USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=13 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 121:sc= 0.988 USER MOD Set 1.2: A 18 GLN : amide:sc= 0.977 K(o=2,f=-5.9!) 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 23:sc= 0.283 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 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= -1.33 K(o=-1.3,f=-3.2!) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.133 USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.777) 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= -0.607 K(o=-0.61,f=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.0438 X(o=-0.044,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 USER MOD Single : A 50 GLN : amide:sc= -0.0681 K(o=-0.068,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.204 K(o=-0.2,f=-0.96) USER MOD Single : A 57 ASN : amide:sc= 0.619 K(o=0.62,f=-1.7!) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= 0.0797 (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= -1.05 K(o=-1.1,f=-0.052) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.017 0.194 18.912 1.00 72.03 N ATOM 2 CA GLY A 1 8.647 -1.209 19.143 1.00 21.02 C ATOM 3 C GLY A 1 9.080 -2.080 17.978 1.00 3.21 C ATOM 4 O GLY A 1 10.276 -2.149 17.686 1.00 51.42 O ATOM 0 H1 GLY A 1 8.711 0.771 19.721 1.00 72.03 H new ATOM 0 H2 GLY A 1 10.049 0.268 18.804 1.00 72.03 H new ATOM 0 H3 GLY A 1 8.553 0.537 18.047 1.00 72.03 H new ATOM 0 HA2 GLY A 1 9.112 -1.566 20.062 1.00 21.02 H new ATOM 0 HA3 GLY A 1 7.569 -1.287 19.280 1.00 21.02 H new ATOM 8 N ALA A 2 8.136 -2.793 17.355 1.00 41.32 N ATOM 9 CA ALA A 2 8.262 -3.446 16.049 1.00 73.30 C ATOM 10 C ALA A 2 9.602 -4.196 15.850 1.00 75.43 C ATOM 11 O ALA A 2 10.338 -3.879 14.908 1.00 35.03 O ATOM 12 CB ALA A 2 7.953 -2.415 14.952 1.00 24.15 C ATOM 0 H ALA A 2 7.216 -2.937 17.770 1.00 41.32 H new ATOM 0 HA ALA A 2 7.527 -4.249 15.987 1.00 73.30 H new ATOM 0 HB1 ALA A 2 8.043 -2.887 13.974 1.00 24.15 H new ATOM 0 HB2 ALA A 2 6.938 -2.039 15.082 1.00 24.15 H new ATOM 0 HB3 ALA A 2 8.659 -1.587 15.022 1.00 24.15 H new ATOM 18 N PRO A 3 9.950 -5.174 16.714 1.00 55.22 N ATOM 19 CA PRO A 3 11.304 -5.723 16.817 1.00 24.24 C ATOM 20 C PRO A 3 11.801 -6.331 15.507 1.00 61.02 C ATOM 21 O PRO A 3 12.823 -5.911 14.965 1.00 40.33 O ATOM 22 CB PRO A 3 11.244 -6.777 17.934 1.00 42.23 C ATOM 23 CG PRO A 3 9.755 -7.093 18.083 1.00 33.34 C ATOM 24 CD PRO A 3 9.085 -5.776 17.716 1.00 55.50 C ATOM 0 HA PRO A 3 12.017 -4.930 17.042 1.00 24.24 H new ATOM 0 HB2 PRO A 3 11.814 -7.668 17.670 1.00 42.23 H new ATOM 0 HB3 PRO A 3 11.663 -6.394 18.864 1.00 42.23 H new ATOM 0 HG2 PRO A 3 9.446 -7.901 17.420 1.00 33.34 H new ATOM 0 HG3 PRO A 3 9.508 -7.402 19.099 1.00 33.34 H new ATOM 0 HD2 PRO A 3 8.082 -5.941 17.322 1.00 55.50 H new ATOM 0 HD3 PRO A 3 8.983 -5.130 18.588 1.00 55.50 H new ATOM 32 N GLY A 4 11.043 -7.273 14.962 1.00 61.24 N ATOM 33 CA GLY A 4 11.324 -7.984 13.732 1.00 33.41 C ATOM 34 C GLY A 4 10.099 -8.838 13.439 1.00 22.32 C ATOM 35 O GLY A 4 9.336 -9.149 14.361 1.00 72.02 O ATOM 0 H GLY A 4 10.169 -7.574 15.393 1.00 61.24 H new ATOM 0 HA2 GLY A 4 11.516 -7.287 12.916 1.00 33.41 H new ATOM 0 HA3 GLY A 4 12.214 -8.605 13.837 1.00 33.41 H new ATOM 39 N GLY A 5 9.874 -9.206 12.181 1.00 15.54 N ATOM 40 CA GLY A 5 8.709 -9.985 11.814 1.00 71.04 C ATOM 41 C GLY A 5 8.167 -9.607 10.452 1.00 20.44 C ATOM 42 O GLY A 5 8.683 -10.053 9.426 1.00 32.15 O ATOM 0 H GLY A 5 10.489 -8.974 11.401 1.00 15.54 H new ATOM 0 HA2 GLY A 5 8.968 -11.044 11.818 1.00 71.04 H new ATOM 0 HA3 GLY A 5 7.930 -9.844 12.564 1.00 71.04 H new ATOM 46 N LYS A 6 7.076 -8.840 10.454 1.00 33.24 N ATOM 47 CA LYS A 6 6.205 -8.682 9.303 1.00 15.51 C ATOM 48 C LYS A 6 6.232 -7.214 8.901 1.00 72.24 C ATOM 49 O LYS A 6 5.502 -6.405 9.482 1.00 55.31 O ATOM 50 CB LYS A 6 4.785 -9.213 9.604 1.00 64.13 C ATOM 51 CG LYS A 6 4.710 -10.722 9.929 1.00 4.15 C ATOM 52 CD LYS A 6 4.917 -11.046 11.422 1.00 0.43 C ATOM 53 CE LYS A 6 4.731 -12.528 11.774 1.00 73.02 C ATOM 54 NZ LYS A 6 5.667 -13.428 11.064 1.00 35.32 N ATOM 0 H LYS A 6 6.774 -8.307 11.269 1.00 33.24 H new ATOM 0 HA LYS A 6 6.556 -9.278 8.461 1.00 15.51 H new ATOM 0 HB2 LYS A 6 4.375 -8.654 10.445 1.00 64.13 H new ATOM 0 HB3 LYS A 6 4.147 -9.009 8.744 1.00 64.13 H new ATOM 0 HG2 LYS A 6 3.739 -11.104 9.615 1.00 4.15 H new ATOM 0 HG3 LYS A 6 5.464 -11.248 9.344 1.00 4.15 H new ATOM 0 HD2 LYS A 6 5.921 -10.738 11.714 1.00 0.43 H new ATOM 0 HD3 LYS A 6 4.218 -10.453 12.012 1.00 0.43 H new ATOM 0 HE2 LYS A 6 4.861 -12.657 12.849 1.00 73.02 H new ATOM 0 HE3 LYS A 6 3.708 -12.823 11.539 1.00 73.02 H new ATOM 0 HZ1 LYS A 6 5.486 -14.412 11.349 1.00 35.32 H new ATOM 0 HZ2 LYS A 6 5.528 -13.333 10.038 1.00 35.32 H new ATOM 0 HZ3 LYS A 6 6.646 -13.172 11.306 1.00 35.32 H new ATOM 68 N SER A 7 7.084 -6.880 7.933 1.00 3.11 N ATOM 69 CA SER A 7 7.136 -5.578 7.285 1.00 13.53 C ATOM 70 C SER A 7 7.476 -5.740 5.807 1.00 12.15 C ATOM 71 O SER A 7 6.562 -5.791 4.982 1.00 24.01 O ATOM 72 CB SER A 7 8.114 -4.646 8.009 1.00 34.25 C ATOM 73 OG SER A 7 7.480 -4.123 9.151 1.00 0.11 O ATOM 0 H SER A 7 7.778 -7.532 7.569 1.00 3.11 H new ATOM 0 HA SER A 7 6.153 -5.110 7.346 1.00 13.53 H new ATOM 0 HB2 SER A 7 9.014 -5.191 8.293 1.00 34.25 H new ATOM 0 HB3 SER A 7 8.426 -3.838 7.347 1.00 34.25 H new ATOM 0 HG SER A 7 6.749 -4.718 9.421 1.00 0.11 H new ATOM 79 N ARG A 8 8.764 -5.825 5.458 1.00 35.34 N ATOM 80 CA ARG A 8 9.198 -5.913 4.066 1.00 31.34 C ATOM 81 C ARG A 8 8.663 -7.216 3.466 1.00 14.14 C ATOM 82 O ARG A 8 8.611 -8.221 4.175 1.00 53.50 O ATOM 83 CB ARG A 8 10.740 -5.889 4.051 1.00 55.12 C ATOM 84 CG ARG A 8 11.377 -5.558 2.689 1.00 13.51 C ATOM 85 CD ARG A 8 12.559 -6.473 2.332 1.00 42.20 C ATOM 86 NE ARG A 8 13.579 -6.554 3.397 1.00 11.42 N ATOM 87 CZ ARG A 8 14.831 -6.076 3.367 1.00 74.33 C ATOM 88 NH1 ARG A 8 15.271 -5.357 2.338 1.00 62.03 N ATOM 89 NH2 ARG A 8 15.654 -6.348 4.370 1.00 23.11 N ATOM 0 H ARG A 8 9.530 -5.834 6.132 1.00 35.34 H new ATOM 0 HA ARG A 8 8.819 -5.080 3.474 1.00 31.34 H new ATOM 0 HB2 ARG A 8 11.083 -5.157 4.782 1.00 55.12 H new ATOM 0 HB3 ARG A 8 11.106 -6.862 4.378 1.00 55.12 H new ATOM 0 HG2 ARG A 8 10.617 -5.638 1.911 1.00 13.51 H new ATOM 0 HG3 ARG A 8 11.718 -4.523 2.697 1.00 13.51 H new ATOM 0 HD2 ARG A 8 12.183 -7.474 2.122 1.00 42.20 H new ATOM 0 HD3 ARG A 8 13.027 -6.110 1.417 1.00 42.20 H new ATOM 0 HE ARG A 8 13.298 -7.029 4.255 1.00 11.42 H new ATOM 0 HH11 ARG A 8 14.652 -5.160 1.552 1.00 62.03 H new ATOM 0 HH12 ARG A 8 16.227 -5.003 2.335 1.00 62.03 H new ATOM 0 HH21 ARG A 8 15.332 -6.916 5.154 1.00 23.11 H new ATOM 0 HH22 ARG A 8 16.609 -5.990 4.358 1.00 23.11 H new ATOM 103 N ARG A 9 8.387 -7.249 2.158 1.00 14.15 N ATOM 104 CA ARG A 9 8.101 -8.481 1.408 1.00 2.31 C ATOM 105 C ARG A 9 6.771 -9.126 1.849 1.00 73.02 C ATOM 106 O ARG A 9 6.127 -8.687 2.803 1.00 50.34 O ATOM 107 CB ARG A 9 9.329 -9.420 1.543 1.00 10.24 C ATOM 108 CG ARG A 9 9.616 -10.343 0.354 1.00 12.43 C ATOM 109 CD ARG A 9 10.962 -11.047 0.578 1.00 23.04 C ATOM 110 NE ARG A 9 11.378 -11.805 -0.611 1.00 22.43 N ATOM 111 CZ ARG A 9 11.458 -13.136 -0.742 1.00 33.12 C ATOM 112 NH1 ARG A 9 11.138 -13.956 0.255 1.00 72.42 N ATOM 113 NH2 ARG A 9 11.868 -13.658 -1.888 1.00 23.04 N ATOM 0 H ARG A 9 8.355 -6.409 1.580 1.00 14.15 H new ATOM 0 HA ARG A 9 7.953 -8.259 0.351 1.00 2.31 H new ATOM 0 HB2 ARG A 9 10.212 -8.805 1.719 1.00 10.24 H new ATOM 0 HB3 ARG A 9 9.190 -10.039 2.430 1.00 10.24 H new ATOM 0 HG2 ARG A 9 8.819 -11.079 0.249 1.00 12.43 H new ATOM 0 HG3 ARG A 9 9.642 -9.767 -0.571 1.00 12.43 H new ATOM 0 HD2 ARG A 9 11.724 -10.308 0.824 1.00 23.04 H new ATOM 0 HD3 ARG A 9 10.884 -11.721 1.431 1.00 23.04 H new ATOM 0 HE ARG A 9 11.635 -11.254 -1.430 1.00 22.43 H new ATOM 0 HH11 ARG A 9 10.822 -13.575 1.147 1.00 72.42 H new ATOM 0 HH12 ARG A 9 11.208 -14.966 0.128 1.00 72.42 H new ATOM 0 HH21 ARG A 9 12.121 -13.047 -2.665 1.00 23.04 H new ATOM 0 HH22 ARG A 9 11.931 -14.671 -1.994 1.00 23.04 H new ATOM 127 N ARG A 10 6.360 -10.191 1.150 1.00 25.33 N ATOM 128 CA ARG A 10 5.096 -10.904 1.340 1.00 34.35 C ATOM 129 C ARG A 10 3.885 -9.969 1.175 1.00 54.12 C ATOM 130 O ARG A 10 3.193 -9.617 2.132 1.00 22.34 O ATOM 131 CB ARG A 10 5.140 -11.734 2.645 1.00 71.23 C ATOM 132 CG ARG A 10 3.827 -12.491 2.884 1.00 32.35 C ATOM 133 CD ARG A 10 3.965 -13.817 3.645 1.00 31.33 C ATOM 134 NE ARG A 10 4.715 -14.851 2.907 1.00 50.33 N ATOM 135 CZ ARG A 10 4.335 -15.468 1.782 1.00 73.41 C ATOM 136 NH1 ARG A 10 3.216 -15.116 1.159 1.00 71.43 N ATOM 137 NH2 ARG A 10 5.065 -16.451 1.268 1.00 4.41 N ATOM 0 H ARG A 10 6.926 -10.595 0.404 1.00 25.33 H new ATOM 0 HA ARG A 10 4.958 -11.636 0.545 1.00 34.35 H new ATOM 0 HB2 ARG A 10 5.965 -12.444 2.596 1.00 71.23 H new ATOM 0 HB3 ARG A 10 5.338 -11.073 3.489 1.00 71.23 H new ATOM 0 HG2 ARG A 10 3.148 -11.842 3.437 1.00 32.35 H new ATOM 0 HG3 ARG A 10 3.361 -12.691 1.919 1.00 32.35 H new ATOM 0 HD2 ARG A 10 4.463 -13.629 4.596 1.00 31.33 H new ATOM 0 HD3 ARG A 10 2.970 -14.198 3.876 1.00 31.33 H new ATOM 0 HE ARG A 10 5.618 -15.124 3.295 1.00 50.33 H new ATOM 0 HH11 ARG A 10 2.635 -14.368 1.537 1.00 71.43 H new ATOM 0 HH12 ARG A 10 2.937 -15.594 0.302 1.00 71.43 H new ATOM 0 HH21 ARG A 10 5.925 -16.743 1.731 1.00 4.41 H new ATOM 0 HH22 ARG A 10 4.765 -16.914 0.410 1.00 4.41 H new ATOM 151 N ARG A 11 3.585 -9.617 -0.079 1.00 72.14 N ATOM 152 CA ARG A 11 2.320 -8.991 -0.480 1.00 41.21 C ATOM 153 C ARG A 11 1.157 -10.007 -0.447 1.00 34.11 C ATOM 154 O ARG A 11 1.237 -11.052 0.204 1.00 51.33 O ATOM 155 CB ARG A 11 2.495 -8.292 -1.850 1.00 54.52 C ATOM 156 CG ARG A 11 3.165 -6.916 -1.735 1.00 64.21 C ATOM 157 CD ARG A 11 2.966 -6.087 -3.014 1.00 54.32 C ATOM 158 NE ARG A 11 3.607 -6.710 -4.185 1.00 2.52 N ATOM 159 CZ ARG A 11 4.891 -6.593 -4.538 1.00 45.23 C ATOM 160 NH1 ARG A 11 5.656 -5.659 -3.981 1.00 44.14 N ATOM 161 NH2 ARG A 11 5.407 -7.422 -5.434 1.00 32.41 N ATOM 0 H ARG A 11 4.226 -9.762 -0.859 1.00 72.14 H new ATOM 0 HA ARG A 11 2.049 -8.219 0.240 1.00 41.21 H new ATOM 0 HB2 ARG A 11 3.092 -8.928 -2.504 1.00 54.52 H new ATOM 0 HB3 ARG A 11 1.519 -8.177 -2.321 1.00 54.52 H new ATOM 0 HG2 ARG A 11 2.750 -6.378 -0.883 1.00 64.21 H new ATOM 0 HG3 ARG A 11 4.231 -7.043 -1.544 1.00 64.21 H new ATOM 0 HD2 ARG A 11 1.900 -5.968 -3.206 1.00 54.32 H new ATOM 0 HD3 ARG A 11 3.377 -5.088 -2.865 1.00 54.32 H new ATOM 0 HE ARG A 11 3.015 -7.286 -4.784 1.00 2.52 H new ATOM 0 HH11 ARG A 11 5.264 -5.029 -3.282 1.00 44.14 H new ATOM 0 HH12 ARG A 11 6.635 -5.573 -4.253 1.00 44.14 H new ATOM 0 HH21 ARG A 11 4.825 -8.147 -5.853 1.00 32.41 H new ATOM 0 HH22 ARG A 11 6.386 -7.335 -5.705 1.00 32.41 H new ATOM 175 N THR A 12 0.048 -9.638 -1.085 1.00 52.23 N ATOM 176 CA THR A 12 -1.221 -10.341 -1.194 1.00 32.14 C ATOM 177 C THR A 12 -1.606 -10.388 -2.679 1.00 52.50 C ATOM 178 O THR A 12 -1.081 -9.586 -3.465 1.00 30.45 O ATOM 179 CB THR A 12 -2.240 -9.589 -0.332 1.00 2.45 C ATOM 180 OG1 THR A 12 -1.733 -9.343 0.973 1.00 34.11 O ATOM 181 CG2 THR A 12 -3.583 -10.298 -0.175 1.00 10.53 C ATOM 0 H THR A 12 0.017 -8.751 -1.587 1.00 52.23 H new ATOM 0 HA THR A 12 -1.173 -11.369 -0.835 1.00 32.14 H new ATOM 0 HB THR A 12 -2.409 -8.660 -0.876 1.00 2.45 H new ATOM 0 HG1 THR A 12 -2.404 -8.860 1.499 1.00 34.11 H new ATOM 0 HG21 THR A 12 -4.242 -9.695 0.450 1.00 10.53 H new ATOM 0 HG22 THR A 12 -4.039 -10.436 -1.156 1.00 10.53 H new ATOM 0 HG23 THR A 12 -3.429 -11.270 0.293 1.00 10.53 H new ATOM 189 N ALA A 13 -2.511 -11.292 -3.074 1.00 41.33 N ATOM 190 CA ALA A 13 -3.089 -11.305 -4.408 1.00 51.13 C ATOM 191 C ALA A 13 -4.001 -10.087 -4.535 1.00 50.44 C ATOM 192 O ALA A 13 -5.129 -10.104 -4.050 1.00 42.00 O ATOM 193 CB ALA A 13 -3.855 -12.611 -4.656 1.00 5.01 C ATOM 0 H ALA A 13 -2.859 -12.035 -2.468 1.00 41.33 H new ATOM 0 HA ALA A 13 -2.304 -11.255 -5.163 1.00 51.13 H new ATOM 0 HB1 ALA A 13 -4.279 -12.599 -5.660 1.00 5.01 H new ATOM 0 HB2 ALA A 13 -3.174 -13.456 -4.560 1.00 5.01 H new ATOM 0 HB3 ALA A 13 -4.657 -12.707 -3.924 1.00 5.01 H new ATOM 199 N PHE A 14 -3.481 -9.005 -5.103 1.00 54.43 N ATOM 200 CA PHE A 14 -4.210 -7.820 -5.531 1.00 1.24 C ATOM 201 C PHE A 14 -4.152 -7.869 -7.063 1.00 34.42 C ATOM 202 O PHE A 14 -3.120 -8.256 -7.627 1.00 24.14 O ATOM 203 CB PHE A 14 -3.548 -6.573 -4.888 1.00 24.43 C ATOM 204 CG PHE A 14 -3.979 -6.216 -3.469 1.00 64.13 C ATOM 205 CD1 PHE A 14 -4.176 -7.196 -2.483 1.00 22.32 C ATOM 206 CD2 PHE A 14 -4.182 -4.871 -3.117 1.00 65.04 C ATOM 207 CE1 PHE A 14 -4.522 -6.853 -1.171 1.00 34.32 C ATOM 208 CE2 PHE A 14 -4.549 -4.522 -1.804 1.00 31.22 C ATOM 209 CZ PHE A 14 -4.693 -5.510 -0.821 1.00 53.10 C ATOM 0 H PHE A 14 -2.481 -8.928 -5.287 1.00 54.43 H new ATOM 0 HA PHE A 14 -5.253 -7.774 -5.217 1.00 1.24 H new ATOM 0 HB2 PHE A 14 -2.469 -6.725 -4.886 1.00 24.43 H new ATOM 0 HB3 PHE A 14 -3.748 -5.714 -5.529 1.00 24.43 H new ATOM 0 HD1 PHE A 14 -4.058 -8.238 -2.743 1.00 22.32 H new ATOM 0 HD2 PHE A 14 -4.055 -4.098 -3.861 1.00 65.04 H new ATOM 0 HE1 PHE A 14 -4.657 -7.626 -0.429 1.00 34.32 H new ATOM 0 HE2 PHE A 14 -4.721 -3.486 -1.552 1.00 31.22 H new ATOM 0 HZ PHE A 14 -4.933 -5.237 0.196 1.00 53.10 H new ATOM 219 N THR A 15 -5.246 -7.533 -7.740 1.00 53.44 N ATOM 220 CA THR A 15 -5.295 -7.451 -9.195 1.00 25.53 C ATOM 221 C THR A 15 -4.870 -6.069 -9.618 1.00 12.25 C ATOM 222 O THR A 15 -4.992 -5.110 -8.865 1.00 42.12 O ATOM 223 CB THR A 15 -6.673 -7.733 -9.813 1.00 5.15 C ATOM 224 OG1 THR A 15 -7.703 -6.962 -9.259 1.00 24.11 O ATOM 225 CG2 THR A 15 -7.076 -9.196 -9.681 1.00 45.42 C ATOM 0 H THR A 15 -6.132 -7.308 -7.288 1.00 53.44 H new ATOM 0 HA THR A 15 -4.626 -8.231 -9.558 1.00 25.53 H new ATOM 0 HB THR A 15 -6.551 -7.464 -10.862 1.00 5.15 H new ATOM 0 HG1 THR A 15 -8.122 -6.423 -9.962 1.00 24.11 H new ATOM 0 HG21 THR A 15 -8.057 -9.345 -10.132 1.00 45.42 H new ATOM 0 HG22 THR A 15 -6.343 -9.823 -10.190 1.00 45.42 H new ATOM 0 HG23 THR A 15 -7.117 -9.468 -8.626 1.00 45.42 H new ATOM 233 N SER A 16 -4.423 -5.945 -10.857 1.00 51.42 N ATOM 234 CA SER A 16 -3.764 -4.749 -11.332 1.00 64.14 C ATOM 235 C SER A 16 -4.626 -3.483 -11.307 1.00 51.01 C ATOM 236 O SER A 16 -4.072 -2.388 -11.361 1.00 54.40 O ATOM 237 CB SER A 16 -3.213 -5.086 -12.700 1.00 42.41 C ATOM 238 OG SER A 16 -4.188 -5.091 -13.731 1.00 34.12 O ATOM 0 H SER A 16 -4.510 -6.677 -11.562 1.00 51.42 H new ATOM 0 HA SER A 16 -2.962 -4.475 -10.646 1.00 64.14 H new ATOM 0 HB2 SER A 16 -2.435 -4.366 -12.954 1.00 42.41 H new ATOM 0 HB3 SER A 16 -2.739 -6.067 -12.658 1.00 42.41 H new ATOM 0 HG SER A 16 -3.761 -5.314 -14.584 1.00 34.12 H new ATOM 244 N GLU A 17 -5.945 -3.645 -11.183 1.00 1.23 N ATOM 245 CA GLU A 17 -6.925 -2.605 -10.912 1.00 72.41 C ATOM 246 C GLU A 17 -6.714 -2.081 -9.492 1.00 33.34 C ATOM 247 O GLU A 17 -6.559 -0.888 -9.264 1.00 5.15 O ATOM 248 CB GLU A 17 -8.338 -3.211 -10.982 1.00 65.12 C ATOM 249 CG GLU A 17 -8.667 -4.060 -12.219 1.00 4.45 C ATOM 250 CD GLU A 17 -9.557 -5.215 -11.766 1.00 21.32 C ATOM 251 OE1 GLU A 17 -10.768 -4.982 -11.560 1.00 3.25 O ATOM 252 OE2 GLU A 17 -9.022 -6.304 -11.452 1.00 62.33 O ATOM 0 H GLU A 17 -6.378 -4.564 -11.276 1.00 1.23 H new ATOM 0 HA GLU A 17 -6.814 -1.803 -11.642 1.00 72.41 H new ATOM 0 HB2 GLU A 17 -8.487 -3.829 -10.097 1.00 65.12 H new ATOM 0 HB3 GLU A 17 -9.060 -2.396 -10.927 1.00 65.12 H new ATOM 0 HG2 GLU A 17 -9.176 -3.458 -12.972 1.00 4.45 H new ATOM 0 HG3 GLU A 17 -7.753 -4.438 -12.677 1.00 4.45 H new ATOM 259 N GLN A 18 -6.705 -2.998 -8.522 1.00 53.33 N ATOM 260 CA GLN A 18 -6.582 -2.713 -7.112 1.00 3.45 C ATOM 261 C GLN A 18 -5.207 -2.101 -6.862 1.00 3.15 C ATOM 262 O GLN A 18 -5.105 -1.212 -6.021 1.00 64.50 O ATOM 263 CB GLN A 18 -6.799 -4.001 -6.286 1.00 41.34 C ATOM 264 CG GLN A 18 -8.023 -4.826 -6.736 1.00 4.02 C ATOM 265 CD GLN A 18 -8.206 -6.100 -5.910 1.00 2.45 C ATOM 266 OE1 GLN A 18 -7.382 -7.004 -5.963 1.00 41.03 O ATOM 267 NE2 GLN A 18 -9.272 -6.256 -5.145 1.00 53.13 N ATOM 0 H GLN A 18 -6.787 -3.996 -8.717 1.00 53.33 H new ATOM 0 HA GLN A 18 -7.345 -2.001 -6.798 1.00 3.45 H new ATOM 0 HB2 GLN A 18 -5.907 -4.623 -6.357 1.00 41.34 H new ATOM 0 HB3 GLN A 18 -6.918 -3.733 -5.236 1.00 41.34 H new ATOM 0 HG2 GLN A 18 -8.920 -4.212 -6.655 1.00 4.02 H new ATOM 0 HG3 GLN A 18 -7.912 -5.091 -7.787 1.00 4.02 H new ATOM 0 HE21 GLN A 18 -9.971 -5.515 -5.087 1.00 53.13 H new ATOM 0 HE22 GLN A 18 -9.396 -7.117 -4.613 1.00 53.13 H new ATOM 276 N LEU A 19 -4.163 -2.510 -7.607 1.00 70.22 N ATOM 277 CA LEU A 19 -2.854 -1.891 -7.455 1.00 21.33 C ATOM 278 C LEU A 19 -2.846 -0.483 -8.066 1.00 72.32 C ATOM 279 O LEU A 19 -1.982 0.310 -7.715 1.00 43.31 O ATOM 280 CB LEU A 19 -1.735 -2.742 -8.074 1.00 44.22 C ATOM 281 CG LEU A 19 -1.398 -4.024 -7.277 1.00 21.31 C ATOM 282 CD1 LEU A 19 -2.293 -5.159 -7.665 1.00 74.30 C ATOM 283 CD2 LEU A 19 0.007 -4.564 -7.554 1.00 52.52 C ATOM 0 H LEU A 19 -4.208 -3.253 -8.305 1.00 70.22 H new ATOM 0 HA LEU A 19 -2.659 -1.818 -6.385 1.00 21.33 H new ATOM 0 HB2 LEU A 19 -2.025 -3.023 -9.086 1.00 44.22 H new ATOM 0 HB3 LEU A 19 -0.835 -2.133 -8.158 1.00 44.22 H new ATOM 0 HG LEU A 19 -1.509 -3.717 -6.237 1.00 21.31 H new ATOM 0 HD11 LEU A 19 -2.029 -6.044 -7.086 1.00 74.30 H new ATOM 0 HD12 LEU A 19 -3.330 -4.890 -7.464 1.00 74.30 H new ATOM 0 HD13 LEU A 19 -2.172 -5.371 -8.727 1.00 74.30 H new ATOM 0 HD21 LEU A 19 0.175 -5.463 -6.961 1.00 52.52 H new ATOM 0 HD22 LEU A 19 0.102 -4.804 -8.613 1.00 52.52 H new ATOM 0 HD23 LEU A 19 0.746 -3.810 -7.285 1.00 52.52 H new ATOM 295 N LEU A 20 -3.770 -0.154 -8.973 1.00 31.34 N ATOM 296 CA LEU A 20 -3.846 1.155 -9.615 1.00 74.51 C ATOM 297 C LEU A 20 -4.342 2.163 -8.587 1.00 0.34 C ATOM 298 O LEU A 20 -3.645 3.135 -8.297 1.00 40.22 O ATOM 299 CB LEU A 20 -4.776 1.088 -10.840 1.00 11.32 C ATOM 300 CG LEU A 20 -4.550 2.169 -11.910 1.00 54.20 C ATOM 301 CD1 LEU A 20 -5.555 1.894 -13.034 1.00 50.40 C ATOM 302 CD2 LEU A 20 -4.752 3.608 -11.419 1.00 71.34 C ATOM 0 H LEU A 20 -4.495 -0.801 -9.284 1.00 31.34 H new ATOM 0 HA LEU A 20 -2.864 1.466 -9.972 1.00 74.51 H new ATOM 0 HB2 LEU A 20 -4.660 0.110 -11.308 1.00 11.32 H new ATOM 0 HB3 LEU A 20 -5.807 1.156 -10.494 1.00 11.32 H new ATOM 0 HG LEU A 20 -3.508 2.107 -12.225 1.00 54.20 H new ATOM 0 HD11 LEU A 20 -5.433 2.638 -13.821 1.00 50.40 H new ATOM 0 HD12 LEU A 20 -5.379 0.900 -13.445 1.00 50.40 H new ATOM 0 HD13 LEU A 20 -6.569 1.948 -12.637 1.00 50.40 H new ATOM 0 HD21 LEU A 20 -4.572 4.301 -12.240 1.00 71.34 H new ATOM 0 HD22 LEU A 20 -5.774 3.730 -11.059 1.00 71.34 H new ATOM 0 HD23 LEU A 20 -4.054 3.817 -10.608 1.00 71.34 H new ATOM 314 N GLU A 21 -5.517 1.920 -8.001 1.00 73.32 N ATOM 315 CA GLU A 21 -6.147 2.873 -7.088 1.00 72.34 C ATOM 316 C GLU A 21 -5.333 3.018 -5.792 1.00 52.24 C ATOM 317 O GLU A 21 -5.414 4.036 -5.101 1.00 1.44 O ATOM 318 CB GLU A 21 -7.596 2.481 -6.758 1.00 34.54 C ATOM 319 CG GLU A 21 -8.416 1.839 -7.885 1.00 73.43 C ATOM 320 CD GLU A 21 -8.526 2.620 -9.197 1.00 61.23 C ATOM 321 OE1 GLU A 21 -8.237 3.841 -9.220 1.00 24.11 O ATOM 322 OE2 GLU A 21 -8.966 1.975 -10.181 1.00 0.31 O ATOM 0 H GLU A 21 -6.053 1.064 -8.145 1.00 73.32 H new ATOM 0 HA GLU A 21 -6.168 3.835 -7.601 1.00 72.34 H new ATOM 0 HB2 GLU A 21 -7.577 1.789 -5.916 1.00 34.54 H new ATOM 0 HB3 GLU A 21 -8.121 3.375 -6.423 1.00 34.54 H new ATOM 0 HG2 GLU A 21 -7.982 0.864 -8.107 1.00 73.43 H new ATOM 0 HG3 GLU A 21 -9.424 1.661 -7.511 1.00 73.43 H new ATOM 329 N LEU A 22 -4.526 2.012 -5.457 1.00 23.52 N ATOM 330 CA LEU A 22 -3.560 2.058 -4.366 1.00 74.14 C ATOM 331 C LEU A 22 -2.368 2.946 -4.692 1.00 0.34 C ATOM 332 O LEU A 22 -1.798 3.543 -3.774 1.00 61.10 O ATOM 333 CB LEU A 22 -3.059 0.637 -4.088 1.00 34.33 C ATOM 334 CG LEU A 22 -3.667 -0.053 -2.858 1.00 11.55 C ATOM 335 CD1 LEU A 22 -5.156 0.220 -2.631 1.00 72.43 C ATOM 336 CD2 LEU A 22 -3.486 -1.560 -3.007 1.00 20.22 C ATOM 0 H LEU A 22 -4.528 1.120 -5.952 1.00 23.52 H new ATOM 0 HA LEU A 22 -4.060 2.478 -3.493 1.00 74.14 H new ATOM 0 HB2 LEU A 22 -3.262 0.022 -4.965 1.00 34.33 H new ATOM 0 HB3 LEU A 22 -1.976 0.670 -3.965 1.00 34.33 H new ATOM 0 HG LEU A 22 -3.141 0.361 -1.997 1.00 11.55 H new ATOM 0 HD11 LEU A 22 -5.491 -0.310 -1.740 1.00 72.43 H new ATOM 0 HD12 LEU A 22 -5.313 1.290 -2.497 1.00 72.43 H new ATOM 0 HD13 LEU A 22 -5.725 -0.125 -3.494 1.00 72.43 H new ATOM 0 HD21 LEU A 22 -3.913 -2.065 -2.141 1.00 20.22 H new ATOM 0 HD22 LEU A 22 -3.992 -1.900 -3.911 1.00 20.22 H new ATOM 0 HD23 LEU A 22 -2.424 -1.794 -3.076 1.00 20.22 H new ATOM 348 N ARG A 23 -1.966 3.049 -5.961 1.00 52.30 N ATOM 349 CA ARG A 23 -0.901 3.959 -6.363 1.00 20.21 C ATOM 350 C ARG A 23 -1.482 5.368 -6.500 1.00 23.25 C ATOM 351 O ARG A 23 -0.767 6.338 -6.238 1.00 72.43 O ATOM 352 CB ARG A 23 -0.249 3.504 -7.676 1.00 60.23 C ATOM 353 CG ARG A 23 0.533 2.196 -7.484 1.00 32.25 C ATOM 354 CD ARG A 23 0.907 1.553 -8.819 1.00 73.54 C ATOM 355 NE ARG A 23 2.122 2.149 -9.391 1.00 52.30 N ATOM 356 CZ ARG A 23 2.808 1.634 -10.413 1.00 25.51 C ATOM 357 NH1 ARG A 23 2.277 0.671 -11.160 1.00 65.51 N ATOM 358 NH2 ARG A 23 4.037 2.064 -10.672 1.00 60.02 N ATOM 0 H ARG A 23 -2.367 2.509 -6.728 1.00 52.30 H new ATOM 0 HA ARG A 23 -0.121 3.959 -5.602 1.00 20.21 H new ATOM 0 HB2 ARG A 23 -1.017 3.363 -8.437 1.00 60.23 H new ATOM 0 HB3 ARG A 23 0.422 4.282 -8.040 1.00 60.23 H new ATOM 0 HG2 ARG A 23 1.439 2.395 -6.911 1.00 32.25 H new ATOM 0 HG3 ARG A 23 -0.066 1.497 -6.900 1.00 32.25 H new ATOM 0 HD2 ARG A 23 1.059 0.483 -8.677 1.00 73.54 H new ATOM 0 HD3 ARG A 23 0.081 1.667 -9.521 1.00 73.54 H new ATOM 0 HE ARG A 23 2.465 3.016 -8.978 1.00 52.30 H new ATOM 0 HH11 ARG A 23 1.341 0.322 -10.953 1.00 65.51 H new ATOM 0 HH12 ARG A 23 2.806 0.281 -11.940 1.00 65.51 H new ATOM 0 HH21 ARG A 23 4.457 2.788 -10.090 1.00 60.02 H new ATOM 0 HH22 ARG A 23 4.561 1.670 -11.453 1.00 60.02 H new ATOM 372 N LYS A 24 -2.782 5.492 -6.809 1.00 73.50 N ATOM 373 CA LYS A 24 -3.489 6.766 -6.714 1.00 13.14 C ATOM 374 C LYS A 24 -3.434 7.287 -5.278 1.00 12.34 C ATOM 375 O LYS A 24 -3.302 8.487 -5.043 1.00 54.32 O ATOM 376 CB LYS A 24 -4.948 6.687 -7.206 1.00 11.31 C ATOM 377 CG LYS A 24 -5.128 6.297 -8.685 1.00 31.35 C ATOM 378 CD LYS A 24 -5.312 7.496 -9.624 1.00 0.22 C ATOM 379 CE LYS A 24 -5.546 6.958 -11.041 1.00 63.23 C ATOM 380 NZ LYS A 24 -5.995 7.996 -11.990 1.00 24.21 N ATOM 0 H LYS A 24 -3.363 4.717 -7.128 1.00 73.50 H new ATOM 0 HA LYS A 24 -2.979 7.464 -7.378 1.00 13.14 H new ATOM 0 HB2 LYS A 24 -5.482 5.964 -6.590 1.00 11.31 H new ATOM 0 HB3 LYS A 24 -5.421 7.655 -7.043 1.00 11.31 H new ATOM 0 HG2 LYS A 24 -4.259 5.724 -9.008 1.00 31.35 H new ATOM 0 HG3 LYS A 24 -5.994 5.641 -8.775 1.00 31.35 H new ATOM 0 HD2 LYS A 24 -6.157 8.105 -9.303 1.00 0.22 H new ATOM 0 HD3 LYS A 24 -4.431 8.137 -9.601 1.00 0.22 H new ATOM 0 HE2 LYS A 24 -4.623 6.512 -11.410 1.00 63.23 H new ATOM 0 HE3 LYS A 24 -6.291 6.163 -11.003 1.00 63.23 H new ATOM 0 HZ1 LYS A 24 -6.136 7.571 -12.929 1.00 24.21 H new ATOM 0 HZ2 LYS A 24 -6.891 8.406 -11.658 1.00 24.21 H new ATOM 0 HZ3 LYS A 24 -5.275 8.744 -12.053 1.00 24.21 H new ATOM 394 N GLU A 25 -3.538 6.407 -4.282 1.00 3.12 N ATOM 395 CA GLU A 25 -3.375 6.819 -2.892 1.00 21.11 C ATOM 396 C GLU A 25 -1.907 7.030 -2.528 1.00 22.02 C ATOM 397 O GLU A 25 -1.616 7.867 -1.671 1.00 33.22 O ATOM 398 CB GLU A 25 -4.049 5.814 -1.951 1.00 31.11 C ATOM 399 CG GLU A 25 -5.579 5.929 -1.977 1.00 13.53 C ATOM 400 CD GLU A 25 -6.080 7.193 -1.264 1.00 11.32 C ATOM 401 OE1 GLU A 25 -5.889 8.300 -1.806 1.00 64.00 O ATOM 402 OE2 GLU A 25 -6.648 7.083 -0.151 1.00 32.33 O ATOM 0 H GLU A 25 -3.733 5.414 -4.412 1.00 3.12 H new ATOM 0 HA GLU A 25 -3.869 7.783 -2.771 1.00 21.11 H new ATOM 0 HB2 GLU A 25 -3.758 4.803 -2.234 1.00 31.11 H new ATOM 0 HB3 GLU A 25 -3.692 5.976 -0.934 1.00 31.11 H new ATOM 0 HG2 GLU A 25 -5.923 5.937 -3.011 1.00 13.53 H new ATOM 0 HG3 GLU A 25 -6.015 5.050 -1.503 1.00 13.53 H new ATOM 409 N PHE A 26 -0.980 6.321 -3.177 1.00 4.51 N ATOM 410 CA PHE A 26 0.452 6.421 -2.919 1.00 24.21 C ATOM 411 C PHE A 26 0.981 7.830 -3.176 1.00 4.11 C ATOM 412 O PHE A 26 1.862 8.294 -2.447 1.00 22.42 O ATOM 413 CB PHE A 26 1.211 5.421 -3.798 1.00 40.44 C ATOM 414 CG PHE A 26 2.652 5.241 -3.396 1.00 74.32 C ATOM 415 CD1 PHE A 26 2.929 4.368 -2.339 1.00 43.14 C ATOM 416 CD2 PHE A 26 3.700 5.926 -4.041 1.00 61.14 C ATOM 417 CE1 PHE A 26 4.244 4.182 -1.907 1.00 61.22 C ATOM 418 CE2 PHE A 26 5.027 5.731 -3.612 1.00 15.42 C ATOM 419 CZ PHE A 26 5.296 4.865 -2.536 1.00 74.32 C ATOM 0 H PHE A 26 -1.212 5.650 -3.909 1.00 4.51 H new ATOM 0 HA PHE A 26 0.613 6.190 -1.866 1.00 24.21 H new ATOM 0 HB2 PHE A 26 0.707 4.456 -3.755 1.00 40.44 H new ATOM 0 HB3 PHE A 26 1.170 5.756 -4.834 1.00 40.44 H new ATOM 0 HD1 PHE A 26 2.123 3.836 -1.855 1.00 43.14 H new ATOM 0 HD2 PHE A 26 3.487 6.597 -4.860 1.00 61.14 H new ATOM 0 HE1 PHE A 26 4.452 3.511 -1.087 1.00 61.22 H new ATOM 0 HE2 PHE A 26 5.837 6.245 -4.108 1.00 15.42 H new ATOM 0 HZ PHE A 26 6.311 4.726 -2.195 1.00 74.32 H new ATOM 429 N HIS A 27 0.481 8.490 -4.223 1.00 54.20 N ATOM 430 CA HIS A 27 0.897 9.843 -4.568 1.00 60.33 C ATOM 431 C HIS A 27 0.090 10.906 -3.819 1.00 44.50 C ATOM 432 O HIS A 27 0.409 12.096 -3.942 1.00 73.44 O ATOM 433 CB HIS A 27 0.827 10.035 -6.094 1.00 3.45 C ATOM 434 CG HIS A 27 -0.551 9.988 -6.717 1.00 63.43 C ATOM 435 ND1 HIS A 27 -1.633 10.786 -6.406 1.00 55.43 N ATOM 436 CD2 HIS A 27 -0.906 9.230 -7.802 1.00 1.34 C ATOM 437 CE1 HIS A 27 -2.622 10.493 -7.267 1.00 12.01 C ATOM 438 NE2 HIS A 27 -2.212 9.579 -8.158 1.00 40.21 N ATOM 0 H HIS A 27 -0.221 8.099 -4.851 1.00 54.20 H new ATOM 0 HA HIS A 27 1.931 9.975 -4.249 1.00 60.33 H new ATOM 0 HB2 HIS A 27 1.279 10.996 -6.338 1.00 3.45 H new ATOM 0 HB3 HIS A 27 1.440 9.266 -6.563 1.00 3.45 H new ATOM 0 HD2 HIS A 27 -0.287 8.494 -8.294 1.00 1.34 H new ATOM 0 HE1 HIS A 27 -3.608 10.932 -7.244 1.00 12.01 H new ATOM 0 HE2 HIS A 27 -2.749 9.210 -8.943 1.00 40.21 H new ATOM 446 N CYS A 28 -0.970 10.526 -3.086 1.00 44.40 N ATOM 447 CA CYS A 28 -1.899 11.464 -2.479 1.00 4.41 C ATOM 448 C CYS A 28 -1.520 11.721 -1.021 1.00 24.22 C ATOM 449 O CYS A 28 -0.809 12.688 -0.741 1.00 35.41 O ATOM 450 CB CYS A 28 -3.347 10.979 -2.671 1.00 2.33 C ATOM 451 SG CYS A 28 -4.521 12.199 -2.005 1.00 20.41 S ATOM 0 H CYS A 28 -1.199 9.549 -2.903 1.00 44.40 H new ATOM 0 HA CYS A 28 -1.834 12.430 -2.980 1.00 4.41 H new ATOM 0 HB2 CYS A 28 -3.545 10.816 -3.730 1.00 2.33 H new ATOM 0 HB3 CYS A 28 -3.485 10.021 -2.170 1.00 2.33 H new ATOM 0 HG CYS A 28 -5.736 11.772 -2.179 1.00 20.41 H new ATOM 457 N LYS A 29 -1.974 10.874 -0.092 1.00 61.11 N ATOM 458 CA LYS A 29 -1.709 11.086 1.325 1.00 1.43 C ATOM 459 C LYS A 29 -0.351 10.488 1.648 1.00 74.11 C ATOM 460 O LYS A 29 -0.037 9.400 1.159 1.00 52.40 O ATOM 461 CB LYS A 29 -2.786 10.443 2.216 1.00 60.33 C ATOM 462 CG LYS A 29 -4.224 10.939 1.991 1.00 31.32 C ATOM 463 CD LYS A 29 -5.032 10.093 1.002 1.00 15.44 C ATOM 464 CE LYS A 29 -6.485 10.579 0.991 1.00 21.24 C ATOM 465 NZ LYS A 29 -7.294 9.809 0.033 1.00 24.41 N ATOM 0 H LYS A 29 -2.524 10.040 -0.299 1.00 61.11 H new ATOM 0 HA LYS A 29 -1.723 12.157 1.527 1.00 1.43 H new ATOM 0 HB2 LYS A 29 -2.765 9.365 2.058 1.00 60.33 H new ATOM 0 HB3 LYS A 29 -2.520 10.618 3.259 1.00 60.33 H new ATOM 0 HG2 LYS A 29 -4.745 10.955 2.948 1.00 31.32 H new ATOM 0 HG3 LYS A 29 -4.190 11.967 1.629 1.00 31.32 H new ATOM 0 HD2 LYS A 29 -4.603 10.171 0.003 1.00 15.44 H new ATOM 0 HD3 LYS A 29 -4.990 9.041 1.286 1.00 15.44 H new ATOM 0 HE2 LYS A 29 -6.911 10.484 1.990 1.00 21.24 H new ATOM 0 HE3 LYS A 29 -6.516 11.637 0.730 1.00 21.24 H new ATOM 0 HZ1 LYS A 29 -8.182 10.316 -0.158 1.00 24.41 H new ATOM 0 HZ2 LYS A 29 -6.764 9.693 -0.854 1.00 24.41 H new ATOM 0 HZ3 LYS A 29 -7.509 8.873 0.433 1.00 24.41 H new ATOM 479 N LYS A 30 0.409 11.100 2.558 1.00 21.41 N ATOM 480 CA LYS A 30 1.593 10.435 3.099 1.00 2.23 C ATOM 481 C LYS A 30 1.205 9.136 3.810 1.00 12.41 C ATOM 482 O LYS A 30 1.904 8.132 3.637 1.00 1.31 O ATOM 483 CB LYS A 30 2.446 11.356 3.988 1.00 15.54 C ATOM 484 CG LYS A 30 1.692 12.147 5.067 1.00 11.22 C ATOM 485 CD LYS A 30 1.297 13.564 4.630 1.00 11.23 C ATOM 486 CE LYS A 30 0.931 14.393 5.865 1.00 34.04 C ATOM 487 NZ LYS A 30 0.477 15.753 5.513 1.00 3.20 N ATOM 0 H LYS A 30 0.231 12.034 2.928 1.00 21.41 H new ATOM 0 HA LYS A 30 2.232 10.177 2.255 1.00 2.23 H new ATOM 0 HB2 LYS A 30 3.208 10.750 4.478 1.00 15.54 H new ATOM 0 HB3 LYS A 30 2.968 12.065 3.345 1.00 15.54 H new ATOM 0 HG2 LYS A 30 0.792 11.598 5.345 1.00 11.22 H new ATOM 0 HG3 LYS A 30 2.315 12.212 5.959 1.00 11.22 H new ATOM 0 HD2 LYS A 30 2.121 14.034 4.094 1.00 11.23 H new ATOM 0 HD3 LYS A 30 0.452 13.522 3.943 1.00 11.23 H new ATOM 0 HE2 LYS A 30 0.145 13.883 6.422 1.00 34.04 H new ATOM 0 HE3 LYS A 30 1.797 14.461 6.524 1.00 34.04 H new ATOM 0 HZ1 LYS A 30 0.241 16.276 6.381 1.00 3.20 H new ATOM 0 HZ2 LYS A 30 1.235 16.251 5.004 1.00 3.20 H new ATOM 0 HZ3 LYS A 30 -0.365 15.692 4.906 1.00 3.20 H new ATOM 501 N TYR A 31 0.099 9.122 4.557 1.00 52.33 N ATOM 502 CA TYR A 31 -0.436 7.959 5.253 1.00 44.33 C ATOM 503 C TYR A 31 -1.960 8.021 5.234 1.00 11.15 C ATOM 504 O TYR A 31 -2.528 9.109 5.187 1.00 74.22 O ATOM 505 CB TYR A 31 0.108 7.895 6.687 1.00 2.21 C ATOM 506 CG TYR A 31 0.094 9.212 7.441 1.00 1.44 C ATOM 507 CD1 TYR A 31 -1.095 9.704 8.004 1.00 53.31 C ATOM 508 CD2 TYR A 31 1.276 9.965 7.555 1.00 75.31 C ATOM 509 CE1 TYR A 31 -1.096 10.924 8.698 1.00 15.24 C ATOM 510 CE2 TYR A 31 1.279 11.197 8.230 1.00 53.42 C ATOM 511 CZ TYR A 31 0.090 11.680 8.810 1.00 12.44 C ATOM 512 OH TYR A 31 0.098 12.850 9.502 1.00 2.52 O ATOM 0 H TYR A 31 -0.469 9.958 4.697 1.00 52.33 H new ATOM 0 HA TYR A 31 -0.119 7.048 4.745 1.00 44.33 H new ATOM 0 HB2 TYR A 31 -0.477 7.167 7.249 1.00 2.21 H new ATOM 0 HB3 TYR A 31 1.132 7.524 6.654 1.00 2.21 H new ATOM 0 HD1 TYR A 31 -2.011 9.142 7.903 1.00 53.31 H new ATOM 0 HD2 TYR A 31 2.191 9.592 7.119 1.00 75.31 H new ATOM 0 HE1 TYR A 31 -2.009 11.286 9.148 1.00 15.24 H new ATOM 0 HE2 TYR A 31 2.190 11.772 8.304 1.00 53.42 H new ATOM 0 HH TYR A 31 0.998 13.238 9.478 1.00 2.52 H new ATOM 522 N LEU A 32 -2.627 6.865 5.290 1.00 24.04 N ATOM 523 CA LEU A 32 -4.068 6.809 5.535 1.00 11.35 C ATOM 524 C LEU A 32 -4.323 6.933 7.045 1.00 64.41 C ATOM 525 O LEU A 32 -3.403 6.798 7.858 1.00 53.52 O ATOM 526 CB LEU A 32 -4.674 5.488 5.014 1.00 1.12 C ATOM 527 CG LEU A 32 -4.541 5.184 3.508 1.00 31.44 C ATOM 528 CD1 LEU A 32 -5.496 4.040 3.140 1.00 22.14 C ATOM 529 CD2 LEU A 32 -4.840 6.349 2.566 1.00 35.44 C ATOM 0 H LEU A 32 -2.188 5.952 5.168 1.00 24.04 H new ATOM 0 HA LEU A 32 -4.544 7.631 5.001 1.00 11.35 H new ATOM 0 HB2 LEU A 32 -4.213 4.668 5.564 1.00 1.12 H new ATOM 0 HB3 LEU A 32 -5.735 5.484 5.265 1.00 1.12 H new ATOM 0 HG LEU A 32 -3.489 4.935 3.368 1.00 31.44 H new ATOM 0 HD11 LEU A 32 -5.407 3.820 2.076 1.00 22.14 H new ATOM 0 HD12 LEU A 32 -5.239 3.152 3.717 1.00 22.14 H new ATOM 0 HD13 LEU A 32 -6.521 4.335 3.365 1.00 22.14 H new ATOM 0 HD21 LEU A 32 -4.716 6.023 1.533 1.00 35.44 H new ATOM 0 HD22 LEU A 32 -5.865 6.687 2.719 1.00 35.44 H new ATOM 0 HD23 LEU A 32 -4.153 7.170 2.773 1.00 35.44 H new ATOM 541 N SER A 33 -5.587 7.085 7.430 1.00 55.22 N ATOM 542 CA SER A 33 -6.109 6.804 8.764 1.00 12.33 C ATOM 543 C SER A 33 -7.089 5.625 8.684 1.00 42.40 C ATOM 544 O SER A 33 -7.345 5.097 7.600 1.00 34.44 O ATOM 545 CB SER A 33 -6.785 8.060 9.323 1.00 72.11 C ATOM 546 OG SER A 33 -5.836 9.020 9.752 1.00 43.45 O ATOM 0 H SER A 33 -6.308 7.423 6.792 1.00 55.22 H new ATOM 0 HA SER A 33 -5.298 6.530 9.439 1.00 12.33 H new ATOM 0 HB2 SER A 33 -7.426 8.499 8.558 1.00 72.11 H new ATOM 0 HB3 SER A 33 -7.428 7.785 10.159 1.00 72.11 H new ATOM 0 HG SER A 33 -6.303 9.808 10.101 1.00 43.45 H new ATOM 552 N LEU A 34 -7.646 5.204 9.823 1.00 55.10 N ATOM 553 CA LEU A 34 -8.555 4.065 9.902 1.00 15.41 C ATOM 554 C LEU A 34 -9.827 4.334 9.090 1.00 2.41 C ATOM 555 O LEU A 34 -10.291 3.446 8.376 1.00 1.45 O ATOM 556 CB LEU A 34 -8.902 3.779 11.374 1.00 2.14 C ATOM 557 CG LEU A 34 -7.870 3.017 12.226 1.00 14.11 C ATOM 558 CD1 LEU A 34 -7.757 1.556 11.789 1.00 60.14 C ATOM 559 CD2 LEU A 34 -6.478 3.659 12.252 1.00 44.14 C ATOM 0 H LEU A 34 -7.475 5.651 10.724 1.00 55.10 H new ATOM 0 HA LEU A 34 -8.063 3.189 9.478 1.00 15.41 H new ATOM 0 HB2 LEU A 34 -9.098 4.734 11.862 1.00 2.14 H new ATOM 0 HB3 LEU A 34 -9.834 3.214 11.394 1.00 2.14 H new ATOM 0 HG LEU A 34 -8.256 3.069 13.244 1.00 14.11 H new ATOM 0 HD11 LEU A 34 -7.020 1.046 12.410 1.00 60.14 H new ATOM 0 HD12 LEU A 34 -8.725 1.067 11.899 1.00 60.14 H new ATOM 0 HD13 LEU A 34 -7.445 1.511 10.746 1.00 60.14 H new ATOM 0 HD21 LEU A 34 -5.813 3.060 12.874 1.00 44.14 H new ATOM 0 HD22 LEU A 34 -6.081 3.708 11.238 1.00 44.14 H new ATOM 0 HD23 LEU A 34 -6.549 4.666 12.663 1.00 44.14 H new ATOM 571 N THR A 35 -10.377 5.552 9.164 1.00 1.51 N ATOM 572 CA THR A 35 -11.533 5.926 8.356 1.00 23.43 C ATOM 573 C THR A 35 -11.174 5.815 6.866 1.00 71.22 C ATOM 574 O THR A 35 -11.827 5.067 6.137 1.00 31.43 O ATOM 575 CB THR A 35 -12.045 7.317 8.754 1.00 54.23 C ATOM 576 OG1 THR A 35 -12.414 7.373 10.123 1.00 72.45 O ATOM 577 CG2 THR A 35 -13.310 7.685 7.981 1.00 20.43 C ATOM 0 H THR A 35 -10.036 6.293 9.777 1.00 1.51 H new ATOM 0 HA THR A 35 -12.357 5.238 8.542 1.00 23.43 H new ATOM 0 HB THR A 35 -11.223 7.999 8.537 1.00 54.23 H new ATOM 0 HG1 THR A 35 -12.733 8.274 10.339 1.00 72.45 H new ATOM 0 HG21 THR A 35 -13.647 8.676 8.286 1.00 20.43 H new ATOM 0 HG22 THR A 35 -13.096 7.687 6.912 1.00 20.43 H new ATOM 0 HG23 THR A 35 -14.091 6.955 8.193 1.00 20.43 H new ATOM 585 N GLU A 36 -10.097 6.486 6.437 1.00 4.40 N ATOM 586 CA GLU A 36 -9.618 6.498 5.056 1.00 3.23 C ATOM 587 C GLU A 36 -9.464 5.070 4.519 1.00 51.52 C ATOM 588 O GLU A 36 -9.869 4.780 3.397 1.00 54.44 O ATOM 589 CB GLU A 36 -8.253 7.201 4.972 1.00 51.30 C ATOM 590 CG GLU A 36 -8.165 8.642 5.483 1.00 33.44 C ATOM 591 CD GLU A 36 -8.835 9.660 4.558 1.00 32.03 C ATOM 592 OE1 GLU A 36 -10.084 9.748 4.547 1.00 44.15 O ATOM 593 OE2 GLU A 36 -8.112 10.408 3.870 1.00 11.51 O ATOM 0 H GLU A 36 -9.521 7.050 7.062 1.00 4.40 H new ATOM 0 HA GLU A 36 -10.353 7.034 4.455 1.00 3.23 H new ATOM 0 HB2 GLU A 36 -7.532 6.602 5.529 1.00 51.30 H new ATOM 0 HB3 GLU A 36 -7.935 7.194 3.929 1.00 51.30 H new ATOM 0 HG2 GLU A 36 -8.628 8.699 6.468 1.00 33.44 H new ATOM 0 HG3 GLU A 36 -7.116 8.911 5.608 1.00 33.44 H new ATOM 600 N ARG A 37 -8.885 4.171 5.321 1.00 31.12 N ATOM 601 CA ARG A 37 -8.692 2.767 4.974 1.00 35.44 C ATOM 602 C ARG A 37 -10.007 2.054 4.699 1.00 43.33 C ATOM 603 O ARG A 37 -10.036 1.243 3.777 1.00 34.02 O ATOM 604 CB ARG A 37 -7.978 2.039 6.116 1.00 75.01 C ATOM 605 CG ARG A 37 -6.451 2.130 6.032 1.00 61.12 C ATOM 606 CD ARG A 37 -5.758 1.612 7.297 1.00 40.40 C ATOM 607 NE ARG A 37 -6.481 0.480 7.897 1.00 54.33 N ATOM 608 CZ ARG A 37 -6.191 -0.138 9.036 1.00 32.34 C ATOM 609 NH1 ARG A 37 -5.033 0.067 9.656 1.00 55.24 N ATOM 610 NH2 ARG A 37 -7.102 -0.951 9.543 1.00 72.04 N ATOM 0 H ARG A 37 -8.531 4.408 6.248 1.00 31.12 H new ATOM 0 HA ARG A 37 -8.091 2.747 4.065 1.00 35.44 H new ATOM 0 HB2 ARG A 37 -8.308 2.457 7.067 1.00 75.01 H new ATOM 0 HB3 ARG A 37 -8.273 0.990 6.110 1.00 75.01 H new ATOM 0 HG2 ARG A 37 -6.104 1.558 5.172 1.00 61.12 H new ATOM 0 HG3 ARG A 37 -6.162 3.167 5.863 1.00 61.12 H new ATOM 0 HD2 ARG A 37 -4.741 1.304 7.053 1.00 40.40 H new ATOM 0 HD3 ARG A 37 -5.681 2.420 8.025 1.00 40.40 H new ATOM 0 HE ARG A 37 -7.291 0.133 7.384 1.00 54.33 H new ATOM 0 HH11 ARG A 37 -4.348 0.709 9.258 1.00 55.24 H new ATOM 0 HH12 ARG A 37 -4.830 -0.418 10.530 1.00 55.24 H new ATOM 0 HH21 ARG A 37 -7.991 -1.085 9.061 1.00 72.04 H new ATOM 0 HH22 ARG A 37 -6.916 -1.444 10.416 1.00 72.04 H new ATOM 624 N SER A 38 -11.050 2.295 5.495 1.00 72.42 N ATOM 625 CA SER A 38 -12.324 1.617 5.306 1.00 44.12 C ATOM 626 C SER A 38 -12.855 1.910 3.900 1.00 4.33 C ATOM 627 O SER A 38 -13.350 0.983 3.253 1.00 20.21 O ATOM 628 CB SER A 38 -13.306 2.008 6.414 1.00 24.14 C ATOM 629 OG SER A 38 -14.428 1.143 6.432 1.00 64.02 O ATOM 0 H SER A 38 -11.033 2.954 6.274 1.00 72.42 H new ATOM 0 HA SER A 38 -12.191 0.538 5.383 1.00 44.12 H new ATOM 0 HB2 SER A 38 -12.801 1.974 7.380 1.00 24.14 H new ATOM 0 HB3 SER A 38 -13.638 3.035 6.264 1.00 24.14 H new ATOM 0 HG SER A 38 -15.038 1.414 7.149 1.00 64.02 H new ATOM 635 N GLN A 39 -12.671 3.140 3.395 1.00 72.22 N ATOM 636 CA GLN A 39 -13.000 3.479 2.017 1.00 40.14 C ATOM 637 C GLN A 39 -12.215 2.584 1.063 1.00 23.11 C ATOM 638 O GLN A 39 -12.823 1.781 0.370 1.00 51.23 O ATOM 639 CB GLN A 39 -12.730 4.958 1.689 1.00 23.24 C ATOM 640 CG GLN A 39 -13.439 5.992 2.570 1.00 71.22 C ATOM 641 CD GLN A 39 -13.082 7.396 2.083 1.00 0.10 C ATOM 642 OE1 GLN A 39 -13.889 8.096 1.487 1.00 31.33 O ATOM 643 NE2 GLN A 39 -11.847 7.836 2.274 1.00 13.20 N ATOM 0 H GLN A 39 -12.291 3.918 3.934 1.00 72.22 H new ATOM 0 HA GLN A 39 -14.070 3.313 1.891 1.00 40.14 H new ATOM 0 HB2 GLN A 39 -11.656 5.132 1.755 1.00 23.24 H new ATOM 0 HB3 GLN A 39 -13.019 5.136 0.653 1.00 23.24 H new ATOM 0 HG2 GLN A 39 -14.518 5.843 2.529 1.00 71.22 H new ATOM 0 HG3 GLN A 39 -13.139 5.868 3.611 1.00 71.22 H new ATOM 0 HE21 GLN A 39 -11.170 7.256 2.770 1.00 13.20 H new ATOM 0 HE22 GLN A 39 -11.573 8.754 1.925 1.00 13.20 H new ATOM 652 N ILE A 40 -10.881 2.677 1.048 1.00 11.43 N ATOM 653 CA ILE A 40 -10.019 2.044 0.035 1.00 42.31 C ATOM 654 C ILE A 40 -10.137 0.515 0.050 1.00 4.12 C ATOM 655 O ILE A 40 -9.853 -0.159 -0.936 1.00 43.40 O ATOM 656 CB ILE A 40 -8.559 2.531 0.247 1.00 20.41 C ATOM 657 CG1 ILE A 40 -8.449 4.069 0.273 1.00 54.24 C ATOM 658 CG2 ILE A 40 -7.559 1.999 -0.795 1.00 35.42 C ATOM 659 CD1 ILE A 40 -9.280 4.752 -0.816 1.00 71.43 C ATOM 0 H ILE A 40 -10.358 3.202 1.749 1.00 11.43 H new ATOM 0 HA ILE A 40 -10.350 2.346 -0.959 1.00 42.31 H new ATOM 0 HB ILE A 40 -8.292 2.118 1.220 1.00 20.41 H new ATOM 0 HG12 ILE A 40 -8.771 4.433 1.249 1.00 54.24 H new ATOM 0 HG13 ILE A 40 -7.404 4.354 0.155 1.00 54.24 H new ATOM 0 HG21 ILE A 40 -6.564 2.386 -0.575 1.00 35.42 H new ATOM 0 HG22 ILE A 40 -7.541 0.910 -0.759 1.00 35.42 H new ATOM 0 HG23 ILE A 40 -7.863 2.324 -1.790 1.00 35.42 H new ATOM 0 HD11 ILE A 40 -9.158 5.833 -0.742 1.00 71.43 H new ATOM 0 HD12 ILE A 40 -8.943 4.415 -1.796 1.00 71.43 H new ATOM 0 HD13 ILE A 40 -10.331 4.495 -0.686 1.00 71.43 H new ATOM 671 N ALA A 41 -10.577 -0.033 1.174 1.00 15.41 N ATOM 672 CA ALA A 41 -10.809 -1.451 1.350 1.00 20.44 C ATOM 673 C ALA A 41 -12.157 -1.832 0.759 1.00 20.21 C ATOM 674 O ALA A 41 -12.214 -2.743 -0.067 1.00 34.43 O ATOM 675 CB ALA A 41 -10.701 -1.810 2.831 1.00 60.00 C ATOM 0 H ALA A 41 -10.787 0.515 2.008 1.00 15.41 H new ATOM 0 HA ALA A 41 -10.049 -2.023 0.818 1.00 20.44 H new ATOM 0 HB1 ALA A 41 -10.876 -2.878 2.960 1.00 60.00 H new ATOM 0 HB2 ALA A 41 -9.704 -1.559 3.194 1.00 60.00 H new ATOM 0 HB3 ALA A 41 -11.445 -1.249 3.397 1.00 60.00 H new ATOM 681 N HIS A 42 -13.229 -1.131 1.143 1.00 34.24 N ATOM 682 CA HIS A 42 -14.550 -1.387 0.591 1.00 74.42 C ATOM 683 C HIS A 42 -14.516 -1.191 -0.922 1.00 31.21 C ATOM 684 O HIS A 42 -15.033 -2.038 -1.653 1.00 22.15 O ATOM 685 CB HIS A 42 -15.581 -0.460 1.242 1.00 43.13 C ATOM 686 CG HIS A 42 -16.962 -0.596 0.651 1.00 23.54 C ATOM 687 ND1 HIS A 42 -17.902 -1.538 0.997 1.00 35.32 N ATOM 688 CD2 HIS A 42 -17.486 0.156 -0.363 1.00 73.34 C ATOM 689 CE1 HIS A 42 -18.978 -1.354 0.214 1.00 52.31 C ATOM 690 NE2 HIS A 42 -18.775 -0.321 -0.621 1.00 64.11 N ATOM 0 H HIS A 42 -13.201 -0.382 1.835 1.00 34.24 H new ATOM 0 HA HIS A 42 -14.841 -2.416 0.802 1.00 74.42 H new ATOM 0 HB2 HIS A 42 -15.628 -0.673 2.310 1.00 43.13 H new ATOM 0 HB3 HIS A 42 -15.248 0.573 1.137 1.00 43.13 H new ATOM 0 HD2 HIS A 42 -16.994 0.971 -0.873 1.00 73.34 H new ATOM 0 HE1 HIS A 42 -19.877 -1.951 0.250 1.00 52.31 H new ATOM 0 HE2 HIS A 42 -19.433 0.044 -1.309 1.00 64.11 H new ATOM 698 N ALA A 43 -13.844 -0.123 -1.362 1.00 54.32 N ATOM 699 CA ALA A 43 -13.765 0.340 -2.738 1.00 54.31 C ATOM 700 C ALA A 43 -13.159 -0.689 -3.687 1.00 4.14 C ATOM 701 O ALA A 43 -13.356 -0.589 -4.898 1.00 15.05 O ATOM 702 CB ALA A 43 -12.919 1.620 -2.787 1.00 74.14 C ATOM 0 H ALA A 43 -13.312 0.471 -0.726 1.00 54.32 H new ATOM 0 HA ALA A 43 -14.787 0.522 -3.072 1.00 54.31 H new ATOM 0 HB1 ALA A 43 -12.854 1.974 -3.816 1.00 74.14 H new ATOM 0 HB2 ALA A 43 -13.384 2.387 -2.167 1.00 74.14 H new ATOM 0 HB3 ALA A 43 -11.917 1.409 -2.413 1.00 74.14 H new ATOM 708 N LEU A 44 -12.416 -1.651 -3.140 1.00 62.10 N ATOM 709 CA LEU A 44 -11.660 -2.656 -3.863 1.00 60.31 C ATOM 710 C LEU A 44 -12.043 -4.054 -3.387 1.00 45.41 C ATOM 711 O LEU A 44 -11.311 -4.998 -3.671 1.00 34.35 O ATOM 712 CB LEU A 44 -10.157 -2.387 -3.680 1.00 3.03 C ATOM 713 CG LEU A 44 -9.686 -1.050 -4.274 1.00 43.41 C ATOM 714 CD1 LEU A 44 -8.203 -0.855 -3.957 1.00 14.11 C ATOM 715 CD2 LEU A 44 -9.905 -1.003 -5.788 1.00 63.34 C ATOM 0 H LEU A 44 -12.325 -1.749 -2.129 1.00 62.10 H new ATOM 0 HA LEU A 44 -11.895 -2.600 -4.926 1.00 60.31 H new ATOM 0 HB2 LEU A 44 -9.922 -2.403 -2.616 1.00 3.03 H new ATOM 0 HB3 LEU A 44 -9.594 -3.197 -4.143 1.00 3.03 H new ATOM 0 HG LEU A 44 -10.273 -0.247 -3.828 1.00 43.41 H new ATOM 0 HD11 LEU A 44 -7.863 0.092 -4.376 1.00 14.11 H new ATOM 0 HD12 LEU A 44 -8.060 -0.846 -2.876 1.00 14.11 H new ATOM 0 HD13 LEU A 44 -7.627 -1.672 -4.392 1.00 14.11 H new ATOM 0 HD21 LEU A 44 -9.561 -0.044 -6.176 1.00 63.34 H new ATOM 0 HD22 LEU A 44 -9.344 -1.808 -6.262 1.00 63.34 H new ATOM 0 HD23 LEU A 44 -10.966 -1.123 -6.006 1.00 63.34 H new ATOM 727 N LYS A 45 -13.163 -4.201 -2.666 1.00 22.53 N ATOM 728 CA LYS A 45 -13.712 -5.478 -2.198 1.00 25.15 C ATOM 729 C LYS A 45 -12.875 -6.182 -1.124 1.00 3.04 C ATOM 730 O LYS A 45 -13.180 -7.310 -0.731 1.00 73.52 O ATOM 731 CB LYS A 45 -14.004 -6.389 -3.410 1.00 42.40 C ATOM 732 CG LYS A 45 -15.482 -6.745 -3.495 1.00 70.20 C ATOM 733 CD LYS A 45 -15.913 -7.725 -2.406 1.00 14.45 C ATOM 734 CE LYS A 45 -17.347 -8.168 -2.692 1.00 43.42 C ATOM 735 NZ LYS A 45 -17.775 -9.270 -1.816 1.00 12.21 N ATOM 0 H LYS A 45 -13.732 -3.403 -2.383 1.00 22.53 H new ATOM 0 HA LYS A 45 -14.645 -5.250 -1.683 1.00 25.15 H new ATOM 0 HB2 LYS A 45 -13.696 -5.887 -4.327 1.00 42.40 H new ATOM 0 HB3 LYS A 45 -13.412 -7.301 -3.332 1.00 42.40 H new ATOM 0 HG2 LYS A 45 -16.076 -5.835 -3.416 1.00 70.20 H new ATOM 0 HG3 LYS A 45 -15.692 -7.179 -4.473 1.00 70.20 H new ATOM 0 HD2 LYS A 45 -15.247 -8.587 -2.387 1.00 14.45 H new ATOM 0 HD3 LYS A 45 -15.851 -7.253 -1.425 1.00 14.45 H new ATOM 0 HE2 LYS A 45 -18.020 -7.320 -2.561 1.00 43.42 H new ATOM 0 HE3 LYS A 45 -17.428 -8.482 -3.733 1.00 43.42 H new ATOM 0 HZ1 LYS A 45 -18.753 -9.537 -2.046 1.00 12.21 H new ATOM 0 HZ2 LYS A 45 -17.150 -10.089 -1.958 1.00 12.21 H new ATOM 0 HZ3 LYS A 45 -17.724 -8.964 -0.823 1.00 12.21 H new ATOM 749 N LEU A 46 -11.831 -5.530 -0.631 1.00 1.25 N ATOM 750 CA LEU A 46 -10.811 -6.086 0.249 1.00 31.34 C ATOM 751 C LEU A 46 -11.204 -5.895 1.715 1.00 0.01 C ATOM 752 O LEU A 46 -12.141 -5.153 2.041 1.00 60.20 O ATOM 753 CB LEU A 46 -9.468 -5.409 -0.087 1.00 24.41 C ATOM 754 CG LEU A 46 -8.854 -5.950 -1.398 1.00 25.31 C ATOM 755 CD1 LEU A 46 -7.812 -4.973 -1.941 1.00 30.42 C ATOM 756 CD2 LEU A 46 -8.176 -7.303 -1.177 1.00 61.10 C ATOM 0 H LEU A 46 -11.664 -4.547 -0.845 1.00 1.25 H new ATOM 0 HA LEU A 46 -10.714 -7.161 0.094 1.00 31.34 H new ATOM 0 HB2 LEU A 46 -9.617 -4.333 -0.175 1.00 24.41 H new ATOM 0 HB3 LEU A 46 -8.768 -5.568 0.733 1.00 24.41 H new ATOM 0 HG LEU A 46 -9.669 -6.067 -2.112 1.00 25.31 H new ATOM 0 HD11 LEU A 46 -7.389 -5.368 -2.864 1.00 30.42 H new ATOM 0 HD12 LEU A 46 -8.284 -4.011 -2.141 1.00 30.42 H new ATOM 0 HD13 LEU A 46 -7.018 -4.841 -1.205 1.00 30.42 H new ATOM 0 HD21 LEU A 46 -7.754 -7.657 -2.118 1.00 61.10 H new ATOM 0 HD22 LEU A 46 -7.380 -7.195 -0.440 1.00 61.10 H new ATOM 0 HD23 LEU A 46 -8.910 -8.023 -0.815 1.00 61.10 H new ATOM 768 N SER A 47 -10.460 -6.541 2.620 1.00 4.25 N ATOM 769 CA SER A 47 -10.464 -6.156 4.029 1.00 21.21 C ATOM 770 C SER A 47 -9.409 -5.074 4.260 1.00 75.44 C ATOM 771 O SER A 47 -8.361 -5.097 3.615 1.00 71.10 O ATOM 772 CB SER A 47 -10.195 -7.369 4.917 1.00 42.33 C ATOM 773 OG SER A 47 -11.354 -8.176 4.984 1.00 12.23 O ATOM 0 H SER A 47 -9.851 -7.329 2.400 1.00 4.25 H new ATOM 0 HA SER A 47 -11.445 -5.761 4.291 1.00 21.21 H new ATOM 0 HB2 SER A 47 -9.361 -7.946 4.518 1.00 42.33 H new ATOM 0 HB3 SER A 47 -9.908 -7.044 5.917 1.00 42.33 H new ATOM 0 HG SER A 47 -11.178 -8.954 5.553 1.00 12.23 H new ATOM 779 N GLU A 48 -9.623 -4.179 5.228 1.00 41.24 N ATOM 780 CA GLU A 48 -8.651 -3.144 5.586 1.00 43.54 C ATOM 781 C GLU A 48 -7.291 -3.750 5.914 1.00 53.31 C ATOM 782 O GLU A 48 -6.259 -3.190 5.552 1.00 35.22 O ATOM 783 CB GLU A 48 -9.100 -2.369 6.823 1.00 61.24 C ATOM 784 CG GLU A 48 -10.328 -1.478 6.642 1.00 21.21 C ATOM 785 CD GLU A 48 -10.680 -0.855 7.992 1.00 31.21 C ATOM 786 OE1 GLU A 48 -9.758 -0.347 8.680 1.00 3.42 O ATOM 787 OE2 GLU A 48 -11.849 -0.971 8.423 1.00 4.42 O ATOM 0 H GLU A 48 -10.476 -4.152 5.786 1.00 41.24 H new ATOM 0 HA GLU A 48 -8.578 -2.483 4.722 1.00 43.54 H new ATOM 0 HB2 GLU A 48 -9.307 -3.083 7.620 1.00 61.24 H new ATOM 0 HB3 GLU A 48 -8.270 -1.747 7.160 1.00 61.24 H new ATOM 0 HG2 GLU A 48 -10.125 -0.699 5.907 1.00 21.21 H new ATOM 0 HG3 GLU A 48 -11.167 -2.062 6.264 1.00 21.21 H new ATOM 794 N VAL A 49 -7.287 -4.891 6.602 1.00 61.22 N ATOM 795 CA VAL A 49 -6.065 -5.572 6.998 1.00 53.32 C ATOM 796 C VAL A 49 -5.262 -6.021 5.769 1.00 71.40 C ATOM 797 O VAL A 49 -4.038 -6.019 5.808 1.00 4.21 O ATOM 798 CB VAL A 49 -6.437 -6.733 7.943 1.00 34.24 C ATOM 799 CG1 VAL A 49 -5.236 -7.627 8.260 1.00 15.42 C ATOM 800 CG2 VAL A 49 -7.025 -6.205 9.263 1.00 55.10 C ATOM 0 H VAL A 49 -8.138 -5.368 6.900 1.00 61.22 H new ATOM 0 HA VAL A 49 -5.407 -4.893 7.540 1.00 53.32 H new ATOM 0 HB VAL A 49 -7.185 -7.327 7.418 1.00 34.24 H new ATOM 0 HG11 VAL A 49 -5.547 -8.430 8.928 1.00 15.42 H new ATOM 0 HG12 VAL A 49 -4.846 -8.054 7.336 1.00 15.42 H new ATOM 0 HG13 VAL A 49 -4.458 -7.034 8.742 1.00 15.42 H new ATOM 0 HG21 VAL A 49 -7.278 -7.045 9.910 1.00 55.10 H new ATOM 0 HG22 VAL A 49 -6.291 -5.572 9.761 1.00 55.10 H new ATOM 0 HG23 VAL A 49 -7.923 -5.624 9.054 1.00 55.10 H new ATOM 810 N GLN A 50 -5.908 -6.365 4.658 1.00 14.21 N ATOM 811 CA GLN A 50 -5.208 -6.629 3.413 1.00 72.31 C ATOM 812 C GLN A 50 -4.551 -5.339 2.904 1.00 72.32 C ATOM 813 O GLN A 50 -3.369 -5.333 2.560 1.00 72.10 O ATOM 814 CB GLN A 50 -6.190 -7.183 2.371 1.00 3.25 C ATOM 815 CG GLN A 50 -6.936 -8.467 2.778 1.00 52.31 C ATOM 816 CD GLN A 50 -6.691 -9.607 1.795 1.00 41.40 C ATOM 817 OE1 GLN A 50 -6.782 -9.434 0.589 1.00 1.55 O ATOM 818 NE2 GLN A 50 -6.381 -10.801 2.256 1.00 45.40 N ATOM 0 H GLN A 50 -6.921 -6.467 4.599 1.00 14.21 H new ATOM 0 HA GLN A 50 -4.429 -7.372 3.585 1.00 72.31 H new ATOM 0 HB2 GLN A 50 -6.927 -6.412 2.146 1.00 3.25 H new ATOM 0 HB3 GLN A 50 -5.642 -7.379 1.449 1.00 3.25 H new ATOM 0 HG2 GLN A 50 -6.615 -8.772 3.774 1.00 52.31 H new ATOM 0 HG3 GLN A 50 -8.005 -8.262 2.836 1.00 52.31 H new ATOM 0 HE21 GLN A 50 -6.303 -10.955 3.261 1.00 45.40 H new ATOM 0 HE22 GLN A 50 -6.219 -11.572 1.608 1.00 45.40 H new ATOM 827 N VAL A 51 -5.312 -4.242 2.849 1.00 33.43 N ATOM 828 CA VAL A 51 -4.861 -2.962 2.309 1.00 63.00 C ATOM 829 C VAL A 51 -3.673 -2.423 3.120 1.00 0.22 C ATOM 830 O VAL A 51 -2.672 -2.002 2.532 1.00 34.21 O ATOM 831 CB VAL A 51 -6.052 -1.980 2.240 1.00 20.33 C ATOM 832 CG1 VAL A 51 -5.650 -0.636 1.621 1.00 34.34 C ATOM 833 CG2 VAL A 51 -7.194 -2.556 1.390 1.00 61.14 C ATOM 0 H VAL A 51 -6.275 -4.221 3.185 1.00 33.43 H new ATOM 0 HA VAL A 51 -4.495 -3.093 1.291 1.00 63.00 H new ATOM 0 HB VAL A 51 -6.378 -1.829 3.269 1.00 20.33 H new ATOM 0 HG11 VAL A 51 -6.516 0.025 1.591 1.00 34.34 H new ATOM 0 HG12 VAL A 51 -4.865 -0.178 2.223 1.00 34.34 H new ATOM 0 HG13 VAL A 51 -5.282 -0.798 0.608 1.00 34.34 H new ATOM 0 HG21 VAL A 51 -8.019 -1.844 1.359 1.00 61.14 H new ATOM 0 HG22 VAL A 51 -6.836 -2.741 0.377 1.00 61.14 H new ATOM 0 HG23 VAL A 51 -7.539 -3.492 1.830 1.00 61.14 H new ATOM 843 N LYS A 52 -3.732 -2.483 4.458 1.00 40.43 N ATOM 844 CA LYS A 52 -2.668 -1.989 5.339 1.00 72.14 C ATOM 845 C LYS A 52 -1.331 -2.683 5.067 1.00 24.24 C ATOM 846 O LYS A 52 -0.266 -2.123 5.349 1.00 74.23 O ATOM 847 CB LYS A 52 -3.128 -2.023 6.804 1.00 40.14 C ATOM 848 CG LYS A 52 -2.848 -3.342 7.508 1.00 60.24 C ATOM 849 CD LYS A 52 -3.587 -3.475 8.842 1.00 61.12 C ATOM 850 CE LYS A 52 -2.697 -3.118 10.033 1.00 60.20 C ATOM 851 NZ LYS A 52 -3.408 -3.215 11.329 1.00 20.01 N ATOM 0 H LYS A 52 -4.526 -2.879 4.961 1.00 40.43 H new ATOM 0 HA LYS A 52 -2.473 -0.941 5.112 1.00 72.14 H new ATOM 0 HB2 LYS A 52 -2.632 -1.219 7.349 1.00 40.14 H new ATOM 0 HB3 LYS A 52 -4.199 -1.822 6.843 1.00 40.14 H new ATOM 0 HG2 LYS A 52 -3.137 -4.165 6.855 1.00 60.24 H new ATOM 0 HG3 LYS A 52 -1.776 -3.435 7.682 1.00 60.24 H new ATOM 0 HD2 LYS A 52 -4.462 -2.825 8.837 1.00 61.12 H new ATOM 0 HD3 LYS A 52 -3.949 -4.497 8.955 1.00 61.12 H new ATOM 0 HE2 LYS A 52 -1.833 -3.782 10.047 1.00 60.20 H new ATOM 0 HE3 LYS A 52 -2.318 -2.104 9.907 1.00 60.20 H new ATOM 0 HZ1 LYS A 52 -2.758 -2.963 12.101 1.00 20.01 H new ATOM 0 HZ2 LYS A 52 -4.218 -2.562 11.330 1.00 20.01 H new ATOM 0 HZ3 LYS A 52 -3.748 -4.188 11.467 1.00 20.01 H new ATOM 865 N ILE A 53 -1.372 -3.907 4.535 1.00 71.02 N ATOM 866 CA ILE A 53 -0.195 -4.692 4.172 1.00 14.45 C ATOM 867 C ILE A 53 0.301 -4.321 2.769 1.00 20.13 C ATOM 868 O ILE A 53 1.516 -4.325 2.552 1.00 60.34 O ATOM 869 CB ILE A 53 -0.488 -6.207 4.314 1.00 60.23 C ATOM 870 CG1 ILE A 53 -0.866 -6.574 5.768 1.00 74.34 C ATOM 871 CG2 ILE A 53 0.724 -7.054 3.881 1.00 41.20 C ATOM 872 CD1 ILE A 53 -1.569 -7.932 5.881 1.00 34.21 C ATOM 0 H ILE A 53 -2.249 -4.390 4.341 1.00 71.02 H new ATOM 0 HA ILE A 53 0.613 -4.453 4.864 1.00 14.45 H new ATOM 0 HB ILE A 53 -1.331 -6.427 3.659 1.00 60.23 H new ATOM 0 HG12 ILE A 53 0.036 -6.586 6.380 1.00 74.34 H new ATOM 0 HG13 ILE A 53 -1.516 -5.800 6.175 1.00 74.34 H new ATOM 0 HG21 ILE A 53 0.487 -8.112 3.992 1.00 41.20 H new ATOM 0 HG22 ILE A 53 0.961 -6.843 2.838 1.00 41.20 H new ATOM 0 HG23 ILE A 53 1.582 -6.807 4.506 1.00 41.20 H new ATOM 0 HD11 ILE A 53 -1.808 -8.132 6.925 1.00 34.21 H new ATOM 0 HD12 ILE A 53 -2.488 -7.916 5.295 1.00 34.21 H new ATOM 0 HD13 ILE A 53 -0.911 -8.715 5.503 1.00 34.21 H new ATOM 884 N TRP A 54 -0.571 -3.982 1.815 1.00 73.40 N ATOM 885 CA TRP A 54 -0.096 -3.546 0.505 1.00 1.13 C ATOM 886 C TRP A 54 0.655 -2.224 0.637 1.00 20.31 C ATOM 887 O TRP A 54 1.804 -2.132 0.209 1.00 42.24 O ATOM 888 CB TRP A 54 -1.231 -3.426 -0.510 1.00 20.22 C ATOM 889 CG TRP A 54 -0.740 -3.366 -1.927 1.00 20.03 C ATOM 890 CD1 TRP A 54 -0.767 -4.415 -2.779 1.00 71.31 C ATOM 891 CD2 TRP A 54 -0.214 -2.230 -2.699 1.00 61.03 C ATOM 892 NE1 TRP A 54 -0.279 -4.026 -4.007 1.00 33.23 N ATOM 893 CE2 TRP A 54 0.040 -2.686 -4.029 1.00 24.35 C ATOM 894 CE3 TRP A 54 -0.020 -0.846 -2.462 1.00 1.34 C ATOM 895 CZ2 TRP A 54 0.465 -1.830 -5.053 1.00 42.42 C ATOM 896 CZ3 TRP A 54 0.425 0.024 -3.482 1.00 42.34 C ATOM 897 CH2 TRP A 54 0.683 -0.476 -4.768 1.00 21.13 C ATOM 0 H TRP A 54 -1.585 -4.001 1.923 1.00 73.40 H new ATOM 0 HA TRP A 54 0.585 -4.309 0.128 1.00 1.13 H new ATOM 0 HB2 TRP A 54 -1.903 -4.277 -0.399 1.00 20.22 H new ATOM 0 HB3 TRP A 54 -1.813 -2.530 -0.294 1.00 20.22 H new ATOM 0 HD1 TRP A 54 -1.118 -5.407 -2.534 1.00 71.31 H new ATOM 0 HE1 TRP A 54 -0.167 -4.654 -4.803 1.00 33.23 H new ATOM 0 HE3 TRP A 54 -0.217 -0.447 -1.478 1.00 1.34 H new ATOM 0 HZ2 TRP A 54 0.623 -2.210 -6.052 1.00 42.42 H new ATOM 0 HZ3 TRP A 54 0.567 1.074 -3.272 1.00 42.34 H new ATOM 0 HH2 TRP A 54 1.050 0.185 -5.539 1.00 21.13 H new ATOM 908 N PHE A 55 0.029 -1.230 1.277 1.00 21.14 N ATOM 909 CA PHE A 55 0.582 0.113 1.434 1.00 22.01 C ATOM 910 C PHE A 55 2.011 0.051 1.980 1.00 74.12 C ATOM 911 O PHE A 55 2.927 0.586 1.353 1.00 4.14 O ATOM 912 CB PHE A 55 -0.330 0.965 2.331 1.00 35.03 C ATOM 913 CG PHE A 55 -1.416 1.742 1.600 1.00 3.33 C ATOM 914 CD1 PHE A 55 -2.534 1.092 1.042 1.00 60.44 C ATOM 915 CD2 PHE A 55 -1.327 3.146 1.513 1.00 23.41 C ATOM 916 CE1 PHE A 55 -3.559 1.846 0.441 1.00 44.50 C ATOM 917 CE2 PHE A 55 -2.345 3.891 0.894 1.00 24.05 C ATOM 918 CZ PHE A 55 -3.463 3.240 0.363 1.00 73.41 C ATOM 0 H PHE A 55 -0.890 -1.341 1.706 1.00 21.14 H new ATOM 0 HA PHE A 55 0.627 0.590 0.455 1.00 22.01 H new ATOM 0 HB2 PHE A 55 -0.804 0.312 3.064 1.00 35.03 H new ATOM 0 HB3 PHE A 55 0.289 1.671 2.885 1.00 35.03 H new ATOM 0 HD1 PHE A 55 -2.605 0.015 1.075 1.00 60.44 H new ATOM 0 HD2 PHE A 55 -0.468 3.654 1.926 1.00 23.41 H new ATOM 0 HE1 PHE A 55 -4.426 1.345 0.037 1.00 44.50 H new ATOM 0 HE2 PHE A 55 -2.264 4.966 0.828 1.00 24.05 H new ATOM 0 HZ PHE A 55 -4.250 3.812 -0.106 1.00 73.41 H new ATOM 928 N GLN A 56 2.219 -0.637 3.109 1.00 53.23 N ATOM 929 CA GLN A 56 3.540 -0.767 3.715 1.00 12.11 C ATOM 930 C GLN A 56 4.566 -1.391 2.765 1.00 73.34 C ATOM 931 O GLN A 56 5.708 -0.940 2.702 1.00 72.23 O ATOM 932 CB GLN A 56 3.468 -1.535 5.038 1.00 12.45 C ATOM 933 CG GLN A 56 3.056 -2.982 4.904 1.00 4.12 C ATOM 934 CD GLN A 56 2.965 -3.670 6.252 1.00 34.22 C ATOM 935 OE1 GLN A 56 3.939 -4.227 6.749 1.00 34.25 O ATOM 936 NE2 GLN A 56 1.802 -3.668 6.870 1.00 52.44 N ATOM 0 H GLN A 56 1.478 -1.115 3.622 1.00 53.23 H new ATOM 0 HA GLN A 56 3.888 0.244 3.927 1.00 12.11 H new ATOM 0 HB2 GLN A 56 4.444 -1.492 5.521 1.00 12.45 H new ATOM 0 HB3 GLN A 56 2.763 -1.030 5.698 1.00 12.45 H new ATOM 0 HG2 GLN A 56 2.091 -3.040 4.401 1.00 4.12 H new ATOM 0 HG3 GLN A 56 3.775 -3.508 4.276 1.00 4.12 H new ATOM 0 HE21 GLN A 56 1.000 -3.201 6.446 1.00 52.44 H new ATOM 0 HE22 GLN A 56 1.703 -4.133 7.772 1.00 52.44 H new ATOM 945 N ASN A 57 4.172 -2.432 2.026 1.00 35.32 N ATOM 946 CA ASN A 57 5.071 -3.173 1.152 1.00 15.12 C ATOM 947 C ASN A 57 5.563 -2.264 0.032 1.00 35.23 C ATOM 948 O ASN A 57 6.717 -2.346 -0.388 1.00 40.14 O ATOM 949 CB ASN A 57 4.342 -4.393 0.568 1.00 54.34 C ATOM 950 CG ASN A 57 4.608 -5.646 1.381 1.00 40.30 C ATOM 951 OD1 ASN A 57 5.402 -6.480 0.955 1.00 21.41 O ATOM 952 ND2 ASN A 57 3.966 -5.789 2.533 1.00 72.32 N ATOM 0 H ASN A 57 3.214 -2.782 2.021 1.00 35.32 H new ATOM 0 HA ASN A 57 5.929 -3.520 1.727 1.00 15.12 H new ATOM 0 HB2 ASN A 57 3.270 -4.198 0.540 1.00 54.34 H new ATOM 0 HB3 ASN A 57 4.664 -4.551 -0.461 1.00 54.34 H new ATOM 0 HD21 ASN A 57 4.123 -6.619 3.105 1.00 72.32 H new ATOM 0 HD22 ASN A 57 3.315 -5.069 2.847 1.00 72.32 H new ATOM 959 N GLU A 58 4.674 -1.398 -0.443 1.00 62.00 N ATOM 960 CA GLU A 58 4.949 -0.475 -1.529 1.00 1.22 C ATOM 961 C GLU A 58 5.827 0.655 -1.022 1.00 3.23 C ATOM 962 O GLU A 58 6.893 0.875 -1.586 1.00 31.03 O ATOM 963 CB GLU A 58 3.632 0.044 -2.103 1.00 71.11 C ATOM 964 CG GLU A 58 3.816 0.973 -3.314 1.00 22.24 C ATOM 965 CD GLU A 58 4.571 0.359 -4.493 1.00 54.42 C ATOM 966 OE1 GLU A 58 4.263 -0.770 -4.934 1.00 74.22 O ATOM 967 OE2 GLU A 58 5.473 1.037 -5.029 1.00 12.44 O ATOM 0 H GLU A 58 3.726 -1.320 -0.075 1.00 62.00 H new ATOM 0 HA GLU A 58 5.486 -0.983 -2.330 1.00 1.22 H new ATOM 0 HB2 GLU A 58 3.013 -0.804 -2.396 1.00 71.11 H new ATOM 0 HB3 GLU A 58 3.091 0.579 -1.323 1.00 71.11 H new ATOM 0 HG2 GLU A 58 2.833 1.293 -3.659 1.00 22.24 H new ATOM 0 HG3 GLU A 58 4.347 1.868 -2.989 1.00 22.24 H new ATOM 974 N ARG A 59 5.434 1.326 0.069 1.00 20.13 N ATOM 975 CA ARG A 59 6.234 2.370 0.715 1.00 0.42 C ATOM 976 C ARG A 59 7.664 1.880 0.907 1.00 75.11 C ATOM 977 O ARG A 59 8.597 2.599 0.564 1.00 20.33 O ATOM 978 CB ARG A 59 5.578 2.792 2.050 1.00 35.31 C ATOM 979 CG ARG A 59 4.759 4.093 1.935 1.00 40.12 C ATOM 980 CD ARG A 59 3.617 4.221 2.954 1.00 44.13 C ATOM 981 NE ARG A 59 4.033 3.930 4.335 1.00 63.13 N ATOM 982 CZ ARG A 59 4.505 4.796 5.237 1.00 34.14 C ATOM 983 NH1 ARG A 59 4.687 6.081 4.952 1.00 0.55 N ATOM 984 NH2 ARG A 59 4.811 4.339 6.444 1.00 43.30 N ATOM 0 H ARG A 59 4.541 1.156 0.532 1.00 20.13 H new ATOM 0 HA ARG A 59 6.271 3.254 0.078 1.00 0.42 H new ATOM 0 HB2 ARG A 59 4.928 1.990 2.398 1.00 35.31 H new ATOM 0 HB3 ARG A 59 6.354 2.923 2.804 1.00 35.31 H new ATOM 0 HG2 ARG A 59 5.432 4.942 2.054 1.00 40.12 H new ATOM 0 HG3 ARG A 59 4.341 4.156 0.930 1.00 40.12 H new ATOM 0 HD2 ARG A 59 3.211 5.232 2.910 1.00 44.13 H new ATOM 0 HD3 ARG A 59 2.812 3.542 2.674 1.00 44.13 H new ATOM 0 HE ARG A 59 3.952 2.959 4.638 1.00 63.13 H new ATOM 0 HH11 ARG A 59 4.465 6.433 4.021 1.00 0.55 H new ATOM 0 HH12 ARG A 59 5.049 6.715 5.664 1.00 0.55 H new ATOM 0 HH21 ARG A 59 4.684 3.351 6.662 1.00 43.30 H new ATOM 0 HH22 ARG A 59 5.173 4.976 7.154 1.00 43.30 H new ATOM 998 N ALA A 60 7.835 0.642 1.365 1.00 72.30 N ATOM 999 CA ALA A 60 9.150 0.084 1.633 1.00 11.34 C ATOM 1000 C ALA A 60 9.917 -0.168 0.333 1.00 3.11 C ATOM 1001 O ALA A 60 11.086 0.201 0.246 1.00 20.03 O ATOM 1002 CB ALA A 60 9.017 -1.205 2.452 1.00 62.10 C ATOM 0 H ALA A 60 7.065 0.002 1.559 1.00 72.30 H new ATOM 0 HA ALA A 60 9.721 0.808 2.215 1.00 11.34 H new ATOM 0 HB1 ALA A 60 10.008 -1.616 2.648 1.00 62.10 H new ATOM 0 HB2 ALA A 60 8.522 -0.986 3.398 1.00 62.10 H new ATOM 0 HB3 ALA A 60 8.427 -1.932 1.894 1.00 62.10 H new ATOM 1008 N LYS A 61 9.316 -0.811 -0.681 1.00 60.33 N ATOM 1009 CA LYS A 61 10.029 -1.069 -1.941 1.00 42.53 C ATOM 1010 C LYS A 61 10.354 0.252 -2.619 1.00 75.00 C ATOM 1011 O LYS A 61 11.461 0.392 -3.111 1.00 20.01 O ATOM 1012 CB LYS A 61 9.265 -2.050 -2.862 1.00 51.31 C ATOM 1013 CG LYS A 61 8.373 -1.409 -3.940 1.00 2.24 C ATOM 1014 CD LYS A 61 7.640 -2.451 -4.792 1.00 5.11 C ATOM 1015 CE LYS A 61 7.032 -1.724 -5.995 1.00 4.14 C ATOM 1016 NZ LYS A 61 6.029 -2.525 -6.719 1.00 31.12 N ATOM 0 H LYS A 61 8.356 -1.156 -0.655 1.00 60.33 H new ATOM 0 HA LYS A 61 10.968 -1.573 -1.714 1.00 42.53 H new ATOM 0 HB2 LYS A 61 9.992 -2.694 -3.357 1.00 51.31 H new ATOM 0 HB3 LYS A 61 8.643 -2.692 -2.239 1.00 51.31 H new ATOM 0 HG2 LYS A 61 7.642 -0.757 -3.462 1.00 2.24 H new ATOM 0 HG3 LYS A 61 8.985 -0.781 -4.587 1.00 2.24 H new ATOM 0 HD2 LYS A 61 8.329 -3.228 -5.123 1.00 5.11 H new ATOM 0 HD3 LYS A 61 6.861 -2.943 -4.209 1.00 5.11 H new ATOM 0 HE2 LYS A 61 6.569 -0.798 -5.654 1.00 4.14 H new ATOM 0 HE3 LYS A 61 7.830 -1.447 -6.684 1.00 4.14 H new ATOM 0 HZ1 LYS A 61 6.121 -2.355 -7.741 1.00 31.12 H new ATOM 0 HZ2 LYS A 61 6.182 -3.534 -6.521 1.00 31.12 H new ATOM 0 HZ3 LYS A 61 5.075 -2.251 -6.407 1.00 31.12 H new ATOM 1030 N TRP A 62 9.466 1.241 -2.608 1.00 51.24 N ATOM 1031 CA TRP A 62 9.762 2.536 -3.194 1.00 22.31 C ATOM 1032 C TRP A 62 10.901 3.199 -2.413 1.00 61.24 C ATOM 1033 O TRP A 62 11.822 3.756 -3.009 1.00 64.10 O ATOM 1034 CB TRP A 62 8.493 3.389 -3.228 1.00 0.32 C ATOM 1035 CG TRP A 62 8.375 4.276 -4.427 1.00 33.12 C ATOM 1036 CD1 TRP A 62 7.544 4.067 -5.473 1.00 3.43 C ATOM 1037 CD2 TRP A 62 9.107 5.493 -4.743 1.00 55.54 C ATOM 1038 NE1 TRP A 62 7.682 5.087 -6.394 1.00 31.34 N ATOM 1039 CE2 TRP A 62 8.666 5.974 -6.012 1.00 72.12 C ATOM 1040 CE3 TRP A 62 10.089 6.247 -4.072 1.00 44.12 C ATOM 1041 CZ2 TRP A 62 9.200 7.131 -6.597 1.00 20.25 C ATOM 1042 CZ3 TRP A 62 10.615 7.423 -4.638 1.00 75.13 C ATOM 1043 CH2 TRP A 62 10.180 7.861 -5.902 1.00 62.21 C ATOM 0 H TRP A 62 8.535 1.166 -2.198 1.00 51.24 H new ATOM 0 HA TRP A 62 10.098 2.422 -4.225 1.00 22.31 H new ATOM 0 HB2 TRP A 62 7.626 2.730 -3.193 1.00 0.32 H new ATOM 0 HB3 TRP A 62 8.461 4.006 -2.330 1.00 0.32 H new ATOM 0 HD1 TRP A 62 6.872 3.227 -5.573 1.00 3.43 H new ATOM 0 HE1 TRP A 62 7.128 5.173 -7.246 1.00 31.34 H new ATOM 0 HE3 TRP A 62 10.444 5.917 -3.107 1.00 44.12 H new ATOM 0 HZ2 TRP A 62 8.863 7.457 -7.570 1.00 20.25 H new ATOM 0 HZ3 TRP A 62 11.357 7.993 -4.099 1.00 75.13 H new ATOM 0 HH2 TRP A 62 10.598 8.756 -6.338 1.00 62.21 H new ATOM 1054 N LYS A 63 10.913 3.075 -1.080 1.00 75.40 N ATOM 1055 CA LYS A 63 12.045 3.504 -0.261 1.00 22.11 C ATOM 1056 C LYS A 63 13.298 2.642 -0.448 1.00 23.41 C ATOM 1057 O LYS A 63 14.302 2.934 0.201 1.00 24.12 O ATOM 1058 CB LYS A 63 11.637 3.574 1.222 1.00 64.04 C ATOM 1059 CG LYS A 63 10.791 4.821 1.545 1.00 3.34 C ATOM 1060 CD LYS A 63 11.344 5.582 2.756 1.00 1.15 C ATOM 1061 CE LYS A 63 12.678 6.252 2.381 1.00 20.32 C ATOM 1062 NZ LYS A 63 13.256 7.067 3.466 1.00 53.30 N ATOM 0 H LYS A 63 10.141 2.676 -0.545 1.00 75.40 H new ATOM 0 HA LYS A 63 12.318 4.501 -0.606 1.00 22.11 H new ATOM 0 HB2 LYS A 63 11.072 2.679 1.482 1.00 64.04 H new ATOM 0 HB3 LYS A 63 12.533 3.577 1.842 1.00 64.04 H new ATOM 0 HG2 LYS A 63 10.770 5.482 0.678 1.00 3.34 H new ATOM 0 HG3 LYS A 63 9.762 4.522 1.742 1.00 3.34 H new ATOM 0 HD2 LYS A 63 10.627 6.335 3.083 1.00 1.15 H new ATOM 0 HD3 LYS A 63 11.492 4.898 3.592 1.00 1.15 H new ATOM 0 HE2 LYS A 63 13.394 5.481 2.096 1.00 20.32 H new ATOM 0 HE3 LYS A 63 12.524 6.884 1.506 1.00 20.32 H new ATOM 0 HZ1 LYS A 63 14.151 7.488 3.145 1.00 53.30 H new ATOM 0 HZ2 LYS A 63 12.591 7.824 3.724 1.00 53.30 H new ATOM 0 HZ3 LYS A 63 13.434 6.465 4.295 1.00 53.30 H new ATOM 1076 N ARG A 64 13.310 1.587 -1.273 1.00 35.11 N ATOM 1077 CA ARG A 64 14.574 0.969 -1.687 1.00 32.33 C ATOM 1078 C ARG A 64 15.217 1.816 -2.789 1.00 34.21 C ATOM 1079 O ARG A 64 16.434 1.790 -2.955 1.00 0.33 O ATOM 1080 CB ARG A 64 14.400 -0.520 -2.044 1.00 40.32 C ATOM 1081 CG ARG A 64 14.225 -0.758 -3.540 1.00 0.11 C ATOM 1082 CD ARG A 64 13.668 -2.131 -3.900 1.00 2.13 C ATOM 1083 NE ARG A 64 13.730 -2.366 -5.357 1.00 30.32 N ATOM 1084 CZ ARG A 64 13.733 -3.564 -5.953 1.00 52.54 C ATOM 1085 NH1 ARG A 64 13.679 -4.680 -5.235 1.00 63.00 N ATOM 1086 NH2 ARG A 64 13.786 -3.668 -7.272 1.00 43.51 N ATOM 0 H ARG A 64 12.474 1.150 -1.661 1.00 35.11 H new ATOM 0 HA ARG A 64 15.270 0.959 -0.848 1.00 32.33 H new ATOM 0 HB2 ARG A 64 15.269 -1.076 -1.693 1.00 40.32 H new ATOM 0 HB3 ARG A 64 13.533 -0.916 -1.515 1.00 40.32 H new ATOM 0 HG2 ARG A 64 13.560 0.007 -3.942 1.00 0.11 H new ATOM 0 HG3 ARG A 64 15.190 -0.631 -4.031 1.00 0.11 H new ATOM 0 HD2 ARG A 64 14.234 -2.904 -3.380 1.00 2.13 H new ATOM 0 HD3 ARG A 64 12.635 -2.208 -3.560 1.00 2.13 H new ATOM 0 HE ARG A 64 13.774 -1.545 -5.960 1.00 30.32 H new ATOM 0 HH11 ARG A 64 13.635 -4.630 -4.217 1.00 63.00 H new ATOM 0 HH12 ARG A 64 13.682 -5.587 -5.701 1.00 63.00 H new ATOM 0 HH21 ARG A 64 13.825 -2.828 -7.849 1.00 43.51 H new ATOM 0 HH22 ARG A 64 13.788 -4.589 -7.711 1.00 43.51 H new ATOM 1100 N ILE A 65 14.392 2.559 -3.524 1.00 61.42 N ATOM 1101 CA ILE A 65 14.749 3.379 -4.668 1.00 51.52 C ATOM 1102 C ILE A 65 15.148 4.750 -4.120 1.00 75.34 C ATOM 1103 O ILE A 65 16.329 5.004 -3.912 1.00 62.03 O ATOM 1104 CB ILE A 65 13.602 3.434 -5.726 1.00 72.43 C ATOM 1105 CG1 ILE A 65 12.872 2.081 -5.868 1.00 44.54 C ATOM 1106 CG2 ILE A 65 14.188 3.904 -7.068 1.00 75.00 C ATOM 1107 CD1 ILE A 65 11.784 2.032 -6.944 1.00 15.14 C ATOM 0 H ILE A 65 13.394 2.604 -3.319 1.00 61.42 H new ATOM 0 HA ILE A 65 15.589 2.951 -5.215 1.00 51.52 H new ATOM 0 HB ILE A 65 12.848 4.145 -5.389 1.00 72.43 H new ATOM 0 HG12 ILE A 65 13.611 1.310 -6.087 1.00 44.54 H new ATOM 0 HG13 ILE A 65 12.422 1.828 -4.908 1.00 44.54 H new ATOM 0 HG21 ILE A 65 13.396 3.947 -7.816 1.00 75.00 H new ATOM 0 HG22 ILE A 65 14.626 4.895 -6.947 1.00 75.00 H new ATOM 0 HG23 ILE A 65 14.958 3.204 -7.394 1.00 75.00 H new ATOM 0 HD11 ILE A 65 11.334 1.039 -6.962 1.00 15.14 H new ATOM 0 HD12 ILE A 65 11.017 2.774 -6.720 1.00 15.14 H new ATOM 0 HD13 ILE A 65 12.225 2.248 -7.917 1.00 15.14 H new ATOM 1119 N LYS A 66 14.166 5.629 -3.867 1.00 73.21 N ATOM 1120 CA LYS A 66 14.344 7.036 -3.491 1.00 21.42 C ATOM 1121 C LYS A 66 15.409 7.730 -4.358 1.00 2.42 C ATOM 1122 O LYS A 66 16.171 8.569 -3.883 1.00 33.11 O ATOM 1123 CB LYS A 66 14.548 7.140 -1.964 1.00 14.23 C ATOM 1124 CG LYS A 66 13.857 8.359 -1.314 1.00 2.44 C ATOM 1125 CD LYS A 66 14.750 9.582 -1.053 1.00 13.14 C ATOM 1126 CE LYS A 66 15.755 9.268 0.058 1.00 40.32 C ATOM 1127 NZ LYS A 66 16.657 10.398 0.357 1.00 32.42 N ATOM 0 H LYS A 66 13.183 5.364 -3.922 1.00 73.21 H new ATOM 0 HA LYS A 66 13.439 7.603 -3.709 1.00 21.42 H new ATOM 0 HB2 LYS A 66 14.171 6.231 -1.496 1.00 14.23 H new ATOM 0 HB3 LYS A 66 15.617 7.188 -1.754 1.00 14.23 H new ATOM 0 HG2 LYS A 66 13.031 8.668 -1.955 1.00 2.44 H new ATOM 0 HG3 LYS A 66 13.423 8.042 -0.366 1.00 2.44 H new ATOM 0 HD2 LYS A 66 15.278 9.858 -1.965 1.00 13.14 H new ATOM 0 HD3 LYS A 66 14.136 10.437 -0.769 1.00 13.14 H new ATOM 0 HE2 LYS A 66 15.213 8.993 0.963 1.00 40.32 H new ATOM 0 HE3 LYS A 66 16.350 8.402 -0.232 1.00 40.32 H new ATOM 0 HZ1 LYS A 66 17.314 10.126 1.116 1.00 32.42 H new ATOM 0 HZ2 LYS A 66 17.197 10.646 -0.496 1.00 32.42 H new ATOM 0 HZ3 LYS A 66 16.096 11.219 0.662 1.00 32.42 H new ATOM 1141 N ALA A 67 15.479 7.375 -5.644 1.00 33.35 N ATOM 1142 CA ALA A 67 16.524 7.840 -6.548 1.00 23.01 C ATOM 1143 C ALA A 67 16.364 9.314 -6.947 1.00 41.13 C ATOM 1144 O ALA A 67 17.277 9.875 -7.549 1.00 13.11 O ATOM 1145 CB ALA A 67 16.516 6.956 -7.800 1.00 60.42 C ATOM 0 H ALA A 67 14.804 6.751 -6.087 1.00 33.35 H new ATOM 0 HA ALA A 67 17.476 7.766 -6.022 1.00 23.01 H new ATOM 0 HB1 ALA A 67 17.293 7.291 -8.487 1.00 60.42 H new ATOM 0 HB2 ALA A 67 16.705 5.921 -7.516 1.00 60.42 H new ATOM 0 HB3 ALA A 67 15.544 7.026 -8.289 1.00 60.42 H new ATOM 1151 N GLY A 68 15.208 9.929 -6.682 1.00 23.25 N ATOM 1152 CA GLY A 68 14.722 11.106 -7.393 1.00 44.12 C ATOM 1153 C GLY A 68 13.601 10.655 -8.323 1.00 71.11 C ATOM 1154 O GLY A 68 12.476 11.136 -8.212 1.00 75.23 O ATOM 0 H GLY A 68 14.573 9.612 -5.950 1.00 23.25 H new ATOM 0 HA2 GLY A 68 14.358 11.855 -6.689 1.00 44.12 H new ATOM 0 HA3 GLY A 68 15.528 11.569 -7.962 1.00 44.12 H new ATOM 1158 N ASN A 69 13.886 9.644 -9.150 1.00 75.14 N ATOM 1159 CA ASN A 69 13.044 9.140 -10.231 1.00 1.31 C ATOM 1160 C ASN A 69 12.690 10.279 -11.187 1.00 24.01 C ATOM 1161 O ASN A 69 11.535 10.511 -11.533 1.00 51.40 O ATOM 1162 CB ASN A 69 11.857 8.329 -9.696 1.00 12.45 C ATOM 1163 CG ASN A 69 11.182 7.412 -10.718 1.00 55.24 C ATOM 1164 OD1 ASN A 69 10.056 6.972 -10.486 1.00 72.13 O ATOM 1165 ND2 ASN A 69 11.853 6.967 -11.771 1.00 23.33 N ATOM 0 H ASN A 69 14.763 9.128 -9.075 1.00 75.14 H new ATOM 0 HA ASN A 69 13.597 8.416 -10.829 1.00 1.31 H new ATOM 0 HB2 ASN A 69 12.200 7.722 -8.858 1.00 12.45 H new ATOM 0 HB3 ASN A 69 11.112 9.021 -9.304 1.00 12.45 H new ATOM 0 HD21 ASN A 69 11.436 6.265 -12.382 1.00 23.33 H new ATOM 0 HD22 ASN A 69 12.787 7.327 -11.970 1.00 23.33 H new ATOM 1172 N VAL A 70 13.751 10.984 -11.576 1.00 73.43 N ATOM 1173 CA VAL A 70 13.827 12.010 -12.614 1.00 22.43 C ATOM 1174 C VAL A 70 14.317 11.367 -13.929 1.00 60.43 C ATOM 1175 O VAL A 70 14.845 12.036 -14.820 1.00 34.44 O ATOM 1176 CB VAL A 70 14.690 13.176 -12.070 1.00 15.34 C ATOM 1177 CG1 VAL A 70 16.164 12.790 -11.888 1.00 64.12 C ATOM 1178 CG2 VAL A 70 14.579 14.477 -12.880 1.00 60.31 C ATOM 0 H VAL A 70 14.659 10.839 -11.134 1.00 73.43 H new ATOM 0 HA VAL A 70 12.857 12.442 -12.861 1.00 22.43 H new ATOM 0 HB VAL A 70 14.262 13.379 -11.088 1.00 15.34 H new ATOM 0 HG11 VAL A 70 16.720 13.646 -11.505 1.00 64.12 H new ATOM 0 HG12 VAL A 70 16.239 11.963 -11.182 1.00 64.12 H new ATOM 0 HG13 VAL A 70 16.582 12.487 -12.848 1.00 64.12 H new ATOM 0 HG21 VAL A 70 15.214 15.240 -12.431 1.00 60.31 H new ATOM 0 HG22 VAL A 70 14.900 14.295 -13.906 1.00 60.31 H new ATOM 0 HG23 VAL A 70 13.544 14.819 -12.879 1.00 60.31 H new ATOM 1188 N SER A 71 14.191 10.039 -14.052 1.00 40.53 N ATOM 1189 CA SER A 71 14.150 9.400 -15.357 1.00 64.00 C ATOM 1190 C SER A 71 13.015 10.034 -16.139 1.00 40.52 C ATOM 1191 O SER A 71 13.267 10.441 -17.293 1.00 73.11 O ATOM 1192 CB SER A 71 13.943 7.898 -15.217 1.00 62.24 C ATOM 1193 OG SER A 71 15.066 7.330 -14.559 1.00 33.03 O ATOM 0 H SER A 71 14.117 9.396 -13.263 1.00 40.53 H new ATOM 0 HA SER A 71 15.095 9.542 -15.881 1.00 64.00 H new ATOM 0 HB2 SER A 71 13.034 7.696 -14.650 1.00 62.24 H new ATOM 0 HB3 SER A 71 13.814 7.444 -16.199 1.00 62.24 H new ATOM 0 HG SER A 71 14.936 6.363 -14.465 1.00 33.03 H new TER 1199 SER A 71