USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 650 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.887 K(o=0.89,f=-0.055) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.58) USER MOD Single : A 32 THR OG1 : rot 60:sc= 0.228 USER MOD Single : A 37 GLN : amide:sc= -2.83 K(o=-2.8,f=-3.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.368) USER MOD Single : A 43 ASN : amide:sc=-0.00842 X(o=-0.0084,f=-0.3) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -54:sc= 0.619 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl 164:sc= 0 (180deg=-0.125) USER MOD Single : A 77 GLN : amide:sc= 1.14 K(o=1.1,f=-0.45) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -124:sc= -0.234 (180deg=-1.94!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 148:sc= 0.886 USER MOD Single : A 85 GLN : amide:sc= -0.0385 X(o=-0.038,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 96 N ALA A 10 2.124 20.763 -4.102 1.00 35.42 N ATOM 97 CA ALA A 10 1.447 19.772 -4.929 1.00 33.50 C ATOM 98 C ALA A 10 1.793 18.356 -4.481 1.00 63.52 C ATOM 99 O ALA A 10 1.176 17.387 -4.925 1.00 0.34 O ATOM 100 CB ALA A 10 1.813 19.968 -6.393 1.00 21.13 C ATOM 0 HA ALA A 10 0.372 19.910 -4.813 1.00 33.50 H new ATOM 0 HB1 ALA A 10 1.300 19.221 -6.999 1.00 21.13 H new ATOM 0 HB2 ALA A 10 1.511 20.965 -6.713 1.00 21.13 H new ATOM 0 HB3 ALA A 10 2.890 19.858 -6.517 1.00 21.13 H new ATOM 106 N GLU A 11 2.783 18.243 -3.601 1.00 32.33 N ATOM 107 CA GLU A 11 3.210 16.943 -3.095 1.00 0.11 C ATOM 108 C GLU A 11 2.418 16.556 -1.850 1.00 42.12 C ATOM 109 O GLU A 11 1.865 15.459 -1.769 1.00 10.32 O ATOM 110 CB GLU A 11 4.706 16.963 -2.775 1.00 2.20 C ATOM 111 CG GLU A 11 5.592 16.742 -3.990 1.00 1.44 C ATOM 112 CD GLU A 11 5.908 18.033 -4.721 1.00 23.51 C ATOM 113 OE1 GLU A 11 7.096 18.262 -5.032 1.00 63.51 O ATOM 114 OE2 GLU A 11 4.971 18.814 -4.983 1.00 72.15 O ATOM 0 H GLU A 11 3.304 19.035 -3.224 1.00 32.33 H new ATOM 0 HA GLU A 11 3.021 16.200 -3.870 1.00 0.11 H new ATOM 0 HB2 GLU A 11 4.959 17.921 -2.321 1.00 2.20 H new ATOM 0 HB3 GLU A 11 4.921 16.193 -2.034 1.00 2.20 H new ATOM 0 HG2 GLU A 11 6.522 16.269 -3.676 1.00 1.44 H new ATOM 0 HG3 GLU A 11 5.099 16.052 -4.675 1.00 1.44 H new ATOM 122 N ILE A 12 2.367 17.466 -0.882 1.00 4.42 N ATOM 123 CA ILE A 12 1.641 17.221 0.359 1.00 65.31 C ATOM 124 C ILE A 12 0.199 16.812 0.080 1.00 55.20 C ATOM 125 O ILE A 12 -0.291 15.819 0.619 1.00 70.21 O ATOM 126 CB ILE A 12 1.645 18.464 1.267 1.00 53.05 C ATOM 127 CG1 ILE A 12 3.073 18.807 1.694 1.00 32.12 C ATOM 128 CG2 ILE A 12 0.763 18.232 2.485 1.00 32.34 C ATOM 129 CD1 ILE A 12 3.160 20.023 2.590 1.00 33.43 C ATOM 0 H ILE A 12 2.819 18.379 -0.933 1.00 4.42 H new ATOM 0 HA ILE A 12 2.154 16.406 0.870 1.00 65.31 H new ATOM 0 HB ILE A 12 1.242 19.307 0.706 1.00 53.05 H new ATOM 0 HG12 ILE A 12 3.504 17.951 2.214 1.00 32.12 H new ATOM 0 HG13 ILE A 12 3.679 18.977 0.804 1.00 32.12 H new ATOM 0 HG21 ILE A 12 0.776 19.119 3.118 1.00 32.34 H new ATOM 0 HG22 ILE A 12 -0.258 18.031 2.162 1.00 32.34 H new ATOM 0 HG23 ILE A 12 1.139 17.379 3.049 1.00 32.34 H new ATOM 0 HD11 ILE A 12 4.202 20.207 2.853 1.00 33.43 H new ATOM 0 HD12 ILE A 12 2.759 20.891 2.066 1.00 33.43 H new ATOM 0 HD13 ILE A 12 2.582 19.849 3.497 1.00 33.43 H new ATOM 141 N LYS A 13 -0.476 17.582 -0.765 1.00 21.22 N ATOM 142 CA LYS A 13 -1.862 17.300 -1.119 1.00 30.30 C ATOM 143 C LYS A 13 -2.036 15.836 -1.510 1.00 55.51 C ATOM 144 O LYS A 13 -3.042 15.210 -1.173 1.00 61.35 O ATOM 145 CB LYS A 13 -2.310 18.203 -2.271 1.00 73.43 C ATOM 146 CG LYS A 13 -3.144 19.390 -1.823 1.00 75.13 C ATOM 147 CD LYS A 13 -4.136 19.811 -2.895 1.00 31.42 C ATOM 148 CE LYS A 13 -5.257 20.661 -2.315 1.00 41.24 C ATOM 149 NZ LYS A 13 -5.933 21.476 -3.363 1.00 53.05 N ATOM 0 H LYS A 13 -0.085 18.408 -1.219 1.00 21.22 H new ATOM 0 HA LYS A 13 -2.482 17.501 -0.245 1.00 30.30 H new ATOM 0 HB2 LYS A 13 -1.429 18.567 -2.800 1.00 73.43 H new ATOM 0 HB3 LYS A 13 -2.887 17.612 -2.982 1.00 73.43 H new ATOM 0 HG2 LYS A 13 -3.681 19.135 -0.909 1.00 75.13 H new ATOM 0 HG3 LYS A 13 -2.488 20.227 -1.584 1.00 75.13 H new ATOM 0 HD2 LYS A 13 -3.617 20.372 -3.672 1.00 31.42 H new ATOM 0 HD3 LYS A 13 -4.558 18.925 -3.370 1.00 31.42 H new ATOM 0 HE2 LYS A 13 -5.988 20.015 -1.829 1.00 41.24 H new ATOM 0 HE3 LYS A 13 -4.853 21.320 -1.547 1.00 41.24 H new ATOM 0 HZ1 LYS A 13 -6.690 22.041 -2.929 1.00 53.05 H new ATOM 0 HZ2 LYS A 13 -5.241 22.110 -3.810 1.00 53.05 H new ATOM 0 HZ3 LYS A 13 -6.341 20.846 -4.083 1.00 53.05 H new ATOM 163 N ILE A 14 -1.051 15.296 -2.218 1.00 64.32 N ATOM 164 CA ILE A 14 -1.095 13.904 -2.652 1.00 0.44 C ATOM 165 C ILE A 14 -0.965 12.956 -1.466 1.00 72.35 C ATOM 166 O ILE A 14 -1.798 12.069 -1.274 1.00 33.14 O ATOM 167 CB ILE A 14 0.020 13.596 -3.667 1.00 65.14 C ATOM 168 CG1 ILE A 14 -0.197 14.394 -4.954 1.00 22.40 C ATOM 169 CG2 ILE A 14 0.068 12.104 -3.964 1.00 11.03 C ATOM 170 CD1 ILE A 14 1.058 14.554 -5.784 1.00 42.32 C ATOM 0 H ILE A 14 -0.212 15.801 -2.504 1.00 64.32 H new ATOM 0 HA ILE A 14 -2.062 13.752 -3.131 1.00 0.44 H new ATOM 0 HB ILE A 14 0.976 13.892 -3.235 1.00 65.14 H new ATOM 0 HG12 ILE A 14 -0.960 13.899 -5.555 1.00 22.40 H new ATOM 0 HG13 ILE A 14 -0.583 15.381 -4.699 1.00 22.40 H new ATOM 0 HG21 ILE A 14 0.861 11.902 -4.683 1.00 11.03 H new ATOM 0 HG22 ILE A 14 0.265 11.556 -3.043 1.00 11.03 H new ATOM 0 HG23 ILE A 14 -0.888 11.785 -4.379 1.00 11.03 H new ATOM 0 HD11 ILE A 14 0.830 15.130 -6.681 1.00 42.32 H new ATOM 0 HD12 ILE A 14 1.816 15.076 -5.200 1.00 42.32 H new ATOM 0 HD13 ILE A 14 1.433 13.571 -6.069 1.00 42.32 H new ATOM 182 N ILE A 15 0.083 13.149 -0.673 1.00 30.21 N ATOM 183 CA ILE A 15 0.321 12.312 0.497 1.00 50.23 C ATOM 184 C ILE A 15 -0.911 12.260 1.396 1.00 5.44 C ATOM 185 O ILE A 15 -1.257 11.209 1.932 1.00 72.52 O ATOM 186 CB ILE A 15 1.521 12.818 1.319 1.00 25.30 C ATOM 187 CG1 ILE A 15 2.784 12.840 0.456 1.00 62.05 C ATOM 188 CG2 ILE A 15 1.728 11.947 2.548 1.00 73.35 C ATOM 189 CD1 ILE A 15 3.900 13.677 1.039 1.00 23.32 C ATOM 0 H ILE A 15 0.781 13.878 -0.819 1.00 30.21 H new ATOM 0 HA ILE A 15 0.542 11.311 0.127 1.00 50.23 H new ATOM 0 HB ILE A 15 1.312 13.835 1.651 1.00 25.30 H new ATOM 0 HG12 ILE A 15 3.140 11.819 0.321 1.00 62.05 H new ATOM 0 HG13 ILE A 15 2.532 13.223 -0.533 1.00 62.05 H new ATOM 0 HG21 ILE A 15 2.580 12.318 3.118 1.00 73.35 H new ATOM 0 HG22 ILE A 15 0.834 11.978 3.171 1.00 73.35 H new ATOM 0 HG23 ILE A 15 1.919 10.920 2.238 1.00 73.35 H new ATOM 0 HD11 ILE A 15 4.763 13.646 0.374 1.00 23.32 H new ATOM 0 HD12 ILE A 15 3.563 14.708 1.149 1.00 23.32 H new ATOM 0 HD13 ILE A 15 4.180 13.281 2.015 1.00 23.32 H new ATOM 201 N ARG A 16 -1.569 13.404 1.553 1.00 43.41 N ATOM 202 CA ARG A 16 -2.762 13.491 2.386 1.00 54.25 C ATOM 203 C ARG A 16 -3.780 12.425 1.988 1.00 54.02 C ATOM 204 O ARG A 16 -4.030 11.481 2.740 1.00 61.55 O ATOM 205 CB ARG A 16 -3.391 14.879 2.271 1.00 71.23 C ATOM 206 CG ARG A 16 -2.765 15.911 3.196 1.00 74.11 C ATOM 207 CD ARG A 16 -3.825 16.709 3.938 1.00 42.51 C ATOM 208 NE ARG A 16 -4.008 16.238 5.309 1.00 21.54 N ATOM 209 CZ ARG A 16 -5.083 16.507 6.041 1.00 32.30 C ATOM 210 NH1 ARG A 16 -6.067 17.237 5.537 1.00 25.22 N ATOM 211 NH2 ARG A 16 -5.175 16.042 7.281 1.00 74.24 N ATOM 0 H ARG A 16 -1.296 14.283 1.114 1.00 43.41 H new ATOM 0 HA ARG A 16 -2.466 13.320 3.421 1.00 54.25 H new ATOM 0 HB2 ARG A 16 -3.301 15.225 1.241 1.00 71.23 H new ATOM 0 HB3 ARG A 16 -4.456 14.805 2.491 1.00 71.23 H new ATOM 0 HG2 ARG A 16 -2.115 15.411 3.914 1.00 74.11 H new ATOM 0 HG3 ARG A 16 -2.138 16.588 2.616 1.00 74.11 H new ATOM 0 HD2 ARG A 16 -3.542 17.762 3.951 1.00 42.51 H new ATOM 0 HD3 ARG A 16 -4.772 16.640 3.402 1.00 42.51 H new ATOM 0 HE ARG A 16 -3.270 15.672 5.727 1.00 21.54 H new ATOM 0 HH11 ARG A 16 -6.000 17.594 4.584 1.00 25.22 H new ATOM 0 HH12 ARG A 16 -6.891 17.442 6.102 1.00 25.22 H new ATOM 0 HH21 ARG A 16 -4.420 15.478 7.672 1.00 74.24 H new ATOM 0 HH22 ARG A 16 -6.001 16.249 7.843 1.00 74.24 H new ATOM 225 N GLU A 17 -4.365 12.584 0.805 1.00 54.32 N ATOM 226 CA GLU A 17 -5.357 11.636 0.312 1.00 64.32 C ATOM 227 C GLU A 17 -4.806 10.213 0.332 1.00 53.25 C ATOM 228 O GLU A 17 -5.522 9.263 0.648 1.00 33.00 O ATOM 229 CB GLU A 17 -5.787 12.008 -1.108 1.00 25.13 C ATOM 230 CG GLU A 17 -7.292 12.130 -1.277 1.00 1.25 C ATOM 231 CD GLU A 17 -7.721 12.107 -2.731 1.00 24.54 C ATOM 232 OE1 GLU A 17 -7.000 12.687 -3.571 1.00 23.11 O ATOM 233 OE2 GLU A 17 -8.775 11.510 -3.031 1.00 74.11 O ATOM 0 H GLU A 17 -4.170 13.359 0.171 1.00 54.32 H new ATOM 0 HA GLU A 17 -6.224 11.681 0.970 1.00 64.32 H new ATOM 0 HB2 GLU A 17 -5.321 12.954 -1.383 1.00 25.13 H new ATOM 0 HB3 GLU A 17 -5.412 11.255 -1.801 1.00 25.13 H new ATOM 0 HG2 GLU A 17 -7.781 11.314 -0.745 1.00 1.25 H new ATOM 0 HG3 GLU A 17 -7.631 13.058 -0.817 1.00 1.25 H new ATOM 241 N ALA A 18 -3.530 10.074 -0.011 1.00 71.30 N ATOM 242 CA ALA A 18 -2.883 8.768 -0.031 1.00 22.43 C ATOM 243 C ALA A 18 -2.678 8.234 1.382 1.00 54.24 C ATOM 244 O ALA A 18 -2.554 7.026 1.589 1.00 64.31 O ATOM 245 CB ALA A 18 -1.551 8.850 -0.763 1.00 24.54 C ATOM 0 H ALA A 18 -2.924 10.849 -0.279 1.00 71.30 H new ATOM 0 HA ALA A 18 -3.536 8.076 -0.562 1.00 22.43 H new ATOM 0 HB1 ALA A 18 -1.079 7.868 -0.770 1.00 24.54 H new ATOM 0 HB2 ALA A 18 -1.719 9.180 -1.788 1.00 24.54 H new ATOM 0 HB3 ALA A 18 -0.900 9.562 -0.255 1.00 24.54 H new ATOM 251 N TYR A 19 -2.645 9.140 2.352 1.00 12.54 N ATOM 252 CA TYR A 19 -2.453 8.761 3.747 1.00 51.25 C ATOM 253 C TYR A 19 -3.766 8.301 4.373 1.00 0.54 C ATOM 254 O TYR A 19 -3.782 7.443 5.255 1.00 55.42 O ATOM 255 CB TYR A 19 -1.880 9.934 4.544 1.00 34.31 C ATOM 256 CG TYR A 19 -1.881 9.709 6.039 1.00 33.15 C ATOM 257 CD1 TYR A 19 -1.166 8.661 6.605 1.00 21.33 C ATOM 258 CD2 TYR A 19 -2.595 10.547 6.886 1.00 40.25 C ATOM 259 CE1 TYR A 19 -1.166 8.452 7.970 1.00 32.42 C ATOM 260 CE2 TYR A 19 -2.598 10.346 8.253 1.00 13.51 C ATOM 261 CZ TYR A 19 -1.883 9.297 8.790 1.00 30.55 C ATOM 262 OH TYR A 19 -1.882 9.094 10.151 1.00 71.42 O ATOM 0 H TYR A 19 -2.749 10.143 2.198 1.00 12.54 H new ATOM 0 HA TYR A 19 -1.747 7.931 3.776 1.00 51.25 H new ATOM 0 HB2 TYR A 19 -0.858 10.122 4.214 1.00 34.31 H new ATOM 0 HB3 TYR A 19 -2.457 10.831 4.320 1.00 34.31 H new ATOM 0 HD1 TYR A 19 -0.600 7.998 5.967 1.00 21.33 H new ATOM 0 HD2 TYR A 19 -3.157 11.369 6.469 1.00 40.25 H new ATOM 0 HE1 TYR A 19 -0.607 7.631 8.393 1.00 32.42 H new ATOM 0 HE2 TYR A 19 -3.158 11.008 8.898 1.00 13.51 H new ATOM 0 HH TYR A 19 -2.435 9.777 10.584 1.00 71.42 H new ATOM 272 N LYS A 20 -4.869 8.880 3.908 1.00 75.53 N ATOM 273 CA LYS A 20 -6.191 8.531 4.419 1.00 22.23 C ATOM 274 C LYS A 20 -6.849 7.471 3.542 1.00 52.23 C ATOM 275 O LYS A 20 -7.189 6.384 4.012 1.00 31.22 O ATOM 276 CB LYS A 20 -7.078 9.775 4.487 1.00 60.10 C ATOM 277 CG LYS A 20 -6.453 11.003 3.850 1.00 12.34 C ATOM 278 CD LYS A 20 -7.381 12.205 3.928 1.00 11.35 C ATOM 279 CE LYS A 20 -8.734 11.905 3.304 1.00 63.34 C ATOM 280 NZ LYS A 20 -9.270 13.074 2.551 1.00 74.11 N ATOM 0 H LYS A 20 -4.874 9.593 3.178 1.00 75.53 H new ATOM 0 HA LYS A 20 -6.070 8.124 5.423 1.00 22.23 H new ATOM 0 HB2 LYS A 20 -8.026 9.562 3.993 1.00 60.10 H new ATOM 0 HB3 LYS A 20 -7.304 9.993 5.531 1.00 60.10 H new ATOM 0 HG2 LYS A 20 -5.513 11.235 4.350 1.00 12.34 H new ATOM 0 HG3 LYS A 20 -6.216 10.792 2.807 1.00 12.34 H new ATOM 0 HD2 LYS A 20 -7.516 12.495 4.970 1.00 11.35 H new ATOM 0 HD3 LYS A 20 -6.924 13.053 3.418 1.00 11.35 H new ATOM 0 HE2 LYS A 20 -8.643 11.051 2.632 1.00 63.34 H new ATOM 0 HE3 LYS A 20 -9.439 11.622 4.085 1.00 63.34 H new ATOM 0 HZ1 LYS A 20 -10.194 12.829 2.141 1.00 74.11 H new ATOM 0 HZ2 LYS A 20 -9.381 13.882 3.197 1.00 74.11 H new ATOM 0 HZ3 LYS A 20 -8.610 13.329 1.789 1.00 74.11 H new ATOM 294 N LYS A 21 -7.028 7.792 2.265 1.00 34.14 N ATOM 295 CA LYS A 21 -7.642 6.868 1.321 1.00 42.34 C ATOM 296 C LYS A 21 -7.021 5.479 1.434 1.00 50.21 C ATOM 297 O LYS A 21 -7.729 4.474 1.468 1.00 62.21 O ATOM 298 CB LYS A 21 -7.490 7.391 -0.109 1.00 43.11 C ATOM 299 CG LYS A 21 -8.140 8.745 -0.334 1.00 62.34 C ATOM 300 CD LYS A 21 -9.527 8.606 -0.939 1.00 63.34 C ATOM 301 CE LYS A 21 -10.607 9.054 0.034 1.00 65.25 C ATOM 302 NZ LYS A 21 -11.956 9.048 -0.596 1.00 10.24 N ATOM 0 H LYS A 21 -6.755 8.688 1.860 1.00 34.14 H new ATOM 0 HA LYS A 21 -8.702 6.793 1.564 1.00 42.34 H new ATOM 0 HB2 LYS A 21 -6.429 7.462 -0.350 1.00 43.11 H new ATOM 0 HB3 LYS A 21 -7.926 6.669 -0.799 1.00 43.11 H new ATOM 0 HG2 LYS A 21 -8.208 9.279 0.614 1.00 62.34 H new ATOM 0 HG3 LYS A 21 -7.513 9.345 -0.994 1.00 62.34 H new ATOM 0 HD2 LYS A 21 -9.588 9.200 -1.851 1.00 63.34 H new ATOM 0 HD3 LYS A 21 -9.699 7.568 -1.222 1.00 63.34 H new ATOM 0 HE2 LYS A 21 -10.609 8.396 0.903 1.00 65.25 H new ATOM 0 HE3 LYS A 21 -10.378 10.057 0.394 1.00 65.25 H new ATOM 0 HZ1 LYS A 21 -12.665 9.359 0.098 1.00 10.24 H new ATOM 0 HZ2 LYS A 21 -11.962 9.695 -1.410 1.00 10.24 H new ATOM 0 HZ3 LYS A 21 -12.185 8.086 -0.917 1.00 10.24 H new ATOM 316 N ALA A 22 -5.694 5.434 1.495 1.00 51.13 N ATOM 317 CA ALA A 22 -4.978 4.168 1.608 1.00 34.01 C ATOM 318 C ALA A 22 -5.386 3.419 2.872 1.00 2.32 C ATOM 319 O ALA A 22 -5.788 2.257 2.813 1.00 52.33 O ATOM 320 CB ALA A 22 -3.476 4.410 1.597 1.00 73.03 C ATOM 0 H ALA A 22 -5.093 6.258 1.468 1.00 51.13 H new ATOM 0 HA ALA A 22 -5.242 3.550 0.750 1.00 34.01 H new ATOM 0 HB1 ALA A 22 -2.953 3.457 1.682 1.00 73.03 H new ATOM 0 HB2 ALA A 22 -3.193 4.897 0.664 1.00 73.03 H new ATOM 0 HB3 ALA A 22 -3.204 5.049 2.437 1.00 73.03 H new ATOM 326 N PHE A 23 -5.279 4.091 4.013 1.00 33.30 N ATOM 327 CA PHE A 23 -5.635 3.486 5.292 1.00 41.31 C ATOM 328 C PHE A 23 -7.140 3.251 5.381 1.00 53.25 C ATOM 329 O PHE A 23 -7.611 2.475 6.215 1.00 31.44 O ATOM 330 CB PHE A 23 -5.178 4.380 6.446 1.00 55.31 C ATOM 331 CG PHE A 23 -3.990 3.838 7.190 1.00 2.40 C ATOM 332 CD1 PHE A 23 -4.133 2.779 8.071 1.00 21.45 C ATOM 333 CD2 PHE A 23 -2.732 4.389 7.007 1.00 73.53 C ATOM 334 CE1 PHE A 23 -3.041 2.278 8.757 1.00 53.40 C ATOM 335 CE2 PHE A 23 -1.638 3.892 7.688 1.00 0.03 C ATOM 336 CZ PHE A 23 -1.792 2.835 8.565 1.00 0.50 C ATOM 0 H PHE A 23 -4.949 5.054 4.079 1.00 33.30 H new ATOM 0 HA PHE A 23 -5.130 2.523 5.365 1.00 41.31 H new ATOM 0 HB2 PHE A 23 -4.932 5.367 6.055 1.00 55.31 H new ATOM 0 HB3 PHE A 23 -6.005 4.510 7.144 1.00 55.31 H new ATOM 0 HD1 PHE A 23 -5.108 2.339 8.224 1.00 21.45 H new ATOM 0 HD2 PHE A 23 -2.605 5.216 6.324 1.00 73.53 H new ATOM 0 HE1 PHE A 23 -3.165 1.452 9.442 1.00 53.40 H new ATOM 0 HE2 PHE A 23 -0.662 4.329 7.535 1.00 0.03 H new ATOM 0 HZ PHE A 23 -0.938 2.446 9.099 1.00 0.50 H new ATOM 346 N LEU A 24 -7.891 3.924 4.518 1.00 43.11 N ATOM 347 CA LEU A 24 -9.343 3.789 4.498 1.00 4.00 C ATOM 348 C LEU A 24 -9.756 2.419 3.973 1.00 42.32 C ATOM 349 O LEU A 24 -10.565 1.724 4.588 1.00 32.12 O ATOM 350 CB LEU A 24 -9.966 4.888 3.634 1.00 14.51 C ATOM 351 CG LEU A 24 -11.047 4.437 2.651 1.00 21.43 C ATOM 352 CD1 LEU A 24 -12.331 4.094 3.389 1.00 42.51 C ATOM 353 CD2 LEU A 24 -11.301 5.514 1.605 1.00 34.34 C ATOM 0 H LEU A 24 -7.518 4.570 3.822 1.00 43.11 H new ATOM 0 HA LEU A 24 -9.706 3.890 5.521 1.00 4.00 H new ATOM 0 HB2 LEU A 24 -10.395 5.642 4.294 1.00 14.51 H new ATOM 0 HB3 LEU A 24 -9.170 5.374 3.070 1.00 14.51 H new ATOM 0 HG LEU A 24 -10.695 3.540 2.141 1.00 21.43 H new ATOM 0 HD11 LEU A 24 -13.088 3.775 2.673 1.00 42.51 H new ATOM 0 HD12 LEU A 24 -12.139 3.288 4.097 1.00 42.51 H new ATOM 0 HD13 LEU A 24 -12.687 4.973 3.927 1.00 42.51 H new ATOM 0 HD21 LEU A 24 -12.073 5.175 0.914 1.00 34.34 H new ATOM 0 HD22 LEU A 24 -11.631 6.429 2.097 1.00 34.34 H new ATOM 0 HD23 LEU A 24 -10.381 5.710 1.054 1.00 34.34 H new ATOM 365 N PHE A 25 -9.193 2.033 2.832 1.00 53.51 N ATOM 366 CA PHE A 25 -9.502 0.745 2.224 1.00 61.14 C ATOM 367 C PHE A 25 -8.810 -0.390 2.975 1.00 62.43 C ATOM 368 O PHE A 25 -9.252 -1.537 2.934 1.00 72.45 O ATOM 369 CB PHE A 25 -9.076 0.735 0.755 1.00 25.32 C ATOM 370 CG PHE A 25 -9.945 1.583 -0.127 1.00 44.54 C ATOM 371 CD1 PHE A 25 -11.207 1.148 -0.504 1.00 14.42 C ATOM 372 CD2 PHE A 25 -9.503 2.815 -0.581 1.00 13.34 C ATOM 373 CE1 PHE A 25 -12.009 1.927 -1.316 1.00 20.11 C ATOM 374 CE2 PHE A 25 -10.301 3.598 -1.393 1.00 22.52 C ATOM 375 CZ PHE A 25 -11.556 3.153 -1.760 1.00 13.04 C ATOM 0 H PHE A 25 -8.520 2.595 2.310 1.00 53.51 H new ATOM 0 HA PHE A 25 -10.580 0.592 2.283 1.00 61.14 H new ATOM 0 HB2 PHE A 25 -8.046 1.085 0.681 1.00 25.32 H new ATOM 0 HB3 PHE A 25 -9.091 -0.291 0.388 1.00 25.32 H new ATOM 0 HD1 PHE A 25 -11.567 0.190 -0.159 1.00 14.42 H new ATOM 0 HD2 PHE A 25 -8.523 3.168 -0.297 1.00 13.34 H new ATOM 0 HE1 PHE A 25 -12.990 1.577 -1.603 1.00 20.11 H new ATOM 0 HE2 PHE A 25 -9.944 4.556 -1.740 1.00 22.52 H new ATOM 0 HZ PHE A 25 -12.182 3.764 -2.394 1.00 13.04 H new ATOM 385 N VAL A 26 -7.719 -0.059 3.660 1.00 63.02 N ATOM 386 CA VAL A 26 -6.964 -1.049 4.420 1.00 52.15 C ATOM 387 C VAL A 26 -7.760 -1.540 5.623 1.00 55.45 C ATOM 388 O VAL A 26 -7.612 -2.683 6.054 1.00 71.33 O ATOM 389 CB VAL A 26 -5.620 -0.477 4.906 1.00 23.35 C ATOM 390 CG1 VAL A 26 -5.119 -1.247 6.119 1.00 61.22 C ATOM 391 CG2 VAL A 26 -4.592 -0.507 3.783 1.00 33.25 C ATOM 0 H VAL A 26 -7.339 0.886 3.704 1.00 63.02 H new ATOM 0 HA VAL A 26 -6.772 -1.886 3.749 1.00 52.15 H new ATOM 0 HB VAL A 26 -5.772 0.561 5.202 1.00 23.35 H new ATOM 0 HG11 VAL A 26 -4.168 -0.828 6.448 1.00 61.22 H new ATOM 0 HG12 VAL A 26 -5.848 -1.170 6.926 1.00 61.22 H new ATOM 0 HG13 VAL A 26 -4.981 -2.295 5.853 1.00 61.22 H new ATOM 0 HG21 VAL A 26 -3.648 -0.099 4.143 1.00 33.25 H new ATOM 0 HG22 VAL A 26 -4.441 -1.535 3.455 1.00 33.25 H new ATOM 0 HG23 VAL A 26 -4.950 0.092 2.946 1.00 33.25 H new ATOM 401 N ASN A 27 -8.606 -0.668 6.164 1.00 60.13 N ATOM 402 CA ASN A 27 -9.426 -1.013 7.319 1.00 43.43 C ATOM 403 C ASN A 27 -10.550 -1.965 6.922 1.00 55.43 C ATOM 404 O ASN A 27 -11.107 -2.671 7.765 1.00 43.22 O ATOM 405 CB ASN A 27 -10.011 0.251 7.950 1.00 51.41 C ATOM 406 CG ASN A 27 -10.212 0.111 9.447 1.00 52.12 C ATOM 407 OD1 ASN A 27 -9.720 0.924 10.229 1.00 10.30 O ATOM 408 ND2 ASN A 27 -10.937 -0.926 9.852 1.00 72.31 N ATOM 0 H ASN A 27 -8.741 0.283 5.820 1.00 60.13 H new ATOM 0 HA ASN A 27 -8.791 -1.514 8.049 1.00 43.43 H new ATOM 0 HB2 ASN A 27 -9.347 1.093 7.753 1.00 51.41 H new ATOM 0 HB3 ASN A 27 -10.966 0.481 7.478 1.00 51.41 H new ATOM 0 HD21 ASN A 27 -11.105 -1.073 10.847 1.00 72.31 H new ATOM 0 HD22 ASN A 27 -11.326 -1.575 9.168 1.00 72.31 H new ATOM 415 N LYS A 28 -10.879 -1.981 5.637 1.00 63.32 N ATOM 416 CA LYS A 28 -11.935 -2.848 5.126 1.00 44.55 C ATOM 417 C LYS A 28 -11.391 -4.235 4.798 1.00 35.04 C ATOM 418 O LYS A 28 -12.020 -5.246 5.103 1.00 52.13 O ATOM 419 CB LYS A 28 -12.572 -2.230 3.879 1.00 42.14 C ATOM 420 CG LYS A 28 -13.604 -1.159 4.189 1.00 63.24 C ATOM 421 CD LYS A 28 -13.050 0.235 3.948 1.00 73.41 C ATOM 422 CE LYS A 28 -13.587 0.832 2.656 1.00 4.30 C ATOM 423 NZ LYS A 28 -14.820 1.637 2.887 1.00 72.43 N ATOM 0 H LYS A 28 -10.429 -1.403 4.927 1.00 63.32 H new ATOM 0 HA LYS A 28 -12.694 -2.950 5.902 1.00 44.55 H new ATOM 0 HB2 LYS A 28 -11.788 -1.798 3.257 1.00 42.14 H new ATOM 0 HB3 LYS A 28 -13.044 -3.019 3.294 1.00 42.14 H new ATOM 0 HG2 LYS A 28 -14.487 -1.313 3.569 1.00 63.24 H new ATOM 0 HG3 LYS A 28 -13.924 -1.250 5.227 1.00 63.24 H new ATOM 0 HD2 LYS A 28 -13.312 0.882 4.785 1.00 73.41 H new ATOM 0 HD3 LYS A 28 -11.962 0.193 3.906 1.00 73.41 H new ATOM 0 HE2 LYS A 28 -12.822 1.462 2.201 1.00 4.30 H new ATOM 0 HE3 LYS A 28 -13.803 0.032 1.948 1.00 4.30 H new ATOM 0 HZ1 LYS A 28 -15.155 2.027 1.983 1.00 72.43 H new ATOM 0 HZ2 LYS A 28 -15.559 1.031 3.297 1.00 72.43 H new ATOM 0 HZ3 LYS A 28 -14.608 2.416 3.542 1.00 72.43 H new ATOM 437 N GLY A 29 -10.216 -4.272 4.178 1.00 23.54 N ATOM 438 CA GLY A 29 -9.606 -5.541 3.822 1.00 24.33 C ATOM 439 C GLY A 29 -9.505 -6.487 5.001 1.00 12.24 C ATOM 440 O GLY A 29 -9.710 -7.693 4.857 1.00 12.21 O ATOM 0 H GLY A 29 -9.676 -3.448 3.916 1.00 23.54 H new ATOM 0 HA2 GLY A 29 -10.190 -6.012 3.031 1.00 24.33 H new ATOM 0 HA3 GLY A 29 -8.610 -5.361 3.418 1.00 24.33 H new ATOM 444 N LEU A 30 -9.187 -5.941 6.169 1.00 51.01 N ATOM 445 CA LEU A 30 -9.057 -6.746 7.379 1.00 22.15 C ATOM 446 C LEU A 30 -10.413 -7.284 7.824 1.00 1.22 C ATOM 447 O LEU A 30 -10.557 -8.470 8.112 1.00 74.14 O ATOM 448 CB LEU A 30 -8.430 -5.918 8.502 1.00 4.42 C ATOM 449 CG LEU A 30 -7.018 -5.391 8.239 1.00 55.32 C ATOM 450 CD1 LEU A 30 -6.757 -4.136 9.058 1.00 11.45 C ATOM 451 CD2 LEU A 30 -5.983 -6.460 8.554 1.00 14.42 C ATOM 0 H LEU A 30 -9.014 -4.945 6.304 1.00 51.01 H new ATOM 0 HA LEU A 30 -8.408 -7.592 7.154 1.00 22.15 H new ATOM 0 HB2 LEU A 30 -9.081 -5.068 8.707 1.00 4.42 H new ATOM 0 HB3 LEU A 30 -8.407 -6.527 9.406 1.00 4.42 H new ATOM 0 HG LEU A 30 -6.936 -5.135 7.183 1.00 55.32 H new ATOM 0 HD11 LEU A 30 -5.748 -3.775 8.859 1.00 11.45 H new ATOM 0 HD12 LEU A 30 -7.479 -3.366 8.784 1.00 11.45 H new ATOM 0 HD13 LEU A 30 -6.857 -4.366 10.119 1.00 11.45 H new ATOM 0 HD21 LEU A 30 -4.984 -6.068 8.361 1.00 14.42 H new ATOM 0 HD22 LEU A 30 -6.064 -6.747 9.602 1.00 14.42 H new ATOM 0 HD23 LEU A 30 -6.158 -7.332 7.924 1.00 14.42 H new ATOM 463 N ASN A 31 -11.406 -6.401 7.876 1.00 31.54 N ATOM 464 CA ASN A 31 -12.751 -6.787 8.285 1.00 74.03 C ATOM 465 C ASN A 31 -13.236 -7.994 7.488 1.00 71.12 C ATOM 466 O ASN A 31 -13.408 -9.084 8.033 1.00 75.02 O ATOM 467 CB ASN A 31 -13.719 -5.616 8.097 1.00 32.53 C ATOM 468 CG ASN A 31 -14.901 -5.686 9.045 1.00 51.04 C ATOM 469 OD1 ASN A 31 -14.794 -5.323 10.216 1.00 33.51 O ATOM 470 ND2 ASN A 31 -16.036 -6.155 8.540 1.00 14.51 N ATOM 0 H ASN A 31 -11.304 -5.414 7.640 1.00 31.54 H new ATOM 0 HA ASN A 31 -12.720 -7.059 9.340 1.00 74.03 H new ATOM 0 HB2 ASN A 31 -13.186 -4.678 8.254 1.00 32.53 H new ATOM 0 HB3 ASN A 31 -14.081 -5.609 7.069 1.00 32.53 H new ATOM 0 HD21 ASN A 31 -16.866 -6.226 9.129 1.00 14.51 H new ATOM 0 HD22 ASN A 31 -16.078 -6.444 7.563 1.00 14.51 H new ATOM 477 N THR A 32 -13.456 -7.792 6.192 1.00 4.54 N ATOM 478 CA THR A 32 -13.922 -8.863 5.319 1.00 14.53 C ATOM 479 C THR A 32 -13.299 -10.199 5.709 1.00 52.43 C ATOM 480 O THR A 32 -14.008 -11.170 5.975 1.00 54.32 O ATOM 481 CB THR A 32 -13.593 -8.567 3.844 1.00 41.33 C ATOM 482 OG1 THR A 32 -12.535 -7.605 3.760 1.00 75.15 O ATOM 483 CG2 THR A 32 -14.820 -8.044 3.112 1.00 44.13 C ATOM 0 H THR A 32 -13.319 -6.896 5.724 1.00 4.54 H new ATOM 0 HA THR A 32 -15.004 -8.921 5.438 1.00 14.53 H new ATOM 0 HB THR A 32 -13.275 -9.497 3.372 1.00 41.33 H new ATOM 0 HG1 THR A 32 -11.734 -7.960 4.199 1.00 75.15 H new ATOM 0 HG21 THR A 32 -14.564 -7.842 2.072 1.00 44.13 H new ATOM 0 HG22 THR A 32 -15.613 -8.790 3.152 1.00 44.13 H new ATOM 0 HG23 THR A 32 -15.163 -7.125 3.587 1.00 44.13 H new ATOM 491 N ASP A 33 -11.973 -10.241 5.740 1.00 31.54 N ATOM 492 CA ASP A 33 -11.255 -11.459 6.099 1.00 54.20 C ATOM 493 C ASP A 33 -11.862 -12.101 7.344 1.00 2.44 C ATOM 494 O ASP A 33 -12.020 -13.319 7.410 1.00 51.14 O ATOM 495 CB ASP A 33 -9.776 -11.153 6.338 1.00 20.34 C ATOM 496 CG ASP A 33 -8.985 -12.386 6.728 1.00 12.23 C ATOM 497 OD1 ASP A 33 -9.136 -12.849 7.879 1.00 3.41 O ATOM 498 OD2 ASP A 33 -8.216 -12.890 5.884 1.00 1.24 O ATOM 0 H ASP A 33 -11.372 -9.446 5.521 1.00 31.54 H new ATOM 0 HA ASP A 33 -11.343 -12.161 5.270 1.00 54.20 H new ATOM 0 HB2 ASP A 33 -9.347 -10.721 5.434 1.00 20.34 H new ATOM 0 HB3 ASP A 33 -9.686 -10.403 7.124 1.00 20.34 H new ATOM 504 N GLU A 34 -12.198 -11.272 8.327 1.00 4.12 N ATOM 505 CA GLU A 34 -12.786 -11.760 9.570 1.00 64.31 C ATOM 506 C GLU A 34 -14.142 -12.409 9.312 1.00 73.25 C ATOM 507 O GLU A 34 -14.486 -13.420 9.926 1.00 72.24 O ATOM 508 CB GLU A 34 -12.939 -10.613 10.571 1.00 63.03 C ATOM 509 CG GLU A 34 -14.360 -10.089 10.684 1.00 42.43 C ATOM 510 CD GLU A 34 -14.482 -8.937 11.662 1.00 55.22 C ATOM 511 OE1 GLU A 34 -15.367 -8.997 12.542 1.00 55.22 O ATOM 512 OE2 GLU A 34 -13.695 -7.975 11.547 1.00 22.14 O ATOM 0 H GLU A 34 -12.074 -10.260 8.287 1.00 4.12 H new ATOM 0 HA GLU A 34 -12.117 -12.512 9.989 1.00 64.31 H new ATOM 0 HB2 GLU A 34 -12.607 -10.952 11.552 1.00 63.03 H new ATOM 0 HB3 GLU A 34 -12.282 -9.795 10.277 1.00 63.03 H new ATOM 0 HG2 GLU A 34 -14.702 -9.764 9.702 1.00 42.43 H new ATOM 0 HG3 GLU A 34 -15.018 -10.899 10.999 1.00 42.43 H new ATOM 520 N LEU A 35 -14.909 -11.821 8.399 1.00 75.51 N ATOM 521 CA LEU A 35 -16.228 -12.342 8.059 1.00 74.43 C ATOM 522 C LEU A 35 -16.114 -13.641 7.267 1.00 73.11 C ATOM 523 O LEU A 35 -16.977 -14.513 7.358 1.00 32.13 O ATOM 524 CB LEU A 35 -17.014 -11.306 7.252 1.00 15.02 C ATOM 525 CG LEU A 35 -17.617 -10.150 8.051 1.00 51.33 C ATOM 526 CD1 LEU A 35 -18.186 -10.652 9.370 1.00 2.40 C ATOM 527 CD2 LEU A 35 -16.574 -9.070 8.295 1.00 44.10 C ATOM 0 H LEU A 35 -14.640 -10.984 7.882 1.00 75.51 H new ATOM 0 HA LEU A 35 -16.760 -12.551 8.987 1.00 74.43 H new ATOM 0 HB2 LEU A 35 -16.353 -10.890 6.491 1.00 15.02 H new ATOM 0 HB3 LEU A 35 -17.821 -11.819 6.728 1.00 15.02 H new ATOM 0 HG LEU A 35 -18.431 -9.717 7.469 1.00 51.33 H new ATOM 0 HD11 LEU A 35 -18.611 -9.815 9.925 1.00 2.40 H new ATOM 0 HD12 LEU A 35 -18.964 -11.389 9.173 1.00 2.40 H new ATOM 0 HD13 LEU A 35 -17.391 -11.111 9.958 1.00 2.40 H new ATOM 0 HD21 LEU A 35 -17.020 -8.255 8.865 1.00 44.10 H new ATOM 0 HD22 LEU A 35 -15.739 -9.490 8.856 1.00 44.10 H new ATOM 0 HD23 LEU A 35 -16.214 -8.689 7.339 1.00 44.10 H new ATOM 539 N GLY A 36 -15.041 -13.763 6.492 1.00 41.33 N ATOM 540 CA GLY A 36 -14.833 -14.959 5.696 1.00 2.44 C ATOM 541 C GLY A 36 -14.726 -14.658 4.214 1.00 32.13 C ATOM 542 O GLY A 36 -14.478 -15.556 3.410 1.00 52.54 O ATOM 0 H GLY A 36 -14.312 -13.055 6.401 1.00 41.33 H new ATOM 0 HA2 GLY A 36 -13.924 -15.459 6.029 1.00 2.44 H new ATOM 0 HA3 GLY A 36 -15.658 -15.652 5.864 1.00 2.44 H new ATOM 546 N GLN A 37 -14.914 -13.393 3.854 1.00 62.05 N ATOM 547 CA GLN A 37 -14.840 -12.979 2.458 1.00 45.33 C ATOM 548 C GLN A 37 -13.390 -12.902 1.989 1.00 50.14 C ATOM 549 O GLN A 37 -12.652 -11.992 2.368 1.00 65.34 O ATOM 550 CB GLN A 37 -15.521 -11.623 2.270 1.00 51.01 C ATOM 551 CG GLN A 37 -16.567 -11.314 3.330 1.00 64.13 C ATOM 552 CD GLN A 37 -17.661 -10.397 2.821 1.00 22.51 C ATOM 553 OE1 GLN A 37 -18.313 -10.687 1.818 1.00 1.21 O ATOM 554 NE2 GLN A 37 -17.869 -9.283 3.512 1.00 4.03 N ATOM 0 H GLN A 37 -15.118 -12.638 4.508 1.00 62.05 H new ATOM 0 HA GLN A 37 -15.359 -13.725 1.856 1.00 45.33 H new ATOM 0 HB2 GLN A 37 -14.762 -10.840 2.281 1.00 51.01 H new ATOM 0 HB3 GLN A 37 -15.992 -11.596 1.288 1.00 51.01 H new ATOM 0 HG2 GLN A 37 -17.012 -12.246 3.678 1.00 64.13 H new ATOM 0 HG3 GLN A 37 -16.082 -10.852 4.190 1.00 64.13 H new ATOM 0 HE21 GLN A 37 -17.305 -9.082 4.338 1.00 4.03 H new ATOM 0 HE22 GLN A 37 -18.593 -8.628 3.217 1.00 4.03 H new ATOM 563 N LYS A 38 -12.989 -13.863 1.163 1.00 51.42 N ATOM 564 CA LYS A 38 -11.629 -13.904 0.642 1.00 25.11 C ATOM 565 C LYS A 38 -11.515 -13.097 -0.648 1.00 62.45 C ATOM 566 O LYS A 38 -10.679 -12.201 -0.758 1.00 5.41 O ATOM 567 CB LYS A 38 -11.202 -15.352 0.389 1.00 32.54 C ATOM 568 CG LYS A 38 -11.391 -16.260 1.591 1.00 74.53 C ATOM 569 CD LYS A 38 -10.473 -15.869 2.738 1.00 45.53 C ATOM 570 CE LYS A 38 -10.918 -16.499 4.048 1.00 32.11 C ATOM 571 NZ LYS A 38 -10.055 -17.651 4.430 1.00 42.43 N ATOM 0 H LYS A 38 -13.587 -14.624 0.840 1.00 51.42 H new ATOM 0 HA LYS A 38 -10.968 -13.461 1.387 1.00 25.11 H new ATOM 0 HB2 LYS A 38 -11.774 -15.749 -0.450 1.00 32.54 H new ATOM 0 HB3 LYS A 38 -10.153 -15.366 0.095 1.00 32.54 H new ATOM 0 HG2 LYS A 38 -12.428 -16.214 1.923 1.00 74.53 H new ATOM 0 HG3 LYS A 38 -11.194 -17.292 1.302 1.00 74.53 H new ATOM 0 HD2 LYS A 38 -9.453 -16.180 2.511 1.00 45.53 H new ATOM 0 HD3 LYS A 38 -10.460 -14.784 2.841 1.00 45.53 H new ATOM 0 HE2 LYS A 38 -10.894 -15.749 4.839 1.00 32.11 H new ATOM 0 HE3 LYS A 38 -11.951 -16.833 3.958 1.00 32.11 H new ATOM 0 HZ1 LYS A 38 -10.391 -18.053 5.328 1.00 42.43 H new ATOM 0 HZ2 LYS A 38 -10.098 -18.378 3.688 1.00 42.43 H new ATOM 0 HZ3 LYS A 38 -9.073 -17.327 4.541 1.00 42.43 H new ATOM 585 N GLU A 39 -12.361 -13.423 -1.621 1.00 52.50 N ATOM 586 CA GLU A 39 -12.356 -12.726 -2.902 1.00 32.11 C ATOM 587 C GLU A 39 -12.443 -11.216 -2.700 1.00 61.35 C ATOM 588 O GLU A 39 -11.711 -10.453 -3.327 1.00 21.23 O ATOM 589 CB GLU A 39 -13.519 -13.205 -3.774 1.00 34.33 C ATOM 590 CG GLU A 39 -14.880 -12.755 -3.272 1.00 52.50 C ATOM 591 CD GLU A 39 -16.020 -13.295 -4.113 1.00 62.40 C ATOM 592 OE1 GLU A 39 -15.834 -14.349 -4.756 1.00 24.45 O ATOM 593 OE2 GLU A 39 -17.096 -12.664 -4.131 1.00 73.04 O ATOM 0 H GLU A 39 -13.058 -14.164 -1.546 1.00 52.50 H new ATOM 0 HA GLU A 39 -11.417 -12.953 -3.407 1.00 32.11 H new ATOM 0 HB2 GLU A 39 -13.376 -12.837 -4.790 1.00 34.33 H new ATOM 0 HB3 GLU A 39 -13.501 -14.294 -3.823 1.00 34.33 H new ATOM 0 HG2 GLU A 39 -15.009 -13.082 -2.240 1.00 52.50 H new ATOM 0 HG3 GLU A 39 -14.920 -11.666 -3.269 1.00 52.50 H new ATOM 601 N GLU A 40 -13.348 -10.794 -1.823 1.00 63.21 N ATOM 602 CA GLU A 40 -13.534 -9.375 -1.542 1.00 34.43 C ATOM 603 C GLU A 40 -12.321 -8.802 -0.814 1.00 43.34 C ATOM 604 O GLU A 40 -11.767 -7.781 -1.220 1.00 3.13 O ATOM 605 CB GLU A 40 -14.795 -9.160 -0.701 1.00 32.04 C ATOM 606 CG GLU A 40 -15.991 -8.684 -1.508 1.00 35.44 C ATOM 607 CD GLU A 40 -17.129 -8.199 -0.631 1.00 60.13 C ATOM 608 OE1 GLU A 40 -17.684 -7.119 -0.925 1.00 72.30 O ATOM 609 OE2 GLU A 40 -17.464 -8.897 0.348 1.00 71.53 O ATOM 0 H GLU A 40 -13.963 -11.413 -1.295 1.00 63.21 H new ATOM 0 HA GLU A 40 -13.646 -8.854 -2.493 1.00 34.43 H new ATOM 0 HB2 GLU A 40 -15.053 -10.094 -0.202 1.00 32.04 H new ATOM 0 HB3 GLU A 40 -14.581 -8.430 0.080 1.00 32.04 H new ATOM 0 HG2 GLU A 40 -15.679 -7.878 -2.172 1.00 35.44 H new ATOM 0 HG3 GLU A 40 -16.346 -9.498 -2.140 1.00 35.44 H new ATOM 617 N ALA A 41 -11.914 -9.466 0.262 1.00 73.52 N ATOM 618 CA ALA A 41 -10.766 -9.024 1.044 1.00 53.34 C ATOM 619 C ALA A 41 -9.593 -8.661 0.141 1.00 62.22 C ATOM 620 O ALA A 41 -9.068 -7.549 0.205 1.00 74.04 O ATOM 621 CB ALA A 41 -10.358 -10.103 2.037 1.00 24.02 C ATOM 0 H ALA A 41 -12.362 -10.313 0.613 1.00 73.52 H new ATOM 0 HA ALA A 41 -11.055 -8.129 1.595 1.00 53.34 H new ATOM 0 HB1 ALA A 41 -9.500 -9.760 2.615 1.00 24.02 H new ATOM 0 HB2 ALA A 41 -11.189 -10.310 2.711 1.00 24.02 H new ATOM 0 HB3 ALA A 41 -10.093 -11.012 1.498 1.00 24.02 H new ATOM 627 N LYS A 42 -9.187 -9.605 -0.701 1.00 33.31 N ATOM 628 CA LYS A 42 -8.074 -9.386 -1.618 1.00 1.41 C ATOM 629 C LYS A 42 -8.271 -8.097 -2.411 1.00 21.52 C ATOM 630 O LYS A 42 -7.362 -7.276 -2.513 1.00 24.12 O ATOM 631 CB LYS A 42 -7.934 -10.570 -2.575 1.00 42.21 C ATOM 632 CG LYS A 42 -6.822 -11.532 -2.195 1.00 24.40 C ATOM 633 CD LYS A 42 -7.169 -12.963 -2.572 1.00 21.23 C ATOM 634 CE LYS A 42 -7.357 -13.114 -4.074 1.00 53.10 C ATOM 635 NZ LYS A 42 -8.797 -13.131 -4.454 1.00 12.44 N ATOM 0 H LYS A 42 -9.612 -10.530 -0.768 1.00 33.31 H new ATOM 0 HA LYS A 42 -7.162 -9.295 -1.029 1.00 1.41 H new ATOM 0 HB2 LYS A 42 -8.878 -11.114 -2.607 1.00 42.21 H new ATOM 0 HB3 LYS A 42 -7.749 -10.193 -3.581 1.00 42.21 H new ATOM 0 HG2 LYS A 42 -5.899 -11.237 -2.694 1.00 24.40 H new ATOM 0 HG3 LYS A 42 -6.638 -11.472 -1.122 1.00 24.40 H new ATOM 0 HD2 LYS A 42 -6.377 -13.632 -2.234 1.00 21.23 H new ATOM 0 HD3 LYS A 42 -8.082 -13.265 -2.058 1.00 21.23 H new ATOM 0 HE2 LYS A 42 -6.856 -12.293 -4.587 1.00 53.10 H new ATOM 0 HE3 LYS A 42 -6.882 -14.036 -4.408 1.00 53.10 H new ATOM 0 HZ1 LYS A 42 -8.903 -13.563 -5.394 1.00 12.44 H new ATOM 0 HZ2 LYS A 42 -9.334 -13.685 -3.756 1.00 12.44 H new ATOM 0 HZ3 LYS A 42 -9.161 -12.157 -4.477 1.00 12.44 H new ATOM 649 N ASN A 43 -9.465 -7.928 -2.971 1.00 30.32 N ATOM 650 CA ASN A 43 -9.780 -6.739 -3.755 1.00 71.13 C ATOM 651 C ASN A 43 -9.518 -5.471 -2.949 1.00 75.12 C ATOM 652 O ASN A 43 -8.859 -4.547 -3.423 1.00 63.11 O ATOM 653 CB ASN A 43 -11.241 -6.776 -4.209 1.00 10.21 C ATOM 654 CG ASN A 43 -11.760 -5.404 -4.594 1.00 54.21 C ATOM 655 OD1 ASN A 43 -11.103 -4.660 -5.321 1.00 1.40 O ATOM 656 ND2 ASN A 43 -12.948 -5.063 -4.105 1.00 22.13 N ATOM 0 H ASN A 43 -10.230 -8.599 -2.896 1.00 30.32 H new ATOM 0 HA ASN A 43 -9.133 -6.730 -4.632 1.00 71.13 H new ATOM 0 HB2 ASN A 43 -11.338 -7.450 -5.060 1.00 10.21 H new ATOM 0 HB3 ASN A 43 -11.858 -7.183 -3.408 1.00 10.21 H new ATOM 0 HD21 ASN A 43 -13.350 -4.153 -4.329 1.00 22.13 H new ATOM 0 HD22 ASN A 43 -13.458 -5.712 -3.506 1.00 22.13 H new ATOM 663 N TYR A 44 -10.039 -5.435 -1.727 1.00 30.24 N ATOM 664 CA TYR A 44 -9.862 -4.281 -0.854 1.00 24.02 C ATOM 665 C TYR A 44 -8.392 -3.886 -0.765 1.00 13.14 C ATOM 666 O TYR A 44 -8.054 -2.700 -0.742 1.00 54.55 O ATOM 667 CB TYR A 44 -10.406 -4.582 0.543 1.00 71.33 C ATOM 668 CG TYR A 44 -11.897 -4.365 0.671 1.00 10.20 C ATOM 669 CD1 TYR A 44 -12.420 -3.094 0.881 1.00 20.25 C ATOM 670 CD2 TYR A 44 -12.784 -5.431 0.584 1.00 43.25 C ATOM 671 CE1 TYR A 44 -13.780 -2.891 0.999 1.00 75.04 C ATOM 672 CE2 TYR A 44 -14.147 -5.237 0.700 1.00 65.14 C ATOM 673 CZ TYR A 44 -14.640 -3.966 0.907 1.00 51.41 C ATOM 674 OH TYR A 44 -15.996 -3.769 1.025 1.00 43.12 O ATOM 0 H TYR A 44 -10.587 -6.192 -1.319 1.00 30.24 H new ATOM 0 HA TYR A 44 -10.419 -3.447 -1.281 1.00 24.02 H new ATOM 0 HB2 TYR A 44 -10.174 -5.616 0.799 1.00 71.33 H new ATOM 0 HB3 TYR A 44 -9.892 -3.951 1.268 1.00 71.33 H new ATOM 0 HD1 TYR A 44 -11.750 -2.250 0.953 1.00 20.25 H new ATOM 0 HD2 TYR A 44 -12.402 -6.428 0.423 1.00 43.25 H new ATOM 0 HE1 TYR A 44 -14.169 -1.897 1.162 1.00 75.04 H new ATOM 0 HE2 TYR A 44 -14.823 -6.076 0.629 1.00 65.14 H new ATOM 0 HH TYR A 44 -16.460 -4.627 0.936 1.00 43.12 H new ATOM 684 N TYR A 45 -7.519 -4.886 -0.715 1.00 4.34 N ATOM 685 CA TYR A 45 -6.083 -4.644 -0.626 1.00 4.30 C ATOM 686 C TYR A 45 -5.534 -4.130 -1.952 1.00 4.43 C ATOM 687 O TYR A 45 -4.644 -3.281 -1.983 1.00 12.22 O ATOM 688 CB TYR A 45 -5.354 -5.926 -0.221 1.00 21.20 C ATOM 689 CG TYR A 45 -5.642 -6.366 1.196 1.00 51.41 C ATOM 690 CD1 TYR A 45 -5.480 -5.490 2.263 1.00 72.51 C ATOM 691 CD2 TYR A 45 -6.079 -7.656 1.468 1.00 31.55 C ATOM 692 CE1 TYR A 45 -5.742 -5.888 3.560 1.00 63.01 C ATOM 693 CE2 TYR A 45 -6.344 -8.063 2.762 1.00 52.50 C ATOM 694 CZ TYR A 45 -6.173 -7.175 3.804 1.00 54.44 C ATOM 695 OH TYR A 45 -6.438 -7.575 5.095 1.00 62.55 O ATOM 0 H TYR A 45 -7.780 -5.872 -0.735 1.00 4.34 H new ATOM 0 HA TYR A 45 -5.915 -3.882 0.135 1.00 4.30 H new ATOM 0 HB2 TYR A 45 -5.637 -6.726 -0.905 1.00 21.20 H new ATOM 0 HB3 TYR A 45 -4.281 -5.774 -0.334 1.00 21.20 H new ATOM 0 HD1 TYR A 45 -5.144 -4.481 2.075 1.00 72.51 H new ATOM 0 HD2 TYR A 45 -6.214 -8.353 0.654 1.00 31.55 H new ATOM 0 HE1 TYR A 45 -5.610 -5.195 4.378 1.00 63.01 H new ATOM 0 HE2 TYR A 45 -6.683 -9.070 2.956 1.00 52.50 H new ATOM 0 HH TYR A 45 -6.733 -8.510 5.094 1.00 62.55 H new ATOM 705 N LYS A 46 -6.073 -4.650 -3.050 1.00 71.31 N ATOM 706 CA LYS A 46 -5.640 -4.244 -4.382 1.00 44.43 C ATOM 707 C LYS A 46 -6.020 -2.794 -4.659 1.00 4.42 C ATOM 708 O LYS A 46 -5.557 -2.196 -5.630 1.00 43.25 O ATOM 709 CB LYS A 46 -6.261 -5.157 -5.443 1.00 14.04 C ATOM 710 CG LYS A 46 -5.427 -6.388 -5.750 1.00 51.14 C ATOM 711 CD LYS A 46 -6.032 -7.206 -6.879 1.00 3.51 C ATOM 712 CE LYS A 46 -5.857 -8.696 -6.645 1.00 75.12 C ATOM 713 NZ LYS A 46 -5.800 -9.457 -7.924 1.00 53.45 N ATOM 0 H LYS A 46 -6.811 -5.354 -3.043 1.00 71.31 H new ATOM 0 HA LYS A 46 -4.554 -4.331 -4.426 1.00 44.43 H new ATOM 0 HB2 LYS A 46 -7.248 -5.472 -5.106 1.00 14.04 H new ATOM 0 HB3 LYS A 46 -6.405 -4.588 -6.361 1.00 14.04 H new ATOM 0 HG2 LYS A 46 -4.416 -6.085 -6.021 1.00 51.14 H new ATOM 0 HG3 LYS A 46 -5.346 -7.006 -4.855 1.00 51.14 H new ATOM 0 HD2 LYS A 46 -7.093 -6.973 -6.970 1.00 3.51 H new ATOM 0 HD3 LYS A 46 -5.563 -6.928 -7.823 1.00 3.51 H new ATOM 0 HE2 LYS A 46 -4.942 -8.869 -6.079 1.00 75.12 H new ATOM 0 HE3 LYS A 46 -6.683 -9.067 -6.038 1.00 75.12 H new ATOM 0 HZ1 LYS A 46 -5.680 -10.470 -7.720 1.00 53.45 H new ATOM 0 HZ2 LYS A 46 -6.683 -9.313 -8.454 1.00 53.45 H new ATOM 0 HZ3 LYS A 46 -4.997 -9.121 -8.493 1.00 53.45 H new ATOM 727 N GLN A 47 -6.864 -2.233 -3.798 1.00 43.23 N ATOM 728 CA GLN A 47 -7.304 -0.851 -3.952 1.00 15.44 C ATOM 729 C GLN A 47 -6.409 0.097 -3.160 1.00 0.11 C ATOM 730 O GLN A 47 -5.804 1.008 -3.722 1.00 1.44 O ATOM 731 CB GLN A 47 -8.756 -0.703 -3.493 1.00 14.14 C ATOM 732 CG GLN A 47 -9.761 -1.339 -4.439 1.00 52.23 C ATOM 733 CD GLN A 47 -11.134 -0.704 -4.345 1.00 43.54 C ATOM 734 OE1 GLN A 47 -11.441 0.246 -5.067 1.00 2.13 O ATOM 735 NE2 GLN A 47 -11.970 -1.224 -3.455 1.00 71.33 N ATOM 0 H GLN A 47 -7.256 -2.713 -2.988 1.00 43.23 H new ATOM 0 HA GLN A 47 -7.235 -0.589 -5.008 1.00 15.44 H new ATOM 0 HB2 GLN A 47 -8.864 -1.153 -2.506 1.00 14.14 H new ATOM 0 HB3 GLN A 47 -8.989 0.357 -3.388 1.00 14.14 H new ATOM 0 HG2 GLN A 47 -9.395 -1.254 -5.462 1.00 52.23 H new ATOM 0 HG3 GLN A 47 -9.841 -2.403 -4.216 1.00 52.23 H new ATOM 0 HE21 GLN A 47 -11.675 -2.011 -2.877 1.00 71.33 H new ATOM 0 HE22 GLN A 47 -12.908 -0.837 -3.349 1.00 71.33 H new ATOM 744 N GLY A 48 -6.330 -0.126 -1.851 1.00 44.22 N ATOM 745 CA GLY A 48 -5.506 0.717 -1.004 1.00 50.43 C ATOM 746 C GLY A 48 -4.038 0.649 -1.370 1.00 63.25 C ATOM 747 O GLY A 48 -3.341 1.663 -1.359 1.00 12.22 O ATOM 0 H GLY A 48 -6.821 -0.875 -1.363 1.00 44.22 H new ATOM 0 HA2 GLY A 48 -5.849 1.749 -1.081 1.00 50.43 H new ATOM 0 HA3 GLY A 48 -5.632 0.416 0.036 1.00 50.43 H new ATOM 751 N ILE A 49 -3.566 -0.550 -1.695 1.00 62.55 N ATOM 752 CA ILE A 49 -2.170 -0.746 -2.066 1.00 21.51 C ATOM 753 C ILE A 49 -1.684 0.367 -2.990 1.00 53.05 C ATOM 754 O ILE A 49 -0.624 0.950 -2.770 1.00 4.23 O ATOM 755 CB ILE A 49 -1.958 -2.104 -2.762 1.00 32.13 C ATOM 756 CG1 ILE A 49 -1.503 -3.157 -1.748 1.00 15.43 C ATOM 757 CG2 ILE A 49 -0.940 -1.970 -3.885 1.00 42.14 C ATOM 758 CD1 ILE A 49 -2.065 -4.536 -2.014 1.00 4.10 C ATOM 0 H ILE A 49 -4.130 -1.400 -1.709 1.00 62.55 H new ATOM 0 HA ILE A 49 -1.593 -0.726 -1.142 1.00 21.51 H new ATOM 0 HB ILE A 49 -2.906 -2.426 -3.192 1.00 32.13 H new ATOM 0 HG12 ILE A 49 -0.414 -3.210 -1.755 1.00 15.43 H new ATOM 0 HG13 ILE A 49 -1.800 -2.839 -0.749 1.00 15.43 H new ATOM 0 HG21 ILE A 49 -0.801 -2.938 -4.367 1.00 42.14 H new ATOM 0 HG22 ILE A 49 -1.300 -1.248 -4.618 1.00 42.14 H new ATOM 0 HG23 ILE A 49 0.011 -1.629 -3.475 1.00 42.14 H new ATOM 0 HD11 ILE A 49 -1.700 -5.230 -1.257 1.00 4.10 H new ATOM 0 HD12 ILE A 49 -3.154 -4.498 -1.978 1.00 4.10 H new ATOM 0 HD13 ILE A 49 -1.746 -4.875 -3.000 1.00 4.10 H new ATOM 770 N GLY A 50 -2.471 0.655 -4.023 1.00 23.03 N ATOM 771 CA GLY A 50 -2.104 1.699 -4.964 1.00 34.21 C ATOM 772 C GLY A 50 -2.003 3.061 -4.306 1.00 10.34 C ATOM 773 O GLY A 50 -1.131 3.859 -4.650 1.00 10.54 O ATOM 0 H GLY A 50 -3.354 0.186 -4.225 1.00 23.03 H new ATOM 0 HA2 GLY A 50 -1.148 1.449 -5.425 1.00 34.21 H new ATOM 0 HA3 GLY A 50 -2.843 1.739 -5.764 1.00 34.21 H new ATOM 777 N HIS A 51 -2.897 3.329 -3.360 1.00 62.34 N ATOM 778 CA HIS A 51 -2.906 4.605 -2.655 1.00 74.03 C ATOM 779 C HIS A 51 -1.690 4.728 -1.740 1.00 44.24 C ATOM 780 O HIS A 51 -1.112 5.806 -1.601 1.00 33.44 O ATOM 781 CB HIS A 51 -4.189 4.753 -1.838 1.00 75.55 C ATOM 782 CG HIS A 51 -5.377 5.156 -2.656 1.00 24.11 C ATOM 783 ND1 HIS A 51 -5.675 6.469 -2.953 1.00 13.12 N ATOM 784 CD2 HIS A 51 -6.342 4.410 -3.242 1.00 41.03 C ATOM 785 CE1 HIS A 51 -6.774 6.514 -3.686 1.00 75.33 C ATOM 786 NE2 HIS A 51 -7.198 5.277 -3.875 1.00 22.10 N ATOM 0 H HIS A 51 -3.625 2.679 -3.064 1.00 62.34 H new ATOM 0 HA HIS A 51 -2.864 5.402 -3.398 1.00 74.03 H new ATOM 0 HB2 HIS A 51 -4.405 3.807 -1.341 1.00 75.55 H new ATOM 0 HB3 HIS A 51 -4.028 5.495 -1.056 1.00 75.55 H new ATOM 0 HD2 HIS A 51 -6.424 3.333 -3.217 1.00 41.03 H new ATOM 0 HE1 HIS A 51 -7.245 7.409 -4.065 1.00 75.33 H new ATOM 0 HE2 HIS A 51 -8.027 5.009 -4.405 1.00 22.10 H new ATOM 795 N LEU A 52 -1.308 3.618 -1.118 1.00 60.23 N ATOM 796 CA LEU A 52 -0.162 3.601 -0.217 1.00 60.23 C ATOM 797 C LEU A 52 1.073 4.184 -0.896 1.00 20.23 C ATOM 798 O LEU A 52 1.619 5.196 -0.453 1.00 42.32 O ATOM 799 CB LEU A 52 0.125 2.173 0.248 1.00 43.42 C ATOM 800 CG LEU A 52 -0.615 1.714 1.505 1.00 4.32 C ATOM 801 CD1 LEU A 52 -0.321 0.251 1.795 1.00 32.22 C ATOM 802 CD2 LEU A 52 -0.233 2.583 2.695 1.00 11.45 C ATOM 0 H LEU A 52 -1.776 2.718 -1.222 1.00 60.23 H new ATOM 0 HA LEU A 52 -0.403 4.217 0.649 1.00 60.23 H new ATOM 0 HB2 LEU A 52 -0.124 1.491 -0.565 1.00 43.42 H new ATOM 0 HB3 LEU A 52 1.196 2.079 0.427 1.00 43.42 H new ATOM 0 HG LEU A 52 -1.686 1.819 1.331 1.00 4.32 H new ATOM 0 HD11 LEU A 52 -0.857 -0.057 2.693 1.00 32.22 H new ATOM 0 HD12 LEU A 52 -0.645 -0.359 0.952 1.00 32.22 H new ATOM 0 HD13 LEU A 52 0.750 0.119 1.948 1.00 32.22 H new ATOM 0 HD21 LEU A 52 -0.769 2.242 3.581 1.00 11.45 H new ATOM 0 HD22 LEU A 52 0.840 2.510 2.869 1.00 11.45 H new ATOM 0 HD23 LEU A 52 -0.497 3.620 2.488 1.00 11.45 H new ATOM 814 N LEU A 53 1.509 3.543 -1.974 1.00 64.13 N ATOM 815 CA LEU A 53 2.678 3.999 -2.717 1.00 71.21 C ATOM 816 C LEU A 53 2.521 5.456 -3.138 1.00 3.02 C ATOM 817 O LEU A 53 3.462 6.245 -3.041 1.00 5.33 O ATOM 818 CB LEU A 53 2.899 3.121 -3.950 1.00 53.33 C ATOM 819 CG LEU A 53 3.249 1.658 -3.678 1.00 33.40 C ATOM 820 CD1 LEU A 53 3.142 0.838 -4.954 1.00 74.43 C ATOM 821 CD2 LEU A 53 4.646 1.545 -3.085 1.00 41.42 C ATOM 0 H LEU A 53 1.070 2.704 -2.354 1.00 64.13 H new ATOM 0 HA LEU A 53 3.546 3.920 -2.063 1.00 71.21 H new ATOM 0 HB2 LEU A 53 1.995 3.150 -4.559 1.00 53.33 H new ATOM 0 HB3 LEU A 53 3.699 3.561 -4.546 1.00 53.33 H new ATOM 0 HG LEU A 53 2.536 1.262 -2.955 1.00 33.40 H new ATOM 0 HD11 LEU A 53 3.395 -0.201 -4.741 1.00 74.43 H new ATOM 0 HD12 LEU A 53 2.123 0.892 -5.337 1.00 74.43 H new ATOM 0 HD13 LEU A 53 3.832 1.234 -5.700 1.00 74.43 H new ATOM 0 HD21 LEU A 53 4.878 0.497 -2.898 1.00 41.42 H new ATOM 0 HD22 LEU A 53 5.373 1.958 -3.784 1.00 41.42 H new ATOM 0 HD23 LEU A 53 4.689 2.099 -2.147 1.00 41.42 H new ATOM 833 N ARG A 54 1.327 5.807 -3.603 1.00 3.53 N ATOM 834 CA ARG A 54 1.046 7.171 -4.038 1.00 15.20 C ATOM 835 C ARG A 54 1.720 8.184 -3.117 1.00 60.20 C ATOM 836 O ARG A 54 2.356 9.132 -3.578 1.00 63.24 O ATOM 837 CB ARG A 54 -0.463 7.419 -4.069 1.00 74.03 C ATOM 838 CG ARG A 54 -0.896 8.407 -5.140 1.00 75.22 C ATOM 839 CD ARG A 54 -1.597 7.706 -6.294 1.00 21.52 C ATOM 840 NE ARG A 54 -0.660 6.957 -7.127 1.00 64.03 N ATOM 841 CZ ARG A 54 0.040 7.501 -8.116 1.00 74.32 C ATOM 842 NH1 ARG A 54 -0.087 8.790 -8.392 1.00 3.35 N ATOM 843 NH2 ARG A 54 0.872 6.753 -8.831 1.00 12.24 N ATOM 0 H ARG A 54 0.538 5.166 -3.689 1.00 3.53 H new ATOM 0 HA ARG A 54 1.448 7.295 -5.044 1.00 15.20 H new ATOM 0 HB2 ARG A 54 -0.975 6.471 -4.233 1.00 74.03 H new ATOM 0 HB3 ARG A 54 -0.782 7.789 -3.095 1.00 74.03 H new ATOM 0 HG2 ARG A 54 -1.565 9.149 -4.703 1.00 75.22 H new ATOM 0 HG3 ARG A 54 -0.025 8.944 -5.515 1.00 75.22 H new ATOM 0 HD2 ARG A 54 -2.355 7.028 -5.901 1.00 21.52 H new ATOM 0 HD3 ARG A 54 -2.116 8.444 -6.905 1.00 21.52 H new ATOM 0 HE ARG A 54 -0.536 5.962 -6.939 1.00 64.03 H new ATOM 0 HH11 ARG A 54 -0.724 9.368 -7.844 1.00 3.35 H new ATOM 0 HH12 ARG A 54 0.452 9.204 -9.152 1.00 3.35 H new ATOM 0 HH21 ARG A 54 0.974 5.760 -8.621 1.00 12.24 H new ATOM 0 HH22 ARG A 54 1.409 7.171 -9.590 1.00 12.24 H new ATOM 857 N GLY A 55 1.576 7.978 -1.812 1.00 42.21 N ATOM 858 CA GLY A 55 2.175 8.882 -0.847 1.00 34.10 C ATOM 859 C GLY A 55 3.647 8.599 -0.624 1.00 21.43 C ATOM 860 O GLY A 55 4.430 9.514 -0.366 1.00 40.04 O ATOM 0 H GLY A 55 1.055 7.201 -1.405 1.00 42.21 H new ATOM 0 HA2 GLY A 55 2.054 9.909 -1.192 1.00 34.10 H new ATOM 0 HA3 GLY A 55 1.644 8.799 0.102 1.00 34.10 H new ATOM 864 N ILE A 56 4.026 7.330 -0.724 1.00 41.12 N ATOM 865 CA ILE A 56 5.415 6.930 -0.531 1.00 71.53 C ATOM 866 C ILE A 56 6.220 7.102 -1.815 1.00 73.15 C ATOM 867 O ILE A 56 7.401 6.763 -1.868 1.00 24.13 O ATOM 868 CB ILE A 56 5.519 5.466 -0.065 1.00 40.24 C ATOM 869 CG1 ILE A 56 4.582 5.216 1.117 1.00 54.32 C ATOM 870 CG2 ILE A 56 6.955 5.131 0.310 1.00 71.44 C ATOM 871 CD1 ILE A 56 3.817 3.915 1.018 1.00 42.23 C ATOM 0 H ILE A 56 3.391 6.561 -0.938 1.00 41.12 H new ATOM 0 HA ILE A 56 5.826 7.579 0.242 1.00 71.53 H new ATOM 0 HB ILE A 56 5.217 4.816 -0.887 1.00 40.24 H new ATOM 0 HG12 ILE A 56 5.165 5.216 2.038 1.00 54.32 H new ATOM 0 HG13 ILE A 56 3.873 6.041 1.188 1.00 54.32 H new ATOM 0 HG21 ILE A 56 7.013 4.093 0.637 1.00 71.44 H new ATOM 0 HG22 ILE A 56 7.600 5.275 -0.557 1.00 71.44 H new ATOM 0 HG23 ILE A 56 7.282 5.785 1.118 1.00 71.44 H new ATOM 0 HD11 ILE A 56 3.173 3.804 1.890 1.00 42.23 H new ATOM 0 HD12 ILE A 56 3.207 3.919 0.115 1.00 42.23 H new ATOM 0 HD13 ILE A 56 4.519 3.082 0.978 1.00 42.23 H new ATOM 883 N SER A 57 5.570 7.632 -2.847 1.00 22.43 N ATOM 884 CA SER A 57 6.226 7.848 -4.131 1.00 73.23 C ATOM 885 C SER A 57 6.215 9.327 -4.505 1.00 35.11 C ATOM 886 O SER A 57 5.911 9.690 -5.641 1.00 0.05 O ATOM 887 CB SER A 57 5.535 7.030 -5.224 1.00 71.33 C ATOM 888 OG SER A 57 6.209 7.161 -6.463 1.00 61.12 O ATOM 0 H SER A 57 4.592 7.919 -2.819 1.00 22.43 H new ATOM 0 HA SER A 57 7.262 7.521 -4.041 1.00 73.23 H new ATOM 0 HB2 SER A 57 5.505 5.980 -4.932 1.00 71.33 H new ATOM 0 HB3 SER A 57 4.502 7.361 -5.332 1.00 71.33 H new ATOM 0 HG SER A 57 6.293 8.110 -6.691 1.00 61.12 H new ATOM 894 N ILE A 58 6.550 10.177 -3.540 1.00 20.44 N ATOM 895 CA ILE A 58 6.582 11.616 -3.766 1.00 44.20 C ATOM 896 C ILE A 58 8.010 12.150 -3.726 1.00 73.42 C ATOM 897 O ILE A 58 8.899 11.530 -3.140 1.00 72.55 O ATOM 898 CB ILE A 58 5.737 12.369 -2.721 1.00 41.44 C ATOM 899 CG1 ILE A 58 4.404 11.649 -2.496 1.00 22.24 C ATOM 900 CG2 ILE A 58 5.500 13.804 -3.166 1.00 73.04 C ATOM 901 CD1 ILE A 58 3.478 11.708 -3.690 1.00 61.43 C ATOM 0 H ILE A 58 6.803 9.893 -2.594 1.00 20.44 H new ATOM 0 HA ILE A 58 6.161 11.787 -4.757 1.00 44.20 H new ATOM 0 HB ILE A 58 6.284 12.387 -1.778 1.00 41.44 H new ATOM 0 HG12 ILE A 58 4.601 10.606 -2.250 1.00 22.24 H new ATOM 0 HG13 ILE A 58 3.902 12.091 -1.635 1.00 22.24 H new ATOM 0 HG21 ILE A 58 4.902 14.323 -2.417 1.00 73.04 H new ATOM 0 HG22 ILE A 58 6.457 14.312 -3.281 1.00 73.04 H new ATOM 0 HG23 ILE A 58 4.971 13.807 -4.119 1.00 73.04 H new ATOM 0 HD11 ILE A 58 2.554 11.178 -3.460 1.00 61.43 H new ATOM 0 HD12 ILE A 58 3.251 12.748 -3.924 1.00 61.43 H new ATOM 0 HD13 ILE A 58 3.961 11.240 -4.548 1.00 61.43 H new ATOM 1060 N TRP A 70 5.674 20.416 6.415 1.00 42.22 N ATOM 1061 CA TRP A 70 6.101 19.137 5.855 1.00 41.50 C ATOM 1062 C TRP A 70 6.355 18.118 6.960 1.00 63.04 C ATOM 1063 O TRP A 70 6.489 16.925 6.695 1.00 64.53 O ATOM 1064 CB TRP A 70 7.365 19.323 5.014 1.00 12.21 C ATOM 1065 CG TRP A 70 7.084 19.753 3.606 1.00 45.41 C ATOM 1066 CD1 TRP A 70 6.863 21.028 3.167 1.00 73.32 C ATOM 1067 CD2 TRP A 70 6.991 18.908 2.454 1.00 44.31 C ATOM 1068 NE1 TRP A 70 6.639 21.025 1.811 1.00 3.52 N ATOM 1069 CE2 TRP A 70 6.712 19.738 1.349 1.00 35.23 C ATOM 1070 CE3 TRP A 70 7.117 17.532 2.246 1.00 33.14 C ATOM 1071 CZ2 TRP A 70 6.558 19.235 0.062 1.00 44.15 C ATOM 1072 CZ3 TRP A 70 6.963 17.034 0.967 1.00 55.33 C ATOM 1073 CH2 TRP A 70 6.686 17.885 -0.113 1.00 73.33 C ATOM 0 HA TRP A 70 5.301 18.761 5.217 1.00 41.50 H new ATOM 0 HB2 TRP A 70 8.005 20.065 5.492 1.00 12.21 H new ATOM 0 HB3 TRP A 70 7.922 18.386 4.996 1.00 12.21 H new ATOM 0 HD1 TRP A 70 6.864 21.908 3.793 1.00 73.32 H new ATOM 0 HE1 TRP A 70 6.449 21.849 1.241 1.00 3.52 H new ATOM 0 HE3 TRP A 70 7.331 16.869 3.071 1.00 33.14 H new ATOM 0 HZ2 TRP A 70 6.345 19.888 -0.771 1.00 44.15 H new ATOM 0 HZ3 TRP A 70 7.057 15.972 0.796 1.00 55.33 H new ATOM 0 HH2 TRP A 70 6.572 17.466 -1.102 1.00 73.33 H new ATOM 1084 N GLU A 71 6.419 18.597 8.199 1.00 45.40 N ATOM 1085 CA GLU A 71 6.657 17.726 9.343 1.00 63.42 C ATOM 1086 C GLU A 71 5.578 16.652 9.441 1.00 14.24 C ATOM 1087 O GLU A 71 5.876 15.457 9.459 1.00 4.41 O ATOM 1088 CB GLU A 71 6.700 18.543 10.635 1.00 24.14 C ATOM 1089 CG GLU A 71 7.936 18.283 11.479 1.00 62.01 C ATOM 1090 CD GLU A 71 7.867 16.964 12.224 1.00 71.31 C ATOM 1091 OE1 GLU A 71 8.457 15.977 11.736 1.00 23.34 O ATOM 1092 OE2 GLU A 71 7.223 16.919 13.292 1.00 14.24 O ATOM 0 H GLU A 71 6.309 19.583 8.435 1.00 45.40 H new ATOM 0 HA GLU A 71 7.621 17.237 9.201 1.00 63.42 H new ATOM 0 HB2 GLU A 71 6.657 19.603 10.386 1.00 24.14 H new ATOM 0 HB3 GLU A 71 5.813 18.318 11.227 1.00 24.14 H new ATOM 0 HG2 GLU A 71 8.817 18.288 10.837 1.00 62.01 H new ATOM 0 HG3 GLU A 71 8.059 19.095 12.196 1.00 62.01 H new ATOM 1100 N SER A 72 4.323 17.086 9.510 1.00 22.14 N ATOM 1101 CA SER A 72 3.199 16.164 9.613 1.00 20.43 C ATOM 1102 C SER A 72 3.147 15.233 8.404 1.00 34.12 C ATOM 1103 O SER A 72 2.891 14.038 8.539 1.00 41.33 O ATOM 1104 CB SER A 72 1.886 16.938 9.732 1.00 42.23 C ATOM 1105 OG SER A 72 1.714 17.455 11.040 1.00 53.00 O ATOM 0 H SER A 72 4.060 18.071 9.496 1.00 22.14 H new ATOM 0 HA SER A 72 3.338 15.560 10.509 1.00 20.43 H new ATOM 0 HB2 SER A 72 1.876 17.755 9.011 1.00 42.23 H new ATOM 0 HB3 SER A 72 1.051 16.283 9.484 1.00 42.23 H new ATOM 0 HG SER A 72 0.868 17.947 11.089 1.00 53.00 H new ATOM 1111 N ALA A 73 3.394 15.792 7.225 1.00 41.40 N ATOM 1112 CA ALA A 73 3.378 15.014 5.992 1.00 53.23 C ATOM 1113 C ALA A 73 4.438 13.919 6.019 1.00 11.13 C ATOM 1114 O ALA A 73 4.218 12.816 5.524 1.00 62.42 O ATOM 1115 CB ALA A 73 3.584 15.924 4.790 1.00 32.13 C ATOM 0 H ALA A 73 3.608 16.781 7.097 1.00 41.40 H new ATOM 0 HA ALA A 73 2.403 14.535 5.907 1.00 53.23 H new ATOM 0 HB1 ALA A 73 3.570 15.329 3.877 1.00 32.13 H new ATOM 0 HB2 ALA A 73 2.785 16.665 4.753 1.00 32.13 H new ATOM 0 HB3 ALA A 73 4.545 16.431 4.878 1.00 32.13 H new ATOM 1121 N ARG A 74 5.591 14.235 6.602 1.00 33.33 N ATOM 1122 CA ARG A 74 6.688 13.278 6.692 1.00 2.04 C ATOM 1123 C ARG A 74 6.384 12.200 7.729 1.00 35.02 C ATOM 1124 O ARG A 74 6.962 11.114 7.695 1.00 63.41 O ATOM 1125 CB ARG A 74 7.990 13.996 7.053 1.00 41.12 C ATOM 1126 CG ARG A 74 8.871 14.298 5.852 1.00 10.20 C ATOM 1127 CD ARG A 74 9.836 15.437 6.142 1.00 70.23 C ATOM 1128 NE ARG A 74 11.195 15.129 5.704 1.00 44.11 N ATOM 1129 CZ ARG A 74 12.277 15.719 6.198 1.00 72.20 C ATOM 1130 NH1 ARG A 74 12.160 16.641 7.143 1.00 5.24 N ATOM 1131 NH2 ARG A 74 13.480 15.384 5.748 1.00 74.11 N ATOM 0 H ARG A 74 5.789 15.145 7.018 1.00 33.33 H new ATOM 0 HA ARG A 74 6.802 12.800 5.719 1.00 2.04 H new ATOM 0 HB2 ARG A 74 7.751 14.930 7.562 1.00 41.12 H new ATOM 0 HB3 ARG A 74 8.550 13.382 7.759 1.00 41.12 H new ATOM 0 HG2 ARG A 74 9.432 13.405 5.577 1.00 10.20 H new ATOM 0 HG3 ARG A 74 8.246 14.557 4.997 1.00 10.20 H new ATOM 0 HD2 ARG A 74 9.490 16.341 5.641 1.00 70.23 H new ATOM 0 HD3 ARG A 74 9.839 15.646 7.212 1.00 70.23 H new ATOM 0 HE ARG A 74 11.320 14.422 4.979 1.00 44.11 H new ATOM 0 HH11 ARG A 74 11.237 16.899 7.492 1.00 5.24 H new ATOM 0 HH12 ARG A 74 12.993 17.093 7.521 1.00 5.24 H new ATOM 0 HH21 ARG A 74 13.573 14.673 5.022 1.00 74.11 H new ATOM 0 HH22 ARG A 74 14.311 15.837 6.128 1.00 74.11 H new ATOM 1145 N GLN A 75 5.477 12.509 8.649 1.00 61.54 N ATOM 1146 CA GLN A 75 5.098 11.567 9.694 1.00 74.21 C ATOM 1147 C GLN A 75 4.059 10.572 9.183 1.00 1.14 C ATOM 1148 O GLN A 75 4.137 9.377 9.468 1.00 24.34 O ATOM 1149 CB GLN A 75 4.550 12.315 10.910 1.00 51.22 C ATOM 1150 CG GLN A 75 5.621 12.718 11.910 1.00 53.22 C ATOM 1151 CD GLN A 75 5.168 12.557 13.348 1.00 52.35 C ATOM 1152 OE1 GLN A 75 5.627 11.662 14.059 1.00 2.15 O ATOM 1153 NE2 GLN A 75 4.261 13.424 13.785 1.00 70.24 N ATOM 0 H GLN A 75 4.991 13.405 8.692 1.00 61.54 H new ATOM 0 HA GLN A 75 5.990 11.013 9.988 1.00 74.21 H new ATOM 0 HB2 GLN A 75 4.027 13.209 10.571 1.00 51.22 H new ATOM 0 HB3 GLN A 75 3.814 11.686 11.412 1.00 51.22 H new ATOM 0 HG2 GLN A 75 6.513 12.114 11.744 1.00 53.22 H new ATOM 0 HG3 GLN A 75 5.903 13.757 11.736 1.00 53.22 H new ATOM 0 HE21 GLN A 75 3.908 14.150 13.162 1.00 70.24 H new ATOM 0 HE22 GLN A 75 3.918 13.364 14.744 1.00 70.24 H new ATOM 1162 N MET A 76 3.089 11.076 8.429 1.00 40.11 N ATOM 1163 CA MET A 76 2.036 10.231 7.877 1.00 43.23 C ATOM 1164 C MET A 76 2.592 9.297 6.808 1.00 63.03 C ATOM 1165 O MET A 76 1.969 8.291 6.466 1.00 51.14 O ATOM 1166 CB MET A 76 0.917 11.094 7.286 1.00 25.42 C ATOM 1167 CG MET A 76 0.792 12.459 7.941 1.00 21.23 C ATOM 1168 SD MET A 76 -0.922 12.941 8.220 1.00 24.14 S ATOM 1169 CE MET A 76 -1.285 13.798 6.690 1.00 3.41 C ATOM 0 H MET A 76 3.009 12.063 8.186 1.00 40.11 H new ATOM 0 HA MET A 76 1.629 9.625 8.687 1.00 43.23 H new ATOM 0 HB2 MET A 76 1.097 11.227 6.219 1.00 25.42 H new ATOM 0 HB3 MET A 76 -0.030 10.564 7.386 1.00 25.42 H new ATOM 0 HG2 MET A 76 1.323 12.451 8.893 1.00 21.23 H new ATOM 0 HG3 MET A 76 1.277 13.205 7.312 1.00 21.23 H new ATOM 0 HE1 MET A 76 -2.364 13.907 6.581 1.00 3.41 H new ATOM 0 HE2 MET A 76 -0.820 14.784 6.706 1.00 3.41 H new ATOM 0 HE3 MET A 76 -0.892 13.225 5.850 1.00 3.41 H new ATOM 1179 N GLN A 77 3.765 9.635 6.284 1.00 24.25 N ATOM 1180 CA GLN A 77 4.404 8.825 5.252 1.00 15.52 C ATOM 1181 C GLN A 77 4.953 7.530 5.841 1.00 65.12 C ATOM 1182 O GLN A 77 4.714 6.446 5.310 1.00 72.32 O ATOM 1183 CB GLN A 77 5.530 9.613 4.581 1.00 51.13 C ATOM 1184 CG GLN A 77 5.235 9.983 3.136 1.00 34.33 C ATOM 1185 CD GLN A 77 6.417 10.638 2.449 1.00 52.23 C ATOM 1186 OE1 GLN A 77 7.212 11.331 3.083 1.00 60.33 O ATOM 1187 NE2 GLN A 77 6.538 10.420 1.145 1.00 23.24 N ATOM 0 H GLN A 77 4.293 10.464 6.556 1.00 24.25 H new ATOM 0 HA GLN A 77 3.652 8.573 4.504 1.00 15.52 H new ATOM 0 HB2 GLN A 77 5.714 10.524 5.150 1.00 51.13 H new ATOM 0 HB3 GLN A 77 6.446 9.024 4.617 1.00 51.13 H new ATOM 0 HG2 GLN A 77 4.951 9.086 2.586 1.00 34.33 H new ATOM 0 HG3 GLN A 77 4.381 10.660 3.105 1.00 34.33 H new ATOM 0 HE21 GLN A 77 5.855 9.838 0.660 1.00 23.24 H new ATOM 0 HE22 GLN A 77 7.314 10.834 0.629 1.00 23.24 H new ATOM 1196 N GLN A 78 5.693 7.652 6.939 1.00 73.53 N ATOM 1197 CA GLN A 78 6.277 6.490 7.599 1.00 75.24 C ATOM 1198 C GLN A 78 5.201 5.469 7.958 1.00 73.41 C ATOM 1199 O GLN A 78 5.264 4.312 7.542 1.00 3.32 O ATOM 1200 CB GLN A 78 7.033 6.917 8.858 1.00 54.23 C ATOM 1201 CG GLN A 78 8.532 6.682 8.777 1.00 24.52 C ATOM 1202 CD GLN A 78 9.327 7.723 9.538 1.00 2.12 C ATOM 1203 OE1 GLN A 78 9.636 7.546 10.718 1.00 22.14 O ATOM 1204 NE2 GLN A 78 9.666 8.818 8.867 1.00 22.01 N ATOM 0 H GLN A 78 5.902 8.543 7.390 1.00 73.53 H new ATOM 0 HA GLN A 78 6.977 6.024 6.905 1.00 75.24 H new ATOM 0 HB2 GLN A 78 6.849 7.976 9.040 1.00 54.23 H new ATOM 0 HB3 GLN A 78 6.634 6.372 9.714 1.00 54.23 H new ATOM 0 HG2 GLN A 78 8.763 5.693 9.173 1.00 24.52 H new ATOM 0 HG3 GLN A 78 8.841 6.687 7.732 1.00 24.52 H new ATOM 0 HE21 GLN A 78 9.390 8.924 7.891 1.00 22.01 H new ATOM 0 HE22 GLN A 78 10.203 9.553 9.328 1.00 22.01 H new ATOM 1213 N LYS A 79 4.216 5.905 8.736 1.00 24.40 N ATOM 1214 CA LYS A 79 3.126 5.031 9.152 1.00 71.33 C ATOM 1215 C LYS A 79 2.672 4.141 7.999 1.00 73.13 C ATOM 1216 O LYS A 79 2.634 2.917 8.125 1.00 73.32 O ATOM 1217 CB LYS A 79 1.947 5.861 9.664 1.00 42.04 C ATOM 1218 CG LYS A 79 0.972 5.070 10.521 1.00 64.31 C ATOM 1219 CD LYS A 79 0.870 5.645 11.923 1.00 74.51 C ATOM 1220 CE LYS A 79 0.423 4.591 12.925 1.00 10.43 C ATOM 1221 NZ LYS A 79 1.148 4.716 14.220 1.00 72.42 N ATOM 0 H LYS A 79 4.150 6.859 9.091 1.00 24.40 H new ATOM 0 HA LYS A 79 3.491 4.394 9.958 1.00 71.33 H new ATOM 0 HB2 LYS A 79 2.330 6.701 10.245 1.00 42.04 H new ATOM 0 HB3 LYS A 79 1.412 6.280 8.812 1.00 42.04 H new ATOM 0 HG2 LYS A 79 -0.012 5.074 10.052 1.00 64.31 H new ATOM 0 HG3 LYS A 79 1.295 4.030 10.576 1.00 64.31 H new ATOM 0 HD2 LYS A 79 1.837 6.048 12.224 1.00 74.51 H new ATOM 0 HD3 LYS A 79 0.164 6.475 11.927 1.00 74.51 H new ATOM 0 HE2 LYS A 79 -0.649 4.686 13.098 1.00 10.43 H new ATOM 0 HE3 LYS A 79 0.592 3.598 12.508 1.00 10.43 H new ATOM 0 HZ1 LYS A 79 0.816 3.981 14.876 1.00 72.42 H new ATOM 0 HZ2 LYS A 79 2.169 4.601 14.059 1.00 72.42 H new ATOM 0 HZ3 LYS A 79 0.966 5.654 14.631 1.00 72.42 H new ATOM 1235 N MET A 80 2.329 4.764 6.876 1.00 52.15 N ATOM 1236 CA MET A 80 1.880 4.026 5.700 1.00 24.01 C ATOM 1237 C MET A 80 2.849 2.896 5.366 1.00 43.10 C ATOM 1238 O MET A 80 2.450 1.736 5.253 1.00 41.31 O ATOM 1239 CB MET A 80 1.744 4.968 4.503 1.00 53.15 C ATOM 1240 CG MET A 80 0.384 5.643 4.412 1.00 34.22 C ATOM 1241 SD MET A 80 -0.110 5.984 2.712 1.00 64.24 S ATOM 1242 CE MET A 80 1.008 7.319 2.296 1.00 34.54 C ATOM 0 H MET A 80 2.353 5.777 6.755 1.00 52.15 H new ATOM 0 HA MET A 80 0.906 3.591 5.923 1.00 24.01 H new ATOM 0 HB2 MET A 80 2.517 5.734 4.564 1.00 53.15 H new ATOM 0 HB3 MET A 80 1.924 4.406 3.587 1.00 53.15 H new ATOM 0 HG2 MET A 80 -0.365 5.007 4.883 1.00 34.22 H new ATOM 0 HG3 MET A 80 0.408 6.577 4.974 1.00 34.22 H new ATOM 0 HE1 MET A 80 0.434 8.185 1.965 1.00 34.54 H new ATOM 0 HE2 MET A 80 1.596 7.588 3.173 1.00 34.54 H new ATOM 0 HE3 MET A 80 1.675 6.999 1.496 1.00 34.54 H new ATOM 1252 N LYS A 81 4.122 3.242 5.206 1.00 40.12 N ATOM 1253 CA LYS A 81 5.146 2.256 4.884 1.00 20.25 C ATOM 1254 C LYS A 81 5.042 1.042 5.801 1.00 0.15 C ATOM 1255 O LYS A 81 4.955 -0.092 5.335 1.00 73.32 O ATOM 1256 CB LYS A 81 6.538 2.881 5.004 1.00 4.13 C ATOM 1257 CG LYS A 81 6.824 3.939 3.952 1.00 64.34 C ATOM 1258 CD LYS A 81 8.311 4.057 3.667 1.00 12.32 C ATOM 1259 CE LYS A 81 8.733 3.151 2.520 1.00 21.22 C ATOM 1260 NZ LYS A 81 9.981 2.401 2.835 1.00 72.04 N ATOM 0 H LYS A 81 4.469 4.197 5.294 1.00 40.12 H new ATOM 0 HA LYS A 81 4.988 1.927 3.857 1.00 20.25 H new ATOM 0 HB2 LYS A 81 6.643 3.327 5.993 1.00 4.13 H new ATOM 0 HB3 LYS A 81 7.288 2.094 4.928 1.00 4.13 H new ATOM 0 HG2 LYS A 81 6.295 3.690 3.032 1.00 64.34 H new ATOM 0 HG3 LYS A 81 6.440 4.902 4.290 1.00 64.34 H new ATOM 0 HD2 LYS A 81 8.555 5.091 3.424 1.00 12.32 H new ATOM 0 HD3 LYS A 81 8.876 3.799 4.563 1.00 12.32 H new ATOM 0 HE2 LYS A 81 7.931 2.446 2.300 1.00 21.22 H new ATOM 0 HE3 LYS A 81 8.886 3.749 1.622 1.00 21.22 H new ATOM 0 HZ1 LYS A 81 10.235 1.795 2.029 1.00 72.04 H new ATOM 0 HZ2 LYS A 81 10.753 3.073 3.020 1.00 72.04 H new ATOM 0 HZ3 LYS A 81 9.828 1.810 3.677 1.00 72.04 H new ATOM 1274 N GLU A 82 5.052 1.291 7.109 1.00 65.12 N ATOM 1275 CA GLU A 82 4.958 0.217 8.090 1.00 52.43 C ATOM 1276 C GLU A 82 3.738 -0.659 7.822 1.00 63.33 C ATOM 1277 O GLU A 82 3.745 -1.858 8.104 1.00 42.41 O ATOM 1278 CB GLU A 82 4.883 0.796 9.505 1.00 72.00 C ATOM 1279 CG GLU A 82 6.199 1.376 9.995 1.00 53.44 C ATOM 1280 CD GLU A 82 6.101 2.856 10.307 1.00 21.14 C ATOM 1281 OE1 GLU A 82 6.914 3.632 9.761 1.00 34.43 O ATOM 1282 OE2 GLU A 82 5.214 3.241 11.096 1.00 40.52 O ATOM 0 H GLU A 82 5.124 2.226 7.511 1.00 65.12 H new ATOM 0 HA GLU A 82 5.852 -0.400 8.004 1.00 52.43 H new ATOM 0 HB2 GLU A 82 4.121 1.575 9.530 1.00 72.00 H new ATOM 0 HB3 GLU A 82 4.562 0.013 10.192 1.00 72.00 H new ATOM 0 HG2 GLU A 82 6.518 0.840 10.889 1.00 53.44 H new ATOM 0 HG3 GLU A 82 6.967 1.218 9.237 1.00 53.44 H new ATOM 1290 N THR A 83 2.689 -0.052 7.275 1.00 63.33 N ATOM 1291 CA THR A 83 1.461 -0.776 6.969 1.00 32.51 C ATOM 1292 C THR A 83 1.591 -1.555 5.665 1.00 60.13 C ATOM 1293 O THR A 83 1.038 -2.647 5.525 1.00 61.22 O ATOM 1294 CB THR A 83 0.257 0.180 6.865 1.00 21.34 C ATOM 1295 OG1 THR A 83 -0.710 -0.138 7.872 1.00 2.45 O ATOM 1296 CG2 THR A 83 -0.388 0.089 5.490 1.00 63.43 C ATOM 0 H THR A 83 2.665 0.939 7.035 1.00 63.33 H new ATOM 0 HA THR A 83 1.293 -1.473 7.790 1.00 32.51 H new ATOM 0 HB THR A 83 0.616 1.198 7.015 1.00 21.34 H new ATOM 0 HG1 THR A 83 -1.168 0.681 8.156 1.00 2.45 H new ATOM 0 HG21 THR A 83 -1.236 0.772 5.440 1.00 63.43 H new ATOM 0 HG22 THR A 83 0.342 0.359 4.727 1.00 63.43 H new ATOM 0 HG23 THR A 83 -0.733 -0.930 5.317 1.00 63.43 H new ATOM 1304 N LEU A 84 2.325 -0.990 4.714 1.00 31.14 N ATOM 1305 CA LEU A 84 2.530 -1.633 3.420 1.00 11.52 C ATOM 1306 C LEU A 84 3.137 -3.021 3.592 1.00 31.31 C ATOM 1307 O LEU A 84 2.590 -4.012 3.109 1.00 43.42 O ATOM 1308 CB LEU A 84 3.437 -0.773 2.538 1.00 35.40 C ATOM 1309 CG LEU A 84 4.196 -1.511 1.436 1.00 4.30 C ATOM 1310 CD1 LEU A 84 3.245 -1.945 0.331 1.00 3.14 C ATOM 1311 CD2 LEU A 84 5.305 -0.633 0.874 1.00 22.42 C ATOM 0 H LEU A 84 2.789 -0.087 4.814 1.00 31.14 H new ATOM 0 HA LEU A 84 1.559 -1.739 2.937 1.00 11.52 H new ATOM 0 HB2 LEU A 84 2.829 0.004 2.075 1.00 35.40 H new ATOM 0 HB3 LEU A 84 4.163 -0.271 3.178 1.00 35.40 H new ATOM 0 HG LEU A 84 4.649 -2.403 1.868 1.00 4.30 H new ATOM 0 HD11 LEU A 84 3.803 -2.469 -0.445 1.00 3.14 H new ATOM 0 HD12 LEU A 84 2.487 -2.610 0.744 1.00 3.14 H new ATOM 0 HD13 LEU A 84 2.762 -1.067 -0.099 1.00 3.14 H new ATOM 0 HD21 LEU A 84 5.835 -1.174 0.090 1.00 22.42 H new ATOM 0 HD22 LEU A 84 4.873 0.277 0.458 1.00 22.42 H new ATOM 0 HD23 LEU A 84 6.002 -0.373 1.671 1.00 22.42 H new ATOM 1323 N GLN A 85 4.270 -3.085 4.285 1.00 74.11 N ATOM 1324 CA GLN A 85 4.949 -4.353 4.522 1.00 51.00 C ATOM 1325 C GLN A 85 4.014 -5.357 5.188 1.00 3.32 C ATOM 1326 O GLN A 85 4.161 -6.567 5.014 1.00 12.51 O ATOM 1327 CB GLN A 85 6.188 -4.137 5.394 1.00 45.13 C ATOM 1328 CG GLN A 85 5.966 -3.155 6.533 1.00 63.42 C ATOM 1329 CD GLN A 85 6.868 -3.426 7.721 1.00 12.44 C ATOM 1330 OE1 GLN A 85 6.412 -3.471 8.864 1.00 62.02 O ATOM 1331 NE2 GLN A 85 8.156 -3.610 7.456 1.00 55.21 N ATOM 0 H GLN A 85 4.736 -2.274 4.692 1.00 74.11 H new ATOM 0 HA GLN A 85 5.257 -4.756 3.557 1.00 51.00 H new ATOM 0 HB2 GLN A 85 6.503 -5.095 5.807 1.00 45.13 H new ATOM 0 HB3 GLN A 85 7.004 -3.776 4.768 1.00 45.13 H new ATOM 0 HG2 GLN A 85 6.141 -2.141 6.173 1.00 63.42 H new ATOM 0 HG3 GLN A 85 4.925 -3.205 6.853 1.00 63.42 H new ATOM 0 HE21 GLN A 85 8.490 -3.564 6.493 1.00 55.21 H new ATOM 0 HE22 GLN A 85 8.811 -3.797 8.215 1.00 55.21 H new ATOM 1340 N ASN A 86 3.051 -4.847 5.948 1.00 2.22 N ATOM 1341 CA ASN A 86 2.091 -5.698 6.641 1.00 24.33 C ATOM 1342 C ASN A 86 0.962 -6.120 5.704 1.00 23.23 C ATOM 1343 O ASN A 86 0.425 -7.220 5.819 1.00 52.05 O ATOM 1344 CB ASN A 86 1.515 -4.970 7.857 1.00 1.03 C ATOM 1345 CG ASN A 86 2.269 -5.290 9.134 1.00 41.23 C ATOM 1346 OD1 ASN A 86 1.674 -5.680 10.138 1.00 61.04 O ATOM 1347 ND2 ASN A 86 3.586 -5.125 9.100 1.00 44.31 N ATOM 0 H ASN A 86 2.915 -3.848 6.100 1.00 2.22 H new ATOM 0 HA ASN A 86 2.614 -6.593 6.977 1.00 24.33 H new ATOM 0 HB2 ASN A 86 1.544 -3.895 7.681 1.00 1.03 H new ATOM 0 HB3 ASN A 86 0.467 -5.245 7.979 1.00 1.03 H new ATOM 0 HD21 ASN A 86 4.146 -5.324 9.929 1.00 44.31 H new ATOM 0 HD22 ASN A 86 4.037 -4.799 8.245 1.00 44.31 H new ATOM 1354 N VAL A 87 0.609 -5.235 4.777 1.00 33.43 N ATOM 1355 CA VAL A 87 -0.453 -5.515 3.819 1.00 35.53 C ATOM 1356 C VAL A 87 0.015 -6.496 2.749 1.00 31.34 C ATOM 1357 O VAL A 87 -0.635 -7.511 2.497 1.00 23.31 O ATOM 1358 CB VAL A 87 -0.946 -4.225 3.136 1.00 54.44 C ATOM 1359 CG1 VAL A 87 -1.616 -4.547 1.809 1.00 64.12 C ATOM 1360 CG2 VAL A 87 -1.897 -3.469 4.052 1.00 24.22 C ATOM 0 H VAL A 87 1.043 -4.318 4.670 1.00 33.43 H new ATOM 0 HA VAL A 87 -1.276 -5.959 4.379 1.00 35.53 H new ATOM 0 HB VAL A 87 -0.085 -3.587 2.936 1.00 54.44 H new ATOM 0 HG11 VAL A 87 -1.958 -3.624 1.341 1.00 64.12 H new ATOM 0 HG12 VAL A 87 -0.902 -5.044 1.152 1.00 64.12 H new ATOM 0 HG13 VAL A 87 -2.469 -5.204 1.982 1.00 64.12 H new ATOM 0 HG21 VAL A 87 -2.236 -2.560 3.554 1.00 24.22 H new ATOM 0 HG22 VAL A 87 -2.756 -4.098 4.283 1.00 24.22 H new ATOM 0 HG23 VAL A 87 -1.381 -3.206 4.975 1.00 24.22 H new ATOM 1370 N ARG A 88 1.147 -6.187 2.126 1.00 34.02 N ATOM 1371 CA ARG A 88 1.702 -7.041 1.082 1.00 12.43 C ATOM 1372 C ARG A 88 1.588 -8.512 1.467 1.00 44.13 C ATOM 1373 O ARG A 88 1.378 -9.375 0.613 1.00 65.42 O ATOM 1374 CB ARG A 88 3.167 -6.682 0.826 1.00 20.35 C ATOM 1375 CG ARG A 88 3.349 -5.487 -0.095 1.00 31.23 C ATOM 1376 CD ARG A 88 4.791 -5.357 -0.561 1.00 51.43 C ATOM 1377 NE ARG A 88 4.881 -5.014 -1.978 1.00 54.34 N ATOM 1378 CZ ARG A 88 4.608 -5.868 -2.958 1.00 61.02 C ATOM 1379 NH1 ARG A 88 4.229 -7.107 -2.677 1.00 23.53 N ATOM 1380 NH2 ARG A 88 4.712 -5.482 -4.223 1.00 43.40 N ATOM 0 H ARG A 88 1.698 -5.352 2.326 1.00 34.02 H new ATOM 0 HA ARG A 88 1.130 -6.876 0.169 1.00 12.43 H new ATOM 0 HB2 ARG A 88 3.653 -6.473 1.779 1.00 20.35 H new ATOM 0 HB3 ARG A 88 3.673 -7.545 0.393 1.00 20.35 H new ATOM 0 HG2 ARG A 88 2.694 -5.590 -0.960 1.00 31.23 H new ATOM 0 HG3 ARG A 88 3.050 -4.577 0.425 1.00 31.23 H new ATOM 0 HD2 ARG A 88 5.295 -4.592 0.030 1.00 51.43 H new ATOM 0 HD3 ARG A 88 5.316 -6.295 -0.381 1.00 51.43 H new ATOM 0 HE ARG A 88 5.169 -4.068 -2.228 1.00 54.34 H new ATOM 0 HH11 ARG A 88 4.146 -7.407 -1.706 1.00 23.53 H new ATOM 0 HH12 ARG A 88 4.020 -7.760 -3.432 1.00 23.53 H new ATOM 0 HH21 ARG A 88 5.002 -4.529 -4.443 1.00 43.40 H new ATOM 0 HH22 ARG A 88 4.502 -6.138 -4.975 1.00 43.40 H new ATOM 1394 N THR A 89 1.726 -8.795 2.759 1.00 23.12 N ATOM 1395 CA THR A 89 1.641 -10.162 3.257 1.00 3.01 C ATOM 1396 C THR A 89 0.199 -10.655 3.260 1.00 43.11 C ATOM 1397 O THR A 89 -0.091 -11.756 2.791 1.00 33.13 O ATOM 1398 CB THR A 89 2.214 -10.278 4.682 1.00 22.24 C ATOM 1399 OG1 THR A 89 3.613 -10.581 4.623 1.00 24.44 O ATOM 1400 CG2 THR A 89 1.488 -11.355 5.471 1.00 63.44 C ATOM 0 H THR A 89 1.897 -8.094 3.480 1.00 23.12 H new ATOM 0 HA THR A 89 2.234 -10.782 2.584 1.00 3.01 H new ATOM 0 HB THR A 89 2.071 -9.323 5.187 1.00 22.24 H new ATOM 0 HG1 THR A 89 3.971 -10.652 5.533 1.00 24.44 H new ATOM 0 HG21 THR A 89 1.910 -11.418 6.474 1.00 63.44 H new ATOM 0 HG22 THR A 89 0.429 -11.105 5.538 1.00 63.44 H new ATOM 0 HG23 THR A 89 1.603 -12.315 4.968 1.00 63.44 H new ATOM 1408 N ARG A 90 -0.702 -9.834 3.791 1.00 62.31 N ATOM 1409 CA ARG A 90 -2.116 -10.190 3.855 1.00 24.54 C ATOM 1410 C ARG A 90 -2.639 -10.586 2.478 1.00 41.31 C ATOM 1411 O ARG A 90 -3.325 -11.598 2.331 1.00 34.11 O ATOM 1412 CB ARG A 90 -2.931 -9.019 4.405 1.00 22.21 C ATOM 1413 CG ARG A 90 -2.573 -8.645 5.834 1.00 30.44 C ATOM 1414 CD ARG A 90 -2.328 -9.878 6.689 1.00 52.12 C ATOM 1415 NE ARG A 90 -2.296 -9.559 8.114 1.00 22.34 N ATOM 1416 CZ ARG A 90 -2.482 -10.459 9.073 1.00 62.23 C ATOM 1417 NH1 ARG A 90 -2.714 -11.726 8.761 1.00 41.21 N ATOM 1418 NH2 ARG A 90 -2.437 -10.092 10.347 1.00 63.12 N ATOM 0 H ARG A 90 -0.479 -8.919 4.183 1.00 62.31 H new ATOM 0 HA ARG A 90 -2.222 -11.044 4.524 1.00 24.54 H new ATOM 0 HB2 ARG A 90 -2.782 -8.151 3.763 1.00 22.21 H new ATOM 0 HB3 ARG A 90 -3.990 -9.271 4.359 1.00 22.21 H new ATOM 0 HG2 ARG A 90 -1.681 -8.018 5.834 1.00 30.44 H new ATOM 0 HG3 ARG A 90 -3.379 -8.054 6.269 1.00 30.44 H new ATOM 0 HD2 ARG A 90 -3.111 -10.612 6.499 1.00 52.12 H new ATOM 0 HD3 ARG A 90 -1.383 -10.338 6.399 1.00 52.12 H new ATOM 0 HE ARG A 90 -2.121 -8.592 8.388 1.00 22.34 H new ATOM 0 HH11 ARG A 90 -2.750 -12.012 7.783 1.00 41.21 H new ATOM 0 HH12 ARG A 90 -2.856 -12.415 9.499 1.00 41.21 H new ATOM 0 HH21 ARG A 90 -2.259 -9.118 10.591 1.00 63.12 H new ATOM 0 HH22 ARG A 90 -2.580 -10.784 11.082 1.00 63.12 H new ATOM 1432 N LEU A 91 -2.311 -9.783 1.472 1.00 62.40 N ATOM 1433 CA LEU A 91 -2.749 -10.050 0.106 1.00 12.44 C ATOM 1434 C LEU A 91 -2.121 -11.333 -0.426 1.00 52.23 C ATOM 1435 O LEU A 91 -2.667 -11.977 -1.322 1.00 75.33 O ATOM 1436 CB LEU A 91 -2.386 -8.876 -0.806 1.00 11.54 C ATOM 1437 CG LEU A 91 -2.923 -8.945 -2.235 1.00 62.31 C ATOM 1438 CD1 LEU A 91 -4.431 -8.749 -2.249 1.00 53.40 C ATOM 1439 CD2 LEU A 91 -2.239 -7.907 -3.113 1.00 2.42 C ATOM 0 H LEU A 91 -1.743 -8.942 1.576 1.00 62.40 H new ATOM 0 HA LEU A 91 -3.832 -10.174 0.116 1.00 12.44 H new ATOM 0 HB2 LEU A 91 -2.752 -7.958 -0.346 1.00 11.54 H new ATOM 0 HB3 LEU A 91 -1.300 -8.799 -0.851 1.00 11.54 H new ATOM 0 HG LEU A 91 -2.703 -9.934 -2.638 1.00 62.31 H new ATOM 0 HD11 LEU A 91 -4.795 -8.801 -3.275 1.00 53.40 H new ATOM 0 HD12 LEU A 91 -4.905 -9.531 -1.655 1.00 53.40 H new ATOM 0 HD13 LEU A 91 -4.675 -7.774 -1.827 1.00 53.40 H new ATOM 0 HD21 LEU A 91 -2.634 -7.971 -4.127 1.00 2.42 H new ATOM 0 HD22 LEU A 91 -2.427 -6.911 -2.712 1.00 2.42 H new ATOM 0 HD23 LEU A 91 -1.165 -8.095 -3.129 1.00 2.42 H new ATOM 1451 N GLU A 92 -0.973 -11.702 0.134 1.00 71.33 N ATOM 1452 CA GLU A 92 -0.273 -12.910 -0.284 1.00 70.15 C ATOM 1453 C GLU A 92 -0.912 -14.151 0.334 1.00 63.00 C ATOM 1454 O GLU A 92 -1.349 -15.055 -0.377 1.00 75.31 O ATOM 1455 CB GLU A 92 1.204 -12.833 0.110 1.00 14.23 C ATOM 1456 CG GLU A 92 1.673 -14.014 0.944 1.00 53.12 C ATOM 1457 CD GLU A 92 3.183 -14.098 1.038 1.00 14.45 C ATOM 1458 OE1 GLU A 92 3.864 -13.276 0.389 1.00 71.23 O ATOM 1459 OE2 GLU A 92 3.685 -14.984 1.761 1.00 31.33 O ATOM 0 H GLU A 92 -0.509 -11.181 0.878 1.00 71.33 H new ATOM 0 HA GLU A 92 -0.349 -12.986 -1.369 1.00 70.15 H new ATOM 0 HB2 GLU A 92 1.810 -12.774 -0.794 1.00 14.23 H new ATOM 0 HB3 GLU A 92 1.375 -11.913 0.669 1.00 14.23 H new ATOM 0 HG2 GLU A 92 1.254 -13.935 1.947 1.00 53.12 H new ATOM 0 HG3 GLU A 92 1.288 -14.937 0.510 1.00 53.12 H new ATOM 1467 N ILE A 93 -0.962 -14.184 1.661 1.00 74.21 N ATOM 1468 CA ILE A 93 -1.548 -15.312 2.375 1.00 74.40 C ATOM 1469 C ILE A 93 -2.928 -15.654 1.824 1.00 31.35 C ATOM 1470 O ILE A 93 -3.283 -16.827 1.694 1.00 73.11 O ATOM 1471 CB ILE A 93 -1.665 -15.024 3.883 1.00 52.01 C ATOM 1472 CG1 ILE A 93 -0.276 -14.937 4.519 1.00 52.35 C ATOM 1473 CG2 ILE A 93 -2.498 -16.100 4.564 1.00 42.35 C ATOM 1474 CD1 ILE A 93 -0.296 -14.444 5.949 1.00 60.34 C ATOM 0 H ILE A 93 -0.604 -13.443 2.264 1.00 74.21 H new ATOM 0 HA ILE A 93 -0.880 -16.161 2.227 1.00 74.40 H new ATOM 0 HB ILE A 93 -2.165 -14.065 4.016 1.00 52.01 H new ATOM 0 HG12 ILE A 93 0.191 -15.922 4.489 1.00 52.35 H new ATOM 0 HG13 ILE A 93 0.347 -14.271 3.922 1.00 52.35 H new ATOM 0 HG21 ILE A 93 -2.572 -15.883 5.630 1.00 42.35 H new ATOM 0 HG22 ILE A 93 -3.497 -16.118 4.127 1.00 42.35 H new ATOM 0 HG23 ILE A 93 -2.023 -17.071 4.424 1.00 42.35 H new ATOM 0 HD11 ILE A 93 0.722 -14.408 6.336 1.00 60.34 H new ATOM 0 HD12 ILE A 93 -0.733 -13.446 5.984 1.00 60.34 H new ATOM 0 HD13 ILE A 93 -0.892 -15.123 6.560 1.00 60.34 H new ATOM 1486 N LEU A 94 -3.701 -14.625 1.501 1.00 21.14 N ATOM 1487 CA LEU A 94 -5.044 -14.815 0.961 1.00 21.43 C ATOM 1488 C LEU A 94 -4.986 -15.364 -0.460 1.00 64.34 C ATOM 1489 O LEU A 94 -5.858 -16.126 -0.877 1.00 11.13 O ATOM 1490 CB LEU A 94 -5.815 -13.494 0.980 1.00 23.25 C ATOM 1491 CG LEU A 94 -6.535 -13.155 2.285 1.00 21.13 C ATOM 1492 CD1 LEU A 94 -6.157 -11.760 2.757 1.00 22.30 C ATOM 1493 CD2 LEU A 94 -8.042 -13.270 2.108 1.00 73.00 C ATOM 0 H LEU A 94 -3.422 -13.649 1.603 1.00 21.14 H new ATOM 0 HA LEU A 94 -5.563 -15.539 1.589 1.00 21.43 H new ATOM 0 HB2 LEU A 94 -5.119 -12.687 0.753 1.00 23.25 H new ATOM 0 HB3 LEU A 94 -6.552 -13.515 0.177 1.00 23.25 H new ATOM 0 HG LEU A 94 -6.223 -13.870 3.046 1.00 21.13 H new ATOM 0 HD11 LEU A 94 -6.679 -11.537 3.687 1.00 22.30 H new ATOM 0 HD12 LEU A 94 -5.081 -11.712 2.924 1.00 22.30 H new ATOM 0 HD13 LEU A 94 -6.439 -11.030 1.998 1.00 22.30 H new ATOM 0 HD21 LEU A 94 -8.538 -13.025 3.047 1.00 73.00 H new ATOM 0 HD22 LEU A 94 -8.371 -12.578 1.332 1.00 73.00 H new ATOM 0 HD23 LEU A 94 -8.298 -14.289 1.818 1.00 73.00 H new