USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 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 66 MET CE :methyl 180:sc= -0.0921 (180deg=-0.0921) USER MOD Set 1.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.088 K(o=-0.69,f=-1.5) USER MOD Set 2.2: A 44 HIS : no HD1:sc= -0.598 X(o=-0.69,f=-0.74) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.0659 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.226 K(o=-0.23,f=-3.9!) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00198 USER MOD Single : A 15 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.94) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 123:sc= 0.00405 USER MOD Single : A 27 MET CE :methyl 178:sc= -0.899 (180deg=-0.915) USER MOD Single : A 28 SER OG : rot 77:sc= 0.249 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 136:sc= -0.179 (180deg=-1.01) USER MOD Single : A 32 SER OG : rot 180:sc= 0.206 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 45 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 59:sc= 1.15 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00481) USER MOD Single : A 57 THR OG1 : rot -114:sc= 0.972 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= -0.0356 (180deg=-0.208) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.233 -5.885 13.643 1.00 0.00 N ATOM 2 CA GLY A 1 4.212 -5.300 12.766 1.00 0.00 C ATOM 3 C GLY A 1 4.699 -5.119 11.344 1.00 0.00 C ATOM 4 O GLY A 1 4.285 -5.875 10.460 1.00 0.00 O ATOM 0 H1 GLY A 1 4.848 -5.987 14.604 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.509 -6.819 13.279 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.066 -5.263 13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.330 -5.940 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.905 -4.334 13.166 1.00 0.00 H new ATOM 8 N SER A 2 5.520 -4.097 11.094 1.00 0.00 N ATOM 9 CA SER A 2 6.017 -3.796 9.760 1.00 0.00 C ATOM 10 C SER A 2 6.887 -4.950 9.247 1.00 0.00 C ATOM 11 O SER A 2 7.537 -5.640 10.039 1.00 0.00 O ATOM 12 CB SER A 2 6.821 -2.485 9.818 1.00 0.00 C ATOM 13 OG SER A 2 7.162 -2.015 8.526 1.00 0.00 O ATOM 0 H SER A 2 5.856 -3.458 11.814 1.00 0.00 H new ATOM 0 HA SER A 2 5.183 -3.676 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.238 -1.725 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.730 -2.642 10.398 1.00 0.00 H new ATOM 0 HG SER A 2 7.670 -1.181 8.605 1.00 0.00 H new ATOM 19 N SER A 3 6.985 -5.079 7.927 1.00 0.00 N ATOM 20 CA SER A 3 8.059 -5.778 7.231 1.00 0.00 C ATOM 21 C SER A 3 8.512 -4.948 6.029 1.00 0.00 C ATOM 22 O SER A 3 9.718 -4.841 5.789 1.00 0.00 O ATOM 23 CB SER A 3 7.617 -7.182 6.807 1.00 0.00 C ATOM 24 OG SER A 3 7.513 -8.031 7.929 1.00 0.00 O ATOM 0 H SER A 3 6.293 -4.685 7.290 1.00 0.00 H new ATOM 0 HA SER A 3 8.903 -5.900 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.656 -7.127 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.333 -7.595 6.097 1.00 0.00 H new ATOM 0 HG SER A 3 7.551 -7.496 8.749 1.00 0.00 H new ATOM 30 N GLY A 4 7.592 -4.295 5.318 1.00 0.00 N ATOM 31 CA GLY A 4 7.899 -3.367 4.246 1.00 0.00 C ATOM 32 C GLY A 4 8.240 -4.103 2.958 1.00 0.00 C ATOM 33 O GLY A 4 7.482 -4.030 1.985 1.00 0.00 O ATOM 0 H GLY A 4 6.591 -4.404 5.481 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.047 -2.709 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.737 -2.734 4.539 1.00 0.00 H new ATOM 37 N SER A 5 9.367 -4.810 2.939 1.00 0.00 N ATOM 38 CA SER A 5 9.789 -5.678 1.846 1.00 0.00 C ATOM 39 C SER A 5 9.053 -7.022 1.867 1.00 0.00 C ATOM 40 O SER A 5 8.208 -7.253 2.735 1.00 0.00 O ATOM 41 CB SER A 5 11.315 -5.827 1.907 1.00 0.00 C ATOM 42 OG SER A 5 11.887 -4.543 1.715 1.00 0.00 O ATOM 0 H SER A 5 10.033 -4.793 3.711 1.00 0.00 H new ATOM 0 HA SER A 5 9.521 -5.227 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.620 -6.240 2.868 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.662 -6.518 1.139 1.00 0.00 H new ATOM 0 HG SER A 5 12.864 -4.611 1.751 1.00 0.00 H new ATOM 48 N SER A 6 9.360 -7.878 0.886 1.00 0.00 N ATOM 49 CA SER A 6 8.750 -9.181 0.646 1.00 0.00 C ATOM 50 C SER A 6 7.220 -9.133 0.652 1.00 0.00 C ATOM 51 O SER A 6 6.575 -9.484 1.647 1.00 0.00 O ATOM 52 CB SER A 6 9.333 -10.228 1.603 1.00 0.00 C ATOM 53 OG SER A 6 10.743 -10.269 1.463 1.00 0.00 O ATOM 0 H SER A 6 10.084 -7.663 0.201 1.00 0.00 H new ATOM 0 HA SER A 6 9.007 -9.490 -0.367 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.067 -9.983 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.908 -11.208 1.388 1.00 0.00 H new ATOM 0 HG SER A 6 11.113 -10.937 2.077 1.00 0.00 H new ATOM 59 N GLY A 7 6.643 -8.734 -0.485 1.00 0.00 N ATOM 60 CA GLY A 7 5.211 -8.838 -0.730 1.00 0.00 C ATOM 61 C GLY A 7 4.870 -10.231 -1.262 1.00 0.00 C ATOM 62 O GLY A 7 4.701 -11.162 -0.475 1.00 0.00 O ATOM 0 H GLY A 7 7.164 -8.328 -1.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.661 -8.647 0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.901 -8.079 -1.449 1.00 0.00 H new ATOM 66 N ARG A 8 4.814 -10.355 -2.594 1.00 0.00 N ATOM 67 CA ARG A 8 4.491 -11.537 -3.403 1.00 0.00 C ATOM 68 C ARG A 8 3.613 -12.574 -2.700 1.00 0.00 C ATOM 69 O ARG A 8 4.080 -13.598 -2.192 1.00 0.00 O ATOM 70 CB ARG A 8 5.753 -12.144 -4.057 1.00 0.00 C ATOM 71 CG ARG A 8 5.859 -11.780 -5.546 1.00 0.00 C ATOM 72 CD ARG A 8 4.749 -12.418 -6.397 1.00 0.00 C ATOM 73 NE ARG A 8 4.834 -11.987 -7.798 1.00 0.00 N ATOM 74 CZ ARG A 8 5.496 -12.596 -8.786 1.00 0.00 C ATOM 75 NH1 ARG A 8 6.230 -13.680 -8.571 1.00 0.00 N ATOM 76 NH2 ARG A 8 5.418 -12.083 -10.003 1.00 0.00 N ATOM 0 H ARG A 8 5.013 -9.552 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 8 3.855 -11.172 -4.210 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.640 -11.789 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.732 -13.228 -3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.816 -10.696 -5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 8 6.830 -12.099 -5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 8 4.826 -13.504 -6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.775 -12.147 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 8 4.335 -11.132 -8.043 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.300 -14.070 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.724 -14.123 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.863 -11.243 -10.168 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.913 -12.527 -10.776 1.00 0.00 H new ATOM 90 N GLY A 9 2.308 -12.333 -2.752 1.00 0.00 N ATOM 91 CA GLY A 9 1.289 -13.194 -2.197 1.00 0.00 C ATOM 92 C GLY A 9 1.347 -13.107 -0.687 1.00 0.00 C ATOM 93 O GLY A 9 0.899 -12.106 -0.121 1.00 0.00 O ATOM 0 H GLY A 9 1.924 -11.501 -3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.304 -12.893 -2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.446 -14.223 -2.522 1.00 0.00 H new ATOM 97 N ARG A 10 1.885 -14.154 -0.053 1.00 0.00 N ATOM 98 CA ARG A 10 1.851 -14.470 1.374 1.00 0.00 C ATOM 99 C ARG A 10 0.424 -14.663 1.883 1.00 0.00 C ATOM 100 O ARG A 10 0.124 -15.730 2.416 1.00 0.00 O ATOM 101 CB ARG A 10 2.674 -13.444 2.175 1.00 0.00 C ATOM 102 CG ARG A 10 3.025 -13.867 3.611 1.00 0.00 C ATOM 103 CD ARG A 10 3.935 -15.103 3.691 1.00 0.00 C ATOM 104 NE ARG A 10 3.175 -16.363 3.713 1.00 0.00 N ATOM 105 CZ ARG A 10 3.694 -17.593 3.822 1.00 0.00 C ATOM 106 NH1 ARG A 10 5.005 -17.775 3.937 1.00 0.00 N ATOM 107 NH2 ARG A 10 2.884 -18.642 3.831 1.00 0.00 N ATOM 0 H ARG A 10 2.401 -14.863 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 10 2.332 -15.435 1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.600 -13.243 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.118 -12.507 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.515 -13.034 4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.103 -14.071 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.613 -15.107 2.838 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.551 -15.039 4.588 1.00 0.00 H new ATOM 0 HE ARG A 10 2.160 -16.293 3.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.633 -16.971 3.943 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.384 -18.719 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.876 -18.508 3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.269 -19.583 3.914 1.00 0.00 H new ATOM 121 N TYR A 11 -0.451 -13.682 1.675 1.00 0.00 N ATOM 122 CA TYR A 11 -1.890 -13.733 1.849 1.00 0.00 C ATOM 123 C TYR A 11 -2.492 -12.826 0.767 1.00 0.00 C ATOM 124 O TYR A 11 -2.335 -11.605 0.842 1.00 0.00 O ATOM 125 CB TYR A 11 -2.268 -13.208 3.234 1.00 0.00 C ATOM 126 CG TYR A 11 -1.604 -13.866 4.420 1.00 0.00 C ATOM 127 CD1 TYR A 11 -2.133 -15.064 4.917 1.00 0.00 C ATOM 128 CD2 TYR A 11 -0.505 -13.262 5.061 1.00 0.00 C ATOM 129 CE1 TYR A 11 -1.593 -15.648 6.069 1.00 0.00 C ATOM 130 CE2 TYR A 11 0.049 -13.851 6.211 1.00 0.00 C ATOM 131 CZ TYR A 11 -0.508 -15.035 6.742 1.00 0.00 C ATOM 132 OH TYR A 11 0.001 -15.569 7.885 1.00 0.00 O ATOM 0 H TYR A 11 -0.143 -12.763 1.356 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.261 -14.754 1.764 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.041 -12.142 3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.347 -13.307 3.351 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.960 -15.539 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.088 -12.346 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.006 -16.572 6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.904 -13.396 6.690 1.00 0.00 H new ATOM 0 HH TYR A 11 0.742 -15.013 8.204 1.00 0.00 H new ATOM 142 N ARG A 12 -3.116 -13.380 -0.277 1.00 0.00 N ATOM 143 CA ARG A 12 -3.703 -12.590 -1.367 1.00 0.00 C ATOM 144 C ARG A 12 -4.940 -11.843 -0.857 1.00 0.00 C ATOM 145 O ARG A 12 -6.058 -12.346 -0.970 1.00 0.00 O ATOM 146 CB ARG A 12 -3.975 -13.504 -2.578 1.00 0.00 C ATOM 147 CG ARG A 12 -4.479 -12.823 -3.868 1.00 0.00 C ATOM 148 CD ARG A 12 -6.002 -12.618 -3.904 1.00 0.00 C ATOM 149 NE ARG A 12 -6.575 -12.835 -5.241 1.00 0.00 N ATOM 150 CZ ARG A 12 -7.284 -13.894 -5.658 1.00 0.00 C ATOM 151 NH1 ARG A 12 -7.490 -14.957 -4.883 1.00 0.00 N ATOM 152 NH2 ARG A 12 -7.805 -13.886 -6.876 1.00 0.00 N ATOM 0 H ARG A 12 -3.229 -14.387 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.008 -11.824 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.054 -14.038 -2.814 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.710 -14.252 -2.280 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.988 -11.855 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.182 -13.426 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.473 -13.301 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.236 -11.606 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.415 -12.098 -5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.103 -14.983 -3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.035 -15.745 -5.233 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.665 -13.080 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.346 -14.686 -7.204 1.00 0.00 H new ATOM 166 N GLN A 13 -4.757 -10.641 -0.315 1.00 0.00 N ATOM 167 CA GLN A 13 -5.838 -9.735 0.056 1.00 0.00 C ATOM 168 C GLN A 13 -6.035 -8.755 -1.092 1.00 0.00 C ATOM 169 O GLN A 13 -6.962 -8.915 -1.889 1.00 0.00 O ATOM 170 CB GLN A 13 -5.570 -9.057 1.412 1.00 0.00 C ATOM 171 CG GLN A 13 -6.176 -9.816 2.605 1.00 0.00 C ATOM 172 CD GLN A 13 -5.513 -11.157 2.895 1.00 0.00 C ATOM 173 OE1 GLN A 13 -4.547 -11.225 3.651 1.00 0.00 O ATOM 174 NE2 GLN A 13 -6.006 -12.244 2.319 1.00 0.00 N ATOM 0 H GLN A 13 -3.831 -10.262 -0.118 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.768 -10.283 0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.494 -8.966 1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.976 -8.045 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.105 -9.189 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.236 -9.981 2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.809 -12.171 1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.583 -13.154 2.501 1.00 0.00 H new ATOM 183 N TYR A 14 -5.142 -7.780 -1.192 1.00 0.00 N ATOM 184 CA TYR A 14 -5.208 -6.675 -2.131 1.00 0.00 C ATOM 185 C TYR A 14 -4.285 -6.949 -3.316 1.00 0.00 C ATOM 186 O TYR A 14 -3.213 -7.538 -3.146 1.00 0.00 O ATOM 187 CB TYR A 14 -4.828 -5.386 -1.394 1.00 0.00 C ATOM 188 CG TYR A 14 -3.504 -5.453 -0.659 1.00 0.00 C ATOM 189 CD1 TYR A 14 -3.422 -5.999 0.636 1.00 0.00 C ATOM 190 CD2 TYR A 14 -2.345 -4.987 -1.296 1.00 0.00 C ATOM 191 CE1 TYR A 14 -2.167 -6.166 1.241 1.00 0.00 C ATOM 192 CE2 TYR A 14 -1.089 -5.111 -0.680 1.00 0.00 C ATOM 193 CZ TYR A 14 -0.995 -5.739 0.585 1.00 0.00 C ATOM 194 OH TYR A 14 0.198 -5.952 1.198 1.00 0.00 O ATOM 0 H TYR A 14 -4.317 -7.738 -0.594 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.218 -6.563 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.789 -4.568 -2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.615 -5.145 -0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.320 -6.288 1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.419 -4.528 -2.271 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.099 -6.625 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.203 -4.731 -1.167 1.00 0.00 H new ATOM 0 HH TYR A 14 0.922 -5.609 0.633 1.00 0.00 H new ATOM 204 N ASN A 15 -4.693 -6.508 -4.507 1.00 0.00 N ATOM 205 CA ASN A 15 -3.822 -6.469 -5.682 1.00 0.00 C ATOM 206 C ASN A 15 -2.663 -5.505 -5.443 1.00 0.00 C ATOM 207 O ASN A 15 -2.782 -4.571 -4.648 1.00 0.00 O ATOM 208 CB ASN A 15 -4.605 -6.042 -6.939 1.00 0.00 C ATOM 209 CG ASN A 15 -5.219 -7.230 -7.662 1.00 0.00 C ATOM 210 OD1 ASN A 15 -4.599 -8.283 -7.783 1.00 0.00 O ATOM 211 ND2 ASN A 15 -6.423 -7.095 -8.167 1.00 0.00 N ATOM 0 H ASN A 15 -5.638 -6.167 -4.684 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.430 -7.473 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.393 -5.344 -6.655 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.938 -5.510 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.856 -7.871 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.926 -6.214 -8.058 1.00 0.00 H new ATOM 218 N SER A 16 -1.565 -5.666 -6.186 1.00 0.00 N ATOM 219 CA SER A 16 -0.414 -4.768 -6.090 1.00 0.00 C ATOM 220 C SER A 16 -0.802 -3.307 -6.324 1.00 0.00 C ATOM 221 O SER A 16 -0.176 -2.411 -5.761 1.00 0.00 O ATOM 222 CB SER A 16 0.664 -5.179 -7.101 1.00 0.00 C ATOM 223 OG SER A 16 1.047 -6.534 -6.926 1.00 0.00 O ATOM 0 H SER A 16 -1.450 -6.417 -6.866 1.00 0.00 H new ATOM 0 HA SER A 16 -0.024 -4.853 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.290 -5.033 -8.114 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.536 -4.535 -6.988 1.00 0.00 H new ATOM 0 HG SER A 16 1.734 -6.768 -7.585 1.00 0.00 H new ATOM 229 N GLU A 17 -1.825 -3.072 -7.143 1.00 0.00 N ATOM 230 CA GLU A 17 -2.287 -1.742 -7.496 1.00 0.00 C ATOM 231 C GLU A 17 -3.324 -1.230 -6.501 1.00 0.00 C ATOM 232 O GLU A 17 -3.281 -0.052 -6.185 1.00 0.00 O ATOM 233 CB GLU A 17 -2.844 -1.780 -8.912 1.00 0.00 C ATOM 234 CG GLU A 17 -1.728 -2.109 -9.915 1.00 0.00 C ATOM 235 CD GLU A 17 -2.251 -2.120 -11.344 1.00 0.00 C ATOM 236 OE1 GLU A 17 -3.277 -2.800 -11.587 1.00 0.00 O ATOM 237 OE2 GLU A 17 -1.609 -1.469 -12.195 1.00 0.00 O ATOM 0 H GLU A 17 -2.362 -3.818 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.450 -1.045 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.635 -2.527 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.293 -0.818 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.927 -1.375 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.297 -3.081 -9.676 1.00 0.00 H new ATOM 244 N ILE A 18 -4.169 -2.095 -5.921 1.00 0.00 N ATOM 245 CA ILE A 18 -5.101 -1.725 -4.845 1.00 0.00 C ATOM 246 C ILE A 18 -4.333 -1.059 -3.700 1.00 0.00 C ATOM 247 O ILE A 18 -4.832 -0.137 -3.056 1.00 0.00 O ATOM 248 CB ILE A 18 -5.851 -2.985 -4.350 1.00 0.00 C ATOM 249 CG1 ILE A 18 -6.901 -3.474 -5.370 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.512 -2.800 -2.975 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.268 -2.801 -5.205 1.00 0.00 C ATOM 0 H ILE A 18 -4.225 -3.078 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.835 -1.014 -5.224 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.079 -3.747 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.532 -3.288 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.021 -4.553 -5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.020 -3.721 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.749 -2.561 -2.234 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.236 -1.987 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.958 -3.191 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.658 -3.009 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.162 -1.724 -5.336 1.00 0.00 H new ATOM 263 N LEU A 19 -3.123 -1.549 -3.429 1.00 0.00 N ATOM 264 CA LEU A 19 -2.246 -0.943 -2.447 1.00 0.00 C ATOM 265 C LEU A 19 -1.952 0.518 -2.805 1.00 0.00 C ATOM 266 O LEU A 19 -1.974 1.366 -1.922 1.00 0.00 O ATOM 267 CB LEU A 19 -0.974 -1.797 -2.323 1.00 0.00 C ATOM 268 CG LEU A 19 0.111 -1.154 -1.454 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.391 -0.992 -0.017 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.345 -2.055 -1.475 1.00 0.00 C ATOM 0 H LEU A 19 -2.732 -2.373 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.732 -0.919 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.237 -2.768 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.570 -1.980 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 19 0.361 -0.167 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.389 -0.534 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.277 -0.357 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.643 -1.970 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.129 -1.612 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.085 -3.037 -1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.702 -2.159 -2.500 1.00 0.00 H new ATOM 282 N GLU A 20 -1.662 0.802 -4.073 1.00 0.00 N ATOM 283 CA GLU A 20 -1.348 2.127 -4.581 1.00 0.00 C ATOM 284 C GLU A 20 -2.584 3.031 -4.526 1.00 0.00 C ATOM 285 O GLU A 20 -2.452 4.203 -4.189 1.00 0.00 O ATOM 286 CB GLU A 20 -0.722 1.974 -5.984 1.00 0.00 C ATOM 287 CG GLU A 20 -1.386 2.725 -7.149 1.00 0.00 C ATOM 288 CD GLU A 20 -1.114 4.235 -7.156 1.00 0.00 C ATOM 289 OE1 GLU A 20 0.013 4.671 -6.819 1.00 0.00 O ATOM 290 OE2 GLU A 20 -1.951 5.019 -7.649 1.00 0.00 O ATOM 0 H GLU A 20 -1.640 0.085 -4.799 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.610 2.630 -3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.317 2.298 -5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.711 0.913 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.035 2.299 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.463 2.561 -7.107 1.00 0.00 H new ATOM 297 N GLU A 21 -3.781 2.501 -4.783 1.00 0.00 N ATOM 298 CA GLU A 21 -5.039 3.208 -4.647 1.00 0.00 C ATOM 299 C GLU A 21 -5.204 3.753 -3.235 1.00 0.00 C ATOM 300 O GLU A 21 -5.431 4.946 -3.038 1.00 0.00 O ATOM 301 CB GLU A 21 -6.183 2.271 -4.946 1.00 0.00 C ATOM 302 CG GLU A 21 -6.273 1.594 -6.302 1.00 0.00 C ATOM 303 CD GLU A 21 -6.549 2.578 -7.434 1.00 0.00 C ATOM 304 OE1 GLU A 21 -7.577 3.297 -7.407 1.00 0.00 O ATOM 305 OE2 GLU A 21 -5.733 2.648 -8.380 1.00 0.00 O ATOM 0 H GLU A 21 -3.897 1.539 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.040 4.040 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.164 1.485 -4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.107 2.830 -4.801 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.340 1.067 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.063 0.844 -6.277 1.00 0.00 H new ATOM 312 N ALA A 22 -5.103 2.851 -2.260 1.00 0.00 N ATOM 313 CA ALA A 22 -5.211 3.145 -0.833 1.00 0.00 C ATOM 314 C ALA A 22 -4.064 4.020 -0.332 1.00 0.00 C ATOM 315 O ALA A 22 -4.161 4.570 0.764 1.00 0.00 O ATOM 316 CB ALA A 22 -5.200 1.820 -0.074 1.00 0.00 C ATOM 0 H ALA A 22 -4.938 1.862 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.136 3.696 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.280 2.013 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.043 1.209 -0.396 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.269 1.291 -0.279 1.00 0.00 H new ATOM 322 N ILE A 23 -2.986 4.152 -1.102 1.00 0.00 N ATOM 323 CA ILE A 23 -1.932 5.115 -0.820 1.00 0.00 C ATOM 324 C ILE A 23 -2.391 6.470 -1.358 1.00 0.00 C ATOM 325 O ILE A 23 -2.467 7.417 -0.576 1.00 0.00 O ATOM 326 CB ILE A 23 -0.601 4.572 -1.373 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.075 3.514 -0.382 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.476 5.636 -1.627 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.890 2.545 -1.057 1.00 0.00 C ATOM 0 H ILE A 23 -2.822 3.592 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.744 5.265 0.243 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.811 4.149 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.428 4.010 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.914 2.959 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.375 5.158 -2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.108 6.360 -2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.711 6.146 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.240 1.814 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.379 2.030 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.741 3.097 -1.455 1.00 0.00 H new ATOM 341 N SER A 24 -2.770 6.554 -2.636 1.00 0.00 N ATOM 342 CA SER A 24 -3.290 7.759 -3.278 1.00 0.00 C ATOM 343 C SER A 24 -4.323 8.497 -2.421 1.00 0.00 C ATOM 344 O SER A 24 -4.147 9.696 -2.206 1.00 0.00 O ATOM 345 CB SER A 24 -3.863 7.419 -4.661 1.00 0.00 C ATOM 346 OG SER A 24 -2.835 7.449 -5.628 1.00 0.00 O ATOM 0 H SER A 24 -2.721 5.757 -3.271 1.00 0.00 H new ATOM 0 HA SER A 24 -2.451 8.444 -3.397 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.326 6.432 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.644 8.132 -4.926 1.00 0.00 H new ATOM 0 HG SER A 24 -2.791 6.584 -6.086 1.00 0.00 H new ATOM 352 N VAL A 25 -5.359 7.819 -1.913 1.00 0.00 N ATOM 353 CA VAL A 25 -6.370 8.447 -1.061 1.00 0.00 C ATOM 354 C VAL A 25 -5.708 9.165 0.122 1.00 0.00 C ATOM 355 O VAL A 25 -5.913 10.356 0.326 1.00 0.00 O ATOM 356 CB VAL A 25 -7.442 7.421 -0.611 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.638 7.423 -1.561 1.00 0.00 C ATOM 358 CG2 VAL A 25 -6.933 6.023 -0.387 1.00 0.00 C ATOM 0 H VAL A 25 -5.518 6.826 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.894 9.204 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.760 7.764 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.374 6.694 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.090 8.415 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.305 7.161 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.757 5.381 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.504 5.639 -1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.168 6.034 0.390 1.00 0.00 H new ATOM 368 N VAL A 26 -4.921 8.455 0.914 1.00 0.00 N ATOM 369 CA VAL A 26 -4.241 8.954 2.102 1.00 0.00 C ATOM 370 C VAL A 26 -3.317 10.119 1.738 1.00 0.00 C ATOM 371 O VAL A 26 -3.341 11.139 2.422 1.00 0.00 O ATOM 372 CB VAL A 26 -3.502 7.791 2.796 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.767 8.235 4.068 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.488 6.683 3.202 1.00 0.00 C ATOM 0 H VAL A 26 -4.729 7.469 0.739 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.967 9.349 2.813 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.777 7.426 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.264 7.378 4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.029 8.997 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.484 8.647 4.778 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.945 5.873 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.229 7.089 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.990 6.300 2.314 1.00 0.00 H new ATOM 384 N MET A 27 -2.542 10.007 0.656 1.00 0.00 N ATOM 385 CA MET A 27 -1.642 11.064 0.210 1.00 0.00 C ATOM 386 C MET A 27 -2.417 12.343 -0.084 1.00 0.00 C ATOM 387 O MET A 27 -2.054 13.404 0.416 1.00 0.00 O ATOM 388 CB MET A 27 -0.881 10.629 -1.039 1.00 0.00 C ATOM 389 CG MET A 27 0.113 9.514 -0.740 1.00 0.00 C ATOM 390 SD MET A 27 0.957 9.004 -2.245 1.00 0.00 S ATOM 391 CE MET A 27 2.553 8.585 -1.528 1.00 0.00 C ATOM 0 H MET A 27 -2.524 9.176 0.065 1.00 0.00 H new ATOM 0 HA MET A 27 -0.930 11.258 1.012 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.589 10.291 -1.796 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.351 11.485 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.842 9.856 -0.005 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.407 8.663 -0.301 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.215 8.208 -2.308 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.994 9.474 -1.076 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.419 7.819 -0.765 1.00 0.00 H new ATOM 401 N SER A 28 -3.516 12.251 -0.832 1.00 0.00 N ATOM 402 CA SER A 28 -4.377 13.392 -1.110 1.00 0.00 C ATOM 403 C SER A 28 -5.152 13.871 0.126 1.00 0.00 C ATOM 404 O SER A 28 -5.936 14.816 0.015 1.00 0.00 O ATOM 405 CB SER A 28 -5.365 13.010 -2.208 1.00 0.00 C ATOM 406 OG SER A 28 -4.723 12.487 -3.350 1.00 0.00 O ATOM 0 H SER A 28 -3.832 11.381 -1.261 1.00 0.00 H new ATOM 0 HA SER A 28 -3.737 14.216 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.068 12.273 -1.820 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.947 13.887 -2.491 1.00 0.00 H new ATOM 0 HG SER A 28 -4.449 11.562 -3.177 1.00 0.00 H new ATOM 412 N GLY A 29 -5.009 13.220 1.285 1.00 0.00 N ATOM 413 CA GLY A 29 -5.751 13.552 2.486 1.00 0.00 C ATOM 414 C GLY A 29 -7.228 13.206 2.343 1.00 0.00 C ATOM 415 O GLY A 29 -8.076 13.906 2.902 1.00 0.00 O ATOM 0 H GLY A 29 -4.364 12.439 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.331 13.013 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.644 14.616 2.699 1.00 0.00 H new ATOM 419 N LYS A 30 -7.575 12.178 1.556 1.00 0.00 N ATOM 420 CA LYS A 30 -8.955 11.709 1.462 1.00 0.00 C ATOM 421 C LYS A 30 -9.350 11.077 2.786 1.00 0.00 C ATOM 422 O LYS A 30 -10.484 11.234 3.236 1.00 0.00 O ATOM 423 CB LYS A 30 -9.102 10.694 0.315 1.00 0.00 C ATOM 424 CG LYS A 30 -8.782 11.249 -1.084 1.00 0.00 C ATOM 425 CD LYS A 30 -9.330 12.647 -1.381 1.00 0.00 C ATOM 426 CE LYS A 30 -9.154 12.962 -2.870 1.00 0.00 C ATOM 427 NZ LYS A 30 -9.948 14.135 -3.276 1.00 0.00 N ATOM 0 H LYS A 30 -6.915 11.659 0.977 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.613 12.552 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.446 9.846 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.123 10.313 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.699 11.268 -1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.176 10.558 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.384 12.701 -1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.807 13.389 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.100 13.145 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.453 12.097 -3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.804 14.318 -4.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.956 13.951 -3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.646 14.966 -2.728 1.00 0.00 H new ATOM 441 N MET A 31 -8.426 10.357 3.419 1.00 0.00 N ATOM 442 CA MET A 31 -8.671 9.623 4.643 1.00 0.00 C ATOM 443 C MET A 31 -7.355 9.359 5.372 1.00 0.00 C ATOM 444 O MET A 31 -6.287 9.601 4.815 1.00 0.00 O ATOM 445 CB MET A 31 -9.367 8.307 4.297 1.00 0.00 C ATOM 446 CG MET A 31 -8.589 7.375 3.381 1.00 0.00 C ATOM 447 SD MET A 31 -9.566 6.043 2.622 1.00 0.00 S ATOM 448 CE MET A 31 -10.845 6.905 1.710 1.00 0.00 C ATOM 0 H MET A 31 -7.467 10.271 3.082 1.00 0.00 H new ATOM 0 HA MET A 31 -9.310 10.209 5.303 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.586 7.777 5.224 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.324 8.535 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.134 7.968 2.587 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.775 6.927 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 31 -10.959 6.450 0.726 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.788 6.837 2.253 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.567 7.953 1.595 1.00 0.00 H new ATOM 458 N SER A 32 -7.434 8.821 6.591 1.00 0.00 N ATOM 459 CA SER A 32 -6.272 8.375 7.346 1.00 0.00 C ATOM 460 C SER A 32 -5.760 7.035 6.813 1.00 0.00 C ATOM 461 O SER A 32 -6.482 6.326 6.102 1.00 0.00 O ATOM 462 CB SER A 32 -6.670 8.268 8.824 1.00 0.00 C ATOM 463 OG SER A 32 -7.909 7.600 9.000 1.00 0.00 O ATOM 0 H SER A 32 -8.317 8.683 7.082 1.00 0.00 H new ATOM 0 HA SER A 32 -5.459 9.093 7.238 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.892 7.735 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.734 9.267 9.254 1.00 0.00 H new ATOM 0 HG SER A 32 -8.122 7.553 9.955 1.00 0.00 H new ATOM 469 N VAL A 33 -4.548 6.657 7.235 1.00 0.00 N ATOM 470 CA VAL A 33 -4.000 5.311 7.091 1.00 0.00 C ATOM 471 C VAL A 33 -5.022 4.324 7.671 1.00 0.00 C ATOM 472 O VAL A 33 -5.456 3.429 6.954 1.00 0.00 O ATOM 473 CB VAL A 33 -2.598 5.242 7.753 1.00 0.00 C ATOM 474 CG1 VAL A 33 -1.954 3.846 7.807 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.587 6.132 7.008 1.00 0.00 C ATOM 0 H VAL A 33 -3.906 7.300 7.699 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.841 5.040 6.047 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.798 5.573 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.979 3.914 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.594 3.172 8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.833 3.462 6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.614 6.063 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.500 5.797 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.930 7.167 7.027 1.00 0.00 H new ATOM 485 N SER A 34 -5.464 4.510 8.920 1.00 0.00 N ATOM 486 CA SER A 34 -6.448 3.663 9.589 1.00 0.00 C ATOM 487 C SER A 34 -7.718 3.488 8.753 1.00 0.00 C ATOM 488 O SER A 34 -8.204 2.364 8.593 1.00 0.00 O ATOM 489 CB SER A 34 -6.758 4.270 10.964 1.00 0.00 C ATOM 490 OG SER A 34 -7.650 3.477 11.721 1.00 0.00 O ATOM 0 H SER A 34 -5.135 5.277 9.507 1.00 0.00 H new ATOM 0 HA SER A 34 -6.032 2.663 9.715 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.829 4.395 11.519 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.186 5.264 10.830 1.00 0.00 H new ATOM 0 HG SER A 34 -7.814 3.905 12.587 1.00 0.00 H new ATOM 496 N LYS A 35 -8.275 4.581 8.227 1.00 0.00 N ATOM 497 CA LYS A 35 -9.467 4.533 7.395 1.00 0.00 C ATOM 498 C LYS A 35 -9.204 3.685 6.154 1.00 0.00 C ATOM 499 O LYS A 35 -9.765 2.595 6.061 1.00 0.00 O ATOM 500 CB LYS A 35 -9.958 5.947 7.133 1.00 0.00 C ATOM 501 CG LYS A 35 -11.108 5.972 6.117 1.00 0.00 C ATOM 502 CD LYS A 35 -12.054 7.138 6.369 1.00 0.00 C ATOM 503 CE LYS A 35 -12.886 7.454 5.122 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.899 8.497 5.359 1.00 0.00 N ATOM 0 H LYS A 35 -7.908 5.522 8.369 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.290 4.031 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.290 6.396 8.069 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.133 6.556 6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.701 6.044 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.662 5.035 6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.717 6.899 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.481 8.018 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.222 7.775 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.381 6.545 4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.431 8.670 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.552 8.183 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.429 9.376 5.657 1.00 0.00 H new ATOM 518 N ALA A 36 -8.381 4.145 5.207 1.00 0.00 N ATOM 519 CA ALA A 36 -8.102 3.411 3.979 1.00 0.00 C ATOM 520 C ALA A 36 -7.673 1.963 4.199 1.00 0.00 C ATOM 521 O ALA A 36 -8.118 1.112 3.437 1.00 0.00 O ATOM 522 CB ALA A 36 -6.994 4.122 3.188 1.00 0.00 C ATOM 0 H ALA A 36 -7.892 5.037 5.275 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.044 3.390 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.789 3.569 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.317 5.133 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.088 4.169 3.793 1.00 0.00 H new ATOM 528 N GLN A 37 -6.879 1.648 5.226 1.00 0.00 N ATOM 529 CA GLN A 37 -6.585 0.279 5.622 1.00 0.00 C ATOM 530 C GLN A 37 -7.887 -0.515 5.654 1.00 0.00 C ATOM 531 O GLN A 37 -8.007 -1.541 4.985 1.00 0.00 O ATOM 532 CB GLN A 37 -5.849 0.305 6.978 1.00 0.00 C ATOM 533 CG GLN A 37 -6.043 -0.942 7.866 1.00 0.00 C ATOM 534 CD GLN A 37 -6.654 -0.673 9.236 1.00 0.00 C ATOM 535 OE1 GLN A 37 -6.223 0.211 9.972 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.638 -1.465 9.626 1.00 0.00 N ATOM 0 H GLN A 37 -6.420 2.348 5.809 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.927 -0.218 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.783 0.433 6.790 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.182 1.181 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.678 -1.651 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.075 -1.423 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.984 -2.194 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.052 -1.347 10.551 1.00 0.00 H new ATOM 545 N SER A 38 -8.858 -0.045 6.430 1.00 0.00 N ATOM 546 CA SER A 38 -10.085 -0.769 6.652 1.00 0.00 C ATOM 547 C SER A 38 -10.936 -0.783 5.366 1.00 0.00 C ATOM 548 O SER A 38 -11.614 -1.777 5.099 1.00 0.00 O ATOM 549 CB SER A 38 -10.793 -0.101 7.837 1.00 0.00 C ATOM 550 OG SER A 38 -11.660 -0.973 8.537 1.00 0.00 O ATOM 0 H SER A 38 -8.808 0.849 6.918 1.00 0.00 H new ATOM 0 HA SER A 38 -9.902 -1.816 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.044 0.286 8.527 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.364 0.754 7.475 1.00 0.00 H new ATOM 0 HG SER A 38 -12.079 -0.491 9.280 1.00 0.00 H new ATOM 556 N ILE A 39 -10.901 0.286 4.555 1.00 0.00 N ATOM 557 CA ILE A 39 -11.671 0.406 3.312 1.00 0.00 C ATOM 558 C ILE A 39 -11.166 -0.590 2.265 1.00 0.00 C ATOM 559 O ILE A 39 -11.933 -1.406 1.756 1.00 0.00 O ATOM 560 CB ILE A 39 -11.710 1.865 2.786 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.391 2.738 3.859 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.434 1.957 1.426 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.801 4.137 3.418 1.00 0.00 C ATOM 0 H ILE A 39 -10.325 1.105 4.751 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.707 0.146 3.531 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.696 2.225 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.279 2.215 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.714 2.830 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.443 2.993 1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.913 1.341 0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.459 1.602 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.269 4.659 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.919 4.689 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.509 4.065 2.592 1.00 0.00 H new ATOM 575 N TYR A 40 -9.889 -0.476 1.915 1.00 0.00 N ATOM 576 CA TYR A 40 -9.221 -1.196 0.839 1.00 0.00 C ATOM 577 C TYR A 40 -8.761 -2.588 1.291 1.00 0.00 C ATOM 578 O TYR A 40 -8.402 -3.429 0.466 1.00 0.00 O ATOM 579 CB TYR A 40 -8.033 -0.339 0.391 1.00 0.00 C ATOM 580 CG TYR A 40 -8.402 0.923 -0.369 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.786 2.089 0.327 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.232 0.979 -1.762 1.00 0.00 C ATOM 583 CE1 TYR A 40 -9.034 3.296 -0.351 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.443 2.185 -2.438 1.00 0.00 C ATOM 585 CZ TYR A 40 -8.857 3.338 -1.749 1.00 0.00 C ATOM 586 OH TYR A 40 -9.034 4.494 -2.434 1.00 0.00 O ATOM 0 H TYR A 40 -9.257 0.158 2.404 1.00 0.00 H new ATOM 0 HA TYR A 40 -9.911 -1.360 0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.454 -0.059 1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.383 -0.947 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.892 2.054 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.940 0.095 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.354 4.175 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.285 2.231 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.869 4.338 -3.387 1.00 0.00 H new ATOM 596 N GLY A 41 -8.777 -2.844 2.600 1.00 0.00 N ATOM 597 CA GLY A 41 -8.459 -4.126 3.201 1.00 0.00 C ATOM 598 C GLY A 41 -6.954 -4.343 3.220 1.00 0.00 C ATOM 599 O GLY A 41 -6.493 -5.462 2.981 1.00 0.00 O ATOM 0 H GLY A 41 -9.022 -2.134 3.290 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.852 -4.166 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.941 -4.927 2.641 1.00 0.00 H new ATOM 603 N ILE A 42 -6.194 -3.275 3.442 1.00 0.00 N ATOM 604 CA ILE A 42 -4.741 -3.296 3.477 1.00 0.00 C ATOM 605 C ILE A 42 -4.330 -3.380 4.943 1.00 0.00 C ATOM 606 O ILE A 42 -4.917 -2.659 5.745 1.00 0.00 O ATOM 607 CB ILE A 42 -4.166 -2.016 2.832 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.882 -1.580 1.554 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.663 -2.220 2.589 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.846 -2.605 0.436 1.00 0.00 C ATOM 0 H ILE A 42 -6.585 -2.348 3.607 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.355 -4.147 2.916 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.333 -1.196 3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.922 -1.357 1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.431 -0.654 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.243 -1.323 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.164 -2.412 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.514 -3.069 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.377 -2.215 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.811 -2.812 0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.325 -3.525 0.771 1.00 0.00 H new ATOM 622 N PRO A 43 -3.325 -4.186 5.321 1.00 0.00 N ATOM 623 CA PRO A 43 -2.826 -4.162 6.678 1.00 0.00 C ATOM 624 C PRO A 43 -2.239 -2.792 6.985 1.00 0.00 C ATOM 625 O PRO A 43 -1.378 -2.325 6.239 1.00 0.00 O ATOM 626 CB PRO A 43 -1.772 -5.266 6.764 1.00 0.00 C ATOM 627 CG PRO A 43 -1.517 -5.766 5.345 1.00 0.00 C ATOM 628 CD PRO A 43 -2.582 -5.104 4.477 1.00 0.00 C ATOM 0 HA PRO A 43 -3.613 -4.336 7.412 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.852 -4.885 7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.120 -6.080 7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.515 -5.497 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.590 -6.852 5.294 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.122 -4.572 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.247 -5.854 4.048 1.00 0.00 H new ATOM 636 N HIS A 44 -2.654 -2.179 8.096 1.00 0.00 N ATOM 637 CA HIS A 44 -2.150 -0.888 8.554 1.00 0.00 C ATOM 638 C HIS A 44 -0.622 -0.897 8.601 1.00 0.00 C ATOM 639 O HIS A 44 0.019 0.044 8.134 1.00 0.00 O ATOM 640 CB HIS A 44 -2.723 -0.576 9.944 1.00 0.00 C ATOM 641 CG HIS A 44 -2.481 0.838 10.407 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.452 1.787 10.611 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.278 1.392 10.753 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.847 2.894 11.072 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.516 2.705 11.180 1.00 0.00 N ATOM 0 H HIS A 44 -3.363 -2.576 8.712 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.466 -0.115 7.854 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.797 -0.765 9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.286 -1.264 10.668 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.316 0.904 10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.358 3.812 11.323 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.824 3.380 11.506 1.00 0.00 H new ATOM 653 N SER A 45 -0.043 -1.973 9.141 1.00 0.00 N ATOM 654 CA SER A 45 1.397 -2.117 9.321 1.00 0.00 C ATOM 655 C SER A 45 2.146 -2.093 7.983 1.00 0.00 C ATOM 656 O SER A 45 3.336 -1.784 7.950 1.00 0.00 O ATOM 657 CB SER A 45 1.702 -3.439 10.044 1.00 0.00 C ATOM 658 OG SER A 45 0.783 -3.738 11.085 1.00 0.00 O ATOM 0 H SER A 45 -0.574 -2.780 9.469 1.00 0.00 H new ATOM 0 HA SER A 45 1.738 -1.271 9.918 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.694 -4.252 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.708 -3.393 10.460 1.00 0.00 H new ATOM 0 HG SER A 45 1.029 -4.589 11.504 1.00 0.00 H new ATOM 664 N THR A 46 1.474 -2.432 6.882 1.00 0.00 N ATOM 665 CA THR A 46 1.988 -2.272 5.537 1.00 0.00 C ATOM 666 C THR A 46 1.643 -0.881 5.018 1.00 0.00 C ATOM 667 O THR A 46 2.560 -0.170 4.616 1.00 0.00 O ATOM 668 CB THR A 46 1.426 -3.414 4.672 1.00 0.00 C ATOM 669 OG1 THR A 46 2.144 -4.607 4.935 1.00 0.00 O ATOM 670 CG2 THR A 46 1.494 -3.178 3.163 1.00 0.00 C ATOM 0 H THR A 46 0.537 -2.834 6.910 1.00 0.00 H new ATOM 0 HA THR A 46 3.075 -2.341 5.507 1.00 0.00 H new ATOM 0 HB THR A 46 0.373 -3.477 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.784 -5.334 4.385 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.074 -4.038 2.641 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.923 -2.285 2.908 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.533 -3.042 2.862 1.00 0.00 H new ATOM 678 N LEU A 47 0.361 -0.497 5.002 1.00 0.00 N ATOM 679 CA LEU A 47 -0.114 0.729 4.374 1.00 0.00 C ATOM 680 C LEU A 47 0.729 1.904 4.833 1.00 0.00 C ATOM 681 O LEU A 47 1.226 2.646 3.999 1.00 0.00 O ATOM 682 CB LEU A 47 -1.594 0.984 4.704 1.00 0.00 C ATOM 683 CG LEU A 47 -2.146 2.229 3.970 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.383 1.942 2.493 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.513 2.590 4.536 1.00 0.00 C ATOM 0 H LEU A 47 -0.384 -1.043 5.434 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.022 0.616 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.183 0.109 4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.708 1.118 5.780 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.413 3.025 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.771 2.837 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.443 1.652 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.105 1.132 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.901 3.467 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.197 1.753 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.420 2.808 5.600 1.00 0.00 H new ATOM 697 N GLU A 48 0.927 2.042 6.142 1.00 0.00 N ATOM 698 CA GLU A 48 1.644 3.136 6.746 1.00 0.00 C ATOM 699 C GLU A 48 3.025 3.292 6.098 1.00 0.00 C ATOM 700 O GLU A 48 3.293 4.298 5.443 1.00 0.00 O ATOM 701 CB GLU A 48 1.704 2.857 8.255 1.00 0.00 C ATOM 702 CG GLU A 48 2.077 4.166 8.942 1.00 0.00 C ATOM 703 CD GLU A 48 2.211 4.083 10.458 1.00 0.00 C ATOM 704 OE1 GLU A 48 2.765 3.085 10.977 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.761 5.030 11.146 1.00 0.00 O ATOM 0 H GLU A 48 0.577 1.368 6.823 1.00 0.00 H new ATOM 0 HA GLU A 48 1.142 4.090 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.743 2.493 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.441 2.084 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.021 4.520 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.322 4.914 8.700 1.00 0.00 H new ATOM 712 N TYR A 49 3.877 2.273 6.232 1.00 0.00 N ATOM 713 CA TYR A 49 5.189 2.186 5.600 1.00 0.00 C ATOM 714 C TYR A 49 5.093 2.525 4.112 1.00 0.00 C ATOM 715 O TYR A 49 5.870 3.321 3.595 1.00 0.00 O ATOM 716 CB TYR A 49 5.721 0.755 5.816 1.00 0.00 C ATOM 717 CG TYR A 49 6.916 0.361 4.969 1.00 0.00 C ATOM 718 CD1 TYR A 49 6.693 -0.087 3.655 1.00 0.00 C ATOM 719 CD2 TYR A 49 8.229 0.435 5.472 1.00 0.00 C ATOM 720 CE1 TYR A 49 7.770 -0.438 2.826 1.00 0.00 C ATOM 721 CE2 TYR A 49 9.314 0.066 4.656 1.00 0.00 C ATOM 722 CZ TYR A 49 9.091 -0.356 3.325 1.00 0.00 C ATOM 723 OH TYR A 49 10.146 -0.678 2.528 1.00 0.00 O ATOM 0 H TYR A 49 3.661 1.457 6.805 1.00 0.00 H new ATOM 0 HA TYR A 49 5.876 2.906 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.991 0.642 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.911 0.053 5.618 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.683 -0.162 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.403 0.774 6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.591 -0.769 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 49 10.320 0.105 5.047 1.00 0.00 H new ATOM 0 HH TYR A 49 10.146 -0.100 1.736 1.00 0.00 H new ATOM 733 N LYS A 50 4.159 1.908 3.394 1.00 0.00 N ATOM 734 CA LYS A 50 4.101 1.972 1.941 1.00 0.00 C ATOM 735 C LYS A 50 3.726 3.381 1.463 1.00 0.00 C ATOM 736 O LYS A 50 4.269 3.818 0.449 1.00 0.00 O ATOM 737 CB LYS A 50 3.092 0.924 1.477 1.00 0.00 C ATOM 738 CG LYS A 50 3.520 -0.541 1.591 1.00 0.00 C ATOM 739 CD LYS A 50 4.665 -0.896 0.644 1.00 0.00 C ATOM 740 CE LYS A 50 4.585 -2.364 0.219 1.00 0.00 C ATOM 741 NZ LYS A 50 5.272 -2.602 -1.064 1.00 0.00 N ATOM 0 H LYS A 50 3.416 1.346 3.810 1.00 0.00 H new ATOM 0 HA LYS A 50 5.079 1.760 1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.175 1.056 2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.846 1.126 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.825 -0.747 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.665 -1.183 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.626 -0.255 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.620 -0.706 1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.031 -2.991 0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.540 -2.661 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.195 -3.608 -1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 4.831 -2.023 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.275 -2.343 -0.974 1.00 0.00 H new ATOM 755 N VAL A 51 2.881 4.111 2.193 1.00 0.00 N ATOM 756 CA VAL A 51 2.656 5.539 1.994 1.00 0.00 C ATOM 757 C VAL A 51 3.996 6.269 2.144 1.00 0.00 C ATOM 758 O VAL A 51 4.396 7.023 1.266 1.00 0.00 O ATOM 759 CB VAL A 51 1.615 6.051 3.016 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.385 7.557 2.951 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.218 5.448 2.876 1.00 0.00 C ATOM 0 H VAL A 51 2.325 3.717 2.952 1.00 0.00 H new ATOM 0 HA VAL A 51 2.261 5.730 0.996 1.00 0.00 H new ATOM 0 HB VAL A 51 2.077 5.742 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.643 7.844 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.321 8.077 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.026 7.828 1.958 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.438 5.870 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.179 5.676 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.274 4.367 3.004 1.00 0.00 H new ATOM 771 N LYS A 52 4.691 6.052 3.261 1.00 0.00 N ATOM 772 CA LYS A 52 5.885 6.788 3.705 1.00 0.00 C ATOM 773 C LYS A 52 7.083 6.581 2.786 1.00 0.00 C ATOM 774 O LYS A 52 7.934 7.458 2.655 1.00 0.00 O ATOM 775 CB LYS A 52 6.145 6.358 5.155 1.00 0.00 C ATOM 776 CG LYS A 52 5.040 6.959 6.032 1.00 0.00 C ATOM 777 CD LYS A 52 4.791 6.165 7.305 1.00 0.00 C ATOM 778 CE LYS A 52 5.694 6.570 8.471 1.00 0.00 C ATOM 779 NZ LYS A 52 7.030 5.940 8.423 1.00 0.00 N ATOM 0 H LYS A 52 4.425 5.319 3.919 1.00 0.00 H new ATOM 0 HA LYS A 52 5.716 7.864 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.147 5.271 5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.124 6.704 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.309 7.982 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.116 7.011 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.750 6.291 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.937 5.105 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.811 7.654 8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.207 6.302 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.574 6.215 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.925 4.906 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.532 6.256 7.569 1.00 0.00 H new ATOM 793 N GLU A 53 7.099 5.453 2.099 1.00 0.00 N ATOM 794 CA GLU A 53 7.960 5.114 0.994 1.00 0.00 C ATOM 795 C GLU A 53 7.578 5.995 -0.196 1.00 0.00 C ATOM 796 O GLU A 53 8.351 6.849 -0.638 1.00 0.00 O ATOM 797 CB GLU A 53 7.698 3.635 0.702 1.00 0.00 C ATOM 798 CG GLU A 53 8.314 2.671 1.700 1.00 0.00 C ATOM 799 CD GLU A 53 9.782 2.329 1.468 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.030 1.299 0.797 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.643 2.997 2.080 1.00 0.00 O ATOM 0 H GLU A 53 6.456 4.693 2.322 1.00 0.00 H new ATOM 0 HA GLU A 53 9.017 5.275 1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.621 3.470 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.081 3.402 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.212 3.096 2.699 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.738 1.746 1.687 1.00 0.00 H new ATOM 808 N ARG A 54 6.371 5.776 -0.735 1.00 0.00 N ATOM 809 CA ARG A 54 5.912 6.376 -1.986 1.00 0.00 C ATOM 810 C ARG A 54 5.845 7.902 -1.901 1.00 0.00 C ATOM 811 O ARG A 54 5.944 8.571 -2.926 1.00 0.00 O ATOM 812 CB ARG A 54 4.542 5.783 -2.359 1.00 0.00 C ATOM 813 CG ARG A 54 4.572 4.309 -2.796 1.00 0.00 C ATOM 814 CD ARG A 54 5.198 4.146 -4.185 1.00 0.00 C ATOM 815 NE ARG A 54 5.085 2.771 -4.703 1.00 0.00 N ATOM 816 CZ ARG A 54 6.093 1.941 -5.002 1.00 0.00 C ATOM 817 NH1 ARG A 54 7.331 2.222 -4.612 1.00 0.00 N ATOM 818 NH2 ARG A 54 5.858 0.819 -5.674 1.00 0.00 N ATOM 0 H ARG A 54 5.677 5.166 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 54 6.635 6.141 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.875 5.879 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.113 6.377 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.138 3.725 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.558 3.910 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.714 4.832 -4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.250 4.427 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 54 4.141 2.414 -4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.518 3.073 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 54 8.095 1.587 -4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.908 0.588 -5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.628 0.189 -5.900 1.00 0.00 H new ATOM 832 N LEU A 55 5.761 8.466 -0.696 1.00 0.00 N ATOM 833 CA LEU A 55 5.863 9.894 -0.411 1.00 0.00 C ATOM 834 C LEU A 55 7.182 10.512 -0.887 1.00 0.00 C ATOM 835 O LEU A 55 7.281 11.739 -0.903 1.00 0.00 O ATOM 836 CB LEU A 55 5.657 10.132 1.098 1.00 0.00 C ATOM 837 CG LEU A 55 4.185 10.364 1.488 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.044 10.265 3.009 1.00 0.00 C ATOM 839 CD2 LEU A 55 3.673 11.731 1.017 1.00 0.00 C ATOM 0 H LEU A 55 5.613 7.911 0.147 1.00 0.00 H new ATOM 0 HA LEU A 55 5.078 10.396 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.039 9.273 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.247 10.996 1.405 1.00 0.00 H new ATOM 0 HG LEU A 55 3.585 9.598 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.003 10.429 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.358 9.275 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.670 11.021 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.631 11.851 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.273 12.520 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.751 11.794 -0.068 1.00 0.00 H new ATOM 851 N GLY A 56 8.161 9.714 -1.322 1.00 0.00 N ATOM 852 CA GLY A 56 9.328 10.179 -2.060 1.00 0.00 C ATOM 853 C GLY A 56 10.647 9.876 -1.374 1.00 0.00 C ATOM 854 O GLY A 56 11.680 10.343 -1.848 1.00 0.00 O ATOM 0 H GLY A 56 8.160 8.706 -1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.329 9.718 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.246 11.255 -2.210 1.00 0.00 H new ATOM 858 N THR A 57 10.634 9.110 -0.285 1.00 0.00 N ATOM 859 CA THR A 57 11.850 8.707 0.405 1.00 0.00 C ATOM 860 C THR A 57 12.652 7.676 -0.406 1.00 0.00 C ATOM 861 O THR A 57 13.833 7.445 -0.141 1.00 0.00 O ATOM 862 CB THR A 57 11.458 8.155 1.781 1.00 0.00 C ATOM 863 OG1 THR A 57 10.476 7.146 1.671 1.00 0.00 O ATOM 864 CG2 THR A 57 10.926 9.245 2.719 1.00 0.00 C ATOM 0 H THR A 57 9.779 8.753 0.141 1.00 0.00 H new ATOM 0 HA THR A 57 12.503 9.571 0.525 1.00 0.00 H new ATOM 0 HB THR A 57 12.373 7.740 2.204 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.643 7.454 2.084 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.663 8.802 3.679 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.694 10.004 2.868 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.042 9.705 2.277 1.00 0.00 H new ATOM 872 N LEU A 58 12.005 7.031 -1.378 1.00 0.00 N ATOM 873 CA LEU A 58 12.557 5.960 -2.195 1.00 0.00 C ATOM 874 C LEU A 58 13.678 6.480 -3.096 1.00 0.00 C ATOM 875 O LEU A 58 13.733 7.659 -3.445 1.00 0.00 O ATOM 876 CB LEU A 58 11.422 5.375 -3.049 1.00 0.00 C ATOM 877 CG LEU A 58 10.386 4.621 -2.195 1.00 0.00 C ATOM 878 CD1 LEU A 58 9.023 4.637 -2.890 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.786 3.161 -1.986 1.00 0.00 C ATOM 0 H LEU A 58 11.041 7.254 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 58 12.983 5.192 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.927 6.179 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.841 4.697 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 58 10.338 5.125 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.297 4.101 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.695 5.668 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.105 4.153 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.032 2.660 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.863 2.663 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.749 3.117 -1.477 1.00 0.00 H new ATOM 891 N LYS A 59 14.548 5.564 -3.521 1.00 0.00 N ATOM 892 CA LYS A 59 15.545 5.817 -4.553 1.00 0.00 C ATOM 893 C LYS A 59 14.819 5.917 -5.893 1.00 0.00 C ATOM 894 O LYS A 59 13.756 5.316 -6.071 1.00 0.00 O ATOM 895 CB LYS A 59 16.559 4.675 -4.505 1.00 0.00 C ATOM 896 CG LYS A 59 17.810 4.908 -5.360 1.00 0.00 C ATOM 897 CD LYS A 59 18.764 3.759 -5.046 1.00 0.00 C ATOM 898 CE LYS A 59 19.965 3.713 -5.985 1.00 0.00 C ATOM 899 NZ LYS A 59 20.796 2.530 -5.682 1.00 0.00 N ATOM 0 H LYS A 59 14.578 4.614 -3.151 1.00 0.00 H new ATOM 0 HA LYS A 59 16.086 6.751 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.864 4.518 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.072 3.758 -4.836 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.558 4.926 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.268 5.869 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.116 3.855 -4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.222 2.815 -5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.627 3.675 -7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.557 4.622 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 21.612 2.505 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 21.132 2.584 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.230 1.667 -5.808 1.00 0.00 H new ATOM 913 N ASN A 60 15.405 6.646 -6.842 1.00 0.00 N ATOM 914 CA ASN A 60 14.720 7.204 -8.008 1.00 0.00 C ATOM 915 C ASN A 60 13.305 7.686 -7.660 1.00 0.00 C ATOM 916 O ASN A 60 12.319 7.105 -8.120 1.00 0.00 O ATOM 917 CB ASN A 60 14.767 6.269 -9.230 1.00 0.00 C ATOM 918 CG ASN A 60 14.059 6.852 -10.455 1.00 0.00 C ATOM 919 OD1 ASN A 60 13.380 6.137 -11.193 1.00 0.00 O ATOM 920 ND2 ASN A 60 14.225 8.133 -10.743 1.00 0.00 N ATOM 0 H ASN A 60 16.400 6.872 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 60 15.276 8.091 -8.310 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.807 6.062 -9.482 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.306 5.316 -8.970 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.790 8.529 -11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.787 8.725 -10.131 1.00 0.00 H new ATOM 927 N PRO A 61 13.173 8.746 -6.850 1.00 0.00 N ATOM 928 CA PRO A 61 11.900 9.413 -6.684 1.00 0.00 C ATOM 929 C PRO A 61 11.582 10.198 -7.970 1.00 0.00 C ATOM 930 O PRO A 61 12.486 10.504 -8.760 1.00 0.00 O ATOM 931 CB PRO A 61 12.093 10.319 -5.470 1.00 0.00 C ATOM 932 CG PRO A 61 13.557 10.731 -5.583 1.00 0.00 C ATOM 933 CD PRO A 61 14.227 9.499 -6.187 1.00 0.00 C ATOM 0 HA PRO A 61 11.060 8.738 -6.521 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.427 11.181 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.892 9.793 -4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 61 13.680 11.607 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.980 10.982 -4.610 1.00 0.00 H new ATOM 0 HD2 PRO A 61 15.004 9.787 -6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.707 8.899 -5.414 1.00 0.00 H new ATOM 941 N PRO A 62 10.313 10.556 -8.198 1.00 0.00 N ATOM 942 CA PRO A 62 9.899 11.248 -9.406 1.00 0.00 C ATOM 943 C PRO A 62 10.484 12.657 -9.504 1.00 0.00 C ATOM 944 O PRO A 62 10.876 13.290 -8.517 1.00 0.00 O ATOM 945 CB PRO A 62 8.371 11.270 -9.358 1.00 0.00 C ATOM 946 CG PRO A 62 8.057 11.143 -7.874 1.00 0.00 C ATOM 947 CD PRO A 62 9.164 10.221 -7.382 1.00 0.00 C ATOM 0 HA PRO A 62 10.268 10.737 -10.295 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.970 12.194 -9.775 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.940 10.449 -9.931 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.079 12.109 -7.370 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.068 10.717 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.370 10.380 -6.324 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.888 9.173 -7.499 1.00 0.00 H new ATOM 955 N LYS A 63 10.507 13.170 -10.733 1.00 0.00 N ATOM 956 CA LYS A 63 11.005 14.498 -11.073 1.00 0.00 C ATOM 957 C LYS A 63 9.907 15.563 -11.026 1.00 0.00 C ATOM 958 O LYS A 63 10.240 16.745 -10.940 1.00 0.00 O ATOM 959 CB LYS A 63 11.631 14.405 -12.475 1.00 0.00 C ATOM 960 CG LYS A 63 12.589 15.547 -12.829 1.00 0.00 C ATOM 961 CD LYS A 63 13.778 15.629 -11.861 1.00 0.00 C ATOM 962 CE LYS A 63 15.015 16.280 -12.483 1.00 0.00 C ATOM 963 NZ LYS A 63 15.696 15.384 -13.439 1.00 0.00 N ATOM 0 H LYS A 63 10.168 12.654 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 63 11.746 14.811 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.169 13.460 -12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.830 14.379 -13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.959 15.407 -13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.046 16.492 -12.815 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.482 16.196 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.034 14.625 -11.524 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.723 17.198 -12.993 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.711 16.562 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.565 15.840 -13.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.939 14.491 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.065 15.189 -14.242 1.00 0.00 H new ATOM 977 N LYS A 64 8.634 15.139 -11.092 1.00 0.00 N ATOM 978 CA LYS A 64 7.385 15.898 -11.249 1.00 0.00 C ATOM 979 C LYS A 64 7.548 17.406 -11.004 1.00 0.00 C ATOM 980 O LYS A 64 7.308 17.892 -9.898 1.00 0.00 O ATOM 981 CB LYS A 64 6.284 15.259 -10.364 1.00 0.00 C ATOM 982 CG LYS A 64 4.901 15.189 -11.037 1.00 0.00 C ATOM 983 CD LYS A 64 4.751 13.878 -11.822 1.00 0.00 C ATOM 984 CE LYS A 64 3.398 13.781 -12.539 1.00 0.00 C ATOM 985 NZ LYS A 64 3.160 12.426 -13.082 1.00 0.00 N ATOM 0 H LYS A 64 8.435 14.141 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 64 7.079 15.832 -12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.594 14.251 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.198 15.830 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.118 15.259 -10.282 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.773 16.038 -11.708 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.554 13.802 -12.555 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.860 13.034 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.599 14.040 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.363 14.509 -13.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.236 12.400 -13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.908 12.189 -13.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.168 11.734 -12.305 1.00 0.00 H new ATOM 999 N LYS A 65 7.970 18.166 -12.025 1.00 0.00 N ATOM 1000 CA LYS A 65 8.276 19.589 -11.853 1.00 0.00 C ATOM 1001 C LYS A 65 7.035 20.327 -11.373 1.00 0.00 C ATOM 1002 O LYS A 65 7.148 21.134 -10.456 1.00 0.00 O ATOM 1003 CB LYS A 65 8.833 20.203 -13.149 1.00 0.00 C ATOM 1004 CG LYS A 65 9.267 21.677 -12.965 1.00 0.00 C ATOM 1005 CD LYS A 65 10.737 21.938 -13.315 1.00 0.00 C ATOM 1006 CE LYS A 65 11.641 21.241 -12.294 1.00 0.00 C ATOM 1007 NZ LYS A 65 13.071 21.504 -12.533 1.00 0.00 N ATOM 0 H LYS A 65 8.106 17.818 -12.974 1.00 0.00 H new ATOM 0 HA LYS A 65 9.054 19.691 -11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.686 19.616 -13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.075 20.145 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.637 22.312 -13.588 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.092 21.971 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.953 21.570 -14.318 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.935 23.010 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.376 21.576 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.462 20.166 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.639 21.010 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.334 21.161 -13.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.251 22.527 -12.473 1.00 0.00 H new ATOM 1021 N MET A 66 5.887 20.030 -11.999 1.00 0.00 N ATOM 1022 CA MET A 66 4.554 20.535 -11.700 1.00 0.00 C ATOM 1023 C MET A 66 4.636 21.971 -11.184 1.00 0.00 C ATOM 1024 O MET A 66 4.516 22.219 -9.983 1.00 0.00 O ATOM 1025 CB MET A 66 3.830 19.560 -10.752 1.00 0.00 C ATOM 1026 CG MET A 66 2.364 19.969 -10.630 1.00 0.00 C ATOM 1027 SD MET A 66 1.292 18.883 -9.671 1.00 0.00 S ATOM 1028 CE MET A 66 -0.145 19.991 -9.648 1.00 0.00 C ATOM 0 H MET A 66 5.874 19.381 -12.786 1.00 0.00 H new ATOM 0 HA MET A 66 3.950 20.583 -12.606 1.00 0.00 H new ATOM 0 HB2 MET A 66 3.905 18.542 -11.133 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.305 19.569 -9.771 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.325 20.963 -10.185 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.950 20.053 -11.635 1.00 0.00 H new ATOM 0 HE1 MET A 66 -0.958 19.521 -9.095 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.127 20.930 -9.165 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.468 20.189 -10.670 1.00 0.00 H new ATOM 1038 N LYS A 67 4.954 22.902 -12.087 1.00 0.00 N ATOM 1039 CA LYS A 67 5.249 24.280 -11.732 1.00 0.00 C ATOM 1040 C LYS A 67 3.951 24.970 -11.302 1.00 0.00 C ATOM 1041 O LYS A 67 3.280 25.584 -12.134 1.00 0.00 O ATOM 1042 CB LYS A 67 5.944 24.975 -12.916 1.00 0.00 C ATOM 1043 CG LYS A 67 6.703 26.242 -12.505 1.00 0.00 C ATOM 1044 CD LYS A 67 8.062 25.885 -11.878 1.00 0.00 C ATOM 1045 CE LYS A 67 8.933 27.110 -11.589 1.00 0.00 C ATOM 1046 NZ LYS A 67 9.161 27.953 -12.780 1.00 0.00 N ATOM 0 H LYS A 67 5.013 22.714 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 67 5.938 24.333 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.639 24.277 -13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.198 25.233 -13.668 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.855 26.879 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.108 26.813 -11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.894 25.339 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.600 25.215 -12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.459 27.710 -10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.894 26.780 -11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.162 28.232 -12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.915 27.417 -13.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.567 28.805 -12.721 1.00 0.00 H new ATOM 1060 N LEU A 68 3.579 24.839 -10.027 1.00 0.00 N ATOM 1061 CA LEU A 68 2.212 24.996 -9.532 1.00 0.00 C ATOM 1062 C LEU A 68 1.238 24.123 -10.351 1.00 0.00 C ATOM 1063 O LEU A 68 1.646 23.324 -11.205 1.00 0.00 O ATOM 1064 CB LEU A 68 1.838 26.495 -9.516 1.00 0.00 C ATOM 1065 CG LEU A 68 0.862 26.891 -8.390 1.00 0.00 C ATOM 1066 CD1 LEU A 68 1.625 27.294 -7.127 1.00 0.00 C ATOM 1067 CD2 LEU A 68 -0.021 28.061 -8.821 1.00 0.00 C ATOM 0 H LEU A 68 4.244 24.613 -9.287 1.00 0.00 H new ATOM 0 HA LEU A 68 2.138 24.640 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.749 27.084 -9.415 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.393 26.757 -10.476 1.00 0.00 H new ATOM 0 HG LEU A 68 0.239 26.022 -8.180 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.916 27.569 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.233 26.456 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.270 28.144 -7.348 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.701 28.322 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.605 28.921 -9.060 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.598 27.776 -9.701 1.00 0.00 H new ATOM 1079 N MET A 69 -0.067 24.249 -10.113 1.00 0.00 N ATOM 1080 CA MET A 69 -1.046 23.941 -11.150 1.00 0.00 C ATOM 1081 C MET A 69 -0.990 25.084 -12.163 1.00 0.00 C ATOM 1082 O MET A 69 -0.843 26.245 -11.765 1.00 0.00 O ATOM 1083 CB MET A 69 -2.446 23.810 -10.538 1.00 0.00 C ATOM 1084 CG MET A 69 -2.514 22.562 -9.658 1.00 0.00 C ATOM 1085 SD MET A 69 -4.116 22.251 -8.886 1.00 0.00 S ATOM 1086 CE MET A 69 -3.686 20.706 -8.046 1.00 0.00 C ATOM 0 H MET A 69 -0.465 24.557 -9.226 1.00 0.00 H new ATOM 0 HA MET A 69 -0.823 22.991 -11.636 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.678 24.696 -9.947 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.194 23.749 -11.329 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.246 21.696 -10.263 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.762 22.649 -8.874 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.553 20.336 -7.499 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.379 19.964 -8.783 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.867 20.886 -7.350 1.00 0.00 H new ATOM 1096 N ARG A 70 -1.127 24.786 -13.457 1.00 0.00 N ATOM 1097 CA ARG A 70 -1.425 25.822 -14.439 1.00 0.00 C ATOM 1098 C ARG A 70 -2.749 26.420 -14.032 1.00 0.00 C ATOM 1099 O ARG A 70 -2.823 27.660 -13.953 1.00 0.00 O ATOM 1100 CB ARG A 70 -1.469 25.254 -15.869 1.00 0.00 C ATOM 1101 CG ARG A 70 -2.154 26.183 -16.889 1.00 0.00 C ATOM 1102 CD ARG A 70 -1.525 27.579 -17.000 1.00 0.00 C ATOM 1103 NE ARG A 70 -2.376 28.477 -17.795 1.00 0.00 N ATOM 1104 CZ ARG A 70 -3.432 29.173 -17.338 1.00 0.00 C ATOM 1105 NH1 ARG A 70 -3.770 29.167 -16.053 1.00 0.00 N ATOM 1106 NH2 ARG A 70 -4.164 29.894 -18.180 1.00 0.00 N ATOM 0 H ARG A 70 -1.037 23.846 -13.843 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.644 26.582 -14.455 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.450 25.054 -16.201 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.993 24.298 -15.854 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.128 25.707 -17.869 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.203 26.292 -16.615 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.380 27.997 -16.004 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.540 27.503 -17.461 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.144 28.581 -18.783 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.223 28.625 -15.384 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.576 29.705 -15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.925 29.919 -19.171 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.965 30.423 -17.835 1.00 0.00 H new TER 1120 ARG A 70