USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=11 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= -0.169 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.25 K(o=0.081,f=-6.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0766 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=-0.18) 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+ 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 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.646 K(o=-0.65,f=-0.058) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.029 USER MOD Single : A 50 GLN : amide:sc= -0.0481 K(o=-0.048,f=-0.89) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.856 K(o=-0.86,f=0) 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= -0.304 X(o=-0.3,f=-0.25) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.089 1.761 -12.718 1.00 2.33 N ATOM 2 CA GLY A 1 16.733 1.711 -14.138 1.00 34.04 C ATOM 3 C GLY A 1 15.261 1.398 -14.265 1.00 73.21 C ATOM 4 O GLY A 1 14.446 2.145 -13.720 1.00 12.50 O ATOM 0 H1 GLY A 1 18.102 1.976 -12.621 1.00 2.33 H new ATOM 0 H2 GLY A 1 16.531 2.501 -12.246 1.00 2.33 H new ATOM 0 H3 GLY A 1 16.887 0.841 -12.277 1.00 2.33 H new ATOM 0 HA2 GLY A 1 16.958 2.664 -14.616 1.00 34.04 H new ATOM 0 HA3 GLY A 1 17.325 0.951 -14.648 1.00 34.04 H new ATOM 8 N ALA A 2 14.929 0.272 -14.901 1.00 71.25 N ATOM 9 CA ALA A 2 13.608 -0.340 -14.844 1.00 62.42 C ATOM 10 C ALA A 2 13.709 -1.547 -13.894 1.00 20.32 C ATOM 11 O ALA A 2 13.942 -2.664 -14.370 1.00 55.12 O ATOM 12 CB ALA A 2 13.160 -0.722 -16.262 1.00 53.51 C ATOM 0 H ALA A 2 15.588 -0.247 -15.481 1.00 71.25 H new ATOM 0 HA ALA A 2 12.850 0.342 -14.459 1.00 62.42 H new ATOM 0 HB1 ALA A 2 12.172 -1.180 -16.220 1.00 53.51 H new ATOM 0 HB2 ALA A 2 13.120 0.172 -16.884 1.00 53.51 H new ATOM 0 HB3 ALA A 2 13.870 -1.430 -16.690 1.00 53.51 H new ATOM 18 N PRO A 3 13.655 -1.337 -12.563 1.00 52.45 N ATOM 19 CA PRO A 3 13.794 -2.398 -11.574 1.00 60.15 C ATOM 20 C PRO A 3 12.506 -3.216 -11.472 1.00 14.30 C ATOM 21 O PRO A 3 11.421 -2.744 -11.832 1.00 32.00 O ATOM 22 CB PRO A 3 14.055 -1.663 -10.254 1.00 63.12 C ATOM 23 CG PRO A 3 13.233 -0.386 -10.424 1.00 64.02 C ATOM 24 CD PRO A 3 13.473 -0.060 -11.887 1.00 0.42 C ATOM 0 HA PRO A 3 14.590 -3.096 -11.832 1.00 60.15 H new ATOM 0 HB2 PRO A 3 13.728 -2.245 -9.393 1.00 63.12 H new ATOM 0 HB3 PRO A 3 15.114 -1.449 -10.110 1.00 63.12 H new ATOM 0 HG2 PRO A 3 12.177 -0.547 -10.208 1.00 64.02 H new ATOM 0 HG3 PRO A 3 13.575 0.412 -9.765 1.00 64.02 H new ATOM 0 HD2 PRO A 3 12.629 0.486 -12.308 1.00 0.42 H new ATOM 0 HD3 PRO A 3 14.353 0.572 -12.006 1.00 0.42 H new ATOM 32 N GLY A 4 12.598 -4.385 -10.847 1.00 23.22 N ATOM 33 CA GLY A 4 11.462 -5.177 -10.413 1.00 2.42 C ATOM 34 C GLY A 4 11.930 -6.101 -9.299 1.00 31.11 C ATOM 35 O GLY A 4 13.126 -6.399 -9.209 1.00 54.54 O ATOM 0 H GLY A 4 13.494 -4.817 -10.624 1.00 23.22 H new ATOM 0 HA2 GLY A 4 10.659 -4.530 -10.059 1.00 2.42 H new ATOM 0 HA3 GLY A 4 11.061 -5.756 -11.245 1.00 2.42 H new ATOM 39 N GLY A 5 11.016 -6.559 -8.451 1.00 4.13 N ATOM 40 CA GLY A 5 11.386 -7.379 -7.308 1.00 14.51 C ATOM 41 C GLY A 5 10.163 -8.084 -6.747 1.00 11.12 C ATOM 42 O GLY A 5 9.046 -7.548 -6.807 1.00 74.34 O ATOM 0 H GLY A 5 10.016 -6.376 -8.535 1.00 4.13 H new ATOM 0 HA2 GLY A 5 12.133 -8.114 -7.606 1.00 14.51 H new ATOM 0 HA3 GLY A 5 11.841 -6.757 -6.537 1.00 14.51 H new ATOM 46 N LYS A 6 10.363 -9.290 -6.219 1.00 32.20 N ATOM 47 CA LYS A 6 9.315 -10.243 -5.865 1.00 44.53 C ATOM 48 C LYS A 6 9.622 -10.780 -4.471 1.00 71.44 C ATOM 49 O LYS A 6 10.143 -11.886 -4.335 1.00 12.33 O ATOM 50 CB LYS A 6 9.251 -11.365 -6.925 1.00 73.05 C ATOM 51 CG LYS A 6 8.789 -10.889 -8.318 1.00 24.04 C ATOM 52 CD LYS A 6 9.633 -11.504 -9.443 1.00 41.11 C ATOM 53 CE LYS A 6 9.168 -11.095 -10.849 1.00 32.02 C ATOM 54 NZ LYS A 6 9.407 -9.669 -11.168 1.00 11.30 N ATOM 0 H LYS A 6 11.298 -9.644 -6.018 1.00 32.20 H new ATOM 0 HA LYS A 6 8.334 -9.767 -5.849 1.00 44.53 H new ATOM 0 HB2 LYS A 6 10.237 -11.820 -7.017 1.00 73.05 H new ATOM 0 HB3 LYS A 6 8.572 -12.143 -6.575 1.00 73.05 H new ATOM 0 HG2 LYS A 6 7.742 -11.155 -8.463 1.00 24.04 H new ATOM 0 HG3 LYS A 6 8.852 -9.802 -8.370 1.00 24.04 H new ATOM 0 HD2 LYS A 6 10.673 -11.206 -9.311 1.00 41.11 H new ATOM 0 HD3 LYS A 6 9.600 -12.590 -9.359 1.00 41.11 H new ATOM 0 HE2 LYS A 6 9.682 -11.713 -11.585 1.00 32.02 H new ATOM 0 HE3 LYS A 6 8.103 -11.305 -10.944 1.00 32.02 H new ATOM 0 HZ1 LYS A 6 9.069 -9.467 -12.130 1.00 11.30 H new ATOM 0 HZ2 LYS A 6 8.895 -9.071 -10.488 1.00 11.30 H new ATOM 0 HZ3 LYS A 6 10.425 -9.466 -11.110 1.00 11.30 H new ATOM 68 N SER A 7 9.340 -9.990 -3.438 1.00 21.00 N ATOM 69 CA SER A 7 9.279 -10.478 -2.065 1.00 40.31 C ATOM 70 C SER A 7 7.863 -11.010 -1.805 1.00 72.33 C ATOM 71 O SER A 7 6.905 -10.576 -2.450 1.00 60.44 O ATOM 72 CB SER A 7 9.708 -9.366 -1.087 1.00 4.24 C ATOM 73 OG SER A 7 9.436 -8.057 -1.568 1.00 72.21 O ATOM 0 H SER A 7 9.147 -8.993 -3.531 1.00 21.00 H new ATOM 0 HA SER A 7 9.977 -11.300 -1.905 1.00 40.31 H new ATOM 0 HB2 SER A 7 9.194 -9.510 -0.136 1.00 4.24 H new ATOM 0 HB3 SER A 7 10.776 -9.458 -0.889 1.00 4.24 H new ATOM 0 HG SER A 7 9.728 -7.397 -0.905 1.00 72.21 H new ATOM 79 N ARG A 8 7.711 -11.943 -0.862 1.00 24.11 N ATOM 80 CA ARG A 8 6.447 -12.587 -0.490 1.00 4.52 C ATOM 81 C ARG A 8 6.472 -12.910 1.012 1.00 14.20 C ATOM 82 O ARG A 8 7.287 -12.330 1.738 1.00 13.44 O ATOM 83 CB ARG A 8 6.156 -13.795 -1.412 1.00 51.35 C ATOM 84 CG ARG A 8 7.118 -14.991 -1.317 1.00 1.20 C ATOM 85 CD ARG A 8 6.554 -16.248 -2.005 1.00 60.02 C ATOM 86 NE ARG A 8 6.556 -16.178 -3.480 1.00 1.44 N ATOM 87 CZ ARG A 8 6.636 -17.222 -4.319 1.00 53.51 C ATOM 88 NH1 ARG A 8 6.807 -18.463 -3.870 1.00 15.23 N ATOM 89 NH2 ARG A 8 6.549 -17.014 -5.627 1.00 1.23 N ATOM 0 H ARG A 8 8.499 -12.286 -0.313 1.00 24.11 H new ATOM 0 HA ARG A 8 5.605 -11.913 -0.646 1.00 4.52 H new ATOM 0 HB2 ARG A 8 5.149 -14.152 -1.196 1.00 51.35 H new ATOM 0 HB3 ARG A 8 6.155 -13.442 -2.443 1.00 51.35 H new ATOM 0 HG2 ARG A 8 8.071 -14.725 -1.774 1.00 1.20 H new ATOM 0 HG3 ARG A 8 7.318 -15.212 -0.268 1.00 1.20 H new ATOM 0 HD2 ARG A 8 7.138 -17.114 -1.692 1.00 60.02 H new ATOM 0 HD3 ARG A 8 5.533 -16.411 -1.661 1.00 60.02 H new ATOM 0 HE ARG A 8 6.491 -15.251 -3.900 1.00 1.44 H new ATOM 0 HH11 ARG A 8 6.880 -18.637 -2.868 1.00 15.23 H new ATOM 0 HH12 ARG A 8 6.865 -19.240 -4.528 1.00 15.23 H new ATOM 0 HH21 ARG A 8 6.423 -16.068 -5.986 1.00 1.23 H new ATOM 0 HH22 ARG A 8 6.609 -17.801 -6.274 1.00 1.23 H new ATOM 103 N ARG A 9 5.571 -13.772 1.497 1.00 73.05 N ATOM 104 CA ARG A 9 5.588 -14.356 2.847 1.00 54.12 C ATOM 105 C ARG A 9 5.468 -13.326 3.975 1.00 11.30 C ATOM 106 O ARG A 9 5.801 -13.644 5.112 1.00 50.24 O ATOM 107 CB ARG A 9 6.838 -15.253 2.986 1.00 64.22 C ATOM 108 CG ARG A 9 6.708 -16.475 3.920 1.00 3.51 C ATOM 109 CD ARG A 9 7.304 -17.706 3.214 1.00 54.53 C ATOM 110 NE ARG A 9 7.731 -18.791 4.115 1.00 75.44 N ATOM 111 CZ ARG A 9 8.000 -20.032 3.688 1.00 31.03 C ATOM 112 NH1 ARG A 9 7.475 -20.471 2.547 1.00 31.43 N ATOM 113 NH2 ARG A 9 8.799 -20.834 4.394 1.00 63.15 N ATOM 0 H ARG A 9 4.780 -14.095 0.941 1.00 73.05 H new ATOM 0 HA ARG A 9 4.691 -14.965 2.961 1.00 54.12 H new ATOM 0 HB2 ARG A 9 7.114 -15.610 1.994 1.00 64.22 H new ATOM 0 HB3 ARG A 9 7.662 -14.636 3.344 1.00 64.22 H new ATOM 0 HG2 ARG A 9 7.230 -16.289 4.859 1.00 3.51 H new ATOM 0 HG3 ARG A 9 5.661 -16.652 4.167 1.00 3.51 H new ATOM 0 HD2 ARG A 9 6.564 -18.101 2.518 1.00 54.53 H new ATOM 0 HD3 ARG A 9 8.161 -17.387 2.621 1.00 54.53 H new ATOM 0 HE ARG A 9 7.826 -18.588 5.110 1.00 75.44 H new ATOM 0 HH11 ARG A 9 6.868 -19.863 1.998 1.00 31.43 H new ATOM 0 HH12 ARG A 9 7.680 -21.416 2.222 1.00 31.43 H new ATOM 0 HH21 ARG A 9 9.211 -20.504 5.267 1.00 63.15 H new ATOM 0 HH22 ARG A 9 8.998 -21.777 4.061 1.00 63.15 H new ATOM 127 N ARG A 10 5.029 -12.094 3.688 1.00 12.40 N ATOM 128 CA ARG A 10 4.900 -11.016 4.672 1.00 71.45 C ATOM 129 C ARG A 10 3.884 -9.974 4.187 1.00 51.53 C ATOM 130 O ARG A 10 4.133 -8.769 4.264 1.00 62.44 O ATOM 131 CB ARG A 10 6.286 -10.404 4.969 1.00 30.11 C ATOM 132 CG ARG A 10 6.307 -9.630 6.301 1.00 42.44 C ATOM 133 CD ARG A 10 7.436 -8.595 6.360 1.00 70.33 C ATOM 134 NE ARG A 10 8.771 -9.171 6.635 1.00 13.11 N ATOM 135 CZ ARG A 10 9.593 -8.787 7.625 1.00 3.23 C ATOM 136 NH1 ARG A 10 9.117 -8.097 8.657 1.00 22.02 N ATOM 137 NH2 ARG A 10 10.888 -9.083 7.586 1.00 33.00 N ATOM 0 H ARG A 10 4.749 -11.815 2.748 1.00 12.40 H new ATOM 0 HA ARG A 10 4.518 -11.417 5.611 1.00 71.45 H new ATOM 0 HB2 ARG A 10 7.033 -11.198 5.000 1.00 30.11 H new ATOM 0 HB3 ARG A 10 6.567 -9.734 4.157 1.00 30.11 H new ATOM 0 HG2 ARG A 10 5.350 -9.127 6.441 1.00 42.44 H new ATOM 0 HG3 ARG A 10 6.421 -10.334 7.125 1.00 42.44 H new ATOM 0 HD2 ARG A 10 7.472 -8.058 5.412 1.00 70.33 H new ATOM 0 HD3 ARG A 10 7.202 -7.862 7.132 1.00 70.33 H new ATOM 0 HE ARG A 10 9.093 -9.921 6.023 1.00 13.11 H new ATOM 0 HH11 ARG A 10 8.126 -7.859 8.698 1.00 22.02 H new ATOM 0 HH12 ARG A 10 9.743 -7.806 9.408 1.00 22.02 H new ATOM 0 HH21 ARG A 10 11.268 -9.607 6.798 1.00 33.00 H new ATOM 0 HH22 ARG A 10 11.502 -8.786 8.344 1.00 33.00 H new ATOM 151 N ARG A 11 2.752 -10.397 3.624 1.00 22.44 N ATOM 152 CA ARG A 11 1.622 -9.519 3.328 1.00 72.41 C ATOM 153 C ARG A 11 0.362 -10.367 3.212 1.00 61.05 C ATOM 154 O ARG A 11 0.441 -11.543 2.858 1.00 21.14 O ATOM 155 CB ARG A 11 1.901 -8.733 2.029 1.00 30.03 C ATOM 156 CG ARG A 11 1.859 -7.206 2.238 1.00 11.52 C ATOM 157 CD ARG A 11 2.943 -6.482 1.432 1.00 34.00 C ATOM 158 NE ARG A 11 4.273 -6.770 1.991 1.00 22.10 N ATOM 159 CZ ARG A 11 5.441 -6.838 1.345 1.00 52.33 C ATOM 160 NH1 ARG A 11 5.528 -6.583 0.040 1.00 53.43 N ATOM 161 NH2 ARG A 11 6.516 -7.178 2.043 1.00 11.50 N ATOM 0 H ARG A 11 2.593 -11.369 3.358 1.00 22.44 H new ATOM 0 HA ARG A 11 1.480 -8.793 4.129 1.00 72.41 H new ATOM 0 HB2 ARG A 11 2.879 -9.016 1.641 1.00 30.03 H new ATOM 0 HB3 ARG A 11 1.166 -9.013 1.275 1.00 30.03 H new ATOM 0 HG2 ARG A 11 0.879 -6.828 1.947 1.00 11.52 H new ATOM 0 HG3 ARG A 11 1.986 -6.982 3.297 1.00 11.52 H new ATOM 0 HD2 ARG A 11 2.903 -6.798 0.390 1.00 34.00 H new ATOM 0 HD3 ARG A 11 2.760 -5.408 1.446 1.00 34.00 H new ATOM 0 HE ARG A 11 4.308 -6.939 2.996 1.00 22.10 H new ATOM 0 HH11 ARG A 11 4.692 -6.330 -0.487 1.00 53.43 H new ATOM 0 HH12 ARG A 11 6.430 -6.641 -0.432 1.00 53.43 H new ATOM 0 HH21 ARG A 11 6.435 -7.378 3.040 1.00 11.50 H new ATOM 0 HH22 ARG A 11 7.424 -7.240 1.583 1.00 11.50 H new ATOM 175 N THR A 12 -0.801 -9.787 3.479 1.00 11.13 N ATOM 176 CA THR A 12 -2.070 -10.496 3.378 1.00 44.13 C ATOM 177 C THR A 12 -2.322 -10.918 1.919 1.00 13.20 C ATOM 178 O THR A 12 -1.715 -10.375 0.989 1.00 71.32 O ATOM 179 CB THR A 12 -3.201 -9.616 3.945 1.00 5.42 C ATOM 180 OG1 THR A 12 -2.695 -8.570 4.763 1.00 30.23 O ATOM 181 CG2 THR A 12 -4.185 -10.441 4.772 1.00 25.03 C ATOM 0 H THR A 12 -0.891 -8.814 3.771 1.00 11.13 H new ATOM 0 HA THR A 12 -2.039 -11.409 3.973 1.00 44.13 H new ATOM 0 HB THR A 12 -3.713 -9.185 3.085 1.00 5.42 H new ATOM 0 HG1 THR A 12 -3.440 -8.032 5.104 1.00 30.23 H new ATOM 0 HG21 THR A 12 -4.970 -9.791 5.158 1.00 25.03 H new ATOM 0 HG22 THR A 12 -4.629 -11.214 4.145 1.00 25.03 H new ATOM 0 HG23 THR A 12 -3.659 -10.908 5.605 1.00 25.03 H new ATOM 189 N ALA A 13 -3.221 -11.883 1.715 1.00 20.10 N ATOM 190 CA ALA A 13 -3.482 -12.569 0.450 1.00 34.44 C ATOM 191 C ALA A 13 -4.251 -11.715 -0.568 1.00 3.12 C ATOM 192 O ALA A 13 -5.343 -12.080 -1.007 1.00 33.03 O ATOM 193 CB ALA A 13 -4.232 -13.860 0.785 1.00 73.02 C ATOM 0 H ALA A 13 -3.818 -12.224 2.469 1.00 20.10 H new ATOM 0 HA ALA A 13 -2.533 -12.781 -0.042 1.00 34.44 H new ATOM 0 HB1 ALA A 13 -4.447 -14.405 -0.134 1.00 73.02 H new ATOM 0 HB2 ALA A 13 -3.617 -14.479 1.438 1.00 73.02 H new ATOM 0 HB3 ALA A 13 -5.167 -13.617 1.290 1.00 73.02 H new ATOM 199 N PHE A 14 -3.684 -10.578 -0.955 1.00 72.24 N ATOM 200 CA PHE A 14 -4.228 -9.676 -1.943 1.00 75.42 C ATOM 201 C PHE A 14 -3.944 -10.258 -3.318 1.00 75.32 C ATOM 202 O PHE A 14 -2.811 -10.631 -3.632 1.00 75.45 O ATOM 203 CB PHE A 14 -3.632 -8.264 -1.848 1.00 72.24 C ATOM 204 CG PHE A 14 -4.061 -7.357 -0.698 1.00 31.14 C ATOM 205 CD1 PHE A 14 -4.268 -7.835 0.612 1.00 13.10 C ATOM 206 CD2 PHE A 14 -4.221 -5.981 -0.942 1.00 62.01 C ATOM 207 CE1 PHE A 14 -4.574 -6.952 1.664 1.00 64.33 C ATOM 208 CE2 PHE A 14 -4.554 -5.104 0.105 1.00 41.52 C ATOM 209 CZ PHE A 14 -4.702 -5.581 1.413 1.00 13.34 C ATOM 0 H PHE A 14 -2.797 -10.253 -0.569 1.00 72.24 H new ATOM 0 HA PHE A 14 -5.299 -9.577 -1.764 1.00 75.42 H new ATOM 0 HB2 PHE A 14 -2.548 -8.367 -1.800 1.00 72.24 H new ATOM 0 HB3 PHE A 14 -3.862 -7.746 -2.779 1.00 72.24 H new ATOM 0 HD1 PHE A 14 -4.191 -8.894 0.811 1.00 13.10 H new ATOM 0 HD2 PHE A 14 -4.087 -5.595 -1.942 1.00 62.01 H new ATOM 0 HE1 PHE A 14 -4.710 -7.332 2.666 1.00 64.33 H new ATOM 0 HE2 PHE A 14 -4.697 -4.054 -0.101 1.00 41.52 H new ATOM 0 HZ PHE A 14 -4.913 -4.897 2.221 1.00 13.34 H new ATOM 219 N THR A 15 -4.981 -10.322 -4.129 1.00 35.22 N ATOM 220 CA THR A 15 -4.904 -10.639 -5.548 1.00 4.43 C ATOM 221 C THR A 15 -4.420 -9.408 -6.325 1.00 40.23 C ATOM 222 O THR A 15 -4.463 -8.281 -5.821 1.00 20.20 O ATOM 223 CB THR A 15 -6.272 -11.159 -6.024 1.00 40.12 C ATOM 224 OG1 THR A 15 -7.346 -10.459 -5.441 1.00 51.32 O ATOM 225 CG2 THR A 15 -6.449 -12.606 -5.572 1.00 3.44 C ATOM 0 H THR A 15 -5.935 -10.149 -3.811 1.00 35.22 H new ATOM 0 HA THR A 15 -4.177 -11.430 -5.732 1.00 4.43 H new ATOM 0 HB THR A 15 -6.283 -11.039 -7.107 1.00 40.12 H new ATOM 0 HG1 THR A 15 -8.193 -10.823 -5.774 1.00 51.32 H new ATOM 0 HG21 THR A 15 -7.417 -12.976 -5.908 1.00 3.44 H new ATOM 0 HG22 THR A 15 -5.657 -13.220 -6.000 1.00 3.44 H new ATOM 0 HG23 THR A 15 -6.399 -12.656 -4.484 1.00 3.44 H new ATOM 233 N SER A 16 -3.958 -9.616 -7.560 1.00 62.45 N ATOM 234 CA SER A 16 -3.317 -8.580 -8.361 1.00 11.22 C ATOM 235 C SER A 16 -4.203 -7.359 -8.596 1.00 4.54 C ATOM 236 O SER A 16 -3.690 -6.237 -8.621 1.00 60.33 O ATOM 237 CB SER A 16 -2.891 -9.152 -9.707 1.00 73.42 C ATOM 238 OG SER A 16 -1.912 -10.172 -9.551 1.00 15.43 O ATOM 0 H SER A 16 -4.021 -10.517 -8.033 1.00 62.45 H new ATOM 0 HA SER A 16 -2.451 -8.245 -7.790 1.00 11.22 H new ATOM 0 HB2 SER A 16 -3.761 -9.557 -10.224 1.00 73.42 H new ATOM 0 HB3 SER A 16 -2.491 -8.354 -10.333 1.00 73.42 H new ATOM 0 HG SER A 16 -1.660 -10.521 -10.431 1.00 15.43 H new ATOM 244 N GLU A 17 -5.510 -7.549 -8.747 1.00 63.01 N ATOM 245 CA GLU A 17 -6.421 -6.460 -8.978 1.00 61.13 C ATOM 246 C GLU A 17 -6.451 -5.528 -7.759 1.00 53.51 C ATOM 247 O GLU A 17 -6.469 -4.308 -7.905 1.00 60.03 O ATOM 248 CB GLU A 17 -7.785 -7.111 -9.226 1.00 2.32 C ATOM 249 CG GLU A 17 -8.770 -6.100 -9.802 1.00 13.31 C ATOM 250 CD GLU A 17 -10.176 -6.307 -9.245 1.00 40.31 C ATOM 251 OE1 GLU A 17 -10.701 -7.442 -9.339 1.00 63.24 O ATOM 252 OE2 GLU A 17 -10.717 -5.364 -8.618 1.00 64.12 O ATOM 0 H GLU A 17 -5.956 -8.466 -8.711 1.00 63.01 H new ATOM 0 HA GLU A 17 -6.125 -5.844 -9.827 1.00 61.13 H new ATOM 0 HB2 GLU A 17 -7.673 -7.949 -9.914 1.00 2.32 H new ATOM 0 HB3 GLU A 17 -8.176 -7.515 -8.292 1.00 2.32 H new ATOM 0 HG2 GLU A 17 -8.432 -5.090 -9.572 1.00 13.31 H new ATOM 0 HG3 GLU A 17 -8.791 -6.190 -10.888 1.00 13.31 H new ATOM 259 N GLN A 18 -6.426 -6.099 -6.552 1.00 4.52 N ATOM 260 CA GLN A 18 -6.444 -5.344 -5.307 1.00 64.32 C ATOM 261 C GLN A 18 -5.100 -4.643 -5.118 1.00 23.04 C ATOM 262 O GLN A 18 -5.059 -3.532 -4.600 1.00 44.44 O ATOM 263 CB GLN A 18 -6.768 -6.261 -4.103 1.00 21.10 C ATOM 264 CG GLN A 18 -7.726 -7.423 -4.424 1.00 61.12 C ATOM 265 CD GLN A 18 -8.082 -8.270 -3.205 1.00 24.13 C ATOM 266 OE1 GLN A 18 -7.280 -9.079 -2.746 1.00 24.21 O ATOM 267 NE2 GLN A 18 -9.268 -8.146 -2.640 1.00 20.00 N ATOM 0 H GLN A 18 -6.392 -7.109 -6.416 1.00 4.52 H new ATOM 0 HA GLN A 18 -7.231 -4.592 -5.361 1.00 64.32 H new ATOM 0 HB2 GLN A 18 -5.836 -6.672 -3.715 1.00 21.10 H new ATOM 0 HB3 GLN A 18 -7.205 -5.656 -3.309 1.00 21.10 H new ATOM 0 HG2 GLN A 18 -8.642 -7.020 -4.857 1.00 61.12 H new ATOM 0 HG3 GLN A 18 -7.270 -8.062 -5.180 1.00 61.12 H new ATOM 0 HE21 GLN A 18 -9.943 -7.478 -3.012 1.00 20.00 H new ATOM 0 HE22 GLN A 18 -9.510 -8.719 -1.831 1.00 20.00 H new ATOM 276 N LEU A 19 -4.005 -5.265 -5.573 1.00 15.50 N ATOM 277 CA LEU A 19 -2.670 -4.681 -5.511 1.00 40.33 C ATOM 278 C LEU A 19 -2.509 -3.485 -6.459 1.00 60.31 C ATOM 279 O LEU A 19 -1.471 -2.829 -6.414 1.00 41.42 O ATOM 280 CB LEU A 19 -1.639 -5.766 -5.868 1.00 14.23 C ATOM 281 CG LEU A 19 -1.458 -6.880 -4.816 1.00 74.22 C ATOM 282 CD1 LEU A 19 -0.546 -7.988 -5.362 1.00 4.12 C ATOM 283 CD2 LEU A 19 -0.831 -6.378 -3.515 1.00 14.31 C ATOM 0 H LEU A 19 -4.026 -6.193 -5.996 1.00 15.50 H new ATOM 0 HA LEU A 19 -2.511 -4.311 -4.498 1.00 40.33 H new ATOM 0 HB2 LEU A 19 -1.933 -6.225 -6.812 1.00 14.23 H new ATOM 0 HB3 LEU A 19 -0.674 -5.286 -6.034 1.00 14.23 H new ATOM 0 HG LEU A 19 -2.461 -7.252 -4.605 1.00 74.22 H new ATOM 0 HD11 LEU A 19 -0.428 -8.767 -4.608 1.00 4.12 H new ATOM 0 HD12 LEU A 19 -0.992 -8.417 -6.260 1.00 4.12 H new ATOM 0 HD13 LEU A 19 0.430 -7.569 -5.606 1.00 4.12 H new ATOM 0 HD21 LEU A 19 -0.730 -7.208 -2.816 1.00 14.31 H new ATOM 0 HD22 LEU A 19 0.153 -5.958 -3.724 1.00 14.31 H new ATOM 0 HD23 LEU A 19 -1.468 -5.610 -3.077 1.00 14.31 H new ATOM 295 N LEU A 20 -3.480 -3.225 -7.335 1.00 52.12 N ATOM 296 CA LEU A 20 -3.415 -2.149 -8.310 1.00 14.51 C ATOM 297 C LEU A 20 -3.765 -0.815 -7.665 1.00 11.23 C ATOM 298 O LEU A 20 -2.946 0.100 -7.645 1.00 74.22 O ATOM 299 CB LEU A 20 -4.337 -2.445 -9.513 1.00 60.04 C ATOM 300 CG LEU A 20 -3.732 -2.008 -10.857 1.00 53.53 C ATOM 301 CD1 LEU A 20 -3.280 -0.544 -10.898 1.00 63.32 C ATOM 302 CD2 LEU A 20 -2.607 -2.987 -11.216 1.00 24.43 C ATOM 0 H LEU A 20 -4.343 -3.766 -7.384 1.00 52.12 H new ATOM 0 HA LEU A 20 -2.392 -2.084 -8.680 1.00 14.51 H new ATOM 0 HB2 LEU A 20 -4.549 -3.514 -9.547 1.00 60.04 H new ATOM 0 HB3 LEU A 20 -5.290 -1.936 -9.367 1.00 60.04 H new ATOM 0 HG LEU A 20 -4.515 -2.048 -11.614 1.00 53.53 H new ATOM 0 HD11 LEU A 20 -2.866 -0.318 -11.881 1.00 63.32 H new ATOM 0 HD12 LEU A 20 -4.134 0.106 -10.706 1.00 63.32 H new ATOM 0 HD13 LEU A 20 -2.519 -0.377 -10.136 1.00 63.32 H new ATOM 0 HD21 LEU A 20 -2.162 -2.697 -12.168 1.00 24.43 H new ATOM 0 HD22 LEU A 20 -1.844 -2.966 -10.437 1.00 24.43 H new ATOM 0 HD23 LEU A 20 -3.014 -3.995 -11.298 1.00 24.43 H new ATOM 314 N GLU A 21 -4.995 -0.686 -7.171 1.00 44.11 N ATOM 315 CA GLU A 21 -5.573 0.601 -6.783 1.00 1.40 C ATOM 316 C GLU A 21 -4.868 1.168 -5.541 1.00 0.41 C ATOM 317 O GLU A 21 -4.759 2.380 -5.359 1.00 63.14 O ATOM 318 CB GLU A 21 -7.082 0.447 -6.552 1.00 20.10 C ATOM 319 CG GLU A 21 -7.810 -0.404 -7.612 1.00 42.11 C ATOM 320 CD GLU A 21 -7.701 0.072 -9.067 1.00 64.45 C ATOM 321 OE1 GLU A 21 -7.336 1.235 -9.356 1.00 40.24 O ATOM 322 OE2 GLU A 21 -8.003 -0.776 -9.944 1.00 11.20 O ATOM 0 H GLU A 21 -5.623 -1.476 -7.027 1.00 44.11 H new ATOM 0 HA GLU A 21 -5.422 1.314 -7.593 1.00 1.40 H new ATOM 0 HB2 GLU A 21 -7.242 -0.002 -5.572 1.00 20.10 H new ATOM 0 HB3 GLU A 21 -7.535 1.438 -6.527 1.00 20.10 H new ATOM 0 HG2 GLU A 21 -7.423 -1.422 -7.556 1.00 42.11 H new ATOM 0 HG3 GLU A 21 -8.866 -0.449 -7.346 1.00 42.11 H new ATOM 329 N LEU A 22 -4.309 0.266 -4.738 1.00 34.24 N ATOM 330 CA LEU A 22 -3.312 0.501 -3.706 1.00 0.51 C ATOM 331 C LEU A 22 -2.172 1.373 -4.238 1.00 2.14 C ATOM 332 O LEU A 22 -1.845 2.425 -3.680 1.00 1.13 O ATOM 333 CB LEU A 22 -2.784 -0.886 -3.284 1.00 54.23 C ATOM 334 CG LEU A 22 -3.330 -1.431 -1.956 1.00 1.10 C ATOM 335 CD1 LEU A 22 -4.856 -1.343 -1.821 1.00 64.22 C ATOM 336 CD2 LEU A 22 -2.909 -2.900 -1.885 1.00 11.14 C ATOM 0 H LEU A 22 -4.562 -0.720 -4.799 1.00 34.24 H new ATOM 0 HA LEU A 22 -3.746 1.032 -2.859 1.00 0.51 H new ATOM 0 HB2 LEU A 22 -3.020 -1.600 -4.073 1.00 54.23 H new ATOM 0 HB3 LEU A 22 -1.697 -0.835 -3.215 1.00 54.23 H new ATOM 0 HG LEU A 22 -2.927 -0.823 -1.146 1.00 1.10 H new ATOM 0 HD11 LEU A 22 -5.160 -1.748 -0.856 1.00 64.22 H new ATOM 0 HD12 LEU A 22 -5.168 -0.301 -1.892 1.00 64.22 H new ATOM 0 HD13 LEU A 22 -5.326 -1.917 -2.620 1.00 64.22 H new ATOM 0 HD21 LEU A 22 -3.273 -3.338 -0.956 1.00 11.14 H new ATOM 0 HD22 LEU A 22 -3.332 -3.441 -2.732 1.00 11.14 H new ATOM 0 HD23 LEU A 22 -1.822 -2.969 -1.917 1.00 11.14 H new ATOM 348 N ARG A 23 -1.532 0.926 -5.321 1.00 32.24 N ATOM 349 CA ARG A 23 -0.350 1.565 -5.878 1.00 2.41 C ATOM 350 C ARG A 23 -0.763 2.773 -6.707 1.00 2.10 C ATOM 351 O ARG A 23 0.087 3.604 -7.021 1.00 75.35 O ATOM 352 CB ARG A 23 0.414 0.575 -6.763 1.00 41.11 C ATOM 353 CG ARG A 23 0.936 -0.644 -5.987 1.00 32.01 C ATOM 354 CD ARG A 23 1.568 -1.659 -6.943 1.00 12.34 C ATOM 355 NE ARG A 23 2.748 -1.098 -7.626 1.00 12.13 N ATOM 356 CZ ARG A 23 3.153 -1.380 -8.870 1.00 61.04 C ATOM 357 NH1 ARG A 23 2.524 -2.280 -9.614 1.00 22.04 N ATOM 358 NH2 ARG A 23 4.207 -0.773 -9.395 1.00 12.33 N ATOM 0 H ARG A 23 -1.829 0.099 -5.838 1.00 32.24 H new ATOM 0 HA ARG A 23 0.296 1.887 -5.062 1.00 2.41 H new ATOM 0 HB2 ARG A 23 -0.240 0.235 -7.566 1.00 41.11 H new ATOM 0 HB3 ARG A 23 1.254 1.088 -7.231 1.00 41.11 H new ATOM 0 HG2 ARG A 23 1.671 -0.325 -5.249 1.00 32.01 H new ATOM 0 HG3 ARG A 23 0.117 -1.112 -5.440 1.00 32.01 H new ATOM 0 HD2 ARG A 23 1.858 -2.551 -6.388 1.00 12.34 H new ATOM 0 HD3 ARG A 23 0.831 -1.970 -7.684 1.00 12.34 H new ATOM 0 HE ARG A 23 3.310 -0.430 -7.099 1.00 12.13 H new ATOM 0 HH11 ARG A 23 1.713 -2.774 -9.241 1.00 22.04 H new ATOM 0 HH12 ARG A 23 2.851 -2.478 -10.560 1.00 22.04 H new ATOM 0 HH21 ARG A 23 4.721 -0.081 -8.850 1.00 12.33 H new ATOM 0 HH22 ARG A 23 4.505 -0.998 -10.344 1.00 12.33 H new ATOM 372 N LYS A 24 -2.039 2.910 -7.068 1.00 32.23 N ATOM 373 CA LYS A 24 -2.539 4.134 -7.661 1.00 73.43 C ATOM 374 C LYS A 24 -2.485 5.221 -6.602 1.00 71.24 C ATOM 375 O LYS A 24 -1.832 6.245 -6.814 1.00 52.53 O ATOM 376 CB LYS A 24 -3.957 3.959 -8.217 1.00 52.11 C ATOM 377 CG LYS A 24 -4.027 3.033 -9.436 1.00 34.24 C ATOM 378 CD LYS A 24 -3.724 3.791 -10.729 1.00 12.32 C ATOM 379 CE LYS A 24 -3.996 2.849 -11.899 1.00 20.01 C ATOM 380 NZ LYS A 24 -4.419 3.586 -13.099 1.00 61.01 N ATOM 0 H LYS A 24 -2.742 2.180 -6.956 1.00 32.23 H new ATOM 0 HA LYS A 24 -1.917 4.412 -8.512 1.00 73.43 H new ATOM 0 HB2 LYS A 24 -4.600 3.562 -7.432 1.00 52.11 H new ATOM 0 HB3 LYS A 24 -4.355 4.936 -8.490 1.00 52.11 H new ATOM 0 HG2 LYS A 24 -3.315 2.216 -9.316 1.00 34.24 H new ATOM 0 HG3 LYS A 24 -5.019 2.585 -9.499 1.00 34.24 H new ATOM 0 HD2 LYS A 24 -4.347 4.682 -10.804 1.00 12.32 H new ATOM 0 HD3 LYS A 24 -2.687 4.125 -10.741 1.00 12.32 H new ATOM 0 HE2 LYS A 24 -3.096 2.275 -12.122 1.00 20.01 H new ATOM 0 HE3 LYS A 24 -4.769 2.134 -11.619 1.00 20.01 H new ATOM 0 HZ1 LYS A 24 -4.595 2.915 -13.874 1.00 61.01 H new ATOM 0 HZ2 LYS A 24 -5.291 4.114 -12.893 1.00 61.01 H new ATOM 0 HZ3 LYS A 24 -3.670 4.251 -13.380 1.00 61.01 H new ATOM 394 N GLU A 25 -3.148 5.000 -5.469 1.00 31.13 N ATOM 395 CA GLU A 25 -3.244 6.009 -4.431 1.00 43.43 C ATOM 396 C GLU A 25 -1.873 6.297 -3.823 1.00 73.23 C ATOM 397 O GLU A 25 -1.579 7.470 -3.609 1.00 4.14 O ATOM 398 CB GLU A 25 -4.280 5.601 -3.381 1.00 31.00 C ATOM 399 CG GLU A 25 -5.730 5.773 -3.859 1.00 71.04 C ATOM 400 CD GLU A 25 -6.176 7.242 -3.927 1.00 65.22 C ATOM 401 OE1 GLU A 25 -5.808 7.951 -4.899 1.00 20.32 O ATOM 402 OE2 GLU A 25 -6.913 7.695 -3.031 1.00 63.23 O ATOM 0 H GLU A 25 -3.626 4.126 -5.251 1.00 31.13 H new ATOM 0 HA GLU A 25 -3.590 6.942 -4.876 1.00 43.43 H new ATOM 0 HB2 GLU A 25 -4.117 4.559 -3.105 1.00 31.00 H new ATOM 0 HB3 GLU A 25 -4.129 6.196 -2.481 1.00 31.00 H new ATOM 0 HG2 GLU A 25 -5.836 5.322 -4.846 1.00 71.04 H new ATOM 0 HG3 GLU A 25 -6.394 5.229 -3.187 1.00 71.04 H new ATOM 409 N PHE A 26 -1.005 5.295 -3.620 1.00 72.23 N ATOM 410 CA PHE A 26 0.327 5.533 -3.047 1.00 71.12 C ATOM 411 C PHE A 26 1.247 6.350 -3.965 1.00 62.25 C ATOM 412 O PHE A 26 2.263 6.875 -3.504 1.00 53.15 O ATOM 413 CB PHE A 26 0.996 4.203 -2.674 1.00 41.55 C ATOM 414 CG PHE A 26 2.243 4.337 -1.804 1.00 74.32 C ATOM 415 CD1 PHE A 26 2.106 4.526 -0.416 1.00 1.53 C ATOM 416 CD2 PHE A 26 3.533 4.216 -2.361 1.00 11.41 C ATOM 417 CE1 PHE A 26 3.239 4.550 0.414 1.00 23.03 C ATOM 418 CE2 PHE A 26 4.671 4.263 -1.531 1.00 70.44 C ATOM 419 CZ PHE A 26 4.522 4.406 -0.142 1.00 42.33 C ATOM 0 H PHE A 26 -1.200 4.319 -3.842 1.00 72.23 H new ATOM 0 HA PHE A 26 0.172 6.131 -2.149 1.00 71.12 H new ATOM 0 HB2 PHE A 26 0.270 3.581 -2.151 1.00 41.55 H new ATOM 0 HB3 PHE A 26 1.264 3.677 -3.591 1.00 41.55 H new ATOM 0 HD1 PHE A 26 1.123 4.653 0.014 1.00 1.53 H new ATOM 0 HD2 PHE A 26 3.649 4.087 -3.427 1.00 11.41 H new ATOM 0 HE1 PHE A 26 3.124 4.679 1.480 1.00 23.03 H new ATOM 0 HE2 PHE A 26 5.658 4.189 -1.963 1.00 70.44 H new ATOM 0 HZ PHE A 26 5.392 4.405 0.498 1.00 42.33 H new ATOM 429 N HIS A 27 0.937 6.462 -5.260 1.00 72.41 N ATOM 430 CA HIS A 27 1.664 7.325 -6.190 1.00 11.22 C ATOM 431 C HIS A 27 0.970 8.678 -6.391 1.00 72.33 C ATOM 432 O HIS A 27 1.476 9.518 -7.138 1.00 3.42 O ATOM 433 CB HIS A 27 1.921 6.583 -7.511 1.00 35.40 C ATOM 434 CG HIS A 27 3.057 5.594 -7.402 1.00 41.43 C ATOM 435 ND1 HIS A 27 4.319 5.880 -6.929 1.00 11.14 N ATOM 436 CD2 HIS A 27 3.046 4.280 -7.780 1.00 61.04 C ATOM 437 CE1 HIS A 27 5.060 4.767 -7.032 1.00 1.21 C ATOM 438 NE2 HIS A 27 4.320 3.758 -7.528 1.00 31.44 N ATOM 0 H HIS A 27 0.168 5.951 -5.694 1.00 72.41 H new ATOM 0 HA HIS A 27 2.633 7.561 -5.751 1.00 11.22 H new ATOM 0 HB2 HIS A 27 1.014 6.059 -7.813 1.00 35.40 H new ATOM 0 HB3 HIS A 27 2.147 7.307 -8.294 1.00 35.40 H new ATOM 0 HD2 HIS A 27 2.207 3.743 -8.197 1.00 61.04 H new ATOM 0 HE1 HIS A 27 6.101 4.691 -6.756 1.00 1.21 H new ATOM 0 HE2 HIS A 27 4.628 2.799 -7.689 1.00 31.44 H new ATOM 446 N CYS A 28 -0.146 8.929 -5.706 1.00 35.30 N ATOM 447 CA CYS A 28 -0.858 10.193 -5.723 1.00 73.23 C ATOM 448 C CYS A 28 -0.787 10.830 -4.335 1.00 45.42 C ATOM 449 O CYS A 28 -0.172 11.889 -4.161 1.00 42.14 O ATOM 450 CB CYS A 28 -2.302 9.961 -6.194 1.00 2.24 C ATOM 451 SG CYS A 28 -3.127 11.565 -6.360 1.00 41.55 S ATOM 0 H CYS A 28 -0.588 8.232 -5.107 1.00 35.30 H new ATOM 0 HA CYS A 28 -0.397 10.887 -6.426 1.00 73.23 H new ATOM 0 HB2 CYS A 28 -2.308 9.433 -7.148 1.00 2.24 H new ATOM 0 HB3 CYS A 28 -2.836 9.334 -5.480 1.00 2.24 H new ATOM 0 HG CYS A 28 -4.351 11.384 -6.760 1.00 41.55 H new ATOM 457 N LYS A 29 -1.439 10.208 -3.356 1.00 72.32 N ATOM 458 CA LYS A 29 -1.743 10.760 -2.046 1.00 25.20 C ATOM 459 C LYS A 29 -0.769 10.226 -1.004 1.00 64.02 C ATOM 460 O LYS A 29 -0.040 9.258 -1.222 1.00 51.13 O ATOM 461 CB LYS A 29 -3.180 10.378 -1.653 1.00 50.22 C ATOM 462 CG LYS A 29 -4.216 10.773 -2.705 1.00 11.54 C ATOM 463 CD LYS A 29 -5.643 10.730 -2.169 1.00 31.21 C ATOM 464 CE LYS A 29 -6.597 10.881 -3.350 1.00 21.21 C ATOM 465 NZ LYS A 29 -7.946 11.293 -2.936 1.00 10.41 N ATOM 0 H LYS A 29 -1.786 9.255 -3.465 1.00 72.32 H new ATOM 0 HA LYS A 29 -1.648 11.845 -2.089 1.00 25.20 H new ATOM 0 HB2 LYS A 29 -3.231 9.302 -1.488 1.00 50.22 H new ATOM 0 HB3 LYS A 29 -3.431 10.858 -0.707 1.00 50.22 H new ATOM 0 HG2 LYS A 29 -3.997 11.778 -3.065 1.00 11.54 H new ATOM 0 HG3 LYS A 29 -4.133 10.103 -3.561 1.00 11.54 H new ATOM 0 HD2 LYS A 29 -5.826 9.790 -1.649 1.00 31.21 H new ATOM 0 HD3 LYS A 29 -5.802 11.530 -1.446 1.00 31.21 H new ATOM 0 HE2 LYS A 29 -6.194 11.616 -4.047 1.00 21.21 H new ATOM 0 HE3 LYS A 29 -6.659 9.934 -3.886 1.00 21.21 H new ATOM 0 HZ1 LYS A 29 -8.555 11.381 -3.775 1.00 10.41 H new ATOM 0 HZ2 LYS A 29 -8.345 10.580 -2.292 1.00 10.41 H new ATOM 0 HZ3 LYS A 29 -7.894 12.210 -2.448 1.00 10.41 H new ATOM 479 N LYS A 30 -0.807 10.857 0.168 1.00 30.24 N ATOM 480 CA LYS A 30 0.118 10.607 1.269 1.00 61.04 C ATOM 481 C LYS A 30 -0.531 9.906 2.452 1.00 32.44 C ATOM 482 O LYS A 30 0.176 9.378 3.310 1.00 50.13 O ATOM 483 CB LYS A 30 0.782 11.915 1.733 1.00 30.13 C ATOM 484 CG LYS A 30 -0.195 13.072 2.000 1.00 5.12 C ATOM 485 CD LYS A 30 -0.521 13.920 0.754 1.00 63.23 C ATOM 486 CE LYS A 30 -1.018 15.304 1.180 1.00 73.23 C ATOM 487 NZ LYS A 30 -1.719 16.020 0.092 1.00 61.11 N ATOM 0 H LYS A 30 -1.500 11.574 0.383 1.00 30.24 H new ATOM 0 HA LYS A 30 0.877 9.931 0.876 1.00 61.04 H new ATOM 0 HB2 LYS A 30 1.347 11.717 2.644 1.00 30.13 H new ATOM 0 HB3 LYS A 30 1.500 12.231 0.976 1.00 30.13 H new ATOM 0 HG2 LYS A 30 -1.123 12.665 2.402 1.00 5.12 H new ATOM 0 HG3 LYS A 30 0.227 13.721 2.767 1.00 5.12 H new ATOM 0 HD2 LYS A 30 0.366 14.019 0.129 1.00 63.23 H new ATOM 0 HD3 LYS A 30 -1.280 13.421 0.152 1.00 63.23 H new ATOM 0 HE2 LYS A 30 -1.690 15.198 2.031 1.00 73.23 H new ATOM 0 HE3 LYS A 30 -0.171 15.902 1.516 1.00 73.23 H new ATOM 0 HZ1 LYS A 30 -2.034 16.950 0.435 1.00 61.11 H new ATOM 0 HZ2 LYS A 30 -1.072 16.148 -0.712 1.00 61.11 H new ATOM 0 HZ3 LYS A 30 -2.545 15.466 -0.213 1.00 61.11 H new ATOM 501 N TYR A 31 -1.861 9.901 2.520 1.00 34.31 N ATOM 502 CA TYR A 31 -2.593 9.210 3.565 1.00 63.15 C ATOM 503 C TYR A 31 -4.010 8.941 3.082 1.00 65.44 C ATOM 504 O TYR A 31 -4.444 9.557 2.106 1.00 53.34 O ATOM 505 CB TYR A 31 -2.584 10.023 4.871 1.00 45.54 C ATOM 506 CG TYR A 31 -2.802 11.522 4.739 1.00 41.41 C ATOM 507 CD1 TYR A 31 -4.075 12.054 4.457 1.00 52.43 C ATOM 508 CD2 TYR A 31 -1.712 12.393 4.917 1.00 62.33 C ATOM 509 CE1 TYR A 31 -4.265 13.448 4.411 1.00 3.53 C ATOM 510 CE2 TYR A 31 -1.893 13.784 4.892 1.00 2.43 C ATOM 511 CZ TYR A 31 -3.174 14.318 4.643 1.00 24.20 C ATOM 512 OH TYR A 31 -3.349 15.665 4.603 1.00 34.01 O ATOM 0 H TYR A 31 -2.458 10.380 1.846 1.00 34.31 H new ATOM 0 HA TYR A 31 -2.109 8.258 3.782 1.00 63.15 H new ATOM 0 HB2 TYR A 31 -3.357 9.622 5.527 1.00 45.54 H new ATOM 0 HB3 TYR A 31 -1.628 9.860 5.368 1.00 45.54 H new ATOM 0 HD1 TYR A 31 -4.908 11.391 4.276 1.00 52.43 H new ATOM 0 HD2 TYR A 31 -0.724 11.986 5.075 1.00 62.33 H new ATOM 0 HE1 TYR A 31 -5.243 13.853 4.199 1.00 3.53 H new ATOM 0 HE2 TYR A 31 -1.055 14.443 5.063 1.00 2.43 H new ATOM 0 HH TYR A 31 -2.496 16.111 4.786 1.00 34.01 H new ATOM 522 N LEU A 32 -4.743 8.084 3.797 1.00 53.14 N ATOM 523 CA LEU A 32 -6.181 7.882 3.633 1.00 63.14 C ATOM 524 C LEU A 32 -6.868 8.282 4.944 1.00 50.13 C ATOM 525 O LEU A 32 -6.606 7.665 5.982 1.00 22.42 O ATOM 526 CB LEU A 32 -6.483 6.408 3.296 1.00 43.23 C ATOM 527 CG LEU A 32 -6.001 5.879 1.930 1.00 74.32 C ATOM 528 CD1 LEU A 32 -6.389 4.399 1.818 1.00 31.13 C ATOM 529 CD2 LEU A 32 -6.574 6.613 0.712 1.00 52.55 C ATOM 0 H LEU A 32 -4.339 7.496 4.526 1.00 53.14 H new ATOM 0 HA LEU A 32 -6.554 8.493 2.811 1.00 63.14 H new ATOM 0 HB2 LEU A 32 -6.038 5.787 4.074 1.00 43.23 H new ATOM 0 HB3 LEU A 32 -7.562 6.264 3.351 1.00 43.23 H new ATOM 0 HG LEU A 32 -4.924 6.043 1.909 1.00 74.32 H new ATOM 0 HD11 LEU A 32 -6.056 4.007 0.857 1.00 31.13 H new ATOM 0 HD12 LEU A 32 -5.916 3.837 2.623 1.00 31.13 H new ATOM 0 HD13 LEU A 32 -7.472 4.300 1.894 1.00 31.13 H new ATOM 0 HD21 LEU A 32 -6.177 6.169 -0.201 1.00 52.55 H new ATOM 0 HD22 LEU A 32 -7.661 6.528 0.714 1.00 52.55 H new ATOM 0 HD23 LEU A 32 -6.293 7.665 0.756 1.00 52.55 H new ATOM 541 N SER A 33 -7.728 9.306 4.917 1.00 5.30 N ATOM 542 CA SER A 33 -8.726 9.548 5.967 1.00 31.43 C ATOM 543 C SER A 33 -9.786 8.427 5.975 1.00 62.01 C ATOM 544 O SER A 33 -9.700 7.482 5.194 1.00 70.24 O ATOM 545 CB SER A 33 -9.336 10.952 5.789 1.00 42.33 C ATOM 546 OG SER A 33 -8.671 11.878 6.625 1.00 5.34 O ATOM 0 H SER A 33 -7.752 9.993 4.164 1.00 5.30 H new ATOM 0 HA SER A 33 -8.247 9.525 6.946 1.00 31.43 H new ATOM 0 HB2 SER A 33 -9.253 11.264 4.748 1.00 42.33 H new ATOM 0 HB3 SER A 33 -10.399 10.929 6.031 1.00 42.33 H new ATOM 0 HG SER A 33 -9.063 12.768 6.505 1.00 5.34 H new ATOM 552 N LEU A 34 -10.765 8.510 6.882 1.00 50.45 N ATOM 553 CA LEU A 34 -11.742 7.460 7.165 1.00 32.13 C ATOM 554 C LEU A 34 -12.537 7.070 5.919 1.00 44.25 C ATOM 555 O LEU A 34 -12.506 5.914 5.506 1.00 4.42 O ATOM 556 CB LEU A 34 -12.705 7.926 8.273 1.00 71.32 C ATOM 557 CG LEU A 34 -12.216 7.858 9.731 1.00 32.13 C ATOM 558 CD1 LEU A 34 -11.976 6.415 10.177 1.00 23.33 C ATOM 559 CD2 LEU A 34 -10.959 8.693 9.987 1.00 22.02 C ATOM 0 H LEU A 34 -10.901 9.341 7.458 1.00 50.45 H new ATOM 0 HA LEU A 34 -11.193 6.579 7.498 1.00 32.13 H new ATOM 0 HB2 LEU A 34 -12.982 8.959 8.062 1.00 71.32 H new ATOM 0 HB3 LEU A 34 -13.614 7.330 8.198 1.00 71.32 H new ATOM 0 HG LEU A 34 -13.021 8.289 10.326 1.00 32.13 H new ATOM 0 HD11 LEU A 34 -11.632 6.406 11.211 1.00 23.33 H new ATOM 0 HD12 LEU A 34 -12.905 5.851 10.099 1.00 23.33 H new ATOM 0 HD13 LEU A 34 -11.220 5.958 9.539 1.00 23.33 H new ATOM 0 HD21 LEU A 34 -10.668 8.601 11.033 1.00 22.02 H new ATOM 0 HD22 LEU A 34 -10.149 8.335 9.352 1.00 22.02 H new ATOM 0 HD23 LEU A 34 -11.164 9.739 9.758 1.00 22.02 H new ATOM 571 N THR A 35 -13.228 8.026 5.297 1.00 63.45 N ATOM 572 CA THR A 35 -13.975 7.772 4.067 1.00 31.44 C ATOM 573 C THR A 35 -13.061 7.292 2.933 1.00 64.11 C ATOM 574 O THR A 35 -13.490 6.553 2.051 1.00 30.00 O ATOM 575 CB THR A 35 -14.771 9.039 3.707 1.00 71.02 C ATOM 576 OG1 THR A 35 -15.898 9.142 4.566 1.00 5.35 O ATOM 577 CG2 THR A 35 -15.238 9.078 2.252 1.00 3.44 C ATOM 0 H THR A 35 -13.285 8.989 5.628 1.00 63.45 H new ATOM 0 HA THR A 35 -14.679 6.955 4.224 1.00 31.44 H new ATOM 0 HB THR A 35 -14.094 9.883 3.839 1.00 71.02 H new ATOM 0 HG1 THR A 35 -16.408 9.949 4.342 1.00 5.35 H new ATOM 0 HG21 THR A 35 -15.792 9.999 2.072 1.00 3.44 H new ATOM 0 HG22 THR A 35 -14.372 9.040 1.591 1.00 3.44 H new ATOM 0 HG23 THR A 35 -15.883 8.222 2.054 1.00 3.44 H new ATOM 585 N GLU A 36 -11.797 7.688 2.937 1.00 70.24 N ATOM 586 CA GLU A 36 -10.855 7.345 1.884 1.00 2.33 C ATOM 587 C GLU A 36 -10.522 5.859 2.007 1.00 31.42 C ATOM 588 O GLU A 36 -10.657 5.085 1.064 1.00 30.34 O ATOM 589 CB GLU A 36 -9.624 8.244 2.004 1.00 21.11 C ATOM 590 CG GLU A 36 -9.921 9.706 2.381 1.00 14.24 C ATOM 591 CD GLU A 36 -11.167 10.337 1.752 1.00 10.41 C ATOM 592 OE1 GLU A 36 -11.236 10.522 0.519 1.00 72.15 O ATOM 593 OE2 GLU A 36 -12.059 10.704 2.548 1.00 70.41 O ATOM 0 H GLU A 36 -11.394 8.261 3.678 1.00 70.24 H new ATOM 0 HA GLU A 36 -11.276 7.512 0.893 1.00 2.33 H new ATOM 0 HB2 GLU A 36 -8.955 7.820 2.753 1.00 21.11 H new ATOM 0 HB3 GLU A 36 -9.089 8.231 1.054 1.00 21.11 H new ATOM 0 HG2 GLU A 36 -10.020 9.765 3.465 1.00 14.24 H new ATOM 0 HG3 GLU A 36 -9.057 10.311 2.106 1.00 14.24 H new ATOM 600 N ARG A 37 -10.191 5.444 3.231 1.00 73.35 N ATOM 601 CA ARG A 37 -10.100 4.044 3.627 1.00 50.12 C ATOM 602 C ARG A 37 -11.357 3.280 3.224 1.00 74.03 C ATOM 603 O ARG A 37 -11.218 2.220 2.621 1.00 65.34 O ATOM 604 CB ARG A 37 -9.819 3.915 5.135 1.00 21.44 C ATOM 605 CG ARG A 37 -8.328 3.682 5.409 1.00 70.42 C ATOM 606 CD ARG A 37 -7.990 3.885 6.885 1.00 4.40 C ATOM 607 NE ARG A 37 -7.840 5.313 7.213 1.00 5.40 N ATOM 608 CZ ARG A 37 -8.029 5.882 8.406 1.00 22.41 C ATOM 609 NH1 ARG A 37 -8.648 5.230 9.384 1.00 63.32 N ATOM 610 NH2 ARG A 37 -7.561 7.107 8.599 1.00 65.01 N ATOM 0 H ARG A 37 -9.974 6.090 3.990 1.00 73.35 H new ATOM 0 HA ARG A 37 -9.260 3.596 3.097 1.00 50.12 H new ATOM 0 HB2 ARG A 37 -10.147 4.820 5.646 1.00 21.44 H new ATOM 0 HB3 ARG A 37 -10.399 3.089 5.545 1.00 21.44 H new ATOM 0 HG2 ARG A 37 -8.056 2.670 5.108 1.00 70.42 H new ATOM 0 HG3 ARG A 37 -7.735 4.365 4.802 1.00 70.42 H new ATOM 0 HD2 ARG A 37 -8.776 3.449 7.502 1.00 4.40 H new ATOM 0 HD3 ARG A 37 -7.067 3.357 7.124 1.00 4.40 H new ATOM 0 HE ARG A 37 -7.563 5.931 6.450 1.00 5.40 H new ATOM 0 HH11 ARG A 37 -8.987 4.280 9.229 1.00 63.32 H new ATOM 0 HH12 ARG A 37 -8.784 5.679 10.290 1.00 63.32 H new ATOM 0 HH21 ARG A 37 -7.071 7.590 7.846 1.00 65.01 H new ATOM 0 HH22 ARG A 37 -7.691 7.566 9.500 1.00 65.01 H new ATOM 624 N SER A 38 -12.549 3.791 3.532 1.00 13.31 N ATOM 625 CA SER A 38 -13.814 3.161 3.172 1.00 3.21 C ATOM 626 C SER A 38 -13.833 2.809 1.679 1.00 42.33 C ATOM 627 O SER A 38 -14.060 1.647 1.340 1.00 50.55 O ATOM 628 CB SER A 38 -14.969 4.084 3.578 1.00 1.51 C ATOM 629 OG SER A 38 -16.216 3.419 3.620 1.00 70.45 O ATOM 0 H SER A 38 -12.662 4.665 4.045 1.00 13.31 H new ATOM 0 HA SER A 38 -13.933 2.221 3.711 1.00 3.21 H new ATOM 0 HB2 SER A 38 -14.758 4.512 4.558 1.00 1.51 H new ATOM 0 HB3 SER A 38 -15.029 4.914 2.874 1.00 1.51 H new ATOM 0 HG SER A 38 -16.916 4.052 3.885 1.00 70.45 H new ATOM 635 N GLN A 39 -13.541 3.773 0.796 1.00 13.11 N ATOM 636 CA GLN A 39 -13.551 3.584 -0.647 1.00 61.03 C ATOM 637 C GLN A 39 -12.555 2.502 -1.050 1.00 71.35 C ATOM 638 O GLN A 39 -12.956 1.483 -1.605 1.00 23.31 O ATOM 639 CB GLN A 39 -13.229 4.911 -1.350 1.00 62.43 C ATOM 640 CG GLN A 39 -14.309 5.980 -1.144 1.00 42.44 C ATOM 641 CD GLN A 39 -13.759 7.358 -1.492 1.00 44.22 C ATOM 642 OE1 GLN A 39 -13.628 7.714 -2.656 1.00 21.00 O ATOM 643 NE2 GLN A 39 -13.357 8.123 -0.493 1.00 50.41 N ATOM 0 H GLN A 39 -13.288 4.720 1.077 1.00 13.11 H new ATOM 0 HA GLN A 39 -14.545 3.259 -0.955 1.00 61.03 H new ATOM 0 HB2 GLN A 39 -12.276 5.290 -0.979 1.00 62.43 H new ATOM 0 HB3 GLN A 39 -13.106 4.729 -2.418 1.00 62.43 H new ATOM 0 HG2 GLN A 39 -15.175 5.758 -1.768 1.00 42.44 H new ATOM 0 HG3 GLN A 39 -14.651 5.968 -0.109 1.00 42.44 H new ATOM 0 HE21 GLN A 39 -13.475 7.808 0.470 1.00 50.41 H new ATOM 0 HE22 GLN A 39 -12.928 9.029 -0.685 1.00 50.41 H new ATOM 652 N ILE A 40 -11.268 2.684 -0.748 1.00 31.33 N ATOM 653 CA ILE A 40 -10.196 1.806 -1.238 1.00 24.14 C ATOM 654 C ILE A 40 -10.275 0.406 -0.605 1.00 44.52 C ATOM 655 O ILE A 40 -9.599 -0.521 -1.032 1.00 11.40 O ATOM 656 CB ILE A 40 -8.834 2.522 -1.029 1.00 71.42 C ATOM 657 CG1 ILE A 40 -8.811 3.948 -1.626 1.00 2.44 C ATOM 658 CG2 ILE A 40 -7.633 1.748 -1.614 1.00 1.24 C ATOM 659 CD1 ILE A 40 -9.375 4.016 -3.044 1.00 61.45 C ATOM 0 H ILE A 40 -10.936 3.445 -0.156 1.00 31.33 H new ATOM 0 HA ILE A 40 -10.313 1.626 -2.307 1.00 24.14 H new ATOM 0 HB ILE A 40 -8.732 2.570 0.055 1.00 71.42 H new ATOM 0 HG12 ILE A 40 -9.385 4.614 -0.981 1.00 2.44 H new ATOM 0 HG13 ILE A 40 -7.785 4.316 -1.632 1.00 2.44 H new ATOM 0 HG21 ILE A 40 -6.716 2.307 -1.431 1.00 1.24 H new ATOM 0 HG22 ILE A 40 -7.563 0.770 -1.137 1.00 1.24 H new ATOM 0 HG23 ILE A 40 -7.771 1.619 -2.687 1.00 1.24 H new ATOM 0 HD11 ILE A 40 -9.330 5.044 -3.405 1.00 61.45 H new ATOM 0 HD12 ILE A 40 -8.787 3.375 -3.701 1.00 61.45 H new ATOM 0 HD13 ILE A 40 -10.411 3.678 -3.040 1.00 61.45 H new ATOM 671 N ALA A 41 -11.129 0.232 0.395 1.00 24.01 N ATOM 672 CA ALA A 41 -11.467 -1.058 0.967 1.00 22.03 C ATOM 673 C ALA A 41 -12.625 -1.667 0.190 1.00 74.14 C ATOM 674 O ALA A 41 -12.498 -2.764 -0.354 1.00 62.31 O ATOM 675 CB ALA A 41 -11.788 -0.895 2.455 1.00 50.42 C ATOM 0 H ALA A 41 -11.618 1.008 0.841 1.00 24.01 H new ATOM 0 HA ALA A 41 -10.621 -1.741 0.890 1.00 22.03 H new ATOM 0 HB1 ALA A 41 -12.041 -1.866 2.881 1.00 50.42 H new ATOM 0 HB2 ALA A 41 -10.919 -0.487 2.972 1.00 50.42 H new ATOM 0 HB3 ALA A 41 -12.632 -0.216 2.573 1.00 50.42 H new ATOM 681 N HIS A 42 -13.768 -0.977 0.155 1.00 70.14 N ATOM 682 CA HIS A 42 -15.003 -1.531 -0.381 1.00 62.25 C ATOM 683 C HIS A 42 -14.887 -1.760 -1.893 1.00 63.13 C ATOM 684 O HIS A 42 -15.409 -2.759 -2.394 1.00 23.01 O ATOM 685 CB HIS A 42 -16.186 -0.620 -0.014 1.00 41.34 C ATOM 686 CG HIS A 42 -17.463 -1.381 0.235 1.00 65.05 C ATOM 687 ND1 HIS A 42 -18.057 -1.581 1.463 1.00 51.51 N ATOM 688 CD2 HIS A 42 -18.213 -2.038 -0.702 1.00 11.14 C ATOM 689 CE1 HIS A 42 -19.143 -2.343 1.273 1.00 52.45 C ATOM 690 NE2 HIS A 42 -19.286 -2.640 -0.030 1.00 3.50 N ATOM 0 H HIS A 42 -13.858 -0.021 0.498 1.00 70.14 H new ATOM 0 HA HIS A 42 -15.186 -2.507 0.068 1.00 62.25 H new ATOM 0 HB2 HIS A 42 -15.932 -0.046 0.877 1.00 41.34 H new ATOM 0 HB3 HIS A 42 -16.348 0.097 -0.819 1.00 41.34 H new ATOM 0 HD2 HIS A 42 -18.015 -2.084 -1.763 1.00 11.14 H new ATOM 0 HE1 HIS A 42 -19.809 -2.672 2.057 1.00 52.45 H new ATOM 0 HE2 HIS A 42 -20.031 -3.196 -0.449 1.00 3.50 H new ATOM 698 N ALA A 43 -14.133 -0.903 -2.595 1.00 32.03 N ATOM 699 CA ALA A 43 -13.836 -1.032 -4.021 1.00 13.24 C ATOM 700 C ALA A 43 -13.035 -2.301 -4.338 1.00 55.14 C ATOM 701 O ALA A 43 -12.962 -2.720 -5.497 1.00 41.34 O ATOM 702 CB ALA A 43 -13.037 0.190 -4.487 1.00 12.20 C ATOM 0 H ALA A 43 -13.703 -0.080 -2.172 1.00 32.03 H new ATOM 0 HA ALA A 43 -14.788 -1.098 -4.547 1.00 13.24 H new ATOM 0 HB1 ALA A 43 -12.815 0.096 -5.550 1.00 12.20 H new ATOM 0 HB2 ALA A 43 -13.622 1.094 -4.318 1.00 12.20 H new ATOM 0 HB3 ALA A 43 -12.105 0.251 -3.925 1.00 12.20 H new ATOM 708 N LEU A 44 -12.414 -2.903 -3.320 1.00 21.23 N ATOM 709 CA LEU A 44 -11.541 -4.060 -3.433 1.00 4.32 C ATOM 710 C LEU A 44 -12.096 -5.245 -2.649 1.00 20.31 C ATOM 711 O LEU A 44 -11.400 -6.252 -2.520 1.00 0.32 O ATOM 712 CB LEU A 44 -10.118 -3.710 -2.953 1.00 54.44 C ATOM 713 CG LEU A 44 -9.460 -2.502 -3.643 1.00 13.30 C ATOM 714 CD1 LEU A 44 -8.027 -2.350 -3.130 1.00 40.12 C ATOM 715 CD2 LEU A 44 -9.426 -2.635 -5.168 1.00 54.53 C ATOM 0 H LEU A 44 -12.514 -2.579 -2.358 1.00 21.23 H new ATOM 0 HA LEU A 44 -11.493 -4.346 -4.484 1.00 4.32 H new ATOM 0 HB2 LEU A 44 -10.153 -3.518 -1.881 1.00 54.44 H new ATOM 0 HB3 LEU A 44 -9.480 -4.581 -3.100 1.00 54.44 H new ATOM 0 HG LEU A 44 -10.063 -1.626 -3.402 1.00 13.30 H new ATOM 0 HD11 LEU A 44 -7.555 -1.496 -3.615 1.00 40.12 H new ATOM 0 HD12 LEU A 44 -8.041 -2.192 -2.052 1.00 40.12 H new ATOM 0 HD13 LEU A 44 -7.462 -3.254 -3.357 1.00 40.12 H new ATOM 0 HD21 LEU A 44 -8.951 -1.754 -5.600 1.00 54.53 H new ATOM 0 HD22 LEU A 44 -8.859 -3.524 -5.443 1.00 54.53 H new ATOM 0 HD23 LEU A 44 -10.444 -2.721 -5.548 1.00 54.53 H new ATOM 727 N LYS A 45 -13.316 -5.126 -2.099 1.00 20.13 N ATOM 728 CA LYS A 45 -13.962 -6.088 -1.199 1.00 71.13 C ATOM 729 C LYS A 45 -13.161 -6.392 0.079 1.00 21.41 C ATOM 730 O LYS A 45 -13.585 -7.248 0.857 1.00 20.32 O ATOM 731 CB LYS A 45 -14.337 -7.357 -1.993 1.00 42.41 C ATOM 732 CG LYS A 45 -15.558 -7.122 -2.891 1.00 55.45 C ATOM 733 CD LYS A 45 -15.988 -8.416 -3.591 1.00 13.42 C ATOM 734 CE LYS A 45 -17.269 -8.215 -4.405 1.00 53.14 C ATOM 735 NZ LYS A 45 -17.033 -7.500 -5.676 1.00 63.02 N ATOM 0 H LYS A 45 -13.906 -4.314 -2.281 1.00 20.13 H new ATOM 0 HA LYS A 45 -14.874 -5.625 -0.821 1.00 71.13 H new ATOM 0 HB2 LYS A 45 -13.490 -7.668 -2.604 1.00 42.41 H new ATOM 0 HB3 LYS A 45 -14.546 -8.172 -1.300 1.00 42.41 H new ATOM 0 HG2 LYS A 45 -16.384 -6.737 -2.293 1.00 55.45 H new ATOM 0 HG3 LYS A 45 -15.324 -6.362 -3.637 1.00 55.45 H new ATOM 0 HD2 LYS A 45 -15.188 -8.759 -4.248 1.00 13.42 H new ATOM 0 HD3 LYS A 45 -16.147 -9.197 -2.848 1.00 13.42 H new ATOM 0 HE2 LYS A 45 -17.715 -9.186 -4.617 1.00 53.14 H new ATOM 0 HE3 LYS A 45 -17.990 -7.657 -3.808 1.00 53.14 H new ATOM 0 HZ1 LYS A 45 -17.933 -7.392 -6.186 1.00 63.02 H new ATOM 0 HZ2 LYS A 45 -16.633 -6.561 -5.477 1.00 63.02 H new ATOM 0 HZ3 LYS A 45 -16.367 -8.043 -6.261 1.00 63.02 H new ATOM 749 N LEU A 46 -12.058 -5.691 0.337 1.00 4.33 N ATOM 750 CA LEU A 46 -11.231 -5.851 1.528 1.00 65.05 C ATOM 751 C LEU A 46 -11.859 -5.101 2.694 1.00 2.24 C ATOM 752 O LEU A 46 -12.709 -4.226 2.511 1.00 45.22 O ATOM 753 CB LEU A 46 -9.825 -5.300 1.235 1.00 1.11 C ATOM 754 CG LEU A 46 -8.976 -6.282 0.411 1.00 40.44 C ATOM 755 CD1 LEU A 46 -7.780 -5.556 -0.200 1.00 43.12 C ATOM 756 CD2 LEU A 46 -8.449 -7.430 1.280 1.00 64.12 C ATOM 0 H LEU A 46 -11.706 -4.974 -0.298 1.00 4.33 H new ATOM 0 HA LEU A 46 -11.159 -6.906 1.792 1.00 65.05 H new ATOM 0 HB2 LEU A 46 -9.912 -4.357 0.696 1.00 1.11 H new ATOM 0 HB3 LEU A 46 -9.318 -5.085 2.175 1.00 1.11 H new ATOM 0 HG LEU A 46 -9.616 -6.689 -0.371 1.00 40.44 H new ATOM 0 HD11 LEU A 46 -7.185 -6.260 -0.782 1.00 43.12 H new ATOM 0 HD12 LEU A 46 -8.133 -4.756 -0.850 1.00 43.12 H new ATOM 0 HD13 LEU A 46 -7.166 -5.133 0.595 1.00 43.12 H new ATOM 0 HD21 LEU A 46 -7.853 -8.106 0.667 1.00 64.12 H new ATOM 0 HD22 LEU A 46 -7.830 -7.026 2.081 1.00 64.12 H new ATOM 0 HD23 LEU A 46 -9.289 -7.976 1.710 1.00 64.12 H new ATOM 768 N SER A 47 -11.393 -5.397 3.908 1.00 14.30 N ATOM 769 CA SER A 47 -11.701 -4.590 5.078 1.00 41.34 C ATOM 770 C SER A 47 -10.737 -3.408 5.122 1.00 43.43 C ATOM 771 O SER A 47 -9.606 -3.503 4.634 1.00 32.43 O ATOM 772 CB SER A 47 -11.614 -5.424 6.367 1.00 65.31 C ATOM 773 OG SER A 47 -11.488 -6.817 6.119 1.00 13.13 O ATOM 0 H SER A 47 -10.795 -6.200 4.102 1.00 14.30 H new ATOM 0 HA SER A 47 -12.725 -4.223 5.007 1.00 41.34 H new ATOM 0 HB2 SER A 47 -10.760 -5.086 6.955 1.00 65.31 H new ATOM 0 HB3 SER A 47 -12.505 -5.247 6.969 1.00 65.31 H new ATOM 0 HG SER A 47 -11.435 -7.298 6.971 1.00 13.13 H new ATOM 779 N GLU A 48 -11.148 -2.316 5.770 1.00 72.25 N ATOM 780 CA GLU A 48 -10.333 -1.109 5.890 1.00 24.00 C ATOM 781 C GLU A 48 -9.006 -1.428 6.571 1.00 22.42 C ATOM 782 O GLU A 48 -7.963 -0.968 6.122 1.00 41.52 O ATOM 783 CB GLU A 48 -11.085 -0.020 6.665 1.00 51.13 C ATOM 784 CG GLU A 48 -12.310 0.515 5.915 1.00 13.21 C ATOM 785 CD GLU A 48 -13.120 1.486 6.779 1.00 50.53 C ATOM 786 OE1 GLU A 48 -12.546 2.475 7.294 1.00 70.21 O ATOM 787 OE2 GLU A 48 -14.320 1.215 7.010 1.00 41.43 O ATOM 0 H GLU A 48 -12.057 -2.245 6.227 1.00 72.25 H new ATOM 0 HA GLU A 48 -10.128 -0.734 4.887 1.00 24.00 H new ATOM 0 HB2 GLU A 48 -11.402 -0.421 7.628 1.00 51.13 H new ATOM 0 HB3 GLU A 48 -10.404 0.806 6.872 1.00 51.13 H new ATOM 0 HG2 GLU A 48 -11.988 1.019 5.004 1.00 13.21 H new ATOM 0 HG3 GLU A 48 -12.944 -0.318 5.611 1.00 13.21 H new ATOM 794 N VAL A 49 -9.026 -2.239 7.634 1.00 45.33 N ATOM 795 CA VAL A 49 -7.817 -2.600 8.372 1.00 54.14 C ATOM 796 C VAL A 49 -6.794 -3.288 7.452 1.00 65.41 C ATOM 797 O VAL A 49 -5.605 -2.979 7.521 1.00 31.24 O ATOM 798 CB VAL A 49 -8.192 -3.444 9.604 1.00 30.24 C ATOM 799 CG1 VAL A 49 -6.947 -3.872 10.385 1.00 64.45 C ATOM 800 CG2 VAL A 49 -9.093 -2.648 10.563 1.00 24.22 C ATOM 0 H VAL A 49 -9.878 -2.661 8.004 1.00 45.33 H new ATOM 0 HA VAL A 49 -7.328 -1.697 8.737 1.00 54.14 H new ATOM 0 HB VAL A 49 -8.718 -4.323 9.231 1.00 30.24 H new ATOM 0 HG11 VAL A 49 -7.246 -4.466 11.249 1.00 64.45 H new ATOM 0 HG12 VAL A 49 -6.300 -4.468 9.741 1.00 64.45 H new ATOM 0 HG13 VAL A 49 -6.407 -2.987 10.723 1.00 64.45 H new ATOM 0 HG21 VAL A 49 -9.343 -3.267 11.425 1.00 24.22 H new ATOM 0 HG22 VAL A 49 -8.567 -1.754 10.899 1.00 24.22 H new ATOM 0 HG23 VAL A 49 -10.008 -2.358 10.046 1.00 24.22 H new ATOM 810 N GLN A 50 -7.239 -4.175 6.559 1.00 3.10 N ATOM 811 CA GLN A 50 -6.362 -4.916 5.663 1.00 74.12 C ATOM 812 C GLN A 50 -5.597 -3.945 4.757 1.00 4.31 C ATOM 813 O GLN A 50 -4.368 -3.986 4.688 1.00 54.51 O ATOM 814 CB GLN A 50 -7.192 -5.931 4.847 1.00 31.43 C ATOM 815 CG GLN A 50 -8.090 -6.878 5.666 1.00 21.02 C ATOM 816 CD GLN A 50 -7.310 -7.776 6.633 1.00 70.22 C ATOM 817 OE1 GLN A 50 -6.690 -7.299 7.582 1.00 14.41 O ATOM 818 NE2 GLN A 50 -7.327 -9.080 6.422 1.00 51.13 N ATOM 0 H GLN A 50 -8.227 -4.398 6.440 1.00 3.10 H new ATOM 0 HA GLN A 50 -5.626 -5.473 6.242 1.00 74.12 H new ATOM 0 HB2 GLN A 50 -7.821 -5.379 4.148 1.00 31.43 H new ATOM 0 HB3 GLN A 50 -6.508 -6.535 4.251 1.00 31.43 H new ATOM 0 HG2 GLN A 50 -8.808 -6.285 6.232 1.00 21.02 H new ATOM 0 HG3 GLN A 50 -8.663 -7.505 4.982 1.00 21.02 H new ATOM 0 HE21 GLN A 50 -7.845 -9.462 5.631 1.00 51.13 H new ATOM 0 HE22 GLN A 50 -6.822 -9.705 7.050 1.00 51.13 H new ATOM 827 N VAL A 51 -6.315 -3.047 4.081 1.00 62.12 N ATOM 828 CA VAL A 51 -5.728 -2.029 3.212 1.00 64.31 C ATOM 829 C VAL A 51 -4.834 -1.091 4.037 1.00 63.14 C ATOM 830 O VAL A 51 -3.693 -0.818 3.665 1.00 50.54 O ATOM 831 CB VAL A 51 -6.873 -1.276 2.515 1.00 14.13 C ATOM 832 CG1 VAL A 51 -6.372 -0.106 1.660 1.00 31.04 C ATOM 833 CG2 VAL A 51 -7.719 -2.195 1.625 1.00 32.14 C ATOM 0 H VAL A 51 -7.333 -3.007 4.123 1.00 62.12 H new ATOM 0 HA VAL A 51 -5.094 -2.483 2.450 1.00 64.31 H new ATOM 0 HB VAL A 51 -7.489 -0.890 3.327 1.00 14.13 H new ATOM 0 HG11 VAL A 51 -7.221 0.391 1.190 1.00 31.04 H new ATOM 0 HG12 VAL A 51 -5.839 0.605 2.292 1.00 31.04 H new ATOM 0 HG13 VAL A 51 -5.699 -0.481 0.889 1.00 31.04 H new ATOM 0 HG21 VAL A 51 -8.514 -1.616 1.155 1.00 32.14 H new ATOM 0 HG22 VAL A 51 -7.088 -2.637 0.854 1.00 32.14 H new ATOM 0 HG23 VAL A 51 -8.157 -2.987 2.232 1.00 32.14 H new ATOM 843 N LYS A 52 -5.322 -0.624 5.188 1.00 11.40 N ATOM 844 CA LYS A 52 -4.606 0.237 6.127 1.00 64.22 C ATOM 845 C LYS A 52 -3.242 -0.359 6.489 1.00 23.14 C ATOM 846 O LYS A 52 -2.278 0.405 6.610 1.00 62.02 O ATOM 847 CB LYS A 52 -5.540 0.443 7.333 1.00 4.54 C ATOM 848 CG LYS A 52 -4.960 1.111 8.581 1.00 12.23 C ATOM 849 CD LYS A 52 -6.020 1.164 9.702 1.00 1.53 C ATOM 850 CE LYS A 52 -5.426 0.925 11.096 1.00 70.41 C ATOM 851 NZ LYS A 52 -4.586 2.039 11.576 1.00 65.14 N ATOM 0 H LYS A 52 -6.267 -0.846 5.503 1.00 11.40 H new ATOM 0 HA LYS A 52 -4.369 1.208 5.693 1.00 64.22 H new ATOM 0 HB2 LYS A 52 -6.390 1.038 7.000 1.00 4.54 H new ATOM 0 HB3 LYS A 52 -5.929 -0.532 7.626 1.00 4.54 H new ATOM 0 HG2 LYS A 52 -4.085 0.559 8.924 1.00 12.23 H new ATOM 0 HG3 LYS A 52 -4.625 2.120 8.340 1.00 12.23 H new ATOM 0 HD2 LYS A 52 -6.512 2.136 9.684 1.00 1.53 H new ATOM 0 HD3 LYS A 52 -6.787 0.415 9.506 1.00 1.53 H new ATOM 0 HE2 LYS A 52 -6.238 0.761 11.805 1.00 70.41 H new ATOM 0 HE3 LYS A 52 -4.830 0.013 11.077 1.00 70.41 H new ATOM 0 HZ1 LYS A 52 -4.217 1.813 12.522 1.00 65.14 H new ATOM 0 HZ2 LYS A 52 -3.792 2.183 10.920 1.00 65.14 H new ATOM 0 HZ3 LYS A 52 -5.156 2.907 11.625 1.00 65.14 H new ATOM 865 N ILE A 53 -3.142 -1.679 6.674 1.00 23.13 N ATOM 866 CA ILE A 53 -1.881 -2.366 6.945 1.00 1.14 C ATOM 867 C ILE A 53 -0.981 -2.342 5.701 1.00 31.20 C ATOM 868 O ILE A 53 0.232 -2.174 5.835 1.00 45.41 O ATOM 869 CB ILE A 53 -2.152 -3.805 7.449 1.00 22.01 C ATOM 870 CG1 ILE A 53 -2.751 -3.738 8.871 1.00 45.44 C ATOM 871 CG2 ILE A 53 -0.867 -4.655 7.476 1.00 4.42 C ATOM 872 CD1 ILE A 53 -3.407 -5.036 9.336 1.00 43.12 C ATOM 0 H ILE A 53 -3.946 -2.306 6.639 1.00 23.13 H new ATOM 0 HA ILE A 53 -1.347 -1.842 7.737 1.00 1.14 H new ATOM 0 HB ILE A 53 -2.851 -4.279 6.760 1.00 22.01 H new ATOM 0 HG12 ILE A 53 -1.961 -3.471 9.573 1.00 45.44 H new ATOM 0 HG13 ILE A 53 -3.491 -2.938 8.904 1.00 45.44 H new ATOM 0 HG21 ILE A 53 -1.101 -5.657 7.835 1.00 4.42 H new ATOM 0 HG22 ILE A 53 -0.451 -4.718 6.470 1.00 4.42 H new ATOM 0 HG23 ILE A 53 -0.138 -4.192 8.141 1.00 4.42 H new ATOM 0 HD11 ILE A 53 -3.802 -4.904 10.343 1.00 43.12 H new ATOM 0 HD12 ILE A 53 -4.221 -5.295 8.659 1.00 43.12 H new ATOM 0 HD13 ILE A 53 -2.668 -5.837 9.338 1.00 43.12 H new ATOM 884 N TRP A 54 -1.534 -2.503 4.500 1.00 25.12 N ATOM 885 CA TRP A 54 -0.738 -2.513 3.282 1.00 14.51 C ATOM 886 C TRP A 54 -0.027 -1.168 3.096 1.00 25.33 C ATOM 887 O TRP A 54 1.201 -1.155 3.006 1.00 23.14 O ATOM 888 CB TRP A 54 -1.608 -2.901 2.085 1.00 24.20 C ATOM 889 CG TRP A 54 -0.848 -3.543 0.969 1.00 73.43 C ATOM 890 CD1 TRP A 54 -0.743 -4.872 0.769 1.00 64.22 C ATOM 891 CD2 TRP A 54 -0.167 -2.921 -0.157 1.00 74.43 C ATOM 892 NE1 TRP A 54 -0.048 -5.122 -0.398 1.00 3.21 N ATOM 893 CE2 TRP A 54 0.319 -3.946 -1.027 1.00 41.24 C ATOM 894 CE3 TRP A 54 0.021 -1.588 -0.567 1.00 25.20 C ATOM 895 CZ2 TRP A 54 0.945 -3.642 -2.252 1.00 33.30 C ATOM 896 CZ3 TRP A 54 0.601 -1.287 -1.811 1.00 35.14 C ATOM 897 CH2 TRP A 54 1.059 -2.305 -2.650 1.00 32.14 C ATOM 0 H TRP A 54 -2.535 -2.629 4.348 1.00 25.12 H new ATOM 0 HA TRP A 54 0.043 -3.269 3.362 1.00 14.51 H new ATOM 0 HB2 TRP A 54 -2.388 -3.584 2.421 1.00 24.20 H new ATOM 0 HB3 TRP A 54 -2.107 -2.009 1.706 1.00 24.20 H new ATOM 0 HD1 TRP A 54 -1.144 -5.630 1.425 1.00 64.22 H new ATOM 0 HE1 TRP A 54 0.167 -6.055 -0.751 1.00 3.21 H new ATOM 0 HE3 TRP A 54 -0.285 -0.783 0.085 1.00 25.20 H new ATOM 0 HZ2 TRP A 54 1.333 -4.432 -2.877 1.00 33.30 H new ATOM 0 HZ3 TRP A 54 0.694 -0.257 -2.122 1.00 35.14 H new ATOM 0 HH2 TRP A 54 1.501 -2.061 -3.605 1.00 32.14 H new ATOM 908 N PHE A 55 -0.757 -0.048 3.121 1.00 30.11 N ATOM 909 CA PHE A 55 -0.194 1.295 2.937 1.00 5.43 C ATOM 910 C PHE A 55 0.889 1.593 3.982 1.00 70.01 C ATOM 911 O PHE A 55 1.908 2.184 3.633 1.00 4.31 O ATOM 912 CB PHE A 55 -1.311 2.360 3.059 1.00 34.01 C ATOM 913 CG PHE A 55 -2.131 2.658 1.813 1.00 73.21 C ATOM 914 CD1 PHE A 55 -3.199 1.820 1.436 1.00 21.02 C ATOM 915 CD2 PHE A 55 -1.878 3.828 1.066 1.00 23.00 C ATOM 916 CE1 PHE A 55 -4.003 2.152 0.332 1.00 73.33 C ATOM 917 CE2 PHE A 55 -2.685 4.160 -0.037 1.00 31.01 C ATOM 918 CZ PHE A 55 -3.751 3.321 -0.401 1.00 31.14 C ATOM 0 H PHE A 55 -1.766 -0.048 3.271 1.00 30.11 H new ATOM 0 HA PHE A 55 0.254 1.332 1.944 1.00 5.43 H new ATOM 0 HB2 PHE A 55 -1.996 2.042 3.845 1.00 34.01 H new ATOM 0 HB3 PHE A 55 -0.854 3.292 3.392 1.00 34.01 H new ATOM 0 HD1 PHE A 55 -3.401 0.920 1.997 1.00 21.02 H new ATOM 0 HD2 PHE A 55 -1.058 4.474 1.343 1.00 23.00 H new ATOM 0 HE1 PHE A 55 -4.819 1.504 0.047 1.00 73.33 H new ATOM 0 HE2 PHE A 55 -2.485 5.058 -0.603 1.00 31.01 H new ATOM 0 HZ PHE A 55 -4.376 3.576 -1.244 1.00 31.14 H new ATOM 928 N GLN A 56 0.710 1.226 5.261 1.00 30.32 N ATOM 929 CA GLN A 56 1.758 1.495 6.255 1.00 24.24 C ATOM 930 C GLN A 56 3.037 0.721 5.914 1.00 74.41 C ATOM 931 O GLN A 56 4.138 1.260 6.013 1.00 13.14 O ATOM 932 CB GLN A 56 1.303 1.209 7.697 1.00 1.50 C ATOM 933 CG GLN A 56 0.917 -0.237 7.949 1.00 54.15 C ATOM 934 CD GLN A 56 0.705 -0.590 9.402 1.00 2.10 C ATOM 935 OE1 GLN A 56 1.423 -1.414 9.950 1.00 54.45 O ATOM 936 NE2 GLN A 56 -0.293 -0.026 10.047 1.00 21.33 N ATOM 0 H GLN A 56 -0.121 0.758 5.622 1.00 30.32 H new ATOM 0 HA GLN A 56 1.972 2.563 6.208 1.00 24.24 H new ATOM 0 HB2 GLN A 56 2.106 1.484 8.381 1.00 1.50 H new ATOM 0 HB3 GLN A 56 0.451 1.847 7.931 1.00 1.50 H new ATOM 0 HG2 GLN A 56 0.002 -0.456 7.399 1.00 54.15 H new ATOM 0 HG3 GLN A 56 1.695 -0.883 7.542 1.00 54.15 H new ATOM 0 HE21 GLN A 56 -0.883 0.660 9.575 1.00 21.33 H new ATOM 0 HE22 GLN A 56 -0.477 -0.274 11.019 1.00 21.33 H new ATOM 945 N ASN A 57 2.887 -0.537 5.483 1.00 44.43 N ATOM 946 CA ASN A 57 3.996 -1.446 5.247 1.00 23.42 C ATOM 947 C ASN A 57 4.868 -0.911 4.120 1.00 5.20 C ATOM 948 O ASN A 57 6.082 -1.138 4.129 1.00 61.02 O ATOM 949 CB ASN A 57 3.458 -2.855 4.908 1.00 53.42 C ATOM 950 CG ASN A 57 3.370 -3.778 6.117 1.00 42.43 C ATOM 951 OD1 ASN A 57 4.028 -4.818 6.154 1.00 4.12 O ATOM 952 ND2 ASN A 57 2.550 -3.466 7.108 1.00 62.21 N ATOM 0 H ASN A 57 1.975 -0.950 5.288 1.00 44.43 H new ATOM 0 HA ASN A 57 4.604 -1.520 6.148 1.00 23.42 H new ATOM 0 HB2 ASN A 57 2.469 -2.760 4.461 1.00 53.42 H new ATOM 0 HB3 ASN A 57 4.104 -3.312 4.158 1.00 53.42 H new ATOM 0 HD21 ASN A 57 2.460 -4.089 7.910 1.00 62.21 H new ATOM 0 HD22 ASN A 57 2.009 -2.602 7.069 1.00 62.21 H new ATOM 959 N GLU A 58 4.268 -0.190 3.172 1.00 61.43 N ATOM 960 CA GLU A 58 4.984 0.413 2.064 1.00 43.13 C ATOM 961 C GLU A 58 5.494 1.815 2.391 1.00 12.30 C ATOM 962 O GLU A 58 6.592 2.178 1.968 1.00 25.04 O ATOM 963 CB GLU A 58 4.168 0.359 0.784 1.00 64.11 C ATOM 964 CG GLU A 58 2.841 1.065 0.813 1.00 32.14 C ATOM 965 CD GLU A 58 2.243 1.214 -0.586 1.00 72.14 C ATOM 966 OE1 GLU A 58 2.908 0.841 -1.591 1.00 10.52 O ATOM 967 OE2 GLU A 58 1.088 1.678 -0.631 1.00 13.52 O ATOM 0 H GLU A 58 3.264 -0.011 3.158 1.00 61.43 H new ATOM 0 HA GLU A 58 5.878 -0.186 1.890 1.00 43.13 H new ATOM 0 HB2 GLU A 58 4.766 0.786 -0.022 1.00 64.11 H new ATOM 0 HB3 GLU A 58 3.994 -0.687 0.532 1.00 64.11 H new ATOM 0 HG2 GLU A 58 2.149 0.510 1.446 1.00 32.14 H new ATOM 0 HG3 GLU A 58 2.964 2.051 1.262 1.00 32.14 H new ATOM 974 N ARG A 59 4.785 2.594 3.214 1.00 12.31 N ATOM 975 CA ARG A 59 5.272 3.908 3.652 1.00 44.13 C ATOM 976 C ARG A 59 6.470 3.811 4.590 1.00 44.23 C ATOM 977 O ARG A 59 7.052 4.828 4.964 1.00 42.43 O ATOM 978 CB ARG A 59 4.137 4.688 4.319 1.00 34.34 C ATOM 979 CG ARG A 59 4.251 6.190 4.022 1.00 65.21 C ATOM 980 CD ARG A 59 2.994 6.941 4.458 1.00 25.01 C ATOM 981 NE ARG A 59 3.090 8.365 4.114 1.00 1.23 N ATOM 982 CZ ARG A 59 3.565 9.364 4.862 1.00 14.33 C ATOM 983 NH1 ARG A 59 3.862 9.176 6.142 1.00 70.01 N ATOM 984 NH2 ARG A 59 3.761 10.550 4.302 1.00 73.24 N ATOM 0 H ARG A 59 3.872 2.338 3.591 1.00 12.31 H new ATOM 0 HA ARG A 59 5.612 4.438 2.762 1.00 44.13 H new ATOM 0 HB2 ARG A 59 3.177 4.315 3.963 1.00 34.34 H new ATOM 0 HB3 ARG A 59 4.163 4.524 5.396 1.00 34.34 H new ATOM 0 HG2 ARG A 59 5.119 6.600 4.538 1.00 65.21 H new ATOM 0 HG3 ARG A 59 4.415 6.340 2.955 1.00 65.21 H new ATOM 0 HD2 ARG A 59 2.119 6.504 3.976 1.00 25.01 H new ATOM 0 HD3 ARG A 59 2.854 6.831 5.533 1.00 25.01 H new ATOM 0 HE ARG A 59 2.751 8.624 3.187 1.00 1.23 H new ATOM 0 HH11 ARG A 59 3.728 8.259 6.567 1.00 70.01 H new ATOM 0 HH12 ARG A 59 4.224 9.949 6.700 1.00 70.01 H new ATOM 0 HH21 ARG A 59 3.549 10.689 3.314 1.00 73.24 H new ATOM 0 HH22 ARG A 59 4.123 11.324 4.859 1.00 73.24 H new ATOM 998 N ALA A 60 6.843 2.598 4.966 1.00 14.12 N ATOM 999 CA ALA A 60 8.175 2.289 5.454 1.00 54.42 C ATOM 1000 C ALA A 60 9.085 1.744 4.349 1.00 54.23 C ATOM 1001 O ALA A 60 10.116 2.349 4.063 1.00 13.53 O ATOM 1002 CB ALA A 60 8.073 1.348 6.640 1.00 25.31 C ATOM 0 H ALA A 60 6.220 1.791 4.940 1.00 14.12 H new ATOM 0 HA ALA A 60 8.648 3.213 5.788 1.00 54.42 H new ATOM 0 HB1 ALA A 60 9.073 1.115 7.007 1.00 25.31 H new ATOM 0 HB2 ALA A 60 7.497 1.824 7.433 1.00 25.31 H new ATOM 0 HB3 ALA A 60 7.576 0.428 6.333 1.00 25.31 H new ATOM 1008 N LYS A 61 8.745 0.621 3.704 1.00 22.31 N ATOM 1009 CA LYS A 61 9.644 -0.104 2.821 1.00 42.53 C ATOM 1010 C LYS A 61 10.070 0.739 1.628 1.00 5.42 C ATOM 1011 O LYS A 61 11.225 0.648 1.231 1.00 61.02 O ATOM 1012 CB LYS A 61 8.940 -1.420 2.446 1.00 22.04 C ATOM 1013 CG LYS A 61 9.373 -2.009 1.111 1.00 11.24 C ATOM 1014 CD LYS A 61 8.684 -3.355 0.842 1.00 4.22 C ATOM 1015 CE LYS A 61 8.428 -3.577 -0.653 1.00 73.34 C ATOM 1016 NZ LYS A 61 9.627 -3.992 -1.415 1.00 55.42 N ATOM 0 H LYS A 61 7.824 0.191 3.787 1.00 22.31 H new ATOM 0 HA LYS A 61 10.585 -0.338 3.318 1.00 42.53 H new ATOM 0 HB2 LYS A 61 9.127 -2.154 3.230 1.00 22.04 H new ATOM 0 HB3 LYS A 61 7.864 -1.247 2.421 1.00 22.04 H new ATOM 0 HG2 LYS A 61 9.135 -1.310 0.309 1.00 11.24 H new ATOM 0 HG3 LYS A 61 10.455 -2.145 1.105 1.00 11.24 H new ATOM 0 HD2 LYS A 61 9.304 -4.164 1.228 1.00 4.22 H new ATOM 0 HD3 LYS A 61 7.738 -3.393 1.382 1.00 4.22 H new ATOM 0 HE2 LYS A 61 7.655 -4.337 -0.770 1.00 73.34 H new ATOM 0 HE3 LYS A 61 8.037 -2.656 -1.085 1.00 73.34 H new ATOM 0 HZ1 LYS A 61 9.375 -4.122 -2.415 1.00 55.42 H new ATOM 0 HZ2 LYS A 61 10.360 -3.259 -1.335 1.00 55.42 H new ATOM 0 HZ3 LYS A 61 9.990 -4.887 -1.030 1.00 55.42 H new ATOM 1030 N TRP A 62 9.170 1.542 1.062 1.00 24.11 N ATOM 1031 CA TRP A 62 9.514 2.481 0.009 1.00 73.05 C ATOM 1032 C TRP A 62 10.412 3.562 0.599 1.00 4.14 C ATOM 1033 O TRP A 62 11.501 3.825 0.096 1.00 72.02 O ATOM 1034 CB TRP A 62 8.234 3.086 -0.599 1.00 2.34 C ATOM 1035 CG TRP A 62 8.367 3.478 -2.039 1.00 42.14 C ATOM 1036 CD1 TRP A 62 7.813 2.824 -3.083 1.00 24.14 C ATOM 1037 CD2 TRP A 62 9.176 4.538 -2.632 1.00 52.42 C ATOM 1038 NE1 TRP A 62 8.213 3.411 -4.263 1.00 43.55 N ATOM 1039 CE2 TRP A 62 9.083 4.457 -4.051 1.00 52.34 C ATOM 1040 CE3 TRP A 62 10.000 5.549 -2.109 1.00 1.10 C ATOM 1041 CZ2 TRP A 62 9.767 5.338 -4.903 1.00 75.24 C ATOM 1042 CZ3 TRP A 62 10.762 6.383 -2.947 1.00 14.11 C ATOM 1043 CH2 TRP A 62 10.632 6.294 -4.345 1.00 2.32 C ATOM 0 H TRP A 62 8.184 1.556 1.324 1.00 24.11 H new ATOM 0 HA TRP A 62 10.049 1.972 -0.793 1.00 73.05 H new ATOM 0 HB2 TRP A 62 7.423 2.364 -0.504 1.00 2.34 H new ATOM 0 HB3 TRP A 62 7.949 3.964 -0.019 1.00 2.34 H new ATOM 0 HD1 TRP A 62 7.156 1.970 -3.004 1.00 24.14 H new ATOM 0 HE1 TRP A 62 7.901 3.107 -5.185 1.00 43.55 H new ATOM 0 HE3 TRP A 62 10.049 5.689 -1.039 1.00 1.10 H new ATOM 0 HZ2 TRP A 62 9.630 5.282 -5.973 1.00 75.24 H new ATOM 0 HZ3 TRP A 62 11.450 7.095 -2.515 1.00 14.11 H new ATOM 0 HH2 TRP A 62 11.194 6.957 -4.986 1.00 2.32 H new ATOM 1054 N LYS A 63 9.947 4.208 1.673 1.00 3.23 N ATOM 1055 CA LYS A 63 10.605 5.356 2.284 1.00 62.24 C ATOM 1056 C LYS A 63 12.063 5.069 2.610 1.00 54.23 C ATOM 1057 O LYS A 63 12.896 5.945 2.369 1.00 25.40 O ATOM 1058 CB LYS A 63 9.806 5.815 3.519 1.00 4.54 C ATOM 1059 CG LYS A 63 8.673 6.781 3.095 1.00 41.54 C ATOM 1060 CD LYS A 63 8.519 7.994 4.028 1.00 51.25 C ATOM 1061 CE LYS A 63 9.672 8.986 3.796 1.00 70.01 C ATOM 1062 NZ LYS A 63 9.454 10.290 4.454 1.00 51.22 N ATOM 0 H LYS A 63 9.085 3.938 2.148 1.00 3.23 H new ATOM 0 HA LYS A 63 10.619 6.174 1.564 1.00 62.24 H new ATOM 0 HB2 LYS A 63 9.384 4.950 4.030 1.00 4.54 H new ATOM 0 HB3 LYS A 63 10.470 6.311 4.227 1.00 4.54 H new ATOM 0 HG2 LYS A 63 8.868 7.134 2.082 1.00 41.54 H new ATOM 0 HG3 LYS A 63 7.731 6.233 3.066 1.00 41.54 H new ATOM 0 HD2 LYS A 63 7.563 8.485 3.845 1.00 51.25 H new ATOM 0 HD3 LYS A 63 8.514 7.666 5.067 1.00 51.25 H new ATOM 0 HE2 LYS A 63 10.599 8.549 4.166 1.00 70.01 H new ATOM 0 HE3 LYS A 63 9.799 9.143 2.725 1.00 70.01 H new ATOM 0 HZ1 LYS A 63 10.263 10.915 4.262 1.00 51.22 H new ATOM 0 HZ2 LYS A 63 8.585 10.725 4.084 1.00 51.22 H new ATOM 0 HZ3 LYS A 63 9.361 10.150 5.480 1.00 51.22 H new ATOM 1076 N ARG A 64 12.395 3.878 3.106 1.00 25.30 N ATOM 1077 CA ARG A 64 13.773 3.556 3.461 1.00 31.23 C ATOM 1078 C ARG A 64 14.746 3.658 2.286 1.00 31.42 C ATOM 1079 O ARG A 64 15.910 3.990 2.482 1.00 3.54 O ATOM 1080 CB ARG A 64 13.821 2.272 4.290 1.00 1.31 C ATOM 1081 CG ARG A 64 14.087 1.039 3.456 1.00 24.30 C ATOM 1082 CD ARG A 64 13.860 -0.200 4.336 1.00 54.45 C ATOM 1083 NE ARG A 64 14.159 -1.468 3.642 1.00 13.12 N ATOM 1084 CZ ARG A 64 14.894 -2.482 4.127 1.00 41.54 C ATOM 1085 NH1 ARG A 64 15.607 -2.349 5.237 1.00 5.54 N ATOM 1086 NH2 ARG A 64 14.898 -3.643 3.488 1.00 51.15 N ATOM 0 H ARG A 64 11.729 3.123 3.270 1.00 25.30 H new ATOM 0 HA ARG A 64 14.162 4.332 4.121 1.00 31.23 H new ATOM 0 HB2 ARG A 64 14.598 2.365 5.049 1.00 1.31 H new ATOM 0 HB3 ARG A 64 12.874 2.150 4.816 1.00 1.31 H new ATOM 0 HG2 ARG A 64 13.424 1.016 2.591 1.00 24.30 H new ATOM 0 HG3 ARG A 64 15.108 1.052 3.075 1.00 24.30 H new ATOM 0 HD2 ARG A 64 14.484 -0.125 5.226 1.00 54.45 H new ATOM 0 HD3 ARG A 64 12.824 -0.213 4.673 1.00 54.45 H new ATOM 0 HE ARG A 64 13.771 -1.585 2.706 1.00 13.12 H new ATOM 0 HH11 ARG A 64 15.605 -1.462 5.741 1.00 5.54 H new ATOM 0 HH12 ARG A 64 16.158 -3.133 5.586 1.00 5.54 H new ATOM 0 HH21 ARG A 64 14.347 -3.759 2.638 1.00 51.15 H new ATOM 0 HH22 ARG A 64 15.452 -4.421 3.847 1.00 51.15 H new ATOM 1100 N ILE A 65 14.262 3.439 1.071 1.00 74.21 N ATOM 1101 CA ILE A 65 15.062 3.419 -0.152 1.00 61.23 C ATOM 1102 C ILE A 65 15.500 4.834 -0.550 1.00 32.43 C ATOM 1103 O ILE A 65 16.558 4.985 -1.167 1.00 4.54 O ATOM 1104 CB ILE A 65 14.299 2.723 -1.309 1.00 32.41 C ATOM 1105 CG1 ILE A 65 13.767 1.338 -0.881 1.00 51.22 C ATOM 1106 CG2 ILE A 65 15.239 2.581 -2.521 1.00 50.22 C ATOM 1107 CD1 ILE A 65 12.772 0.725 -1.873 1.00 53.41 C ATOM 0 H ILE A 65 13.271 3.265 0.901 1.00 74.21 H new ATOM 0 HA ILE A 65 15.962 2.837 0.049 1.00 61.23 H new ATOM 0 HB ILE A 65 13.439 3.336 -1.577 1.00 32.41 H new ATOM 0 HG12 ILE A 65 14.610 0.657 -0.758 1.00 51.22 H new ATOM 0 HG13 ILE A 65 13.286 1.429 0.093 1.00 51.22 H new ATOM 0 HG21 ILE A 65 14.708 2.092 -3.338 1.00 50.22 H new ATOM 0 HG22 ILE A 65 15.570 3.569 -2.843 1.00 50.22 H new ATOM 0 HG23 ILE A 65 16.105 1.982 -2.241 1.00 50.22 H new ATOM 0 HD11 ILE A 65 12.443 -0.247 -1.505 1.00 53.41 H new ATOM 0 HD12 ILE A 65 11.910 1.384 -1.978 1.00 53.41 H new ATOM 0 HD13 ILE A 65 13.254 0.601 -2.842 1.00 53.41 H new ATOM 1119 N LYS A 66 14.732 5.877 -0.193 1.00 32.13 N ATOM 1120 CA LYS A 66 15.018 7.263 -0.559 1.00 65.21 C ATOM 1121 C LYS A 66 16.435 7.703 -0.148 1.00 64.31 C ATOM 1122 O LYS A 66 16.986 8.601 -0.779 1.00 62.15 O ATOM 1123 CB LYS A 66 13.901 8.173 -0.007 1.00 30.11 C ATOM 1124 CG LYS A 66 14.188 9.625 -0.343 1.00 44.32 C ATOM 1125 CD LYS A 66 13.078 10.560 0.127 1.00 61.03 C ATOM 1126 CE LYS A 66 12.924 11.688 -0.890 1.00 34.43 C ATOM 1127 NZ LYS A 66 12.605 12.984 -0.252 1.00 21.43 N ATOM 0 H LYS A 66 13.885 5.773 0.366 1.00 32.13 H new ATOM 0 HA LYS A 66 15.017 7.353 -1.645 1.00 65.21 H new ATOM 0 HB2 LYS A 66 12.941 7.878 -0.430 1.00 30.11 H new ATOM 0 HB3 LYS A 66 13.824 8.051 1.073 1.00 30.11 H new ATOM 0 HG2 LYS A 66 15.130 9.923 0.118 1.00 44.32 H new ATOM 0 HG3 LYS A 66 14.314 9.728 -1.421 1.00 44.32 H new ATOM 0 HD2 LYS A 66 12.141 10.013 0.229 1.00 61.03 H new ATOM 0 HD3 LYS A 66 13.318 10.967 1.109 1.00 61.03 H new ATOM 0 HE2 LYS A 66 13.846 11.785 -1.463 1.00 34.43 H new ATOM 0 HE3 LYS A 66 12.135 11.431 -1.597 1.00 34.43 H new ATOM 0 HZ1 LYS A 66 12.510 13.717 -0.984 1.00 21.43 H new ATOM 0 HZ2 LYS A 66 11.711 12.902 0.273 1.00 21.43 H new ATOM 0 HZ3 LYS A 66 13.369 13.246 0.404 1.00 21.43 H new ATOM 1141 N ALA A 67 17.042 7.018 0.822 1.00 72.33 N ATOM 1142 CA ALA A 67 18.372 7.233 1.363 1.00 14.22 C ATOM 1143 C ALA A 67 18.364 8.485 2.238 1.00 64.32 C ATOM 1144 O ALA A 67 18.736 9.572 1.796 1.00 31.44 O ATOM 1145 CB ALA A 67 19.475 7.263 0.296 1.00 50.32 C ATOM 0 H ALA A 67 16.573 6.238 1.282 1.00 72.33 H new ATOM 0 HA ALA A 67 18.625 6.371 1.980 1.00 14.22 H new ATOM 0 HB1 ALA A 67 20.440 7.428 0.775 1.00 50.32 H new ATOM 0 HB2 ALA A 67 19.492 6.312 -0.237 1.00 50.32 H new ATOM 0 HB3 ALA A 67 19.277 8.071 -0.409 1.00 50.32 H new ATOM 1151 N GLY A 68 17.955 8.333 3.495 1.00 2.23 N ATOM 1152 CA GLY A 68 17.975 9.403 4.488 1.00 2.10 C ATOM 1153 C GLY A 68 19.362 9.577 5.103 1.00 4.51 C ATOM 1154 O GLY A 68 19.475 9.766 6.315 1.00 72.42 O ATOM 0 H GLY A 68 17.595 7.450 3.857 1.00 2.23 H new ATOM 0 HA2 GLY A 68 17.664 10.338 4.022 1.00 2.10 H new ATOM 0 HA3 GLY A 68 17.253 9.183 5.275 1.00 2.10 H new ATOM 1158 N ASN A 69 20.412 9.407 4.299 1.00 63.21 N ATOM 1159 CA ASN A 69 21.810 9.273 4.693 1.00 74.05 C ATOM 1160 C ASN A 69 22.662 9.608 3.462 1.00 41.51 C ATOM 1161 O ASN A 69 23.552 8.856 3.072 1.00 45.45 O ATOM 1162 CB ASN A 69 22.025 7.836 5.193 1.00 5.24 C ATOM 1163 CG ASN A 69 23.441 7.453 5.616 1.00 41.42 C ATOM 1164 OD1 ASN A 69 23.785 6.277 5.548 1.00 63.32 O ATOM 1165 ND2 ASN A 69 24.279 8.354 6.086 1.00 63.13 N ATOM 0 H ASN A 69 20.298 9.356 3.287 1.00 63.21 H new ATOM 0 HA ASN A 69 22.094 9.948 5.500 1.00 74.05 H new ATOM 0 HB2 ASN A 69 21.362 7.670 6.042 1.00 5.24 H new ATOM 0 HB3 ASN A 69 21.711 7.152 4.404 1.00 5.24 H new ATOM 0 HD21 ASN A 69 25.211 8.073 6.392 1.00 63.13 H new ATOM 0 HD22 ASN A 69 23.996 9.332 6.144 1.00 63.13 H new ATOM 1172 N VAL A 70 22.332 10.717 2.795 1.00 25.43 N ATOM 1173 CA VAL A 70 23.210 11.365 1.813 1.00 63.02 C ATOM 1174 C VAL A 70 24.283 12.205 2.542 1.00 13.43 C ATOM 1175 O VAL A 70 25.114 12.864 1.916 1.00 13.31 O ATOM 1176 CB VAL A 70 22.341 12.123 0.772 1.00 24.41 C ATOM 1177 CG1 VAL A 70 21.384 13.155 1.386 1.00 34.00 C ATOM 1178 CG2 VAL A 70 23.139 12.807 -0.349 1.00 12.14 C ATOM 0 H VAL A 70 21.440 11.196 2.921 1.00 25.43 H new ATOM 0 HA VAL A 70 23.780 10.639 1.234 1.00 63.02 H new ATOM 0 HB VAL A 70 21.756 11.314 0.334 1.00 24.41 H new ATOM 0 HG11 VAL A 70 20.814 13.640 0.593 1.00 34.00 H new ATOM 0 HG12 VAL A 70 20.700 12.654 2.071 1.00 34.00 H new ATOM 0 HG13 VAL A 70 21.958 13.905 1.931 1.00 34.00 H new ATOM 0 HG21 VAL A 70 22.452 13.311 -1.029 1.00 12.14 H new ATOM 0 HG22 VAL A 70 23.822 13.537 0.084 1.00 12.14 H new ATOM 0 HG23 VAL A 70 23.709 12.058 -0.899 1.00 12.14 H new ATOM 1188 N SER A 71 24.272 12.195 3.875 1.00 72.23 N ATOM 1189 CA SER A 71 25.156 12.920 4.772 1.00 42.34 C ATOM 1190 C SER A 71 25.406 12.041 5.986 1.00 71.32 C ATOM 1191 O SER A 71 26.250 12.376 6.841 1.00 74.25 O ATOM 1192 CB SER A 71 24.505 14.260 5.147 1.00 5.14 C ATOM 1193 OG SER A 71 23.096 14.152 5.329 1.00 24.24 O ATOM 0 H SER A 71 23.591 11.636 4.389 1.00 72.23 H new ATOM 0 HA SER A 71 26.113 13.146 4.302 1.00 42.34 H new ATOM 0 HB2 SER A 71 24.958 14.636 6.064 1.00 5.14 H new ATOM 0 HB3 SER A 71 24.712 14.992 4.366 1.00 5.14 H new ATOM 0 HG SER A 71 22.729 15.029 5.568 1.00 24.24 H new TER 1199 SER A 71