATOM 26 CG PRO A 3 0.997 -11.281 -18.120 1.00 30.25 C ATOM 27 CD PRO A 3 0.262 -12.605 -17.948 1.00 72.30 C ATOM 0 HA PRO A 3 1.755 -13.217 -20.698 1.00 23.23 H new ATOM 0 HB2 PRO A 3 2.330 -10.716 -19.749 1.00 4.45 H new ATOM 0 HB3 PRO A 3 0.706 -11.111 -20.273 1.00 4.45 H new ATOM 0 HG2 PRO A 3 1.822 -11.177 -17.415 1.00 30.25 H new ATOM 0 HG3 PRO A 3 0.339 -10.426 -17.969 1.00 30.25 H new ATOM 0 HD2 PRO A 3 0.217 -12.899 -16.899 1.00 72.30 H new ATOM 0 HD3 PRO A 3 -0.766 -12.536 -18.304 1.00 72.30 H new ATOM 32 N GLY A 4 4.207 -13.100 -20.338 1.00 52.13 N ATOM 33 CA GLY A 4 5.636 -13.265 -20.178 1.00 23.33 C ATOM 34 C GLY A 4 6.289 -11.901 -20.052 1.00 43.30 C ATOM 35 O GLY A 4 6.748 -11.357 -21.055 1.00 4.44 O ATOM 0 H GLY A 4 3.913 -13.022 -21.312 1.00 52.13 H new ATOM 0 HA2 GLY A 4 5.847 -13.865 -19.293 1.00 23.33 H new ATOM 0 HA3 GLY A 4 6.049 -13.801 -21.032 1.00 23.33 H new ATOM 39 N GLY A 5 6.304 -11.337 -18.846 1.00 33.25 N ATOM 40 CA GLY A 5 6.957 -10.067 -18.579 1.00 42.44 C ATOM 41 C GLY A 5 6.786 -9.713 -17.114 1.00 14.42 C ATOM 42 O GLY A 5 5.815 -9.040 -16.759 1.00 1.34 O ATOM 0 H GLY A 5 5.861 -11.753 -18.027 1.00 33.25 H new ATOM 0 HA2 GLY A 5 8.016 -10.130 -18.828 1.00 42.44 H new ATOM 0 HA3 GLY A 5 6.528 -9.286 -19.206 1.00 42.44 H new ATOM 46 N LYS A 6 7.656 -10.236 -16.249 1.00 62.22 N ATOM 47 CA LYS A 6 7.577 -10.077 -14.796 1.00 11.31 C ATOM 48 C LYS A 6 8.968 -10.356 -14.230 1.00 64.54 C ATOM 49 O LYS A 6 9.671 -11.226 -14.762 1.00 30.52 O ATOM 50 CB LYS A 6 6.516 -11.058 -14.238 1.00 31.23 C ATOM 51 CG LYS A 6 5.471 -10.402 -13.319 1.00 30.13 C ATOM 52 CD LYS A 6 5.942 -10.305 -11.865 1.00 63.34 C ATOM 53 CE LYS A 6 4.846 -9.714 -10.967 1.00 53.44 C ATOM 54 NZ LYS A 6 5.113 -9.965 -9.535 1.00 74.53 N ATOM 0 H LYS A 6 8.455 -10.796 -16.547 1.00 62.22 H new ATOM 0 HA LYS A 6 7.272 -9.070 -14.511 1.00 11.31 H new ATOM 0 HB2 LYS A 6 6.001 -11.533 -15.074 1.00 31.23 H new ATOM 0 HB3 LYS A 6 7.024 -11.849 -13.686 1.00 31.23 H new ATOM 0 HG2 LYS A 6 5.243 -9.403 -13.690 1.00 30.13 H new ATOM 0 HG3 LYS A 6 4.546 -10.976 -13.359 1.00 30.13 H new ATOM 0 HD2 LYS A 6 6.219 -11.295 -11.502 1.00 63.34 H new ATOM 0 HD3 LYS A 6 6.836 -9.684 -11.810 1.00 63.34 H new ATOM 0 HE2 LYS A 6 4.774 -8.640 -11.140 1.00 53.44 H new ATOM 0 HE3 LYS A 6 3.882 -10.146 -11.238 1.00 53.44 H new ATOM 0 HZ1 LYS A 6 4.351 -9.551 -8.962 1.00 74.53 H new ATOM 0 HZ2 LYS A 6 5.156 -10.990 -9.364 1.00 74.53 H new ATOM 0 HZ3 LYS A 6 6.020 -9.531 -9.270 1.00 74.53 H new ATOM 64 N SER A 7 9.380 -9.661 -13.177 1.00 41.00 N ATOM 65 CA SER A 7 10.715 -9.800 -12.607 1.00 74.10 C ATOM 66 C SER A 7 10.718 -9.413 -11.131 1.00 74.41 C ATOM 67 O SER A 7 9.749 -8.830 -10.628 1.00 61.23 O ATOM 68 CB SER A 7 11.694 -8.946 -13.419 1.00 51.33 C ATOM 69 OG SER A 7 11.217 -7.625 -13.581 1.00 73.33 O ATOM 0 H SER A 7 8.794 -8.981 -12.692 1.00 41.00 H new ATOM 0 HA SER A 7 11.031 -10.842 -12.660 1.00 74.10 H new ATOM 0 HB2 SER A 7 12.662 -8.926 -12.919 1.00 51.33 H new ATOM 0 HB3 SER A 7 11.850 -9.400 -14.397 1.00 51.33 H new ATOM 0 HG SER A 7 11.864 -7.105 -14.102 1.00 73.33 H new ATOM 74 N ARG A 8 11.812 -9.723 -10.429 1.00 14.41 N ATOM 75 CA ARG A 8 11.975 -9.467 -8.999 1.00 53.33 C ATOM 76 C ARG A 8 13.130 -8.483 -8.828 1.00 42.44 C ATOM 77 O ARG A 8 14.269 -8.916 -8.635 1.00 74.43 O ATOM 78 CB ARG A 8 12.194 -10.788 -8.219 1.00 14.22 C ATOM 79 CG ARG A 8 11.124 -11.861 -8.494 1.00 11.33 C ATOM 80 CD ARG A 8 11.335 -13.157 -7.701 1.00 11.42 C ATOM 81 NE ARG A 8 10.823 -13.087 -6.315 1.00 63.42 N ATOM 82 CZ ARG A 8 10.116 -14.041 -5.688 1.00 1.22 C ATOM 83 NH1 ARG A 8 9.613 -15.083 -6.342 1.00 74.21 N ATOM 84 NH2 ARG A 8 9.927 -13.943 -4.381 1.00 5.01 N ATOM 0 H ARG A 8 12.626 -10.169 -10.851 1.00 14.41 H new ATOM 0 HA ARG A 8 11.070 -9.026 -8.581 1.00 53.33 H new ATOM 0 HB2 ARG A 8 13.173 -11.192 -8.476 1.00 14.22 H new ATOM 0 HB3 ARG A 8 12.209 -10.570 -7.151 1.00 14.22 H new ATOM 0 HG2 ARG A 8 10.142 -11.453 -8.253 1.00 11.33 H new ATOM 0 HG3 ARG A 8 11.120 -12.093 -9.559 1.00 11.33 H new ATOM 0 HD2 ARG A 8 10.841 -13.977 -8.222 1.00 11.42 H new ATOM 0 HD3 ARG A 8 12.400 -13.390 -7.676 1.00 11.42 H new ATOM 0 HE ARG A 8 11.025 -12.237 -5.788 1.00 63.42 H new ATOM 0 HH11 ARG A 8 9.760 -15.174 -7.347 1.00 74.21 H new ATOM 0 HH12 ARG A 8 9.080 -15.792 -5.839 1.00 74.21 H new ATOM 0 HH21 ARG A 8 10.316 -13.152 -3.867 1.00 5.01 H new ATOM 0 HH22 ARG A 8 9.393 -14.658 -3.888 1.00 5.01 H new ATOM 95 N ARG A 9 12.875 -7.170 -8.911 1.00 11.42 N ATOM 96 CA ARG A 9 13.890 -6.161 -8.573 1.00 22.24 C ATOM 97 C ARG A 9 14.332 -6.362 -7.124 1.00 33.25 C ATOM 98 O ARG A 9 15.508 -6.198 -6.825 1.00 10.21 O ATOM 99 CB ARG A 9 13.347 -4.738 -8.829 1.00 23.32 C ATOM 100 CG ARG A 9 14.313 -3.581 -8.495 1.00 51.33 C ATOM 101 CD ARG A 9 15.337 -3.264 -9.597 1.00 22.51 C ATOM 102 NE ARG A 9 14.807 -2.281 -10.568 1.00 1.45 N ATOM 103 CZ ARG A 9 15.520 -1.354 -11.227 1.00 32.34 C ATOM 104 NH1 ARG A 9 16.840 -1.292 -11.132 1.00 62.50 N ATOM 105 NH2 ARG A 9 14.921 -0.468 -12.010 1.00 32.45 N ATOM 0 H ARG A 9 11.979 -6.782 -9.208 1.00 11.42 H new ATOM 0 HA ARG A 9 14.763 -6.281 -9.214 1.00 22.24 H new ATOM 0 HB2 ARG A 9 13.066 -4.660 -9.879 1.00 23.32 H new ATOM 0 HB3 ARG A 9 12.436 -4.606 -8.245 1.00 23.32 H new ATOM 0 HG2 ARG A 9 13.728 -2.684 -8.292 1.00 51.33 H new ATOM 0 HG3 ARG A 9 14.849 -3.826 -7.578 1.00 51.33 H new ATOM 0 HD2 ARG A 9 16.249 -2.874 -9.145 1.00 22.51 H new ATOM 0 HD3 ARG A 9 15.607 -4.182 -10.119 1.00 22.51 H new ATOM 0 HE ARG A 9 13.805 -2.311 -10.754 1.00 1.45 H new ATOM 0 HH11 ARG A 9 17.341 -1.960 -10.546 1.00 62.50 H new ATOM 0 HH12 ARG A 9 17.355 -0.576 -11.645 1.00 62.50 H new ATOM 0 HH21 ARG A 9 13.907 -0.485 -12.117 1.00 32.45 H new ATOM 0 HH22 ARG A 9 15.474 0.231 -12.505 1.00 32.45 H new ATOM 116 N ARG A 10 13.400 -6.728 -6.232 1.00 23.34 N ATOM 117 CA ARG A 10 13.579 -6.921 -4.797 1.00 53.03 C ATOM 118 C ARG A 10 14.297 -5.760 -4.107 1.00 53.02 C ATOM 119 O ARG A 10 14.896 -5.976 -3.053 1.00 1.13 O ATOM 120 CB ARG A 10 14.148 -8.317 -4.473 1.00 50.21 C ATOM 121 CG ARG A 10 15.633 -8.546 -4.817 1.00 5.42 C ATOM 122 CD ARG A 10 16.269 -9.603 -3.906 1.00 30.31 C ATOM 123 NE ARG A 10 16.372 -9.124 -2.516 1.00 32.32 N ATOM 124 CZ ARG A 10 16.916 -9.781 -1.489 1.00 23.20 C ATOM 125 NH1 ARG A 10 17.438 -10.991 -1.646 1.00 54.42 N ATOM 126 NH2 ARG A 10 16.944 -9.191 -0.299 1.00 2.30 N ATOM 0 H ARG A 10 12.438 -6.908 -6.520 1.00 23.34 H new ATOM 0 HA ARG A 10 12.585 -6.902 -4.349 1.00 53.03 H new ATOM 0 HB2 ARG A 10 14.011 -8.504 -3.408 1.00 50.21 H new ATOM 0 HB3 ARG A 10 13.555 -9.060 -5.006 1.00 50.21 H new ATOM 0 HG2 ARG A 10 15.721 -8.861 -5.857 1.00 5.42 H new ATOM 0 HG3 ARG A 10 16.178 -7.607 -4.721 1.00 5.42 H new ATOM 0 HD2 ARG A 10 15.674 -10.516 -3.935 1.00 30.31 H new ATOM 0 HD3 ARG A 10 17.261 -9.858 -4.279 1.00 30.31 H new ATOM 0 HE ARG A 10 15.990 -8.199 -2.319 1.00 32.32 H new ATOM 0 HH11 ARG A 10 17.428 -11.435 -2.564 1.00 54.42 H new ATOM 0 HH12 ARG A 10 17.849 -11.476 -0.849 1.00 54.42 H new ATOM 0 HH21 ARG A 10 16.555 -8.255 -0.184 1.00 2.30 H new ATOM 0 HH22 ARG A 10 17.355 -9.674 0.500 1.00 2.30 H new ATOM 137 N ARG A 11 14.256 -4.550 -4.676 1.00 10.34 N ATOM 138 CA ARG A 11 14.905 -3.362 -4.144 1.00 34.44 C ATOM 139 C ARG A 11 14.217 -2.100 -4.659 1.00 73.40 C ATOM 140 O ARG A 11 13.436 -2.157 -5.614 1.00 14.31 O ATOM 141 CB ARG A 11 16.362 -3.277 -4.617 1.00 62.10 C ATOM 142 CG ARG A 11 17.338 -4.399 -4.240 1.00 22.33 C ATOM 143 CD ARG A 11 18.689 -3.831 -4.667 1.00 51.42 C ATOM 144 NE ARG A 11 19.827 -4.748 -4.590 1.00 21.11 N ATOM 145 CZ ARG A 11 20.983 -4.473 -5.202 1.00 45.30 C ATOM 146 NH1 ARG A 11 21.115 -3.353 -5.914 1.00 45.02 N ATOM 147 NH2 ARG A 11 22.011 -5.301 -5.104 1.00 70.32 N ATOM 0 H ARG A 11 13.753 -4.373 -5.546 1.00 10.34 H new ATOM 0 HA ARG A 11 14.848 -3.432 -3.058 1.00 34.44 H new ATOM 0 HB2 ARG A 11 16.350 -3.204 -5.704 1.00 62.10 H new ATOM 0 HB3 ARG A 11 16.775 -2.342 -4.239 1.00 62.10 H new ATOM 0 HG2 ARG A 11 17.310 -4.617 -3.172 1.00 22.33 H new ATOM 0 HG3 ARG A 11 17.107 -5.328 -4.761 1.00 22.33 H new ATOM 0 HD2 ARG A 11 18.603 -3.477 -5.694 1.00 51.42 H new ATOM 0 HD3 ARG A 11 18.907 -2.961 -4.047 1.00 51.42 H new ATOM 0 HE ARG A 11 19.736 -5.614 -4.059 1.00 21.11 H new ATOM 0 HH11 ARG A 11 20.332 -2.703 -5.993 1.00 45.02 H new ATOM 0 HH12 ARG A 11 21.998 -3.146 -6.380 1.00 45.02 H new ATOM 0 HH21 ARG A 11 21.925 -6.158 -4.558 1.00 70.32 H new ATOM 0 HH22 ARG A 11 22.889 -5.082 -5.575 1.00 70.32 H new ATOM 158 N THR A 12 14.652 -0.971 -4.100 1.00 50.42 N ATOM 159 CA THR A 12 14.382 0.396 -4.502 1.00 63.21 C ATOM 160 C THR A 12 12.925 0.771 -4.225 1.00 51.24 C ATOM 161 O THR A 12 11.983 0.316 -4.876 1.00 62.11 O ATOM 162 CB THR A 12 14.822 0.700 -5.932 1.00 43.30 C ATOM 163 OG1 THR A 12 15.975 -0.035 -6.333 1.00 44.12 O ATOM 164 CG2 THR A 12 15.110 2.192 -6.111 1.00 34.34 C ATOM 0 H THR A 12 15.257 -1.001 -3.280 1.00 50.42 H new ATOM 0 HA THR A 12 15.002 1.043 -3.881 1.00 63.21 H new ATOM 0 HB THR A 12 13.989 0.394 -6.564 1.00 43.30 H new ATOM 0 HG1 THR A 12 16.208 0.199 -7.256 1.00 44.12 H new ATOM 0 HG21 THR A 12 15.421 2.382 -7.138 1.00 34.34 H new ATOM 0 HG22 THR A 12 14.209 2.765 -5.893 1.00 34.34 H new ATOM 0 HG23 THR A 12 15.905 2.493 -5.429 1.00 34.34 H new ATOM 172 N ALA A 13 12.776 1.631 -3.230 1.00 50.31 N ATOM 173 CA ALA A 13 11.567 2.116 -2.567 1.00 22.34 C ATOM 174 C ALA A 13 10.760 1.003 -1.885 1.00 5.14 C ATOM 175 O ALA A 13 10.619 1.018 -0.663 1.00 30.32 O ATOM 176 CB ALA A 13 10.723 2.953 -3.532 1.00 2.04 C ATOM 0 H ALA A 13 13.602 2.061 -2.814 1.00 50.31 H new ATOM 0 HA ALA A 13 11.885 2.766 -1.752 1.00 22.34 H new ATOM 0 HB1 ALA A 13 9.827 3.305 -3.020 1.00 2.04 H new ATOM 0 HB2 ALA A 13 11.304 3.808 -3.876 1.00 2.04 H new ATOM 0 HB3 ALA A 13 10.436 2.342 -4.388 1.00 2.04 H new ATOM 182 N PHE A 14 10.251 0.033 -2.646 1.00 32.15 N ATOM 183 CA PHE A 14 9.448 -1.099 -2.185 1.00 64.22 C ATOM 184 C PHE A 14 9.994 -2.366 -2.863 1.00 13.42 C ATOM 185 O PHE A 14 11.085 -2.314 -3.442 1.00 45.12 O ATOM 186 CB PHE A 14 7.968 -0.863 -2.495 1.00 14.41 C ATOM 187 CG PHE A 14 7.433 0.483 -2.041 1.00 30.54 C ATOM 188 CD1 PHE A 14 7.574 1.574 -2.910 1.00 11.23 C ATOM 189 CD2 PHE A 14 6.827 0.665 -0.784 1.00 61.12 C ATOM 190 CE1 PHE A 14 7.084 2.843 -2.560 1.00 11.34 C ATOM 191 CE2 PHE A 14 6.352 1.941 -0.422 1.00 70.53 C ATOM 192 CZ PHE A 14 6.465 3.022 -1.312 1.00 25.44 C ATOM 0 H PHE A 14 10.396 0.016 -3.655 1.00 32.15 H new ATOM 0 HA PHE A 14 9.519 -1.216 -1.104 1.00 64.22 H new ATOM 0 HB2 PHE A 14 7.817 -0.955 -3.571 1.00 14.41 H new ATOM 0 HB3 PHE A 14 7.381 -1.650 -2.022 1.00 14.41 H new ATOM 0 HD1 PHE A 14 8.066 1.437 -3.862 1.00 11.23 H new ATOM 0 HD2 PHE A 14 6.727 -0.167 -0.102 1.00 61.12 H new ATOM 0 HE1 PHE A 14 7.182 3.673 -3.244 1.00 11.34 H new ATOM 0 HE2 PHE A 14 5.898 2.089 0.547 1.00 70.53 H new ATOM 0 HZ PHE A 14 6.076 3.991 -1.037 1.00 25.44 H new ATOM 201 N THR A 15 9.262 -3.480 -2.849 1.00 33.21 N ATOM 202 CA THR A 15 9.462 -4.568 -3.798 1.00 10.33 C ATOM 203 C THR A 15 8.110 -4.933 -4.408 1.00 73.54 C ATOM 204 O THR A 15 7.068 -4.461 -3.955 1.00 10.22 O ATOM 205 CB THR A 15 10.168 -5.779 -3.154 1.00 44.21 C ATOM 206 OG1 THR A 15 9.288 -6.543 -2.355 1.00 64.32 O ATOM 207 CG2 THR A 15 11.386 -5.404 -2.302 1.00 14.12 C ATOM 0 H THR A 15 8.514 -3.651 -2.177 1.00 33.21 H new ATOM 0 HA THR A 15 10.132 -4.239 -4.592 1.00 10.33 H new ATOM 0 HB THR A 15 10.513 -6.369 -4.003 1.00 44.21 H new ATOM 0 HG1 THR A 15 9.773 -7.301 -1.967 1.00 64.32 H new ATOM 0 HG21 THR A 15 11.829 -6.307 -1.883 1.00 14.12 H new ATOM 0 HG22 THR A 15 12.122 -4.894 -2.924 1.00 14.12 H new ATOM 0 HG23 THR A 15 11.075 -4.744 -1.493 1.00 14.12 H new ATOM 215 N SER A 16 8.101 -5.799 -5.415 1.00 24.55 N ATOM 216 CA SER A 16 6.890 -6.318 -6.037 1.00 61.54 C ATOM 217 C SER A 16 6.095 -7.242 -5.119 1.00 74.32 C ATOM 218 O SER A 16 4.928 -7.501 -5.406 1.00 41.03 O ATOM 219 CB SER A 16 7.233 -7.010 -7.366 1.00 11.25 C ATOM 220 OG SER A 16 8.592 -7.430 -7.434 1.00 44.32 O ATOM 0 H SER A 16 8.956 -6.168 -5.831 1.00 24.55 H new ATOM 0 HA SER A 16 6.240 -5.466 -6.237 1.00 61.54 H new ATOM 0 HB2 SER A 16 6.583 -7.875 -7.499 1.00 11.25 H new ATOM 0 HB3 SER A 16 7.027 -6.327 -8.190 1.00 11.25 H new ATOM 0 HG SER A 16 9.154 -6.676 -7.710 1.00 44.32 H new ATOM 225 N GLU A 17 6.688 -7.720 -4.030 1.00 44.22 N ATOM 226 CA GLU A 17 6.016 -8.484 -3.002 1.00 11.01 C ATOM 227 C GLU A 17 5.293 -7.550 -2.035 1.00 11.21 C ATOM 228 O GLU A 17 4.125 -7.763 -1.719 1.00 13.01 O ATOM 229 CB GLU A 17 7.103 -9.284 -2.288 1.00 42.43 C ATOM 230 CG GLU A 17 6.529 -10.314 -1.324 1.00 50.12 C ATOM 231 CD GLU A 17 7.632 -11.001 -0.535 1.00 5.01 C ATOM 232 OE1 GLU A 17 8.474 -11.673 -1.174 1.00 72.41 O ATOM 233 OE2 GLU A 17 7.725 -10.781 0.691 1.00 4.15 O ATOM 0 H GLU A 17 7.680 -7.578 -3.839 1.00 44.22 H new ATOM 0 HA GLU A 17 5.260 -9.147 -3.422 1.00 11.01 H new ATOM 0 HB2 GLU A 17 7.723 -9.790 -3.028 1.00 42.43 H new ATOM 0 HB3 GLU A 17 7.753 -8.601 -1.741 1.00 42.43 H new ATOM 0 HG2 GLU A 17 5.836 -9.827 -0.638 1.00 50.12 H new ATOM 0 HG3 GLU A 17 5.958 -11.058 -1.880 1.00 50.12 H new ATOM 238 N GLN A 18 5.990 -6.506 -1.587 1.00 45.04 N ATOM 239 CA GLN A 18 5.450 -5.490 -0.700 1.00 70.14 C ATOM 240 C GLN A 18 4.322 -4.746 -1.412 1.00 31.21 C ATOM 241 O GLN A 18 3.230 -4.634 -0.873 1.00 5.02 O ATOM 242 CB GLN A 18 6.584 -4.536 -0.281 1.00 70.23 C ATOM 243 CG GLN A 18 7.658 -5.246 0.565 1.00 11.15 C ATOM 244 CD GLN A 18 8.897 -4.394 0.844 1.00 71.42 C ATOM 245 OE1 GLN A 18 9.248 -3.498 0.080 1.00 13.13 O ATOM 246 NE2 GLN A 18 9.601 -4.689 1.924 1.00 71.10 N ATOM 0 H GLN A 18 6.965 -6.345 -1.839 1.00 45.04 H new ATOM 0 HA GLN A 18 5.037 -5.945 0.200 1.00 70.14 H new ATOM 0 HB2 GLN A 18 7.047 -4.112 -1.172 1.00 70.23 H new ATOM 0 HB3 GLN A 18 6.166 -3.705 0.288 1.00 70.23 H new ATOM 0 HG2 GLN A 18 7.216 -5.548 1.515 1.00 11.15 H new ATOM 0 HG3 GLN A 18 7.965 -6.158 0.052 1.00 11.15 H new ATOM 0 HE21 GLN A 18 9.292 -5.437 2.546 1.00 71.10 H new ATOM 0 HE22 GLN A 18 10.453 -4.169 2.135 1.00 71.10 H new ATOM 253 N LEU A 19 4.547 -4.291 -2.649 1.00 71.54 N ATOM 254 CA LEU A 19 3.550 -3.560 -3.433 1.00 12.21 C ATOM 255 C LEU A 19 2.347 -4.440 -3.798 1.00 51.30 C ATOM 256 O LEU A 19 1.305 -3.900 -4.158 1.00 11.05 O ATOM 257 CB LEU A 19 4.200 -3.012 -4.717 1.00 41.32 C ATOM 258 CG LEU A 19 5.161 -1.832 -4.490 1.00 61.43 C ATOM 259 CD1 LEU A 19 5.984 -1.595 -5.763 1.00 3.12 C ATOM 260 CD2 LEU A 19 4.437 -0.533 -4.131 1.00 50.44 C ATOM 0 H LEU A 19 5.433 -4.421 -3.137 1.00 71.54 H new ATOM 0 HA LEU A 19 3.184 -2.738 -2.818 1.00 12.21 H new ATOM 0 HB2 LEU A 19 4.745 -3.819 -5.207 1.00 41.32 H new ATOM 0 HB3 LEU A 19 3.413 -2.697 -5.402 1.00 41.32 H new ATOM 0 HG LEU A 19 5.798 -2.101 -3.647 1.00 61.43 H new ATOM 0 HD11 LEU A 19 6.666 -0.759 -5.605 1.00 3.12 H new ATOM 0 HD12 LEU A 19 6.557 -2.492 -5.998 1.00 3.12 H new ATOM 0 HD13 LEU A 19 5.314 -1.365 -6.592 1.00 3.12 H new ATOM 0 HD21 LEU A 19 5.168 0.262 -3.983 1.00 50.44 H new ATOM 0 HD22 LEU A 19 3.760 -0.258 -4.940 1.00 50.44 H new ATOM 0 HD23 LEU A 19 3.866 -0.676 -3.214 1.00 50.44 H new ATOM 271 N LEU A 20 2.481 -5.769 -3.750 1.00 42.30 N ATOM 272 CA LEU A 20 1.355 -6.681 -3.914 1.00 74.20 C ATOM 273 C LEU A 20 0.529 -6.706 -2.635 1.00 52.01 C ATOM 274 O LEU A 20 -0.684 -6.618 -2.702 1.00 24.11 O ATOM 275 CB LEU A 20 1.856 -8.093 -4.249 1.00 23.24 C ATOM 276 CG LEU A 20 0.741 -9.153 -4.362 1.00 65.43 C ATOM 277 CD1 LEU A 20 -0.053 -9.008 -5.664 1.00 30.52 C ATOM 278 CD2 LEU A 20 1.395 -10.536 -4.280 1.00 52.10 C ATOM 0 H LEU A 20 3.374 -6.238 -3.596 1.00 42.30 H new ATOM 0 HA LEU A 20 0.731 -6.333 -4.737 1.00 74.20 H new ATOM 0 HB2 LEU A 20 2.404 -8.057 -5.191 1.00 23.24 H new ATOM 0 HB3 LEU A 20 2.563 -8.407 -3.481 1.00 23.24 H new ATOM 0 HG LEU A 20 0.030 -9.017 -3.547 1.00 65.43 H new ATOM 0 HD11 LEU A 20 -0.828 -9.773 -5.705 1.00 30.52 H new ATOM 0 HD12 LEU A 20 -0.515 -8.021 -5.701 1.00 30.52 H new ATOM 0 HD13 LEU A 20 0.618 -9.126 -6.515 1.00 30.52 H new ATOM 0 HD21 LEU A 20 0.628 -11.306 -4.357 1.00 52.10 H new ATOM 0 HD22 LEU A 20 2.108 -10.650 -5.097 1.00 52.10 H new ATOM 0 HD23 LEU A 20 1.915 -10.637 -3.327 1.00 52.10 H new ATOM 289 N GLU A 21 1.157 -6.869 -1.476 1.00 64.23 N ATOM 290 CA GLU A 21 0.450 -7.025 -0.203 1.00 45.03 C ATOM 291 C GLU A 21 -0.201 -5.707 0.250 1.00 1.34 C ATOM 292 O GLU A 21 -1.163 -5.699 1.020 1.00 50.12 O ATOM 293 CB GLU A 21 1.473 -7.528 0.819 1.00 25.41 C ATOM 294 CG GLU A 21 1.934 -8.956 0.504 1.00 12.15 C ATOM 295 CD GLU A 21 1.518 -10.018 1.519 1.00 14.03 C ATOM 296 OE1 GLU A 21 0.336 -10.079 1.928 1.00 3.31 O ATOM 297 OE2 GLU A 21 2.403 -10.847 1.831 1.00 21.54 O ATOM 0 H GLU A 21 2.173 -6.897 -1.389 1.00 64.23 H new ATOM 0 HA GLU A 21 -0.368 -7.738 -0.307 1.00 45.03 H new ATOM 0 HB2 GLU A 21 2.335 -6.861 0.829 1.00 25.41 H new ATOM 0 HB3 GLU A 21 1.035 -7.499 1.817 1.00 25.41 H new ATOM 0 HG2 GLU A 21 1.542 -9.239 -0.473 1.00 12.15 H new ATOM 0 HG3 GLU A 21 3.021 -8.959 0.425 1.00 12.15 H new ATOM 302 N LEU A 22 0.309 -4.583 -0.242 1.00 62.53 N ATOM 303 CA LEU A 22 -0.135 -3.229 0.068 1.00 74.40 C ATOM 304 C LEU A 22 -1.562 -2.969 -0.415 1.00 22.13 C ATOM 305 O LEU A 22 -2.383 -2.420 0.318 1.00 61.34 O ATOM 306 CB LEU A 22 0.868 -2.259 -0.579 1.00 30.55 C ATOM 307 CG LEU A 22 1.734 -1.438 0.394 1.00 42.43 C ATOM 308 CD1 LEU A 22 2.348 -2.211 1.569 1.00 45.03 C ATOM 309 CD2 LEU A 22 2.885 -0.810 -0.405 1.00 24.13 C ATOM 0 H LEU A 22 1.085 -4.593 -0.904 1.00 62.53 H new ATOM 0 HA LEU A 22 -0.161 -3.084 1.148 1.00 74.40 H new ATOM 0 HB2 LEU A 22 1.530 -2.831 -1.229 1.00 30.55 H new ATOM 0 HB3 LEU A 22 0.316 -1.567 -1.215 1.00 30.55 H new ATOM 0 HG LEU A 22 1.055 -0.712 0.841 1.00 42.43 H new ATOM 0 HD11 LEU A 22 2.936 -1.530 2.185 1.00 45.03 H new ATOM 0 HD12 LEU A 22 1.552 -2.650 2.171 1.00 45.03 H new ATOM 0 HD13 LEU A 22 2.993 -3.002 1.187 1.00 45.03 H new ATOM 0 HD21 LEU A 22 3.514 -0.222 0.264 1.00 24.13 H new ATOM 0 HD22 LEU A 22 3.481 -1.598 -0.865 1.00 24.13 H new ATOM 0 HD23 LEU A 22 2.478 -0.163 -1.182 1.00 24.13 H new ATOM 320 N GLU A 23 -1.877 -3.372 -1.647 1.00 3.45 N ATOM 321 CA GLU A 23 -3.221 -3.235 -2.197 1.00 50.24 C ATOM 322 C GLU A 23 -4.224 -4.157 -1.502 1.00 45.12 C ATOM 323 O GLU A 23 -5.419 -3.852 -1.453 1.00 41.42 O ATOM 324 CB GLU A 23 -3.199 -3.490 -3.710 1.00 30.21 C ATOM 325 CG GLU A 23 -2.513 -4.806 -4.100 1.00 34.45 C ATOM 326 CD GLU A 23 -2.853 -5.219 -5.528 1.00 21.22 C ATOM 327 OE1 GLU A 23 -2.213 -4.711 -6.479 1.00 1.42 O ATOM 328 OE2 GLU A 23 -3.816 -5.983 -5.729 1.00 1.02 O ATOM 0 H GLU A 23 -1.209 -3.801 -2.287 1.00 3.45 H new ATOM 0 HA GLU A 23 -3.553 -2.213 -2.014 1.00 50.24 H new ATOM 0 HB2 GLU A 23 -4.223 -3.499 -4.084 1.00 30.21 H new ATOM 0 HB3 GLU A 23 -2.687 -2.663 -4.202 1.00 30.21 H new ATOM 0 HG2 GLU A 23 -1.433 -4.697 -4.000 1.00 34.45 H new ATOM 0 HG3 GLU A 23 -2.819 -5.594 -3.411 1.00 34.45 H new ATOM 333 N LYS A 24 -3.756 -5.280 -0.957 1.00 71.40 N ATOM 334 CA LYS A 24 -4.602 -6.308 -0.373 1.00 5.14 C ATOM 335 C LYS A 24 -5.242 -5.774 0.904 1.00 62.22 C ATOM 336 O LYS A 24 -6.468 -5.820 1.042 1.00 73.21 O ATOM 337 CB LYS A 24 -3.775 -7.587 -0.194 1.00 61.23 C ATOM 338 CG LYS A 24 -3.301 -8.127 -1.557 1.00 30.41 C ATOM 339 CD LYS A 24 -3.664 -9.580 -1.854 1.00 72.24 C ATOM 340 CE LYS A 24 -3.269 -9.886 -3.307 1.00 30.04 C ATOM 341 NZ LYS A 24 -4.430 -9.905 -4.224 1.00 44.24 N ATOM 0 H LYS A 24 -2.761 -5.500 -0.911 1.00 71.40 H new ATOM 0 HA LYS A 24 -5.433 -6.572 -1.027 1.00 5.14 H new ATOM 0 HB2 LYS A 24 -2.913 -7.382 0.441 1.00 61.23 H new ATOM 0 HB3 LYS A 24 -4.373 -8.344 0.314 1.00 61.23 H new ATOM 0 HG2 LYS A 24 -3.721 -7.499 -2.342 1.00 30.41 H new ATOM 0 HG3 LYS A 24 -2.217 -8.024 -1.611 1.00 30.41 H new ATOM 0 HD2 LYS A 24 -3.143 -10.249 -1.169 1.00 72.24 H new ATOM 0 HD3 LYS A 24 -4.732 -9.743 -1.708 1.00 72.24 H new ATOM 0 HE2 LYS A 24 -2.553 -9.139 -3.649 1.00 30.04 H new ATOM 0 HE3 LYS A 24 -2.765 -10.852 -3.346 1.00 30.04 H new ATOM 0 HZ1 LYS A 24 -4.106 -10.116 -5.190 1.00 44.24 H new ATOM 0 HZ2 LYS A 24 -5.103 -10.636 -3.917 1.00 44.24 H new ATOM 0 HZ3 LYS A 24 -4.898 -8.976 -4.211 1.00 44.24 H new ATOM 351 N GLU A 25 -4.453 -5.140 1.768 1.00 1.24 N ATOM 352 CA GLU A 25 -4.918 -4.426 2.958 1.00 41.21 C ATOM 353 C GLU A 25 -5.931 -3.316 2.633 1.00 64.34 C ATOM 354 O GLU A 25 -6.798 -3.001 3.451 1.00 74.23 O ATOM 355 CB GLU A 25 -3.692 -3.829 3.667 1.00 71.40 C ATOM 356 CG GLU A 25 -3.120 -4.754 4.744 1.00 50.22 C ATOM 357 CD GLU A 25 -3.960 -4.799 6.023 1.00 72.01 C ATOM 358 OE1 GLU A 25 -4.864 -3.953 6.229 1.00 63.34 O ATOM 359 OE2 GLU A 25 -3.731 -5.699 6.856 1.00 34.12 O ATOM 0 H GLU A 25 -3.440 -5.107 1.657 1.00 1.24 H new ATOM 0 HA GLU A 25 -5.439 -5.136 3.600 1.00 41.21 H new ATOM 0 HB2 GLU A 25 -2.919 -3.617 2.929 1.00 71.40 H new ATOM 0 HB3 GLU A 25 -3.968 -2.878 4.121 1.00 71.40 H new ATOM 0 HG2 GLU A 25 -3.037 -5.762 4.338 1.00 50.22 H new ATOM 0 HG3 GLU A 25 -2.111 -4.427 4.994 1.00 50.22 H new ATOM 364 N PHE A 26 -5.895 -2.750 1.421 1.00 52.04 N ATOM 365 CA PHE A 26 -6.678 -1.565 1.073 1.00 51.02 C ATOM 366 C PHE A 26 -8.158 -1.916 0.859 1.00 10.13 C ATOM 367 O PHE A 26 -8.973 -1.061 0.487 1.00 70.13 O ATOM 368 CB PHE A 26 -6.049 -0.866 -0.146 1.00 4.32 C ATOM 369 CG PHE A 26 -6.465 0.586 -0.312 1.00 51.10 C ATOM 370 CD1 PHE A 26 -6.089 1.539 0.655 1.00 5.45 C ATOM 371 CD2 PHE A 26 -7.246 0.989 -1.411 1.00 25.52 C ATOM 372 CE1 PHE A 26 -6.489 2.881 0.532 1.00 31.54 C ATOM 373 CE2 PHE A 26 -7.648 2.330 -1.535 1.00 11.25 C ATOM 374 CZ PHE A 26 -7.274 3.276 -0.565 1.00 54.02 C ATOM 0 H PHE A 26 -5.321 -3.103 0.655 1.00 52.04 H new ATOM 0 HA PHE A 26 -6.655 -0.862 1.906 1.00 51.02 H new ATOM 0 HB2 PHE A 26 -4.964 -0.914 -0.059 1.00 4.32 H new ATOM 0 HB3 PHE A 26 -6.321 -1.416 -1.047 1.00 4.32 H new ATOM 0 HD1 PHE A 26 -5.488 1.236 1.499 1.00 5.45 H new ATOM 0 HD2 PHE A 26 -7.537 0.267 -2.160 1.00 25.52 H new ATOM 0 HE1 PHE A 26 -6.194 3.605 1.277 1.00 31.54 H new ATOM 0 HE2 PHE A 26 -8.247 2.635 -2.380 1.00 11.25 H new ATOM 0 HZ PHE A 26 -7.589 4.304 -0.662 1.00 54.02 H new ATOM 383 N HIS A 27 -8.530 -3.181 1.072 1.00 74.24 N ATOM 384 CA HIS A 27 -9.898 -3.634 1.027 1.00 72.10 C ATOM 385 C HIS A 27 -10.592 -3.370 2.364 1.00 43.33 C ATOM 386 O HIS A 27 -11.477 -2.507 2.419 1.00 44.53 O ATOM 387 CB HIS A 27 -9.959 -5.090 0.562 1.00 53.22 C ATOM 388 CG HIS A 27 -11.092 -5.268 -0.418 1.00 23.32 C ATOM 389 ND1 HIS A 27 -12.378 -5.656 -0.121 1.00 2.22 N ATOM 390 CD2 HIS A 27 -11.056 -4.933 -1.743 1.00 3.23 C ATOM 391 CE1 HIS A 27 -13.103 -5.581 -1.249 1.00 44.23 C ATOM 392 NE2 HIS A 27 -12.350 -5.102 -2.257 1.00 62.40 N ATOM 0 H HIS A 27 -7.865 -3.924 1.284 1.00 74.24 H new ATOM 0 HA HIS A 27 -10.458 -3.062 0.287 1.00 72.10 H new ATOM 0 HB2 HIS A 27 -9.015 -5.372 0.095 1.00 53.22 H new ATOM 0 HB3 HIS A 27 -10.100 -5.749 1.419 1.00 53.22 H new ATOM 0 HD2 HIS A 27 -10.189 -4.599 -2.294 1.00 3.23 H new ATOM 0 HE1 HIS A 27 -14.142 -5.864 -1.335 1.00 44.23 H new ATOM 0 HE2 HIS A 27 -12.660 -4.901 -3.208 1.00 62.40 H new ATOM 399 N CYS A 28 -10.194 -4.063 3.435 1.00 33.33 N ATOM 400 CA CYS A 28 -10.821 -3.954 4.739 1.00 25.02 C ATOM 401 C CYS A 28 -10.345 -2.709 5.469 1.00 62.32 C ATOM 402 O CYS A 28 -11.071 -2.267 6.359 1.00 51.54 O ATOM 403 CB CYS A 28 -10.539 -5.191 5.605 1.00 73.02 C ATOM 404 SG CYS A 28 -11.623 -6.565 5.136 1.00 23.03 S ATOM 0 H CYS A 28 -9.416 -4.722 3.412 1.00 33.33 H new ATOM 0 HA CYS A 28 -11.896 -3.883 4.571 1.00 25.02 H new ATOM 0 HB2 CYS A 28 -9.497 -5.489 5.492 1.00 73.02 H new ATOM 0 HB3 CYS A 28 -10.689 -4.946 6.657 1.00 73.02 H new ATOM 0 HG CYS A 28 -11.362 -7.598 5.882 1.00 23.03 H new ATOM 409 N LYS A 29 -9.202 -2.116 5.097 1.00 72.34 N ATOM 410 CA LYS A 29 -8.692 -0.927 5.761 1.00 71.12 C ATOM 411 C LYS A 29 -8.375 0.165 4.746 1.00 43.10 C ATOM 412 O LYS A 29 -7.288 0.216 4.174 1.00 41.24 O ATOM 413 CB LYS A 29 -7.498 -1.284 6.665 1.00 65.01 C ATOM 414 CG LYS A 29 -7.848 -2.225 7.833 1.00 12.22 C ATOM 415 CD LYS A 29 -8.815 -1.595 8.855 1.00 30.01 C ATOM 416 CE LYS A 29 -9.120 -2.499 10.057 1.00 64.00 C ATOM 417 NZ LYS A 29 -9.784 -3.769 9.689 1.00 74.00 N ATOM 0 H LYS A 29 -8.615 -2.450 4.333 1.00 72.34 H new ATOM 0 HA LYS A 29 -9.464 -0.521 6.414 1.00 71.12 H new ATOM 0 HB2 LYS A 29 -6.723 -1.751 6.057 1.00 65.01 H new ATOM 0 HB3 LYS A 29 -7.075 -0.364 7.069 1.00 65.01 H new ATOM 0 HG2 LYS A 29 -8.294 -3.136 7.435 1.00 12.22 H new ATOM 0 HG3 LYS A 29 -6.930 -2.516 8.343 1.00 12.22 H new ATOM 0 HD2 LYS A 29 -8.389 -0.659 9.215 1.00 30.01 H new ATOM 0 HD3 LYS A 29 -9.750 -1.347 8.352 1.00 30.01 H new ATOM 0 HE2 LYS A 29 -8.189 -2.723 10.578 1.00 64.00 H new ATOM 0 HE3 LYS A 29 -9.755 -1.956 10.757 1.00 64.00 H new ATOM 0 HZ1 LYS A 29 -9.960 -4.330 10.547 1.00 74.00 H new ATOM 0 HZ2 LYS A 29 -10.688 -3.564 9.217 1.00 74.00 H new ATOM 0 HZ3 LYS A 29 -9.171 -4.307 9.044 1.00 74.00 H new ATOM 427 N LYS A 30 -9.314 1.100 4.548 1.00 22.11 N ATOM 428 CA LYS A 30 -9.085 2.290 3.719 1.00 5.31 C ATOM 429 C LYS A 30 -7.981 3.183 4.302 1.00 44.21 C ATOM 430 O LYS A 30 -7.514 4.093 3.610 1.00 13.32 O ATOM 431 CB LYS A 30 -10.379 3.110 3.540 1.00 51.11 C ATOM 432 CG LYS A 30 -11.596 2.369 2.958 1.00 24.42 C ATOM 433 CD LYS A 30 -11.311 1.581 1.669 1.00 12.12 C ATOM 434 CE LYS A 30 -12.589 1.113 0.954 1.00 13.31 C ATOM 435 NZ LYS A 30 -13.518 0.352 1.827 1.00 73.44 N ATOM 0 H LYS A 30 -10.248 1.053 4.955 1.00 22.11 H new ATOM 0 HA LYS A 30 -8.760 1.933 2.742 1.00 5.31 H new ATOM 0 HB2 LYS A 30 -10.661 3.516 4.512 1.00 51.11 H new ATOM 0 HB3 LYS A 30 -10.157 3.958 2.893 1.00 51.11 H new ATOM 0 HG2 LYS A 30 -11.980 1.681 3.711 1.00 24.42 H new ATOM 0 HG3 LYS A 30 -12.384 3.094 2.758 1.00 24.42 H new ATOM 0 HD2 LYS A 30 -10.729 2.205 0.990 1.00 12.12 H new ATOM 0 HD3 LYS A 30 -10.697 0.713 1.909 1.00 12.12 H new ATOM 0 HE2 LYS A 30 -13.110 1.983 0.555 1.00 13.31 H new ATOM 0 HE3 LYS A 30 -12.311 0.490 0.104 1.00 13.31 H new ATOM 0 HZ1 LYS A 30 -14.323 0.011 1.264 1.00 73.44 H new ATOM 0 HZ2 LYS A 30 -13.018 -0.460 2.242 1.00 73.44 H new ATOM 0 HZ3 LYS A 30 -13.865 0.971 2.587 1.00 73.44 H new ATOM 445 N TYR A 31 -7.590 2.998 5.564 1.00 53.41 N ATOM 446 CA TYR A 31 -6.432 3.598 6.211 1.00 14.04 C ATOM 447 C TYR A 31 -6.157 2.792 7.477 1.00 30.14 C ATOM 448 O TYR A 31 -7.076 2.207 8.048 1.00 14.04 O ATOM 449 CB TYR A 31 -6.697 5.068 6.585 1.00 11.14 C ATOM 450 CG TYR A 31 -7.978 5.301 7.362 1.00 22.21 C ATOM 451 CD1 TYR A 31 -9.201 5.410 6.676 1.00 3.11 C ATOM 452 CD2 TYR A 31 -7.961 5.334 8.766 1.00 11.24 C ATOM 453 CE1 TYR A 31 -10.407 5.511 7.383 1.00 54.31 C ATOM 454 CE2 TYR A 31 -9.160 5.459 9.485 1.00 22.45 C ATOM 455 CZ TYR A 31 -10.388 5.537 8.793 1.00 41.12 C ATOM 456 OH TYR A 31 -11.539 5.656 9.496 1.00 45.44 O ATOM 0 H TYR A 31 -8.108 2.387 6.196 1.00 53.41 H new ATOM 0 HA TYR A 31 -5.580 3.583 5.531 1.00 14.04 H new ATOM 0 HB2 TYR A 31 -5.858 5.436 7.175 1.00 11.14 H new ATOM 0 HB3 TYR A 31 -6.729 5.662 5.671 1.00 11.14 H new ATOM 0 HD1 TYR A 31 -9.211 5.416 5.596 1.00 3.11 H new ATOM 0 HD2 TYR A 31 -7.022 5.263 9.294 1.00 11.24 H new ATOM 0 HE1 TYR A 31 -11.345 5.569 6.851 1.00 54.31 H new ATOM 0 HE2 TYR A 31 -9.143 5.495 10.564 1.00 22.45 H new ATOM 0 HH TYR A 31 -11.338 5.655 10.455 1.00 45.44 H new ATOM 465 N LEU A 32 -4.898 2.776 7.913 1.00 53.20 N ATOM 466 CA LEU A 32 -4.459 2.153 9.143 1.00 52.41 C ATOM 467 C LEU A 32 -4.458 3.150 10.300 1.00 10.24 C ATOM 468 O LEU A 32 -4.787 4.329 10.156 1.00 1.23 O ATOM 469 CB LEU A 32 -3.039 1.609 8.903 1.00 50.22 C ATOM 470 CG LEU A 32 -2.838 0.610 7.744 1.00 74.44 C ATOM 471 CD1 LEU A 32 -4.068 -0.215 7.339 1.00 45.23 C ATOM 472 CD2 LEU A 32 -2.210 1.278 6.520 1.00 52.24 C ATOM 0 H LEU A 32 -4.136 3.214 7.395 1.00 53.20 H new ATOM 0 HA LEU A 32 -5.142 1.349 9.417 1.00 52.41 H new ATOM 0 HB2 LEU A 32 -2.379 2.459 8.731 1.00 50.22 H new ATOM 0 HB3 LEU A 32 -2.705 1.128 9.822 1.00 50.22 H new ATOM 0 HG LEU A 32 -2.144 -0.119 8.162 1.00 74.44 H new ATOM 0 HD11 LEU A 32 -3.805 -0.880 6.516 1.00 45.23 H new ATOM 0 HD12 LEU A 32 -4.406 -0.806 8.190 1.00 45.23 H new ATOM 0 HD13 LEU A 32 -4.867 0.455 7.023 1.00 45.23 H new ATOM 0 HD21 LEU A 32 -2.085 0.541 5.727 1.00 52.24 H new ATOM 0 HD22 LEU A 32 -2.859 2.081 6.170 1.00 52.24 H new ATOM 0 HD23 LEU A 32 -1.237 1.689 6.789 1.00 52.24 H new ATOM 483 N SER A 33 -4.035 2.652 11.455 1.00 72.33 N ATOM 484 CA SER A 33 -3.632 3.363 12.652 1.00 42.03 C ATOM 485 C SER A 33 -2.313 2.737 13.099 1.00 2.31 C ATOM 486 O SER A 33 -1.875 1.775 12.471 1.00 32.51 O ATOM 487 CB SER A 33 -4.751 3.217 13.675 1.00 54.12 C ATOM 488 OG SER A 33 -4.628 4.185 14.703 1.00 63.40 O ATOM 0 H SER A 33 -3.960 1.643 11.585 1.00 72.33 H new ATOM 0 HA SER A 33 -3.472 4.431 12.504 1.00 42.03 H new ATOM 0 HB2 SER A 33 -5.717 3.326 13.181 1.00 54.12 H new ATOM 0 HB3 SER A 33 -4.725 2.217 14.107 1.00 54.12 H new ATOM 0 HG SER A 33 -5.358 4.073 15.347 1.00 63.40 H new ATOM 493 N LEU A 34 -1.696 3.241 14.175 1.00 23.55 N ATOM 494 CA LEU A 34 -0.421 2.753 14.696 1.00 54.31 C ATOM 495 C LEU A 34 -0.405 1.229 14.740 1.00 31.13 C ATOM 496 O LEU A 34 0.475 0.608 14.159 1.00 10.43 O ATOM 497 CB LEU A 34 -0.177 3.333 16.102 1.00 1.14 C ATOM 498 CG LEU A 34 0.457 4.736 16.107 1.00 41.02 C ATOM 499 CD1 LEU A 34 0.280 5.383 17.485 1.00 65.33 C ATOM 500 CD2 LEU A 34 1.951 4.684 15.769 1.00 30.14 C ATOM 0 H LEU A 34 -2.080 4.015 14.716 1.00 23.55 H new ATOM 0 HA LEU A 34 0.378 3.081 14.031 1.00 54.31 H new ATOM 0 HB2 LEU A 34 -1.127 3.374 16.635 1.00 1.14 H new ATOM 0 HB3 LEU A 34 0.470 2.653 16.656 1.00 1.14 H new ATOM 0 HG LEU A 34 -0.049 5.327 15.344 1.00 41.02 H new ATOM 0 HD11 LEU A 34 0.731 6.375 17.482 1.00 65.33 H new ATOM 0 HD12 LEU A 34 -0.782 5.468 17.713 1.00 65.33 H new ATOM 0 HD13 LEU A 34 0.766 4.767 18.241 1.00 65.33 H new ATOM 0 HD21 LEU A 34 2.362 5.693 15.783 1.00 30.14 H new ATOM 0 HD22 LEU A 34 2.470 4.071 16.506 1.00 30.14 H new ATOM 0 HD23 LEU A 34 2.085 4.251 14.778 1.00 30.14 H new ATOM 511 N THR A 35 -1.417 0.640 15.371 1.00 14.22 N ATOM 512 CA THR A 35 -1.455 -0.796 15.633 1.00 43.20 C ATOM 513 C THR A 35 -1.501 -1.594 14.324 1.00 21.55 C ATOM 514 O THR A 35 -0.720 -2.525 14.165 1.00 71.12 O ATOM 515 CB THR A 35 -2.628 -1.103 16.579 1.00 31.23 C ATOM 516 OG1 THR A 35 -2.485 -0.295 17.737 1.00 41.22 O ATOM 517 CG2 THR A 35 -2.697 -2.568 17.018 1.00 25.04 C ATOM 0 H THR A 35 -2.234 1.145 15.715 1.00 14.22 H new ATOM 0 HA THR A 35 -0.539 -1.111 16.132 1.00 43.20 H new ATOM 0 HB THR A 35 -3.547 -0.892 16.032 1.00 31.23 H new ATOM 0 HG1 THR A 35 -3.225 -0.474 18.354 1.00 41.22 H new ATOM 0 HG21 THR A 35 -3.549 -2.709 17.683 1.00 25.04 H new ATOM 0 HG22 THR A 35 -2.812 -3.205 16.141 1.00 25.04 H new ATOM 0 HG23 THR A 35 -1.779 -2.834 17.542 1.00 25.04 H new ATOM 525 N GLU A 36 -2.379 -1.224 13.385 1.00 72.44 N ATOM 526 CA GLU A 36 -2.513 -1.865 12.073 1.00 32.54 C ATOM 527 C GLU A 36 -1.211 -1.693 11.268 1.00 53.23 C ATOM 528 O GLU A 36 -0.640 -2.644 10.742 1.00 71.42 O ATOM 529 CB GLU A 36 -3.671 -1.189 11.315 1.00 24.53 C ATOM 530 CG GLU A 36 -5.092 -1.372 11.861 1.00 4.33 C ATOM 531 CD GLU A 36 -5.779 -2.727 11.634 1.00 12.32 C ATOM 532 OE1 GLU A 36 -5.820 -3.258 10.502 1.00 45.24 O ATOM 533 OE2 GLU A 36 -6.476 -3.165 12.575 1.00 52.50 O ATOM 0 H GLU A 36 -3.032 -0.452 13.520 1.00 72.44 H new ATOM 0 HA GLU A 36 -2.712 -2.929 12.202 1.00 32.54 H new ATOM 0 HB2 GLU A 36 -3.464 -0.120 11.274 1.00 24.53 H new ATOM 0 HB3 GLU A 36 -3.658 -1.556 10.289 1.00 24.53 H new ATOM 0 HG2 GLU A 36 -5.064 -1.187 12.935 1.00 4.33 H new ATOM 0 HG3 GLU A 36 -5.722 -0.599 11.420 1.00 4.33 H new ATOM 538 N ARG A 37 -0.729 -0.450 11.168 1.00 14.01 N ATOM 539 CA ARG A 37 0.400 -0.048 10.334 1.00 53.30 C ATOM 540 C ARG A 37 1.686 -0.727 10.791 1.00 63.11 C ATOM 541 O ARG A 37 2.522 -1.065 9.955 1.00 64.10 O ATOM 542 CB ARG A 37 0.512 1.483 10.405 1.00 10.11 C ATOM 543 CG ARG A 37 1.426 2.082 9.333 1.00 3.25 C ATOM 544 CD ARG A 37 1.312 3.611 9.327 1.00 70.11 C ATOM 545 NE ARG A 37 1.869 4.230 10.545 1.00 34.44 N ATOM 546 CZ ARG A 37 1.746 5.520 10.881 1.00 70.21 C ATOM 547 NH1 ARG A 37 0.874 6.306 10.262 1.00 50.13 N ATOM 548 NH2 ARG A 37 2.484 6.039 11.848 1.00 31.53 N ATOM 0 H ARG A 37 -1.132 0.330 11.687 1.00 14.01 H new ATOM 0 HA ARG A 37 0.239 -0.358 9.302 1.00 53.30 H new ATOM 0 HB2 ARG A 37 -0.483 1.917 10.305 1.00 10.11 H new ATOM 0 HB3 ARG A 37 0.886 1.766 11.389 1.00 10.11 H new ATOM 0 HG2 ARG A 37 2.459 1.789 9.521 1.00 3.25 H new ATOM 0 HG3 ARG A 37 1.156 1.687 8.354 1.00 3.25 H new ATOM 0 HD2 ARG A 37 1.831 4.006 8.454 1.00 70.11 H new ATOM 0 HD3 ARG A 37 0.264 3.892 9.229 1.00 70.11 H new ATOM 0 HE ARG A 37 2.389 3.627 11.182 1.00 34.44 H new ATOM 0 HH11 ARG A 37 0.286 5.929 9.519 1.00 50.13 H new ATOM 0 HH12 ARG A 37 0.792 7.287 10.529 1.00 50.13 H new ATOM 0 HH21 ARG A 37 3.156 5.455 12.346 1.00 31.53 H new ATOM 0 HH22 ARG A 37 2.382 7.023 12.095 1.00 31.53 H new ATOM 559 N SER A 38 1.828 -0.916 12.099 1.00 5.11 N ATOM 560 CA SER A 38 2.890 -1.663 12.735 1.00 41.43 C ATOM 561 C SER A 38 2.907 -3.088 12.173 1.00 45.33 C ATOM 562 O SER A 38 3.960 -3.547 11.734 1.00 45.11 O ATOM 563 CB SER A 38 2.623 -1.588 14.247 1.00 64.52 C ATOM 564 OG SER A 38 3.578 -2.222 15.060 1.00 30.24 O ATOM 0 H SER A 38 1.167 -0.529 12.773 1.00 5.11 H new ATOM 0 HA SER A 38 3.883 -1.259 12.539 1.00 41.43 H new ATOM 0 HB2 SER A 38 2.563 -0.539 14.537 1.00 64.52 H new ATOM 0 HB3 SER A 38 1.648 -2.031 14.449 1.00 64.52 H new ATOM 0 HG SER A 38 3.325 -2.120 16.001 1.00 30.24 H new ATOM 569 N GLN A 39 1.755 -3.770 12.100 1.00 41.03 N ATOM 570 CA GLN A 39 1.696 -5.143 11.602 1.00 12.12 C ATOM 571 C GLN A 39 2.190 -5.229 10.161 1.00 3.45 C ATOM 572 O GLN A 39 2.980 -6.127 9.853 1.00 34.35 O ATOM 573 CB GLN A 39 0.284 -5.736 11.689 1.00 50.23 C ATOM 574 CG GLN A 39 -0.287 -5.694 13.105 1.00 2.41 C ATOM 575 CD GLN A 39 -1.386 -6.721 13.331 1.00 30.25 C ATOM 576 OE1 GLN A 39 -1.263 -7.591 14.191 1.00 21.13 O ATOM 577 NE2 GLN A 39 -2.500 -6.638 12.634 1.00 41.12 N ATOM 0 H GLN A 39 0.852 -3.388 12.381 1.00 41.03 H new ATOM 0 HA GLN A 39 2.352 -5.728 12.247 1.00 12.12 H new ATOM 0 HB2 GLN A 39 -0.378 -5.188 11.018 1.00 50.23 H new ATOM 0 HB3 GLN A 39 0.306 -6.769 11.341 1.00 50.23 H new ATOM 0 HG2 GLN A 39 0.517 -5.866 13.821 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -0.682 -4.697 13.303 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -2.603 -5.916 11.920 1.00 41.12 H new ATOM 0 HE22 GLN A 39 -3.260 -7.295 12.808 1.00 41.12 H new ATOM 584 N ILE A 40 1.747 -4.312 9.296 1.00 52.43 N ATOM 585 CA ILE A 40 2.178 -4.265 7.904 1.00 32.32 C ATOM 586 C ILE A 40 3.699 -4.074 7.856 1.00 43.21 C ATOM 587 O ILE A 40 4.391 -4.806 7.147 1.00 25.21 O ATOM 588 CB ILE A 40 1.404 -3.156 7.150 1.00 51.24 C ATOM 589 CG1 ILE A 40 -0.116 -3.444 7.176 1.00 71.33 C ATOM 590 CG2 ILE A 40 1.890 -3.030 5.695 1.00 22.12 C ATOM 591 CD1 ILE A 40 -0.957 -2.338 6.530 1.00 25.52 C ATOM 0 H ILE A 40 1.079 -3.583 9.546 1.00 52.43 H new ATOM 0 HA ILE A 40 1.950 -5.203 7.398 1.00 32.32 H new ATOM 0 HB ILE A 40 1.596 -2.211 7.658 1.00 51.24 H new ATOM 0 HG12 ILE A 40 -0.309 -4.385 6.660 1.00 71.33 H new ATOM 0 HG13 ILE A 40 -0.435 -3.576 8.210 1.00 71.33 H new ATOM 0 HG21 ILE A 40 1.328 -2.244 5.191 1.00 22.12 H new ATOM 0 HG22 ILE A 40 2.951 -2.781 5.686 1.00 22.12 H new ATOM 0 HG23 ILE A 40 1.735 -3.976 5.176 1.00 22.12 H new ATOM 0 HD11 ILE A 40 -2.012 -2.605 6.583 1.00 25.52 H new ATOM 0 HD12 ILE A 40 -0.793 -1.400 7.060 1.00 25.52 H new ATOM 0 HD13 ILE A 40 -0.665 -2.221 5.487 1.00 25.52 H new ATOM 602 N ALA A 41 4.225 -3.096 8.602 1.00 43.44 N ATOM 603 CA ALA A 41 5.647 -2.791 8.618 1.00 73.34 C ATOM 604 C ALA A 41 6.480 -3.985 9.088 1.00 14.05 C ATOM 605 O ALA A 41 7.551 -4.243 8.532 1.00 45.30 O ATOM 606 CB ALA A 41 5.910 -1.545 9.470 1.00 65.32 C ATOM 0 H ALA A 41 3.669 -2.496 9.211 1.00 43.44 H new ATOM 0 HA ALA A 41 5.961 -2.579 7.596 1.00 73.34 H new ATOM 0 HB1 ALA A 41 6.978 -1.326 9.475 1.00 65.32 H new ATOM 0 HB2 ALA A 41 5.368 -0.697 9.052 1.00 65.32 H new ATOM 0 HB3 ALA A 41 5.572 -1.724 10.491 1.00 65.32 H new ATOM 612 N HIS A 42 6.000 -4.700 10.105 1.00 22.42 N ATOM 613 CA HIS A 42 6.657 -5.857 10.688 1.00 14.05 C ATOM 614 C HIS A 42 6.702 -7.009 9.690 1.00 31.33 C ATOM 615 O HIS A 42 7.796 -7.471 9.358 1.00 11.22 O ATOM 616 CB HIS A 42 5.964 -6.240 12.000 1.00 51.34 C ATOM 617 CG HIS A 42 6.328 -5.344 13.166 1.00 31.23 C ATOM 618 ND1 HIS A 42 6.370 -5.744 14.478 1.00 4.42 N ATOM 619 CD2 HIS A 42 6.739 -4.036 13.129 1.00 2.12 C ATOM 620 CE1 HIS A 42 6.804 -4.713 15.218 1.00 42.33 C ATOM 621 NE2 HIS A 42 7.086 -3.657 14.434 1.00 30.45 N ATOM 0 H HIS A 42 5.113 -4.478 10.557 1.00 22.42 H new ATOM 0 HA HIS A 42 7.692 -5.610 10.924 1.00 14.05 H new ATOM 0 HB2 HIS A 42 4.884 -6.209 11.853 1.00 51.34 H new ATOM 0 HB3 HIS A 42 6.222 -7.269 12.250 1.00 51.34 H new ATOM 0 HD2 HIS A 42 6.787 -3.409 12.251 1.00 2.12 H new ATOM 0 HE1 HIS A 42 6.912 -4.729 16.292 1.00 42.33 H new ATOM 0 HE2 HIS A 42 7.474 -2.761 14.729 1.00 30.45 H new ATOM 628 N ALA A 43 5.541 -7.454 9.205 1.00 4.04 N ATOM 629 CA ALA A 43 5.433 -8.599 8.313 1.00 14.32 C ATOM 630 C ALA A 43 6.257 -8.371 7.047 1.00 42.44 C ATOM 631 O ALA A 43 7.109 -9.188 6.681 1.00 25.23 O ATOM 632 CB ALA A 43 3.959 -8.827 7.961 1.00 72.10 C ATOM 0 H ALA A 43 4.644 -7.022 9.425 1.00 4.04 H new ATOM 0 HA ALA A 43 5.825 -9.484 8.814 1.00 14.32 H new ATOM 0 HB1 ALA A 43 3.873 -9.684 7.293 1.00 72.10 H new ATOM 0 HB2 ALA A 43 3.393 -9.019 8.872 1.00 72.10 H new ATOM 0 HB3 ALA A 43 3.562 -7.940 7.467 1.00 72.10 H new ATOM 638 N LEU A 44 5.991 -7.256 6.366 1.00 12.42 N ATOM 639 CA LEU A 44 6.480 -7.015 5.019 1.00 22.53 C ATOM 640 C LEU A 44 7.875 -6.394 4.996 1.00 45.33 C ATOM 641 O LEU A 44 8.360 -6.107 3.906 1.00 62.24 O ATOM 642 CB LEU A 44 5.490 -6.123 4.254 1.00 41.22 C ATOM 643 CG LEU A 44 4.058 -6.669 4.110 1.00 3.42 C ATOM 644 CD1 LEU A 44 3.240 -5.667 3.293 1.00 34.15 C ATOM 645 CD2 LEU A 44 4.017 -8.034 3.408 1.00 72.52 C ATOM 0 H LEU A 44 5.426 -6.494 6.741 1.00 12.42 H new ATOM 0 HA LEU A 44 6.560 -7.986 4.530 1.00 22.53 H new ATOM 0 HB2 LEU A 44 5.440 -5.157 4.756 1.00 41.22 H new ATOM 0 HB3 LEU A 44 5.891 -5.943 3.256 1.00 41.22 H new ATOM 0 HG LEU A 44 3.647 -6.803 5.110 1.00 3.42 H new ATOM 0 HD11 LEU A 44 2.221 -6.036 3.180 1.00 34.15 H new ATOM 0 HD12 LEU A 44 3.223 -4.706 3.807 1.00 34.15 H new ATOM 0 HD13 LEU A 44 3.693 -5.544 2.309 1.00 34.15 H new ATOM 0 HD21 LEU A 44 2.984 -8.373 3.332 1.00 72.52 H new ATOM 0 HD22 LEU A 44 4.443 -7.942 2.409 1.00 72.52 H new ATOM 0 HD23 LEU A 44 4.595 -8.757 3.984 1.00 72.52 H new ATOM 656 N LYS A 45 8.542 -6.167 6.137 1.00 3.31 N ATOM 657 CA LYS A 45 9.840 -5.475 6.194 1.00 32.41 C ATOM 658 C LYS A 45 9.770 -4.103 5.515 1.00 70.42 C ATOM 659 O LYS A 45 10.622 -3.724 4.698 1.00 54.23 O ATOM 660 CB LYS A 45 10.939 -6.367 5.600 1.00 2.05 C ATOM 661 CG LYS A 45 12.343 -5.969 6.073 1.00 50.30 C ATOM 662 CD LYS A 45 13.413 -6.722 5.270 1.00 22.20 C ATOM 663 CE LYS A 45 13.523 -8.166 5.761 1.00 41.11 C ATOM 664 NZ LYS A 45 14.318 -8.272 7.003 1.00 1.43 N ATOM 0 H LYS A 45 8.196 -6.459 7.051 1.00 3.31 H new ATOM 0 HA LYS A 45 10.094 -5.288 7.237 1.00 32.41 H new ATOM 0 HB2 LYS A 45 10.748 -7.404 5.875 1.00 2.05 H new ATOM 0 HB3 LYS A 45 10.897 -6.313 4.512 1.00 2.05 H new ATOM 0 HG2 LYS A 45 12.482 -4.894 5.957 1.00 50.30 H new ATOM 0 HG3 LYS A 45 12.453 -6.191 7.134 1.00 50.30 H new ATOM 0 HD2 LYS A 45 13.159 -6.709 4.210 1.00 22.20 H new ATOM 0 HD3 LYS A 45 14.375 -6.221 5.373 1.00 22.20 H new ATOM 0 HE2 LYS A 45 12.524 -8.566 5.935 1.00 41.11 H new ATOM 0 HE3 LYS A 45 13.981 -8.779 4.984 1.00 41.11 H new ATOM 0 HZ1 LYS A 45 14.381 -9.269 7.291 1.00 1.43 H new ATOM 0 HZ2 LYS A 45 15.274 -7.899 6.836 1.00 1.43 H new ATOM 0 HZ3 LYS A 45 13.859 -7.723 7.757 1.00 1.43 H new ATOM 674 N LEU A 46 8.722 -3.354 5.825 1.00 3.15 N ATOM 675 CA LEU A 46 8.581 -1.958 5.474 1.00 63.32 C ATOM 676 C LEU A 46 8.898 -1.161 6.727 1.00 65.43 C ATOM 677 O LEU A 46 9.247 -1.704 7.774 1.00 21.42 O ATOM 678 CB LEU A 46 7.153 -1.721 4.962 1.00 14.12 C ATOM 679 CG LEU A 46 6.901 -2.389 3.603 1.00 13.43 C ATOM 680 CD1 LEU A 46 5.400 -2.557 3.382 1.00 4.45 C ATOM 681 CD2 LEU A 46 7.534 -1.621 2.440 1.00 52.12 C ATOM 0 H LEU A 46 7.923 -3.718 6.345 1.00 3.15 H new ATOM 0 HA LEU A 46 9.257 -1.648 4.678 1.00 63.32 H new ATOM 0 HB2 LEU A 46 6.440 -2.106 5.691 1.00 14.12 H new ATOM 0 HB3 LEU A 46 6.974 -0.649 4.876 1.00 14.12 H new ATOM 0 HG LEU A 46 7.381 -3.367 3.626 1.00 13.43 H new ATOM 0 HD11 LEU A 46 5.225 -3.031 2.416 1.00 4.45 H new ATOM 0 HD12 LEU A 46 4.983 -3.180 4.173 1.00 4.45 H new ATOM 0 HD13 LEU A 46 4.918 -1.579 3.398 1.00 4.45 H new ATOM 0 HD21 LEU A 46 7.324 -2.139 1.504 1.00 52.12 H new ATOM 0 HD22 LEU A 46 7.117 -0.615 2.399 1.00 52.12 H new ATOM 0 HD23 LEU A 46 8.612 -1.562 2.587 1.00 52.12 H new ATOM 692 N SER A 47 8.759 0.146 6.616 1.00 11.11 N ATOM 693 CA SER A 47 8.667 1.029 7.765 1.00 32.44 C ATOM 694 C SER A 47 7.342 1.763 7.655 1.00 10.32 C ATOM 695 O SER A 47 6.792 1.914 6.562 1.00 3.05 O ATOM 696 CB SER A 47 9.861 1.986 7.837 1.00 34.24 C ATOM 697 OG SER A 47 11.066 1.296 8.110 1.00 74.24 O ATOM 0 H SER A 47 8.706 0.630 5.719 1.00 11.11 H new ATOM 0 HA SER A 47 8.701 0.460 8.694 1.00 32.44 H new ATOM 0 HB2 SER A 47 9.955 2.523 6.893 1.00 34.24 H new ATOM 0 HB3 SER A 47 9.684 2.732 8.612 1.00 34.24 H new ATOM 0 HG SER A 47 11.808 1.935 8.148 1.00 74.24 H new ATOM 702 N GLU A 48 6.835 2.240 8.783 1.00 34.12 N ATOM 703 CA GLU A 48 5.501 2.813 8.900 1.00 74.54 C ATOM 704 C GLU A 48 5.310 4.013 7.969 1.00 72.40 C ATOM 705 O GLU A 48 4.200 4.245 7.504 1.00 71.24 O ATOM 706 CB GLU A 48 5.296 3.235 10.351 1.00 43.31 C ATOM 707 CG GLU A 48 5.104 2.014 11.263 1.00 43.31 C ATOM 708 CD GLU A 48 5.553 2.368 12.671 1.00 61.12 C ATOM 709 OE1 GLU A 48 6.765 2.612 12.849 1.00 30.12 O ATOM 710 OE2 GLU A 48 4.668 2.519 13.544 1.00 33.52 O ATOM 0 H GLU A 48 7.351 2.239 9.663 1.00 34.12 H new ATOM 0 HA GLU A 48 4.765 2.065 8.605 1.00 74.54 H new ATOM 0 HB2 GLU A 48 6.156 3.813 10.689 1.00 43.31 H new ATOM 0 HB3 GLU A 48 4.425 3.887 10.423 1.00 43.31 H new ATOM 0 HG2 GLU A 48 4.057 1.709 11.268 1.00 43.31 H new ATOM 0 HG3 GLU A 48 5.680 1.169 10.886 1.00 43.31 H new ATOM 715 N VAL A 49 6.386 4.734 7.653 1.00 51.21 N ATOM 716 CA VAL A 49 6.421 5.853 6.716 1.00 41.10 C ATOM 717 C VAL A 49 6.182 5.344 5.303 1.00 73.34 C ATOM 718 O VAL A 49 5.374 5.924 4.585 1.00 13.44 O ATOM 719 CB VAL A 49 7.779 6.570 6.854 1.00 23.32 C ATOM 720 CG1 VAL A 49 8.112 7.521 5.697 1.00 52.23 C ATOM 721 CG2 VAL A 49 7.744 7.404 8.134 1.00 34.45 C ATOM 0 H VAL A 49 7.300 4.543 8.064 1.00 51.21 H new ATOM 0 HA VAL A 49 5.632 6.571 6.939 1.00 41.10 H new ATOM 0 HB VAL A 49 8.542 5.792 6.861 1.00 23.32 H new ATOM 0 HG11 VAL A 49 9.083 7.983 5.874 1.00 52.23 H new ATOM 0 HG12 VAL A 49 8.141 6.961 4.762 1.00 52.23 H new ATOM 0 HG13 VAL A 49 7.348 8.296 5.632 1.00 52.23 H new ATOM 0 HG21 VAL A 49 8.695 7.923 8.256 1.00 34.45 H new ATOM 0 HG22 VAL A 49 6.937 8.134 8.070 1.00 34.45 H new ATOM 0 HG23 VAL A 49 7.575 6.750 8.990 1.00 34.45 H new ATOM 731 N GLN A 50 6.841 4.258 4.898 1.00 24.45 N ATOM 732 CA GLN A 50 6.647 3.669 3.582 1.00 52.33 C ATOM 733 C GLN A 50 5.176 3.280 3.435 1.00 45.14 C ATOM 734 O GLN A 50 4.555 3.576 2.410 1.00 14.43 O ATOM 735 CB GLN A 50 7.562 2.448 3.389 1.00 73.51 C ATOM 736 CG GLN A 50 8.989 2.638 3.926 1.00 25.53 C ATOM 737 CD GLN A 50 9.962 1.644 3.315 1.00 63.30 C ATOM 738 OE1 GLN A 50 9.727 0.440 3.338 1.00 33.51 O ATOM 739 NE2 GLN A 50 11.050 2.115 2.736 1.00 1.15 N ATOM 0 H GLN A 50 7.523 3.766 5.476 1.00 24.45 H new ATOM 0 HA GLN A 50 6.911 4.394 2.812 1.00 52.33 H new ATOM 0 HB2 GLN A 50 7.111 1.588 3.885 1.00 73.51 H new ATOM 0 HB3 GLN A 50 7.614 2.212 2.326 1.00 73.51 H new ATOM 0 HG2 GLN A 50 9.325 3.653 3.713 1.00 25.53 H new ATOM 0 HG3 GLN A 50 8.987 2.524 5.010 1.00 25.53 H new ATOM 0 HE21 GLN A 50 11.229 3.119 2.727 1.00 1.15 H new ATOM 0 HE22 GLN A 50 11.712 1.475 2.298 1.00 1.15 H new ATOM 746 N VAL A 51 4.613 2.679 4.491 1.00 23.45 N ATOM 747 CA VAL A 51 3.211 2.277 4.490 1.00 24.12 C ATOM 748 C VAL A 51 2.358 3.545 4.384 1.00 54.30 C ATOM 749 O VAL A 51 1.499 3.654 3.510 1.00 13.05 O ATOM 750 CB VAL A 51 2.879 1.408 5.725 1.00 1.01 C ATOM 751 CG1 VAL A 51 1.436 0.893 5.646 1.00 62.51 C ATOM 752 CG2 VAL A 51 3.793 0.178 5.851 1.00 71.41 C ATOM 0 H VAL A 51 5.111 2.463 5.354 1.00 23.45 H new ATOM 0 HA VAL A 51 2.988 1.642 3.633 1.00 24.12 H new ATOM 0 HB VAL A 51 3.027 2.054 6.590 1.00 1.01 H new ATOM 0 HG11 VAL A 51 1.219 0.283 6.523 1.00 62.51 H new ATOM 0 HG12 VAL A 51 0.749 1.739 5.613 1.00 62.51 H new ATOM 0 HG13 VAL A 51 1.313 0.291 4.746 1.00 62.51 H new ATOM 0 HG21 VAL A 51 3.513 -0.394 6.736 1.00 71.41 H new ATOM 0 HG22 VAL A 51 3.685 -0.448 4.965 1.00 71.41 H new ATOM 0 HG23 VAL A 51 4.830 0.503 5.942 1.00 71.41 H new ATOM 762 N LYS A 52 2.611 4.533 5.248 1.00 74.54 N ATOM 763 CA LYS A 52 1.874 5.784 5.314 1.00 13.23 C ATOM 764 C LYS A 52 1.839 6.458 3.949 1.00 73.44 C ATOM 765 O LYS A 52 0.738 6.696 3.458 1.00 73.14 O ATOM 766 CB LYS A 52 2.467 6.684 6.412 1.00 73.31 C ATOM 767 CG LYS A 52 1.646 7.965 6.560 1.00 11.24 C ATOM 768 CD LYS A 52 2.112 8.848 7.727 1.00 11.23 C ATOM 769 CE LYS A 52 2.348 10.265 7.208 1.00 52.43 C ATOM 770 NZ LYS A 52 2.613 11.220 8.293 1.00 1.21 N ATOM 0 H LYS A 52 3.359 4.475 5.939 1.00 74.54 H new ATOM 0 HA LYS A 52 0.837 5.585 5.586 1.00 13.23 H new ATOM 0 HB2 LYS A 52 2.486 6.146 7.360 1.00 73.31 H new ATOM 0 HB3 LYS A 52 3.499 6.934 6.167 1.00 73.31 H new ATOM 0 HG2 LYS A 52 1.705 8.536 5.634 1.00 11.24 H new ATOM 0 HG3 LYS A 52 0.598 7.703 6.706 1.00 11.24 H new ATOM 0 HD2 LYS A 52 1.362 8.856 8.518 1.00 11.23 H new ATOM 0 HD3 LYS A 52 3.028 8.447 8.161 1.00 11.23 H new ATOM 0 HE2 LYS A 52 3.191 10.261 6.517 1.00 52.43 H new ATOM 0 HE3 LYS A 52 1.475 10.593 6.644 1.00 52.43 H new ATOM 0 HZ1 LYS A 52 2.767 12.167 7.892 1.00 1.21 H new ATOM 0 HZ2 LYS A 52 1.799 11.246 8.939 1.00 1.21 H new ATOM 0 HZ3 LYS A 52 3.461 10.924 8.817 1.00 1.21 H new ATOM 780 N ILE A 53 2.992 6.765 3.347 1.00 12.05 N ATOM 781 CA ILE A 53 3.107 7.488 2.085 1.00 63.10 C ATOM 782 C ILE A 53 2.369 6.722 0.985 1.00 3.43 C ATOM 783 O ILE A 53 1.575 7.334 0.263 1.00 43.40 O ATOM 784 CB ILE A 53 4.599 7.708 1.714 1.00 64.33 C ATOM 785 CG1 ILE A 53 5.338 8.588 2.749 1.00 70.23 C ATOM 786 CG2 ILE A 53 4.713 8.393 0.336 1.00 1.03 C ATOM 787 CD1 ILE A 53 6.855 8.606 2.560 1.00 42.10 C ATOM 0 H ILE A 53 3.897 6.507 3.740 1.00 12.05 H new ATOM 0 HA ILE A 53 2.648 8.471 2.192 1.00 63.10 H new ATOM 0 HB ILE A 53 5.062 6.721 1.697 1.00 64.33 H new ATOM 0 HG12 ILE A 53 4.959 9.608 2.684 1.00 70.23 H new ATOM 0 HG13 ILE A 53 5.109 8.227 3.751 1.00 70.23 H new ATOM 0 HG21 ILE A 53 5.764 8.541 0.089 1.00 1.03 H new ATOM 0 HG22 ILE A 53 4.247 7.764 -0.423 1.00 1.03 H new ATOM 0 HG23 ILE A 53 4.208 9.359 0.367 1.00 1.03 H new ATOM 0 HD11 ILE A 53 7.309 9.242 3.320 1.00 42.10 H new ATOM 0 HD12 ILE A 53 7.246 7.593 2.655 1.00 42.10 H new ATOM 0 HD13 ILE A 53 7.094 8.996 1.570 1.00 42.10 H new ATOM 798 N TRP A 54 2.626 5.417 0.835 1.00 70.41 N ATOM 799 CA TRP A 54 2.019 4.647 -0.246 1.00 2.21 C ATOM 800 C TRP A 54 0.500 4.660 -0.099 1.00 44.41 C ATOM 801 O TRP A 54 -0.215 5.036 -1.031 1.00 34.35 O ATOM 802 CB TRP A 54 2.549 3.212 -0.291 1.00 43.11 C ATOM 803 CG TRP A 54 2.037 2.442 -1.466 1.00 51.23 C ATOM 804 CD1 TRP A 54 2.636 2.340 -2.673 1.00 42.01 C ATOM 805 CD2 TRP A 54 0.799 1.680 -1.571 1.00 41.44 C ATOM 806 NE1 TRP A 54 1.854 1.566 -3.510 1.00 24.21 N ATOM 807 CE2 TRP A 54 0.719 1.112 -2.873 1.00 12.13 C ATOM 808 CE3 TRP A 54 -0.245 1.381 -0.675 1.00 53.33 C ATOM 809 CZ2 TRP A 54 -0.340 0.273 -3.253 1.00 25.22 C ATOM 810 CZ3 TRP A 54 -1.319 0.557 -1.043 1.00 70.53 C ATOM 811 CH2 TRP A 54 -1.367 0.004 -2.334 1.00 32.32 C ATOM 0 H TRP A 54 3.244 4.881 1.444 1.00 70.41 H new ATOM 0 HA TRP A 54 2.292 5.117 -1.191 1.00 2.21 H new ATOM 0 HB2 TRP A 54 3.638 3.233 -0.323 1.00 43.11 H new ATOM 0 HB3 TRP A 54 2.266 2.696 0.627 1.00 43.11 H new ATOM 0 HD1 TRP A 54 3.579 2.793 -2.942 1.00 42.01 H new ATOM 0 HE1 TRP A 54 2.088 1.356 -4.480 1.00 24.21 H new ATOM 0 HE3 TRP A 54 -0.218 1.797 0.321 1.00 53.33 H new ATOM 0 HZ2 TRP A 54 -0.365 -0.161 -4.242 1.00 25.22 H new ATOM 0 HZ3 TRP A 54 -2.108 0.348 -0.335 1.00 70.53 H new ATOM 0 HH2 TRP A 54 -2.195 -0.628 -2.620 1.00 32.32 H new ATOM 821 N PHE A 55 -0.001 4.317 1.095 1.00 61.32 N ATOM 822 CA PHE A 55 -1.431 4.346 1.350 1.00 12.05 C ATOM 823 C PHE A 55 -1.963 5.759 1.122 1.00 72.34 C ATOM 824 O PHE A 55 -3.031 5.893 0.549 1.00 34.41 O ATOM 825 CB PHE A 55 -1.790 3.838 2.754 1.00 3.13 C ATOM 826 CG PHE A 55 -1.952 2.333 2.888 1.00 13.42 C ATOM 827 CD1 PHE A 55 -0.834 1.478 2.846 1.00 44.10 C ATOM 828 CD2 PHE A 55 -3.237 1.780 3.076 1.00 42.12 C ATOM 829 CE1 PHE A 55 -0.997 0.090 2.964 1.00 25.44 C ATOM 830 CE2 PHE A 55 -3.400 0.389 3.201 1.00 41.24 C ATOM 831 CZ PHE A 55 -2.277 -0.452 3.134 1.00 73.21 C ATOM 0 H PHE A 55 0.566 4.019 1.889 1.00 61.32 H new ATOM 0 HA PHE A 55 -1.909 3.662 0.649 1.00 12.05 H new ATOM 0 HB2 PHE A 55 -1.015 4.165 3.448 1.00 3.13 H new ATOM 0 HB3 PHE A 55 -2.719 4.314 3.066 1.00 3.13 H new ATOM 0 HD1 PHE A 55 0.155 1.894 2.722 1.00 44.10 H new ATOM 0 HD2 PHE A 55 -4.099 2.429 3.124 1.00 42.12 H new ATOM 0 HE1 PHE A 55 -0.136 -0.560 2.924 1.00 25.44 H new ATOM 0 HE2 PHE A 55 -4.384 -0.031 3.348 1.00 41.24 H new ATOM 0 HZ PHE A 55 -2.401 -1.522 3.214 1.00 73.21 H new ATOM 840 N GLN A 56 -1.255 6.821 1.520 1.00 4.21 N ATOM 841 CA GLN A 56 -1.663 8.205 1.286 1.00 74.10 C ATOM 842 C GLN A 56 -1.811 8.515 -0.209 1.00 71.33 C ATOM 843 O GLN A 56 -2.762 9.204 -0.586 1.00 72.32 O ATOM 844 CB GLN A 56 -0.691 9.186 1.982 1.00 3.24 C ATOM 845 CG GLN A 56 -1.139 9.546 3.407 1.00 31.11 C ATOM 846 CD GLN A 56 -0.745 10.966 3.818 1.00 25.42 C ATOM 847 OE1 GLN A 56 -1.521 11.915 3.692 1.00 24.52 O ATOM 848 NE2 GLN A 56 0.432 11.148 4.382 1.00 73.33 N ATOM 0 H GLN A 56 -0.370 6.739 2.021 1.00 4.21 H new ATOM 0 HA GLN A 56 -2.650 8.339 1.729 1.00 74.10 H new ATOM 0 HB2 GLN A 56 0.304 8.742 2.019 1.00 3.24 H new ATOM 0 HB3 GLN A 56 -0.612 10.097 1.388 1.00 3.24 H new ATOM 0 HG2 GLN A 56 -2.221 9.440 3.479 1.00 31.11 H new ATOM 0 HG3 GLN A 56 -0.702 8.836 4.109 1.00 31.11 H new ATOM 0 HE21 GLN A 56 1.074 10.363 4.486 1.00 73.33 H new ATOM 0 HE22 GLN A 56 0.701 12.074 4.714 1.00 73.33 H new ATOM 855 N ASN A 57 -0.937 7.999 -1.078 1.00 33.25 N ATOM 856 CA ASN A 57 -1.076 8.149 -2.519 1.00 63.44 C ATOM 857 C ASN A 57 -2.351 7.430 -2.982 1.00 64.10 C ATOM 858 O ASN A 57 -3.203 8.020 -3.649 1.00 43.21 O ATOM 859 CB ASN A 57 0.192 7.621 -3.217 1.00 34.42 C ATOM 860 CG ASN A 57 1.261 8.693 -3.422 1.00 41.22 C ATOM 861 OD1 ASN A 57 0.962 9.802 -3.866 1.00 24.33 O ATOM 862 ND2 ASN A 57 2.523 8.416 -3.136 1.00 10.15 N ATOM 0 H ASN A 57 -0.114 7.466 -0.796 1.00 33.25 H new ATOM 0 HA ASN A 57 -1.177 9.200 -2.790 1.00 63.44 H new ATOM 0 HB2 ASN A 57 0.612 6.808 -2.625 1.00 34.42 H new ATOM 0 HB3 ASN A 57 -0.083 7.202 -4.185 1.00 34.42 H new ATOM 0 HD21 ASN A 57 3.246 9.120 -3.283 1.00 10.15 H new ATOM 0 HD22 ASN A 57 2.773 7.498 -2.768 1.00 10.15 H new ATOM 868 N ARG A 58 -2.531 6.173 -2.565 1.00 74.12 N ATOM 869 CA ARG A 58 -3.734 5.379 -2.831 1.00 24.21 C ATOM 870 C ARG A 58 -5.021 6.050 -2.343 1.00 13.24 C ATOM 871 O ARG A 58 -6.031 6.013 -3.053 1.00 64.40 O ATOM 872 CB ARG A 58 -3.538 3.983 -2.229 1.00 31.24 C ATOM 873 CG ARG A 58 -2.846 3.035 -3.228 1.00 34.54 C ATOM 874 CD ARG A 58 -3.842 1.960 -3.668 1.00 30.51 C ATOM 875 NE ARG A 58 -3.305 1.044 -4.687 1.00 1.34 N ATOM 876 CZ ARG A 58 -3.907 -0.070 -5.126 1.00 51.10 C ATOM 877 NH1 ARG A 58 -5.081 -0.424 -4.615 1.00 3.41 N ATOM 878 NH2 ARG A 58 -3.332 -0.817 -6.058 1.00 43.23 N ATOM 0 H ARG A 58 -1.830 5.669 -2.022 1.00 74.12 H new ATOM 0 HA ARG A 58 -3.865 5.295 -3.910 1.00 24.21 H new ATOM 0 HB2 ARG A 58 -2.940 4.057 -1.321 1.00 31.24 H new ATOM 0 HB3 ARG A 58 -4.505 3.569 -1.942 1.00 31.24 H new ATOM 0 HG2 ARG A 58 -2.490 3.595 -4.093 1.00 34.54 H new ATOM 0 HG3 ARG A 58 -1.974 2.573 -2.766 1.00 34.54 H new ATOM 0 HD2 ARG A 58 -4.149 1.382 -2.797 1.00 30.51 H new ATOM 0 HD3 ARG A 58 -4.736 2.444 -4.061 1.00 30.51 H new ATOM 0 HE ARG A 58 -2.399 1.276 -5.093 1.00 1.34 H new ATOM 0 HH11 ARG A 58 -5.518 0.151 -3.894 1.00 3.41 H new ATOM 0 HH12 ARG A 58 -5.546 -1.270 -4.944 1.00 3.41 H new ATOM 0 HH21 ARG A 58 -2.428 -0.545 -6.444 1.00 43.23 H new ATOM 0 HH22 ARG A 58 -3.794 -1.664 -6.389 1.00 43.23 H new ATOM 889 N ARG A 59 -5.015 6.671 -1.159 1.00 52.14 N ATOM 890 CA ARG A 59 -6.159 7.385 -0.591 1.00 71.11 C ATOM 891 C ARG A 59 -6.597 8.495 -1.535 1.00 33.32 C ATOM 892 O ARG A 59 -7.796 8.626 -1.791 1.00 63.13 O ATOM 893 CB ARG A 59 -5.851 7.971 0.806 1.00 33.54 C ATOM 894 CG ARG A 59 -5.778 6.914 1.924 1.00 45.14 C ATOM 895 CD ARG A 59 -6.155 7.465 3.303 1.00 2.05 C ATOM 896 NE ARG A 59 -5.048 8.007 4.110 1.00 71.12 N ATOM 897 CZ ARG A 59 -5.241 8.717 5.233 1.00 1.04 C ATOM 898 NH1 ARG A 59 -6.465 9.071 5.614 1.00 62.13 N ATOM 899 NH2 ARG A 59 -4.226 9.066 6.007 1.00 42.20 N ATOM 0 H ARG A 59 -4.193 6.690 -0.555 1.00 52.14 H new ATOM 0 HA ARG A 59 -6.966 6.662 -0.469 1.00 71.11 H new ATOM 0 HB2 ARG A 59 -4.903 8.507 0.763 1.00 33.54 H new ATOM 0 HB3 ARG A 59 -6.619 8.702 1.060 1.00 33.54 H new ATOM 0 HG2 ARG A 59 -6.443 6.087 1.677 1.00 45.14 H new ATOM 0 HG3 ARG A 59 -4.767 6.509 1.966 1.00 45.14 H new ATOM 0 HD2 ARG A 59 -6.897 8.252 3.167 1.00 2.05 H new ATOM 0 HD3 ARG A 59 -6.635 6.668 3.871 1.00 2.05 H new ATOM 0 HE ARG A 59 -4.091 7.835 3.801 1.00 71.12 H new ATOM 0 HH11 ARG A 59 -7.272 8.803 5.051 1.00 62.13 H new ATOM 0 HH12 ARG A 59 -6.597 9.610 6.470 1.00 62.13 H new ATOM 0 HH21 ARG A 59 -3.276 8.795 5.754 1.00 42.20 H new ATOM 0 HH22 ARG A 59 -4.394 9.606 6.856 1.00 42.20 H new ATOM 910 N ALA A 60 -5.644 9.275 -2.052 1.00 3.43 N ATOM 911 CA ALA A 60 -5.932 10.422 -2.896 1.00 4.22 C ATOM 912 C ALA A 60 -6.703 10.007 -4.148 1.00 53.30 C ATOM 913 O ALA A 60 -7.717 10.630 -4.471 1.00 71.51 O ATOM 914 CB ALA A 60 -4.634 11.158 -3.240 1.00 50.32 C ATOM 0 H ALA A 60 -4.648 9.122 -1.892 1.00 3.43 H new ATOM 0 HA ALA A 60 -6.574 11.111 -2.347 1.00 4.22 H new ATOM 0 HB1 ALA A 60 -4.859 12.016 -3.873 1.00 50.32 H new ATOM 0 HB2 ALA A 60 -4.155 11.500 -2.322 1.00 50.32 H new ATOM 0 HB3 ALA A 60 -3.962 10.483 -3.770 1.00 50.32 H new ATOM 920 N LYS A 61 -6.263 8.956 -4.847 1.00 65.42 N ATOM 921 CA LYS A 61 -7.027 8.441 -5.981 1.00 63.32 C ATOM 922 C LYS A 61 -8.376 7.915 -5.506 1.00 51.04 C ATOM 923 O LYS A 61 -9.390 8.237 -6.120 1.00 61.44 O ATOM 924 CB LYS A 61 -6.226 7.386 -6.763 1.00 34.23 C ATOM 925 CG LYS A 61 -7.151 6.537 -7.660 1.00 32.55 C ATOM 926 CD LYS A 61 -6.422 5.598 -8.619 1.00 41.30 C ATOM 927 CE LYS A 61 -5.929 6.342 -9.856 1.00 50.03 C ATOM 928 NZ LYS A 61 -5.338 5.405 -10.821 1.00 24.43 N ATOM 0 H LYS A 61 -5.397 8.454 -4.650 1.00 65.42 H new ATOM 0 HA LYS A 61 -7.217 9.257 -6.678 1.00 63.32 H new ATOM 0 HB2 LYS A 61 -5.472 7.879 -7.377 1.00 34.23 H new ATOM 0 HB3 LYS A 61 -5.695 6.738 -6.066 1.00 34.23 H new ATOM 0 HG2 LYS A 61 -7.809 5.945 -7.024 1.00 32.55 H new ATOM 0 HG3 LYS A 61 -7.786 7.206 -8.241 1.00 32.55 H new ATOM 0 HD2 LYS A 61 -5.576 5.138 -8.108 1.00 41.30 H new ATOM 0 HD3 LYS A 61 -7.090 4.791 -8.920 1.00 41.30 H new ATOM 0 HE2 LYS A 61 -6.758 6.876 -10.320 1.00 50.03 H new ATOM 0 HE3 LYS A 61 -5.190 7.089 -9.567 1.00 50.03 H new ATOM 0 HZ1 LYS A 61 -5.008 5.929 -11.656 1.00 24.43 H new ATOM 0 HZ2 LYS A 61 -4.534 4.914 -10.380 1.00 24.43 H new ATOM 0 HZ3 LYS A 61 -6.053 4.707 -11.110 1.00 24.43 H new ATOM 938 N TRP A 62 -8.414 7.106 -4.442 1.00 31.33 N ATOM 939 CA TRP A 62 -9.641 6.417 -4.048 1.00 12.35 C ATOM 940 C TRP A 62 -10.776 7.411 -3.817 1.00 22.51 C ATOM 941 O TRP A 62 -11.868 7.201 -4.344 1.00 4.11 O ATOM 942 CB TRP A 62 -9.422 5.543 -2.811 1.00 10.01 C ATOM 943 CG TRP A 62 -10.675 4.992 -2.194 1.00 11.24 C ATOM 944 CD1 TRP A 62 -11.610 4.235 -2.814 1.00 54.42 C ATOM 945 CD2 TRP A 62 -11.210 5.256 -0.866 1.00 63.43 C ATOM 946 NE1 TRP A 62 -12.648 3.960 -1.941 1.00 44.02 N ATOM 947 CE2 TRP A 62 -12.457 4.577 -0.724 1.00 65.23 C ATOM 948 CE3 TRP A 62 -10.787 6.055 0.215 1.00 32.55 C ATOM 949 CZ2 TRP A 62 -13.234 4.666 0.443 1.00 44.11 C ATOM 950 CZ3 TRP A 62 -11.564 6.152 1.379 1.00 23.13 C ATOM 951 CH2 TRP A 62 -12.786 5.480 1.498 1.00 25.24 C ATOM 0 H TRP A 62 -7.611 6.915 -3.842 1.00 31.33 H new ATOM 0 HA TRP A 62 -9.926 5.760 -4.870 1.00 12.35 H new ATOM 0 HB2 TRP A 62 -8.772 4.711 -3.083 1.00 10.01 H new ATOM 0 HB3 TRP A 62 -8.892 6.129 -2.060 1.00 10.01 H new ATOM 0 HD1 TRP A 62 -11.554 3.896 -3.838 1.00 54.42 H new ATOM 0 HE1 TRP A 62 -13.452 3.375 -2.169 1.00 44.02 H new ATOM 0 HE3 TRP A 62 -9.856 6.598 0.147 1.00 32.55 H new ATOM 0 HZ2 TRP A 62 -14.161 4.118 0.528 1.00 44.11 H new ATOM 0 HZ3 TRP A 62 -11.212 6.758 2.201 1.00 23.13 H new ATOM 0 HH2 TRP A 62 -13.380 5.586 2.394 1.00 25.24 H new ATOM 961 N LYS A 63 -10.523 8.517 -3.107 1.00 5.04 N ATOM 962 CA LYS A 63 -11.526 9.562 -2.927 1.00 50.24 C ATOM 963 C LYS A 63 -12.095 10.021 -4.272 1.00 13.35 C ATOM 964 O LYS A 63 -13.311 10.192 -4.367 1.00 22.54 O ATOM 965 CB LYS A 63 -10.914 10.771 -2.196 1.00 32.53 C ATOM 966 CG LYS A 63 -10.718 10.576 -0.682 1.00 5.32 C ATOM 967 CD LYS A 63 -11.624 11.513 0.139 1.00 31.12 C ATOM 968 CE LYS A 63 -13.084 11.042 0.088 1.00 13.03 C ATOM 969 NZ LYS A 63 -14.070 12.103 0.373 1.00 65.41 N ATOM 0 H LYS A 63 -9.631 8.707 -2.650 1.00 5.04 H new ATOM 0 HA LYS A 63 -12.335 9.143 -2.329 1.00 50.24 H new ATOM 0 HB2 LYS A 63 -9.948 11.000 -2.647 1.00 32.53 H new ATOM 0 HB3 LYS A 63 -11.555 11.638 -2.357 1.00 32.53 H new ATOM 0 HG2 LYS A 63 -10.933 9.540 -0.418 1.00 5.32 H new ATOM 0 HG3 LYS A 63 -9.675 10.761 -0.424 1.00 5.32 H new ATOM 0 HD2 LYS A 63 -11.282 11.542 1.174 1.00 31.12 H new ATOM 0 HD3 LYS A 63 -11.551 12.529 -0.249 1.00 31.12 H new ATOM 0 HE2 LYS A 63 -13.287 10.628 -0.900 1.00 13.03 H new ATOM 0 HE3 LYS A 63 -13.219 10.233 0.806 1.00 13.03 H new ATOM 0 HZ1 LYS A 63 -15.030 11.708 0.320 1.00 65.41 H new ATOM 0 HZ2 LYS A 63 -13.905 12.484 1.327 1.00 65.41 H new ATOM 0 HZ3 LYS A 63 -13.970 12.866 -0.326 1.00 65.41 H new ATOM 979 N ARG A 64 -11.272 10.200 -5.315 1.00 45.11 N ATOM 980 CA ARG A 64 -11.766 10.698 -6.595 1.00 64.23 C ATOM 981 C ARG A 64 -12.558 9.673 -7.382 1.00 61.44 C ATOM 982 O ARG A 64 -13.483 10.023 -8.108 1.00 31.55 O ATOM 983 CB ARG A 64 -10.608 11.183 -7.482 1.00 63.10 C ATOM 984 CG ARG A 64 -10.158 12.616 -7.190 1.00 54.14 C ATOM 985 CD ARG A 64 -9.147 13.052 -8.259 1.00 74.12 C ATOM 986 NE ARG A 64 -9.131 14.509 -8.444 1.00 1.15 N ATOM 987 CZ ARG A 64 -8.104 15.339 -8.259 1.00 71.12 C ATOM 988 NH1 ARG A 64 -7.020 14.958 -7.595 1.00 5.01 N ATOM 989 NH2 ARG A 64 -8.172 16.565 -8.753 1.00 3.12 N ATOM 0 H ARG A 64 -10.271 10.008 -5.293 1.00 45.11 H new ATOM 0 HA ARG A 64 -12.433 11.521 -6.338 1.00 64.23 H new ATOM 0 HB2 ARG A 64 -9.759 10.513 -7.351 1.00 63.10 H new ATOM 0 HB3 ARG A 64 -10.911 11.114 -8.527 1.00 63.10 H new ATOM 0 HG2 ARG A 64 -11.017 13.287 -7.189 1.00 54.14 H new ATOM 0 HG3 ARG A 64 -9.707 12.674 -6.200 1.00 54.14 H new ATOM 0 HD2 ARG A 64 -8.151 12.712 -7.975 1.00 74.12 H new ATOM 0 HD3 ARG A 64 -9.391 12.570 -9.206 1.00 74.12 H new ATOM 0 HE ARG A 64 -10.006 14.935 -8.749 1.00 1.15 H new ATOM 0 HH11 ARG A 64 -6.961 14.014 -7.214 1.00 5.01 H new ATOM 0 HH12 ARG A 64 -6.246 15.610 -7.465 1.00 5.01 H new ATOM 0 HH21 ARG A 64 -9.002 16.863 -9.266 1.00 3.12 H new ATOM 0 HH22 ARG A 64 -7.395 17.212 -8.620 1.00 3.12 H new ATOM 1000 N ILE A 65 -12.273 8.407 -7.156 1.00 73.53 N ATOM 1001 CA ILE A 65 -13.010 7.322 -7.793 1.00 2.41 C ATOM 1002 C ILE A 65 -14.365 7.201 -7.107 1.00 23.23 C ATOM 1003 O ILE A 65 -15.405 7.032 -7.746 1.00 44.24 O ATOM 1004 CB ILE A 65 -12.206 6.001 -7.781 1.00 51.03 C ATOM 1005 CG1 ILE A 65 -10.934 6.201 -8.635 1.00 24.55 C ATOM 1006 CG2 ILE A 65 -13.081 4.857 -8.333 1.00 44.43 C ATOM 1007 CD1 ILE A 65 -10.036 4.968 -8.767 1.00 4.32 C ATOM 0 H ILE A 65 -11.530 8.097 -6.530 1.00 73.53 H new ATOM 0 HA ILE A 65 -13.170 7.545 -8.848 1.00 2.41 H new ATOM 0 HB ILE A 65 -11.914 5.733 -6.765 1.00 51.03 H new ATOM 0 HG12 ILE A 65 -11.233 6.521 -9.633 1.00 24.55 H new ATOM 0 HG13 ILE A 65 -10.349 7.012 -8.202 1.00 24.55 H new ATOM 0 HG21 ILE A 65 -12.512 3.927 -8.324 1.00 44.43 H new ATOM 0 HG22 ILE A 65 -13.969 4.746 -7.711 1.00 44.43 H new ATOM 0 HG23 ILE A 65 -13.381 5.089 -9.355 1.00 44.43 H new ATOM 0 HD11 ILE A 65 -9.172 5.212 -9.384 1.00 4.32 H new ATOM 0 HD12 ILE A 65 -9.699 4.656 -7.778 1.00 4.32 H new ATOM 0 HD13 ILE A 65 -10.597 4.157 -9.232 1.00 4.32 H new ATOM 1018 N LYS A 66 -14.346 7.255 -5.781 1.00 45.34 N ATOM 1019 CA LYS A 66 -15.478 7.050 -4.934 1.00 12.24 C ATOM 1020 C LYS A 66 -16.485 8.174 -5.042 1.00 10.34 C ATOM 1021 O LYS A 66 -17.645 7.924 -5.354 1.00 42.04 O ATOM 1022 CB LYS A 66 -14.913 6.895 -3.524 1.00 12.22 C ATOM 1023 CG LYS A 66 -15.975 6.379 -2.578 1.00 10.15 C ATOM 1024 CD LYS A 66 -15.640 6.837 -1.166 1.00 74.21 C ATOM 1025 CE LYS A 66 -16.537 6.084 -0.198 1.00 42.43 C ATOM 1026 NZ LYS A 66 -16.822 6.811 1.058 1.00 32.23 N ATOM 0 H LYS A 66 -13.493 7.453 -5.258 1.00 45.34 H new ATOM 0 HA LYS A 66 -16.040 6.163 -5.227 1.00 12.24 H new ATOM 0 HB2 LYS A 66 -14.067 6.208 -3.539 1.00 12.22 H new ATOM 0 HB3 LYS A 66 -14.538 7.855 -3.169 1.00 12.22 H new ATOM 0 HG2 LYS A 66 -16.956 6.752 -2.873 1.00 10.15 H new ATOM 0 HG3 LYS A 66 -16.022 5.291 -2.621 1.00 10.15 H new ATOM 0 HD2 LYS A 66 -14.591 6.643 -0.942 1.00 74.21 H new ATOM 0 HD3 LYS A 66 -15.793 7.912 -1.069 1.00 74.21 H new ATOM 0 HE2 LYS A 66 -17.480 5.858 -0.696 1.00 42.43 H new ATOM 0 HE3 LYS A 66 -16.069 5.130 0.046 1.00 42.43 H new ATOM 0 HZ1 LYS A 66 -17.439 6.231 1.662 1.00 32.23 H new ATOM 0 HZ2 LYS A 66 -15.930 7.004 1.557 1.00 32.23 H new ATOM 0 HZ3 LYS A 66 -17.298 7.709 0.839 1.00 32.23 H new ATOM 1036 N ALA A 67 -16.026 9.377 -4.727 1.00 52.02 N ATOM 1037 CA ALA A 67 -16.831 10.550 -4.435 1.00 25.51 C ATOM 1038 C ALA A 67 -16.471 11.731 -5.344 1.00 44.34 C ATOM 1039 O ALA A 67 -17.019 12.822 -5.165 1.00 21.52 O ATOM 1040 CB ALA A 67 -16.636 10.908 -2.955 1.00 73.33 C ATOM 0 H ALA A 67 -15.026 9.569 -4.666 1.00 52.02 H new ATOM 0 HA ALA A 67 -17.880 10.326 -4.630 1.00 25.51 H new ATOM 0 HB1 ALA A 67 -17.232 11.788 -2.712 1.00 73.33 H new ATOM 0 HB2 ALA A 67 -16.954 10.071 -2.333 1.00 73.33 H new ATOM 0 HB3 ALA A 67 -15.583 11.120 -2.768 1.00 73.33 H new ATOM 1046 N GLY A 68 -15.519 11.541 -6.260 1.00 1.13 N ATOM 1047 CA GLY A 68 -14.937 12.638 -7.033 1.00 3.05 C ATOM 1048 C GLY A 68 -15.812 13.008 -8.217 1.00 45.34 C ATOM 1049 O GLY A 68 -16.039 12.160 -9.080 1.00 44.14 O ATOM 0 H GLY A 68 -15.131 10.625 -6.486 1.00 1.13 H new ATOM 0 HA2 GLY A 68 -14.806 13.508 -6.390 1.00 3.05 H new ATOM 0 HA3 GLY A 68 -13.947 12.350 -7.386 1.00 3.05 H new ATOM 1053 N ASN A 69 -16.263 14.263 -8.256 1.00 1.42 N ATOM 1054 CA ASN A 69 -17.142 14.858 -9.261 1.00 45.30 C ATOM 1055 C ASN A 69 -18.298 13.914 -9.590 1.00 64.52 C ATOM 1056 O ASN A 69 -18.323 13.271 -10.640 1.00 45.31 O ATOM 1057 CB ASN A 69 -16.393 15.336 -10.514 1.00 4.24 C ATOM 1058 CG ASN A 69 -15.456 16.512 -10.278 1.00 72.53 C ATOM 1059 OD1 ASN A 69 -14.534 16.445 -9.469 1.00 44.21 O ATOM 1060 ND2 ASN A 69 -15.646 17.626 -10.961 1.00 45.00 N ATOM 0 H ASN A 69 -16.005 14.937 -7.535 1.00 1.42 H new ATOM 0 HA ASN A 69 -17.564 15.764 -8.825 1.00 45.30 H new ATOM 0 HB2 ASN A 69 -15.816 14.503 -10.917 1.00 4.24 H new ATOM 0 HB3 ASN A 69 -17.123 15.616 -11.274 1.00 4.24 H new ATOM 0 HD21 ASN A 69 -15.029 18.425 -10.815 1.00 45.00 H new ATOM 0 HD22 ASN A 69 -16.410 17.688 -11.634 1.00 45.00 H new ATOM 1066 N VAL A 70 -19.268 13.848 -8.683 1.00 3.41 N ATOM 1067 CA VAL A 70 -20.517 13.094 -8.806 1.00 24.33 C ATOM 1068 C VAL A 70 -21.475 13.700 -9.855 1.00 44.44 C ATOM 1069 O VAL A 70 -22.629 13.283 -9.952 1.00 1.22 O ATOM 1070 CB VAL A 70 -21.127 12.982 -7.388 1.00 11.31 C ATOM 1071 CG1 VAL A 70 -21.654 14.318 -6.840 1.00 73.10 C ATOM 1072 CG2 VAL A 70 -22.199 11.889 -7.262 1.00 31.52 C ATOM 0 H VAL A 70 -19.203 14.344 -7.794 1.00 3.41 H new ATOM 0 HA VAL A 70 -20.324 12.093 -9.191 1.00 24.33 H new ATOM 0 HB VAL A 70 -20.284 12.682 -6.765 1.00 11.31 H new ATOM 0 HG11 VAL A 70 -22.067 14.165 -5.843 1.00 73.10 H new ATOM 0 HG12 VAL A 70 -20.837 15.037 -6.787 1.00 73.10 H new ATOM 0 HG13 VAL A 70 -22.432 14.701 -7.500 1.00 73.10 H new ATOM 0 HG21 VAL A 70 -22.581 11.870 -6.241 1.00 31.52 H new ATOM 0 HG22 VAL A 70 -23.017 12.100 -7.951 1.00 31.52 H new ATOM 0 HG23 VAL A 70 -21.761 10.921 -7.504 1.00 31.52 H new ATOM 1082 N SER A 71 -21.034 14.701 -10.612 1.00 61.51 N ATOM 1083 CA SER A 71 -21.802 15.469 -11.574 1.00 54.00 C ATOM 1084 C SER A 71 -20.986 15.452 -12.848 1.00 3.34 C ATOM 1085 O SER A 71 -21.501 15.028 -13.898 1.00 1.22 O ATOM 1086 CB SER A 71 -22.003 16.897 -11.043 1.00 44.40 C ATOM 1087 OG SER A 71 -20.730 17.446 -10.714 1.00 65.22 O ATOM 0 H SER A 71 -20.065 15.014 -10.562 1.00 61.51 H new ATOM 0 HA SER A 71 -22.796 15.057 -11.750 1.00 54.00 H new ATOM 0 HB2 SER A 71 -22.497 17.513 -11.794 1.00 44.40 H new ATOM 0 HB3 SER A 71 -22.648 16.886 -10.165 1.00 44.40 H new ATOM 0 HG SER A 71 -20.845 18.358 -10.375 1.00 65.22 H new TER 1092 SER A 71