USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 459 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 52 LYS NZ :NH3+ -148:sc= 2.45 (180deg=0.344) USER MOD Set 1.2: A 56 TYR OH : rot -8:sc= 2.29 USER MOD Set 2.1: A 13 TYR OH : rot 169:sc= 2.15 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 176:sc= 2.22 (180deg=1.18) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 178:sc= 1.41 (180deg=0.0865) USER MOD Set 3.2: A 15 TYR OH : rot 15:sc= 0.962 USER MOD Single : A 12 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0368) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 1.08 (180deg=1.03) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 2.43 (180deg=2.19) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 48:sc= 0.0591 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= 0.963 (180deg=0.909) USER MOD Single : A 49 LYS NZ :NH3+ -148:sc= 1.18 (180deg=1.01) USER MOD Single : A 59 ASN : amide:sc= 0.976 K(o=0.98,f=-5.4!) USER MOD Single : A 60 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 9.481 -48.208 -7.114 1.00 0.00 N ATOM 101 CA ILE A 6 9.540 -47.859 -8.553 1.00 0.00 C ATOM 102 C ILE A 6 9.295 -49.121 -9.402 1.00 0.00 C ATOM 103 O ILE A 6 8.476 -49.074 -10.315 1.00 0.00 O ATOM 104 CB ILE A 6 10.888 -47.215 -9.036 1.00 0.00 C ATOM 105 CG1 ILE A 6 11.357 -46.063 -8.126 1.00 0.00 C ATOM 106 CG2 ILE A 6 10.770 -46.686 -10.517 1.00 0.00 C ATOM 107 CD1 ILE A 6 12.864 -45.802 -8.283 1.00 0.00 C ATOM 0 HA ILE A 6 8.766 -47.103 -8.685 1.00 0.00 H new ATOM 0 HB ILE A 6 11.632 -48.010 -8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.802 -45.157 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.134 -46.305 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 6 11.719 -46.246 -10.823 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.524 -47.515 -11.181 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.985 -45.931 -10.572 1.00 0.00 H new ATOM 0 HD11 ILE A 6 13.162 -44.984 -7.627 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.419 -46.701 -8.016 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.081 -45.536 -9.317 1.00 0.00 H new ATOM 119 N GLU A 7 9.972 -50.242 -9.097 1.00 0.00 N ATOM 120 CA GLU A 7 9.744 -51.540 -9.742 1.00 0.00 C ATOM 121 C GLU A 7 8.279 -52.012 -9.636 1.00 0.00 C ATOM 122 O GLU A 7 7.695 -52.338 -10.661 1.00 0.00 O ATOM 123 CB GLU A 7 10.708 -52.560 -9.089 1.00 0.00 C ATOM 124 CG GLU A 7 10.645 -54.021 -9.629 1.00 0.00 C ATOM 125 CD GLU A 7 11.404 -54.983 -8.713 1.00 0.00 C ATOM 126 OE1 GLU A 7 10.918 -55.259 -7.610 1.00 0.00 O ATOM 127 OE2 GLU A 7 12.469 -55.447 -9.106 1.00 0.00 O ATOM 0 H GLU A 7 10.702 -50.268 -8.385 1.00 0.00 H new ATOM 0 HA GLU A 7 9.941 -51.448 -10.810 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.727 -52.194 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.506 -52.583 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.605 -54.337 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.069 -54.059 -10.632 1.00 0.00 H new ATOM 134 N GLU A 8 7.635 -52.052 -8.463 1.00 0.00 N ATOM 135 CA GLU A 8 6.227 -52.461 -8.342 1.00 0.00 C ATOM 136 C GLU A 8 5.213 -51.497 -8.998 1.00 0.00 C ATOM 137 O GLU A 8 4.151 -51.952 -9.433 1.00 0.00 O ATOM 138 CB GLU A 8 5.901 -52.680 -6.843 1.00 0.00 C ATOM 139 CG GLU A 8 6.608 -53.948 -6.250 1.00 0.00 C ATOM 140 CD GLU A 8 7.211 -53.746 -4.852 1.00 0.00 C ATOM 141 OE1 GLU A 8 6.614 -53.079 -4.009 1.00 0.00 O ATOM 142 OE2 GLU A 8 8.301 -54.279 -4.623 1.00 0.00 O ATOM 0 H GLU A 8 8.071 -51.804 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 8 6.117 -53.389 -8.904 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.206 -51.800 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.822 -52.779 -6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.886 -54.764 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.400 -54.259 -6.932 1.00 0.00 H new ATOM 149 N GLU A 9 5.480 -50.187 -9.094 1.00 0.00 N ATOM 150 CA GLU A 9 4.614 -49.243 -9.815 1.00 0.00 C ATOM 151 C GLU A 9 5.002 -48.995 -11.282 1.00 0.00 C ATOM 152 O GLU A 9 4.125 -48.616 -12.058 1.00 0.00 O ATOM 153 CB GLU A 9 4.536 -47.929 -9.027 1.00 0.00 C ATOM 154 CG GLU A 9 4.045 -48.052 -7.541 1.00 0.00 C ATOM 155 CD GLU A 9 2.685 -48.728 -7.331 1.00 0.00 C ATOM 156 OE1 GLU A 9 1.771 -48.578 -8.145 1.00 0.00 O ATOM 157 OE2 GLU A 9 2.533 -49.406 -6.312 1.00 0.00 O ATOM 0 H GLU A 9 6.302 -49.752 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 9 3.631 -49.710 -9.877 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.524 -47.468 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.868 -47.249 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.794 -48.608 -6.978 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.000 -47.051 -7.111 1.00 0.00 H new ATOM 164 N ALA A 10 6.260 -49.090 -11.717 1.00 0.00 N ATOM 165 CA ALA A 10 6.605 -49.234 -13.136 1.00 0.00 C ATOM 166 C ALA A 10 7.114 -50.609 -13.660 1.00 0.00 C ATOM 167 O ALA A 10 7.933 -50.630 -14.581 1.00 0.00 O ATOM 168 CB ALA A 10 7.573 -48.060 -13.447 1.00 0.00 C ATOM 0 H ALA A 10 7.070 -49.069 -11.097 1.00 0.00 H new ATOM 0 HA ALA A 10 5.672 -49.196 -13.698 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.874 -48.104 -14.494 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.070 -47.113 -13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.456 -48.138 -12.812 1.00 0.00 H new ATOM 174 N ALA A 11 6.669 -51.767 -13.136 1.00 0.00 N ATOM 175 CA ALA A 11 7.055 -53.117 -13.595 1.00 0.00 C ATOM 176 C ALA A 11 6.978 -53.422 -15.108 1.00 0.00 C ATOM 177 O ALA A 11 7.979 -53.803 -15.717 1.00 0.00 O ATOM 178 CB ALA A 11 6.214 -54.137 -12.779 1.00 0.00 C ATOM 0 H ALA A 11 6.011 -51.791 -12.357 1.00 0.00 H new ATOM 0 HA ALA A 11 8.127 -53.192 -13.415 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.470 -55.150 -13.089 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.428 -54.018 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.153 -53.960 -12.958 1.00 0.00 H new ATOM 184 N LYS A 12 5.790 -53.280 -15.698 1.00 0.00 N ATOM 185 CA LYS A 12 5.556 -53.417 -17.141 1.00 0.00 C ATOM 186 C LYS A 12 4.295 -52.619 -17.517 1.00 0.00 C ATOM 187 O LYS A 12 4.356 -51.669 -18.304 1.00 0.00 O ATOM 188 CB LYS A 12 5.448 -54.920 -17.541 1.00 0.00 C ATOM 189 CG LYS A 12 5.312 -55.140 -19.064 1.00 0.00 C ATOM 190 CD LYS A 12 5.192 -56.640 -19.405 1.00 0.00 C ATOM 191 CE LYS A 12 5.097 -56.923 -20.910 1.00 0.00 C ATOM 192 NZ LYS A 12 3.827 -56.425 -21.422 1.00 0.00 N ATOM 0 H LYS A 12 4.942 -53.061 -15.175 1.00 0.00 H new ATOM 0 HA LYS A 12 6.400 -53.010 -17.698 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.331 -55.448 -17.182 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.587 -55.361 -17.039 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.434 -54.610 -19.433 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.178 -54.717 -19.573 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.056 -57.166 -18.999 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.310 -57.047 -18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.925 -56.444 -21.433 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.180 -57.994 -21.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.712 -56.721 -22.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.047 -56.811 -20.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.814 -55.387 -21.367 1.00 0.00 H new ATOM 206 N TYR A 13 3.195 -53.025 -16.862 1.00 0.00 N ATOM 207 CA TYR A 13 1.904 -52.348 -16.784 1.00 0.00 C ATOM 208 C TYR A 13 0.977 -52.267 -18.013 1.00 0.00 C ATOM 209 O TYR A 13 1.287 -51.803 -19.110 1.00 0.00 O ATOM 210 CB TYR A 13 2.043 -50.970 -16.103 1.00 0.00 C ATOM 211 CG TYR A 13 2.027 -51.149 -14.585 1.00 0.00 C ATOM 212 CD1 TYR A 13 0.830 -51.140 -13.896 1.00 0.00 C ATOM 213 CD2 TYR A 13 3.185 -51.334 -13.860 1.00 0.00 C ATOM 214 CE1 TYR A 13 0.776 -51.301 -12.531 1.00 0.00 C ATOM 215 CE2 TYR A 13 3.139 -51.493 -12.493 1.00 0.00 C ATOM 216 CZ TYR A 13 1.933 -51.473 -11.825 1.00 0.00 C ATOM 217 OH TYR A 13 1.848 -51.559 -10.466 1.00 0.00 O ATOM 0 H TYR A 13 3.192 -53.900 -16.337 1.00 0.00 H new ATOM 0 HA TYR A 13 1.350 -53.063 -16.176 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.971 -50.491 -16.414 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.228 -50.316 -16.412 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.090 -51.003 -14.445 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.137 -51.354 -14.369 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.176 -51.292 -12.020 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.055 -51.635 -11.939 1.00 0.00 H new ATOM 0 HH TYR A 13 2.709 -51.855 -10.102 1.00 0.00 H new ATOM 227 N LYS A 14 -0.216 -52.798 -17.723 1.00 0.00 N ATOM 228 CA LYS A 14 -1.480 -52.374 -18.327 1.00 0.00 C ATOM 229 C LYS A 14 -1.793 -50.911 -17.922 1.00 0.00 C ATOM 230 O LYS A 14 -2.094 -50.070 -18.772 1.00 0.00 O ATOM 231 CB LYS A 14 -2.559 -53.390 -17.828 1.00 0.00 C ATOM 232 CG LYS A 14 -3.897 -53.515 -18.610 1.00 0.00 C ATOM 233 CD LYS A 14 -4.879 -52.328 -18.469 1.00 0.00 C ATOM 234 CE LYS A 14 -6.339 -52.694 -18.769 1.00 0.00 C ATOM 235 NZ LYS A 14 -6.915 -53.382 -17.613 1.00 0.00 N ATOM 0 H LYS A 14 -0.330 -53.552 -17.046 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.449 -52.379 -19.417 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.097 -54.377 -17.807 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.803 -53.131 -16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.666 -53.646 -19.667 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.404 -54.422 -18.280 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.814 -51.933 -17.455 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.568 -51.529 -19.143 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.912 -51.794 -18.993 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.391 -53.334 -19.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.914 -53.601 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.394 -54.265 -17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.847 -52.770 -16.775 1.00 0.00 H new ATOM 249 N TYR A 15 -1.683 -50.564 -16.626 1.00 0.00 N ATOM 250 CA TYR A 15 -1.869 -49.192 -16.124 1.00 0.00 C ATOM 251 C TYR A 15 -0.606 -48.302 -16.262 1.00 0.00 C ATOM 252 O TYR A 15 0.083 -47.833 -15.334 1.00 0.00 O ATOM 253 CB TYR A 15 -2.477 -49.215 -14.698 1.00 0.00 C ATOM 254 CG TYR A 15 -3.858 -49.882 -14.753 1.00 0.00 C ATOM 255 CD1 TYR A 15 -4.938 -49.226 -15.318 1.00 0.00 C ATOM 256 CD2 TYR A 15 -4.041 -51.199 -14.367 1.00 0.00 C ATOM 257 CE1 TYR A 15 -6.146 -49.861 -15.521 1.00 0.00 C ATOM 258 CE2 TYR A 15 -5.244 -51.844 -14.570 1.00 0.00 C ATOM 259 CZ TYR A 15 -6.289 -51.179 -15.161 1.00 0.00 C ATOM 260 OH TYR A 15 -7.413 -51.865 -15.505 1.00 0.00 O ATOM 0 H TYR A 15 -1.460 -51.236 -15.892 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.594 -48.699 -16.772 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.822 -49.761 -14.019 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.564 -48.200 -14.310 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.832 -48.191 -15.607 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.227 -51.732 -13.898 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.974 -49.325 -15.960 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.363 -52.873 -14.264 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.902 -51.368 -16.194 1.00 0.00 H new ATOM 270 N ALA A 16 -0.402 -48.093 -17.570 1.00 0.00 N ATOM 271 CA ALA A 16 0.640 -47.247 -18.135 1.00 0.00 C ATOM 272 C ALA A 16 0.544 -45.785 -17.671 1.00 0.00 C ATOM 273 O ALA A 16 1.564 -45.114 -17.563 1.00 0.00 O ATOM 274 CB ALA A 16 0.547 -47.350 -19.671 1.00 0.00 C ATOM 0 H ALA A 16 -0.985 -48.529 -18.285 1.00 0.00 H new ATOM 0 HA ALA A 16 1.609 -47.598 -17.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.317 -46.726 -20.125 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.694 -48.386 -19.976 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.435 -47.011 -20.000 1.00 0.00 H new ATOM 280 N MET A 17 -0.673 -45.313 -17.366 1.00 0.00 N ATOM 281 CA MET A 17 -0.933 -44.015 -16.740 1.00 0.00 C ATOM 282 C MET A 17 -0.375 -43.899 -15.305 1.00 0.00 C ATOM 283 O MET A 17 0.052 -42.817 -14.903 1.00 0.00 O ATOM 284 CB MET A 17 -2.461 -43.758 -16.732 1.00 0.00 C ATOM 285 CG MET A 17 -3.064 -43.617 -18.148 1.00 0.00 C ATOM 286 SD MET A 17 -4.864 -43.412 -18.119 1.00 0.00 S ATOM 287 CE MET A 17 -5.408 -45.130 -18.300 1.00 0.00 C ATOM 0 H MET A 17 -1.525 -45.841 -17.554 1.00 0.00 H new ATOM 0 HA MET A 17 -0.412 -43.262 -17.331 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.958 -44.578 -16.213 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.667 -42.850 -16.165 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.612 -42.760 -18.648 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.812 -44.499 -18.736 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.497 -45.169 -18.300 1.00 0.00 H new ATOM 0 HE2 MET A 17 -5.031 -45.534 -19.239 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.024 -45.723 -17.470 1.00 0.00 H new ATOM 297 N LEU A 18 -0.338 -44.992 -14.528 1.00 0.00 N ATOM 298 CA LEU A 18 0.163 -44.986 -13.148 1.00 0.00 C ATOM 299 C LEU A 18 1.692 -45.155 -13.100 1.00 0.00 C ATOM 300 O LEU A 18 2.393 -44.491 -12.326 1.00 0.00 O ATOM 301 CB LEU A 18 -0.588 -46.054 -12.311 1.00 0.00 C ATOM 302 CG LEU A 18 -2.134 -45.892 -12.331 1.00 0.00 C ATOM 303 CD1 LEU A 18 -2.807 -47.000 -11.514 1.00 0.00 C ATOM 304 CD2 LEU A 18 -2.596 -44.531 -11.790 1.00 0.00 C ATOM 0 H LEU A 18 -0.657 -45.909 -14.842 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.041 -44.013 -12.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.331 -47.044 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.240 -46.005 -11.279 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.430 -45.961 -13.378 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.888 -46.867 -11.542 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.550 -47.971 -11.937 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.462 -46.951 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.684 -44.475 -11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.263 -44.417 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.170 -43.734 -12.399 1.00 0.00 H new ATOM 316 N LYS A 19 2.226 -46.034 -13.951 1.00 0.00 N ATOM 317 CA LYS A 19 3.640 -45.944 -14.341 1.00 0.00 C ATOM 318 C LYS A 19 4.059 -44.568 -14.938 1.00 0.00 C ATOM 319 O LYS A 19 5.134 -44.060 -14.605 1.00 0.00 O ATOM 320 CB LYS A 19 3.805 -47.099 -15.367 1.00 0.00 C ATOM 321 CG LYS A 19 5.071 -47.172 -16.255 1.00 0.00 C ATOM 322 CD LYS A 19 4.879 -48.319 -17.266 1.00 0.00 C ATOM 323 CE LYS A 19 6.107 -48.645 -18.100 1.00 0.00 C ATOM 324 NZ LYS A 19 5.680 -49.615 -19.104 1.00 0.00 N ATOM 0 H LYS A 19 1.713 -46.805 -14.379 1.00 0.00 H new ATOM 0 HA LYS A 19 4.294 -46.032 -13.474 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.743 -48.036 -14.813 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.943 -47.066 -16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.226 -46.227 -16.776 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.956 -47.348 -15.643 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.576 -49.215 -16.724 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.060 -48.060 -17.937 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.505 -47.747 -18.573 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.901 -49.056 -17.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.450 -49.770 -19.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.443 -50.515 -18.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.843 -49.252 -19.603 1.00 0.00 H new ATOM 338 N LYS A 20 3.272 -43.916 -15.812 1.00 0.00 N ATOM 339 CA LYS A 20 3.532 -42.533 -16.240 1.00 0.00 C ATOM 340 C LYS A 20 3.300 -41.501 -15.104 1.00 0.00 C ATOM 341 O LYS A 20 3.784 -40.369 -15.209 1.00 0.00 O ATOM 342 CB LYS A 20 2.652 -42.179 -17.470 1.00 0.00 C ATOM 343 CG LYS A 20 3.227 -41.029 -18.339 1.00 0.00 C ATOM 344 CD LYS A 20 2.202 -39.935 -18.739 1.00 0.00 C ATOM 345 CE LYS A 20 1.645 -39.056 -17.598 1.00 0.00 C ATOM 346 NZ LYS A 20 2.756 -38.495 -16.834 1.00 0.00 N ATOM 0 H LYS A 20 2.443 -44.331 -16.238 1.00 0.00 H new ATOM 0 HA LYS A 20 4.586 -42.477 -16.513 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.536 -43.068 -18.090 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.657 -41.899 -17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.046 -40.557 -17.796 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.652 -41.457 -19.247 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.672 -39.281 -19.474 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.362 -40.421 -19.235 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.030 -38.255 -18.008 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.004 -39.649 -16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.436 -37.644 -16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.094 -39.198 -16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.530 -38.243 -17.481 1.00 0.00 H new ATOM 360 N CYS A 21 2.523 -41.807 -14.049 1.00 0.00 N ATOM 361 CA CYS A 21 2.522 -41.047 -12.790 1.00 0.00 C ATOM 362 C CYS A 21 3.871 -41.146 -12.031 1.00 0.00 C ATOM 363 O CYS A 21 4.320 -40.141 -11.468 1.00 0.00 O ATOM 364 CB CYS A 21 1.328 -41.528 -11.944 1.00 0.00 C ATOM 365 SG CYS A 21 0.700 -40.354 -10.720 1.00 0.00 S ATOM 0 H CYS A 21 1.875 -42.594 -14.048 1.00 0.00 H new ATOM 0 HA CYS A 21 2.409 -39.985 -13.007 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.513 -41.790 -12.618 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.620 -42.441 -11.426 1.00 0.00 H new ATOM 370 N CYS A 22 4.551 -42.315 -12.036 1.00 0.00 N ATOM 371 CA CYS A 22 6.004 -42.394 -11.739 1.00 0.00 C ATOM 372 C CYS A 22 6.789 -41.413 -12.594 1.00 0.00 C ATOM 373 O CYS A 22 7.507 -40.556 -12.080 1.00 0.00 O ATOM 374 CB CYS A 22 6.578 -43.840 -11.775 1.00 0.00 C ATOM 375 SG CYS A 22 7.883 -44.176 -10.549 1.00 0.00 S ATOM 0 H CYS A 22 4.120 -43.216 -12.242 1.00 0.00 H new ATOM 0 HA CYS A 22 6.127 -42.089 -10.700 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.761 -44.544 -11.617 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.977 -44.033 -12.771 1.00 0.00 H new ATOM 380 N TYR A 23 6.617 -41.489 -13.899 1.00 0.00 N ATOM 381 CA TYR A 23 7.430 -40.670 -14.783 1.00 0.00 C ATOM 382 C TYR A 23 7.048 -39.164 -14.789 1.00 0.00 C ATOM 383 O TYR A 23 7.869 -38.318 -15.144 1.00 0.00 O ATOM 384 CB TYR A 23 7.523 -41.430 -16.102 1.00 0.00 C ATOM 385 CG TYR A 23 8.018 -42.898 -15.924 1.00 0.00 C ATOM 386 CD1 TYR A 23 8.550 -43.496 -14.755 1.00 0.00 C ATOM 387 CD2 TYR A 23 8.012 -43.675 -17.068 1.00 0.00 C ATOM 388 CE1 TYR A 23 9.080 -44.771 -14.803 1.00 0.00 C ATOM 389 CE2 TYR A 23 8.536 -44.950 -17.105 1.00 0.00 C ATOM 390 CZ TYR A 23 9.079 -45.492 -15.969 1.00 0.00 C ATOM 391 OH TYR A 23 9.619 -46.737 -15.986 1.00 0.00 O ATOM 0 H TYR A 23 5.940 -42.093 -14.365 1.00 0.00 H new ATOM 0 HA TYR A 23 8.452 -40.543 -14.425 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.544 -41.438 -16.581 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.201 -40.902 -16.772 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.541 -42.953 -13.822 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.579 -43.267 -17.969 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.501 -45.206 -13.909 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.519 -45.518 -18.023 1.00 0.00 H new ATOM 0 HH TYR A 23 9.539 -47.116 -16.886 1.00 0.00 H new ATOM 401 N ASP A 24 5.824 -38.822 -14.343 1.00 0.00 N ATOM 402 CA ASP A 24 5.434 -37.494 -13.837 1.00 0.00 C ATOM 403 C ASP A 24 6.274 -37.072 -12.617 1.00 0.00 C ATOM 404 O ASP A 24 6.790 -35.957 -12.608 1.00 0.00 O ATOM 405 CB ASP A 24 3.912 -37.515 -13.476 1.00 0.00 C ATOM 406 CG ASP A 24 3.163 -36.322 -14.056 1.00 0.00 C ATOM 407 OD1 ASP A 24 3.232 -35.222 -13.503 1.00 0.00 O ATOM 408 OD2 ASP A 24 2.520 -36.528 -15.087 1.00 0.00 O ATOM 0 H ASP A 24 5.052 -39.488 -14.325 1.00 0.00 H new ATOM 0 HA ASP A 24 5.621 -36.757 -14.618 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.465 -38.437 -13.848 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.798 -37.520 -12.392 1.00 0.00 H new ATOM 413 N GLY A 25 6.425 -37.943 -11.606 1.00 0.00 N ATOM 414 CA GLY A 25 7.348 -37.720 -10.482 1.00 0.00 C ATOM 415 C GLY A 25 8.820 -37.538 -10.866 1.00 0.00 C ATOM 416 O GLY A 25 9.498 -36.697 -10.277 1.00 0.00 O ATOM 0 H GLY A 25 5.910 -38.822 -11.545 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.021 -36.836 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.271 -38.565 -9.797 1.00 0.00 H new ATOM 420 N ALA A 26 9.318 -38.331 -11.824 1.00 0.00 N ATOM 421 CA ALA A 26 10.664 -38.164 -12.379 1.00 0.00 C ATOM 422 C ALA A 26 10.853 -36.849 -13.167 1.00 0.00 C ATOM 423 O ALA A 26 11.874 -36.176 -12.996 1.00 0.00 O ATOM 424 CB ALA A 26 11.001 -39.384 -13.258 1.00 0.00 C ATOM 0 H ALA A 26 8.797 -39.106 -12.235 1.00 0.00 H new ATOM 0 HA ALA A 26 11.355 -38.099 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.001 -39.267 -13.675 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.964 -40.290 -12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 26 10.277 -39.459 -14.069 1.00 0.00 H new ATOM 430 N TYR A 27 9.894 -36.449 -14.018 1.00 0.00 N ATOM 431 CA TYR A 27 9.956 -35.195 -14.779 1.00 0.00 C ATOM 432 C TYR A 27 9.676 -33.941 -13.901 1.00 0.00 C ATOM 433 O TYR A 27 8.669 -33.228 -14.033 1.00 0.00 O ATOM 434 CB TYR A 27 8.967 -35.367 -15.972 1.00 0.00 C ATOM 435 CG TYR A 27 9.129 -34.314 -17.080 1.00 0.00 C ATOM 436 CD1 TYR A 27 10.235 -34.288 -17.914 1.00 0.00 C ATOM 437 CD2 TYR A 27 8.140 -33.375 -17.316 1.00 0.00 C ATOM 438 CE1 TYR A 27 10.344 -33.366 -18.938 1.00 0.00 C ATOM 439 CE2 TYR A 27 8.238 -32.451 -18.336 1.00 0.00 C ATOM 440 CZ TYR A 27 9.345 -32.450 -19.148 1.00 0.00 C ATOM 441 OH TYR A 27 9.464 -31.546 -20.153 1.00 0.00 O ATOM 0 H TYR A 27 9.049 -36.992 -14.197 1.00 0.00 H new ATOM 0 HA TYR A 27 10.963 -35.008 -15.152 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.106 -36.358 -16.405 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.946 -35.325 -15.592 1.00 0.00 H new ATOM 0 HD1 TYR A 27 11.029 -35.004 -17.761 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.265 -33.365 -16.683 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.217 -33.367 -19.574 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.448 -31.732 -18.495 1.00 0.00 H new ATOM 0 HH TYR A 27 8.672 -30.969 -20.170 1.00 0.00 H new ATOM 451 N ARG A 28 10.596 -33.642 -12.967 1.00 0.00 N ATOM 452 CA ARG A 28 10.528 -32.438 -12.126 1.00 0.00 C ATOM 453 C ARG A 28 11.011 -31.161 -12.867 1.00 0.00 C ATOM 454 O ARG A 28 12.007 -30.501 -12.543 1.00 0.00 O ATOM 455 CB ARG A 28 11.284 -32.736 -10.810 1.00 0.00 C ATOM 456 CG ARG A 28 11.075 -31.678 -9.700 1.00 0.00 C ATOM 457 CD ARG A 28 11.793 -32.101 -8.425 1.00 0.00 C ATOM 458 NE ARG A 28 11.662 -31.033 -7.435 1.00 0.00 N ATOM 459 CZ ARG A 28 11.974 -31.129 -6.175 1.00 0.00 C ATOM 460 NH1 ARG A 28 12.304 -32.213 -5.593 1.00 0.00 N ATOM 461 NH2 ARG A 28 11.908 -30.071 -5.478 1.00 0.00 N ATOM 0 H ARG A 28 11.407 -34.230 -12.775 1.00 0.00 H new ATOM 0 HA ARG A 28 9.491 -32.206 -11.883 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.965 -33.708 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.350 -32.812 -11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.452 -30.711 -10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.010 -31.554 -9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.365 -33.027 -8.040 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.845 -32.297 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 28 11.295 -30.138 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.337 -33.086 -6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.536 -32.208 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.620 -29.193 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.143 -30.098 -4.486 1.00 0.00 H new ATOM 475 N ASN A 29 10.254 -30.841 -13.925 1.00 0.00 N ATOM 476 CA ASN A 29 10.472 -29.661 -14.765 1.00 0.00 C ATOM 477 C ASN A 29 9.265 -28.702 -14.797 1.00 0.00 C ATOM 478 O ASN A 29 9.455 -27.493 -14.917 1.00 0.00 O ATOM 479 CB ASN A 29 10.821 -30.132 -16.204 1.00 0.00 C ATOM 480 CG ASN A 29 12.150 -30.888 -16.240 1.00 0.00 C ATOM 481 OD1 ASN A 29 12.209 -32.102 -16.101 1.00 0.00 O ATOM 482 ND2 ASN A 29 13.270 -30.218 -16.426 1.00 0.00 N ATOM 0 H ASN A 29 9.460 -31.406 -14.224 1.00 0.00 H new ATOM 0 HA ASN A 29 11.295 -29.094 -14.330 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.025 -30.775 -16.580 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.874 -29.269 -16.868 1.00 0.00 H new ATOM 0 HD21 ASN A 29 14.162 -30.712 -16.452 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.245 -29.205 -16.544 1.00 0.00 H new ATOM 489 N ASP A 30 8.030 -29.224 -14.712 1.00 0.00 N ATOM 490 CA ASP A 30 6.791 -28.427 -14.711 1.00 0.00 C ATOM 491 C ASP A 30 6.623 -27.528 -13.466 1.00 0.00 C ATOM 492 O ASP A 30 6.083 -26.426 -13.547 1.00 0.00 O ATOM 493 CB ASP A 30 5.557 -29.370 -14.822 1.00 0.00 C ATOM 494 CG ASP A 30 5.725 -30.407 -15.927 1.00 0.00 C ATOM 495 OD1 ASP A 30 5.381 -30.126 -17.071 1.00 0.00 O ATOM 496 OD2 ASP A 30 6.228 -31.486 -15.619 1.00 0.00 O ATOM 0 H ASP A 30 7.861 -30.227 -14.641 1.00 0.00 H new ATOM 0 HA ASP A 30 6.862 -27.764 -15.573 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.402 -29.877 -13.870 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.664 -28.776 -15.016 1.00 0.00 H new ATOM 501 N ASP A 31 7.076 -28.022 -12.309 1.00 0.00 N ATOM 502 CA ASP A 31 7.036 -27.312 -11.033 1.00 0.00 C ATOM 503 C ASP A 31 8.323 -27.613 -10.236 1.00 0.00 C ATOM 504 O ASP A 31 8.869 -28.720 -10.286 1.00 0.00 O ATOM 505 CB ASP A 31 5.771 -27.775 -10.248 1.00 0.00 C ATOM 506 CG ASP A 31 5.466 -26.940 -9.003 1.00 0.00 C ATOM 507 OD1 ASP A 31 6.132 -27.111 -7.981 1.00 0.00 O ATOM 508 OD2 ASP A 31 4.532 -26.141 -9.059 1.00 0.00 O ATOM 0 H ASP A 31 7.491 -28.951 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 31 6.981 -26.235 -11.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.910 -27.740 -10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.902 -28.816 -9.951 1.00 0.00 H new ATOM 513 N GLU A 32 8.778 -26.604 -9.486 1.00 0.00 N ATOM 514 CA GLU A 32 9.966 -26.688 -8.639 1.00 0.00 C ATOM 515 C GLU A 32 9.835 -27.674 -7.455 1.00 0.00 C ATOM 516 O GLU A 32 10.836 -28.278 -7.061 1.00 0.00 O ATOM 517 CB GLU A 32 10.290 -25.251 -8.138 1.00 0.00 C ATOM 518 CG GLU A 32 11.752 -25.061 -7.614 1.00 0.00 C ATOM 519 CD GLU A 32 12.795 -25.079 -8.735 1.00 0.00 C ATOM 520 OE1 GLU A 32 13.273 -26.160 -9.085 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.122 -24.013 -9.246 1.00 0.00 O ATOM 0 H GLU A 32 8.322 -25.692 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 32 10.780 -27.094 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.115 -24.548 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.595 -24.993 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.820 -24.115 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.981 -25.851 -6.899 1.00 0.00 H new ATOM 528 N THR A 33 8.643 -27.873 -6.870 1.00 0.00 N ATOM 529 CA THR A 33 8.444 -28.749 -5.704 1.00 0.00 C ATOM 530 C THR A 33 7.487 -29.917 -6.000 1.00 0.00 C ATOM 531 O THR A 33 6.261 -29.755 -5.983 1.00 0.00 O ATOM 532 CB THR A 33 7.939 -27.950 -4.468 1.00 0.00 C ATOM 533 OG1 THR A 33 6.864 -27.086 -4.806 1.00 0.00 O ATOM 534 CG2 THR A 33 9.015 -27.065 -3.858 1.00 0.00 C ATOM 0 H THR A 33 7.785 -27.428 -7.195 1.00 0.00 H new ATOM 0 HA THR A 33 9.423 -29.171 -5.475 1.00 0.00 H new ATOM 0 HB THR A 33 7.629 -28.714 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.203 -27.578 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.605 -26.532 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.854 -27.682 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.359 -26.346 -4.601 1.00 0.00 H new ATOM 542 N CYS A 34 8.050 -31.114 -6.237 1.00 0.00 N ATOM 543 CA CYS A 34 7.281 -32.301 -6.638 1.00 0.00 C ATOM 544 C CYS A 34 6.251 -32.815 -5.610 1.00 0.00 C ATOM 545 O CYS A 34 5.195 -33.310 -6.006 1.00 0.00 O ATOM 546 CB CYS A 34 8.188 -33.435 -7.175 1.00 0.00 C ATOM 547 SG CYS A 34 9.423 -34.142 -6.055 1.00 0.00 S ATOM 0 H CYS A 34 9.052 -31.284 -6.155 1.00 0.00 H new ATOM 0 HA CYS A 34 6.666 -31.941 -7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.543 -34.245 -7.514 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.712 -33.056 -8.052 1.00 0.00 H new ATOM 552 N GLU A 35 6.520 -32.676 -4.306 1.00 0.00 N ATOM 553 CA GLU A 35 5.577 -33.009 -3.233 1.00 0.00 C ATOM 554 C GLU A 35 4.339 -32.081 -3.192 1.00 0.00 C ATOM 555 O GLU A 35 3.229 -32.554 -2.947 1.00 0.00 O ATOM 556 CB GLU A 35 6.368 -32.929 -1.896 1.00 0.00 C ATOM 557 CG GLU A 35 5.654 -33.549 -0.651 1.00 0.00 C ATOM 558 CD GLU A 35 5.766 -35.074 -0.599 1.00 0.00 C ATOM 559 OE1 GLU A 35 6.792 -35.587 -0.150 1.00 0.00 O ATOM 560 OE2 GLU A 35 4.819 -35.771 -0.964 1.00 0.00 O ATOM 0 H GLU A 35 7.413 -32.323 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 35 5.177 -34.008 -3.409 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.326 -33.431 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.584 -31.882 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.085 -33.127 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.601 -33.267 -0.664 1.00 0.00 H new ATOM 567 N GLU A 36 4.495 -30.768 -3.433 1.00 0.00 N ATOM 568 CA GLU A 36 3.375 -29.815 -3.488 1.00 0.00 C ATOM 569 C GLU A 36 2.555 -30.016 -4.784 1.00 0.00 C ATOM 570 O GLU A 36 1.319 -30.031 -4.777 1.00 0.00 O ATOM 571 CB GLU A 36 3.944 -28.370 -3.360 1.00 0.00 C ATOM 572 CG GLU A 36 2.987 -27.327 -2.682 1.00 0.00 C ATOM 573 CD GLU A 36 1.722 -26.980 -3.473 1.00 0.00 C ATOM 574 OE1 GLU A 36 1.838 -26.486 -4.597 1.00 0.00 O ATOM 575 OE2 GLU A 36 0.633 -27.189 -2.948 1.00 0.00 O ATOM 0 H GLU A 36 5.405 -30.337 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 36 2.688 -29.988 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.871 -28.412 -2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.200 -28.009 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.690 -27.713 -1.707 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.547 -26.409 -2.504 1.00 0.00 H new ATOM 582 N ARG A 37 3.283 -30.206 -5.892 1.00 0.00 N ATOM 583 CA ARG A 37 2.737 -30.713 -7.149 1.00 0.00 C ATOM 584 C ARG A 37 1.944 -32.024 -6.952 1.00 0.00 C ATOM 585 O ARG A 37 0.833 -32.123 -7.468 1.00 0.00 O ATOM 586 CB ARG A 37 3.949 -30.898 -8.086 1.00 0.00 C ATOM 587 CG ARG A 37 3.691 -31.466 -9.490 1.00 0.00 C ATOM 588 CD ARG A 37 5.017 -31.782 -10.174 1.00 0.00 C ATOM 589 NE ARG A 37 4.744 -32.476 -11.429 1.00 0.00 N ATOM 590 CZ ARG A 37 5.615 -32.709 -12.370 1.00 0.00 C ATOM 591 NH1 ARG A 37 6.827 -32.298 -12.352 1.00 0.00 N ATOM 592 NH2 ARG A 37 5.262 -33.389 -13.382 1.00 0.00 N ATOM 0 H ARG A 37 4.283 -30.008 -5.937 1.00 0.00 H new ATOM 0 HA ARG A 37 2.014 -30.017 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.434 -29.929 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.662 -31.554 -7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.084 -32.368 -9.421 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.127 -30.747 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.572 -30.863 -10.363 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.637 -32.402 -9.527 1.00 0.00 H new ATOM 0 HE ARG A 37 3.791 -32.806 -11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.167 -31.748 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.452 -32.520 -13.127 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.308 -33.744 -13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.932 -33.580 -14.127 1.00 0.00 H new ATOM 606 N ALA A 38 2.435 -33.043 -6.231 1.00 0.00 N ATOM 607 CA ALA A 38 1.640 -34.231 -5.905 1.00 0.00 C ATOM 608 C ALA A 38 0.700 -34.153 -4.682 1.00 0.00 C ATOM 609 O ALA A 38 0.011 -35.125 -4.368 1.00 0.00 O ATOM 610 CB ALA A 38 2.541 -35.444 -5.931 1.00 0.00 C ATOM 0 H ALA A 38 3.386 -33.065 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 38 0.888 -34.314 -6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.960 -36.334 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.976 -35.553 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.338 -35.321 -5.197 1.00 0.00 H new ATOM 616 N ALA A 39 0.650 -33.037 -3.947 1.00 0.00 N ATOM 617 CA ALA A 39 -0.579 -32.625 -3.263 1.00 0.00 C ATOM 618 C ALA A 39 -1.695 -32.228 -4.260 1.00 0.00 C ATOM 619 O ALA A 39 -2.879 -32.413 -3.964 1.00 0.00 O ATOM 620 CB ALA A 39 -0.266 -31.482 -2.278 1.00 0.00 C ATOM 0 H ALA A 39 1.441 -32.407 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.961 -33.478 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.182 -31.178 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.460 -31.825 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.145 -30.633 -2.824 1.00 0.00 H new ATOM 626 N ARG A 40 -1.351 -31.654 -5.426 1.00 0.00 N ATOM 627 CA ARG A 40 -2.304 -31.465 -6.537 1.00 0.00 C ATOM 628 C ARG A 40 -2.643 -32.785 -7.286 1.00 0.00 C ATOM 629 O ARG A 40 -3.815 -33.024 -7.582 1.00 0.00 O ATOM 630 CB ARG A 40 -1.772 -30.412 -7.553 1.00 0.00 C ATOM 631 CG ARG A 40 -1.247 -29.093 -6.933 1.00 0.00 C ATOM 632 CD ARG A 40 -0.549 -28.225 -7.990 1.00 0.00 C ATOM 633 NE ARG A 40 0.500 -27.457 -7.322 1.00 0.00 N ATOM 634 CZ ARG A 40 1.552 -26.945 -7.892 1.00 0.00 C ATOM 635 NH1 ARG A 40 1.797 -26.948 -9.146 1.00 0.00 N ATOM 636 NH2 ARG A 40 2.423 -26.389 -7.155 1.00 0.00 N ATOM 0 H ARG A 40 -0.412 -31.310 -5.626 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.226 -31.105 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.968 -30.866 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.572 -30.171 -8.252 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.076 -28.539 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.550 -29.319 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.123 -28.850 -8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.265 -27.557 -8.468 1.00 0.00 H new ATOM 0 HE ARG A 40 0.398 -27.309 -6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.137 -27.379 -9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.653 -26.520 -9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.288 -26.352 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.258 -25.979 -7.573 1.00 0.00 H new ATOM 650 N ILE A 41 -1.664 -33.630 -7.668 1.00 0.00 N ATOM 651 CA ILE A 41 -1.875 -34.984 -8.216 1.00 0.00 C ATOM 652 C ILE A 41 -2.447 -36.000 -7.198 1.00 0.00 C ATOM 653 O ILE A 41 -1.807 -36.793 -6.507 1.00 0.00 O ATOM 654 CB ILE A 41 -0.667 -35.545 -9.035 1.00 0.00 C ATOM 655 CG1 ILE A 41 -0.321 -34.655 -10.245 1.00 0.00 C ATOM 656 CG2 ILE A 41 -0.921 -36.915 -9.603 1.00 0.00 C ATOM 657 CD1 ILE A 41 0.938 -33.926 -9.901 1.00 0.00 C ATOM 0 H ILE A 41 -0.677 -33.382 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.668 -34.842 -8.950 1.00 0.00 H new ATOM 0 HB ILE A 41 0.147 -35.574 -8.310 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.185 -35.259 -11.142 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.129 -33.954 -10.452 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.044 -37.246 -10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.121 -37.614 -8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.782 -36.878 -10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.223 -33.281 -10.732 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.776 -33.320 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.734 -34.645 -9.710 1.00 0.00 H new ATOM 669 N LYS A 42 -3.766 -35.889 -7.215 1.00 0.00 N ATOM 670 CA LYS A 42 -4.717 -36.672 -6.419 1.00 0.00 C ATOM 671 C LYS A 42 -5.395 -37.844 -7.170 1.00 0.00 C ATOM 672 O LYS A 42 -6.360 -38.415 -6.659 1.00 0.00 O ATOM 673 CB LYS A 42 -5.802 -35.713 -5.852 1.00 0.00 C ATOM 674 CG LYS A 42 -5.311 -34.792 -4.715 1.00 0.00 C ATOM 675 CD LYS A 42 -6.490 -33.962 -4.161 1.00 0.00 C ATOM 676 CE LYS A 42 -6.140 -33.067 -2.968 1.00 0.00 C ATOM 677 NZ LYS A 42 -5.295 -31.963 -3.407 1.00 0.00 N ATOM 0 H LYS A 42 -4.235 -35.213 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.135 -37.142 -5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.183 -35.094 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.639 -36.308 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.869 -35.389 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.530 -34.128 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.885 -33.338 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.288 -34.643 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.052 -32.680 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.625 -33.649 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.269 -31.231 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.331 -32.312 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.681 -31.557 -4.283 1.00 0.00 H new ATOM 691 N ILE A 43 -4.901 -38.241 -8.354 1.00 0.00 N ATOM 692 CA ILE A 43 -5.596 -39.150 -9.285 1.00 0.00 C ATOM 693 C ILE A 43 -5.845 -40.573 -8.725 1.00 0.00 C ATOM 694 O ILE A 43 -6.919 -41.137 -8.951 1.00 0.00 O ATOM 695 CB ILE A 43 -4.842 -39.143 -10.668 1.00 0.00 C ATOM 696 CG1 ILE A 43 -4.891 -37.717 -11.301 1.00 0.00 C ATOM 697 CG2 ILE A 43 -5.410 -40.181 -11.678 1.00 0.00 C ATOM 698 CD1 ILE A 43 -3.928 -37.496 -12.492 1.00 0.00 C ATOM 0 H ILE A 43 -3.991 -37.935 -8.699 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.607 -38.769 -9.432 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.811 -39.428 -10.460 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.909 -37.519 -11.635 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.662 -36.984 -10.527 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.848 -40.126 -12.610 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.321 -41.183 -11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.460 -39.962 -11.873 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.036 -36.477 -12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.901 -37.656 -12.164 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.168 -38.199 -13.289 1.00 0.00 H new ATOM 710 N GLY A 44 -4.903 -41.164 -7.976 1.00 0.00 N ATOM 711 CA GLY A 44 -5.110 -42.474 -7.342 1.00 0.00 C ATOM 712 C GLY A 44 -4.049 -42.865 -6.290 1.00 0.00 C ATOM 713 O GLY A 44 -2.954 -42.295 -6.333 1.00 0.00 O ATOM 0 H GLY A 44 -3.987 -40.754 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.091 -42.480 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.128 -43.238 -8.119 1.00 0.00 H new ATOM 717 N PRO A 45 -4.290 -43.813 -5.345 1.00 0.00 N ATOM 718 CA PRO A 45 -3.286 -44.324 -4.385 1.00 0.00 C ATOM 719 C PRO A 45 -1.977 -44.849 -5.012 1.00 0.00 C ATOM 720 O PRO A 45 -0.888 -44.436 -4.603 1.00 0.00 O ATOM 721 CB PRO A 45 -4.035 -45.446 -3.644 1.00 0.00 C ATOM 722 CG PRO A 45 -5.456 -44.931 -3.639 1.00 0.00 C ATOM 723 CD PRO A 45 -5.612 -44.385 -5.055 1.00 0.00 C ATOM 0 HA PRO A 45 -2.932 -43.516 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.950 -46.402 -4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.652 -45.594 -2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.174 -45.723 -3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.605 -44.157 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.874 -45.172 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.397 -43.631 -5.111 1.00 0.00 H new ATOM 731 N LYS A 46 -2.087 -45.737 -6.015 1.00 0.00 N ATOM 732 CA LYS A 46 -0.950 -46.217 -6.807 1.00 0.00 C ATOM 733 C LYS A 46 -0.224 -45.097 -7.579 1.00 0.00 C ATOM 734 O LYS A 46 0.998 -45.164 -7.734 1.00 0.00 O ATOM 735 CB LYS A 46 -1.400 -47.332 -7.784 1.00 0.00 C ATOM 736 CG LYS A 46 -1.698 -48.691 -7.109 1.00 0.00 C ATOM 737 CD LYS A 46 -2.087 -49.796 -8.131 1.00 0.00 C ATOM 738 CE LYS A 46 -0.969 -50.770 -8.567 1.00 0.00 C ATOM 739 NZ LYS A 46 0.061 -50.106 -9.365 1.00 0.00 N ATOM 0 H LYS A 46 -2.978 -46.144 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.232 -46.620 -6.093 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.294 -46.998 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.623 -47.476 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.821 -49.013 -6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.508 -48.565 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.900 -50.383 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.480 -49.309 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.511 -51.214 -7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.404 -51.585 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.824 -50.780 -9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.356 -49.763 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.449 -49.302 -8.832 1.00 0.00 H new ATOM 753 N CYS A 47 -0.968 -44.065 -8.017 1.00 0.00 N ATOM 754 CA CYS A 47 -0.417 -42.876 -8.672 1.00 0.00 C ATOM 755 C CYS A 47 0.481 -42.111 -7.684 1.00 0.00 C ATOM 756 O CYS A 47 1.668 -41.970 -7.979 1.00 0.00 O ATOM 757 CB CYS A 47 -1.569 -41.967 -9.192 1.00 0.00 C ATOM 758 SG CYS A 47 -1.256 -40.838 -10.581 1.00 0.00 S ATOM 0 H CYS A 47 -1.983 -44.038 -7.922 1.00 0.00 H new ATOM 0 HA CYS A 47 0.186 -43.181 -9.527 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.395 -42.618 -9.479 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.915 -41.364 -8.352 1.00 0.00 H new ATOM 763 N VAL A 48 -0.021 -41.641 -6.521 1.00 0.00 N ATOM 764 CA VAL A 48 0.838 -41.040 -5.486 1.00 0.00 C ATOM 765 C VAL A 48 2.005 -41.920 -4.997 1.00 0.00 C ATOM 766 O VAL A 48 3.071 -41.358 -4.757 1.00 0.00 O ATOM 767 CB VAL A 48 0.103 -40.378 -4.268 1.00 0.00 C ATOM 768 CG1 VAL A 48 0.137 -38.850 -4.384 1.00 0.00 C ATOM 769 CG2 VAL A 48 -1.364 -40.778 -4.091 1.00 0.00 C ATOM 0 H VAL A 48 -1.012 -41.667 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 48 1.271 -40.221 -6.061 1.00 0.00 H new ATOM 0 HB VAL A 48 0.653 -40.747 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.378 -38.409 -3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.172 -38.509 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.359 -38.544 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.778 -40.266 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.928 -40.497 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.432 -41.856 -3.943 1.00 0.00 H new ATOM 779 N LYS A 49 1.866 -43.251 -4.834 1.00 0.00 N ATOM 780 CA LYS A 49 3.013 -44.149 -4.581 1.00 0.00 C ATOM 781 C LYS A 49 4.119 -44.061 -5.660 1.00 0.00 C ATOM 782 O LYS A 49 5.285 -43.791 -5.338 1.00 0.00 O ATOM 783 CB LYS A 49 2.567 -45.631 -4.479 1.00 0.00 C ATOM 784 CG LYS A 49 1.708 -46.024 -3.258 1.00 0.00 C ATOM 785 CD LYS A 49 1.281 -47.513 -3.354 1.00 0.00 C ATOM 786 CE LYS A 49 2.392 -48.521 -3.017 1.00 0.00 C ATOM 787 NZ LYS A 49 2.147 -49.746 -3.770 1.00 0.00 N ATOM 0 H LYS A 49 0.967 -43.730 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 49 3.425 -43.805 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.007 -45.879 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.461 -46.254 -4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 49 2.272 -45.859 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.824 -45.388 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.440 -47.680 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.924 -47.710 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.368 -48.108 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.403 -48.729 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.482 -50.564 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.128 -49.845 -3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.656 -49.704 -4.676 1.00 0.00 H new ATOM 801 N ALA A 50 3.728 -44.272 -6.933 1.00 0.00 N ATOM 802 CA ALA A 50 4.606 -44.159 -8.104 1.00 0.00 C ATOM 803 C ALA A 50 5.267 -42.764 -8.146 1.00 0.00 C ATOM 804 O ALA A 50 6.500 -42.648 -8.136 1.00 0.00 O ATOM 805 CB ALA A 50 3.713 -44.425 -9.360 1.00 0.00 C ATOM 0 H ALA A 50 2.772 -44.531 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 50 5.422 -44.881 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.322 -44.352 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.280 -45.423 -9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.914 -43.685 -9.401 1.00 0.00 H new ATOM 811 N PHE A 51 4.411 -41.729 -8.063 1.00 0.00 N ATOM 812 CA PHE A 51 4.815 -40.326 -8.026 1.00 0.00 C ATOM 813 C PHE A 51 5.808 -40.058 -6.891 1.00 0.00 C ATOM 814 O PHE A 51 6.894 -39.579 -7.202 1.00 0.00 O ATOM 815 CB PHE A 51 3.564 -39.425 -7.840 1.00 0.00 C ATOM 816 CG PHE A 51 3.767 -38.011 -8.400 1.00 0.00 C ATOM 817 CD1 PHE A 51 4.743 -37.144 -7.935 1.00 0.00 C ATOM 818 CD2 PHE A 51 3.025 -37.590 -9.484 1.00 0.00 C ATOM 819 CE1 PHE A 51 4.981 -35.932 -8.553 1.00 0.00 C ATOM 820 CE2 PHE A 51 3.247 -36.393 -10.098 1.00 0.00 C ATOM 821 CZ PHE A 51 4.239 -35.558 -9.648 1.00 0.00 C ATOM 0 H PHE A 51 3.400 -41.856 -8.019 1.00 0.00 H new ATOM 0 HA PHE A 51 5.306 -40.094 -8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.710 -39.888 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.322 -39.360 -6.779 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.330 -37.422 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.241 -38.231 -9.859 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.752 -35.277 -8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.640 -36.101 -10.942 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.434 -34.620 -10.147 1.00 0.00 H new ATOM 831 N LYS A 52 5.487 -40.373 -5.623 1.00 0.00 N ATOM 832 CA LYS A 52 6.375 -40.116 -4.491 1.00 0.00 C ATOM 833 C LYS A 52 7.748 -40.791 -4.620 1.00 0.00 C ATOM 834 O LYS A 52 8.749 -40.101 -4.425 1.00 0.00 O ATOM 835 CB LYS A 52 5.745 -40.576 -3.154 1.00 0.00 C ATOM 836 CG LYS A 52 4.863 -39.533 -2.447 1.00 0.00 C ATOM 837 CD LYS A 52 4.428 -40.132 -1.092 1.00 0.00 C ATOM 838 CE LYS A 52 3.747 -39.164 -0.130 1.00 0.00 C ATOM 839 NZ LYS A 52 4.690 -38.118 0.254 1.00 0.00 N ATOM 0 H LYS A 52 4.604 -40.812 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 52 6.517 -39.035 -4.497 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.145 -41.467 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.547 -40.869 -2.476 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.414 -38.605 -2.296 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.992 -39.292 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.749 -40.963 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.308 -40.546 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.869 -38.722 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.399 -39.698 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.489 -37.809 1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.660 -38.489 0.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.594 -37.310 -0.393 1.00 0.00 H new ATOM 853 N ASP A 53 7.841 -42.090 -4.965 1.00 0.00 N ATOM 854 CA ASP A 53 9.154 -42.740 -5.064 1.00 0.00 C ATOM 855 C ASP A 53 10.015 -42.215 -6.229 1.00 0.00 C ATOM 856 O ASP A 53 11.202 -41.923 -6.019 1.00 0.00 O ATOM 857 CB ASP A 53 8.990 -44.273 -5.043 1.00 0.00 C ATOM 858 CG ASP A 53 8.624 -44.712 -3.628 1.00 0.00 C ATOM 859 OD1 ASP A 53 7.444 -44.717 -3.271 1.00 0.00 O ATOM 860 OD2 ASP A 53 9.528 -45.049 -2.871 1.00 0.00 O ATOM 0 H ASP A 53 7.045 -42.692 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 53 9.731 -42.464 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.214 -44.579 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.915 -44.755 -5.360 1.00 0.00 H new ATOM 865 N CYS A 54 9.431 -42.033 -7.424 1.00 0.00 N ATOM 866 CA CYS A 54 10.109 -41.309 -8.503 1.00 0.00 C ATOM 867 C CYS A 54 10.425 -39.822 -8.168 1.00 0.00 C ATOM 868 O CYS A 54 11.492 -39.341 -8.559 1.00 0.00 O ATOM 869 CB CYS A 54 9.298 -41.458 -9.805 1.00 0.00 C ATOM 870 SG CYS A 54 9.512 -42.988 -10.769 1.00 0.00 S ATOM 0 H CYS A 54 8.500 -42.375 -7.663 1.00 0.00 H new ATOM 0 HA CYS A 54 11.090 -41.764 -8.636 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.241 -41.366 -9.554 1.00 0.00 H new ATOM 0 HB3 CYS A 54 9.546 -40.617 -10.452 1.00 0.00 H new ATOM 875 N CYS A 55 9.558 -39.078 -7.450 1.00 0.00 N ATOM 876 CA CYS A 55 9.844 -37.735 -6.907 1.00 0.00 C ATOM 877 C CYS A 55 10.984 -37.704 -5.873 1.00 0.00 C ATOM 878 O CYS A 55 11.801 -36.781 -5.917 1.00 0.00 O ATOM 879 CB CYS A 55 8.526 -37.099 -6.365 1.00 0.00 C ATOM 880 SG CYS A 55 8.559 -35.735 -5.164 1.00 0.00 S ATOM 0 H CYS A 55 8.617 -39.403 -7.227 1.00 0.00 H new ATOM 0 HA CYS A 55 10.220 -37.126 -7.729 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.964 -36.747 -7.230 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.946 -37.905 -5.915 1.00 0.00 H new ATOM 885 N TYR A 56 11.086 -38.660 -4.938 1.00 0.00 N ATOM 886 CA TYR A 56 12.256 -38.760 -4.058 1.00 0.00 C ATOM 887 C TYR A 56 13.556 -39.106 -4.820 1.00 0.00 C ATOM 888 O TYR A 56 14.629 -38.656 -4.401 1.00 0.00 O ATOM 889 CB TYR A 56 11.971 -39.695 -2.843 1.00 0.00 C ATOM 890 CG TYR A 56 10.755 -39.252 -1.991 1.00 0.00 C ATOM 891 CD1 TYR A 56 10.372 -37.924 -1.828 1.00 0.00 C ATOM 892 CD2 TYR A 56 9.944 -40.200 -1.384 1.00 0.00 C ATOM 893 CE1 TYR A 56 9.240 -37.568 -1.123 1.00 0.00 C ATOM 894 CE2 TYR A 56 8.809 -39.851 -0.671 1.00 0.00 C ATOM 895 CZ TYR A 56 8.452 -38.532 -0.547 1.00 0.00 C ATOM 896 OH TYR A 56 7.317 -38.175 0.116 1.00 0.00 O ATOM 0 H TYR A 56 10.374 -39.372 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 56 12.439 -37.768 -3.646 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.799 -40.708 -3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.856 -39.731 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.980 -37.147 -2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.206 -41.244 -1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.973 -36.526 -1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.204 -40.619 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 56 7.281 -37.199 0.202 1.00 0.00 H new ATOM 906 N ILE A 57 13.519 -39.877 -5.925 1.00 0.00 N ATOM 907 CA ILE A 57 14.654 -39.949 -6.874 1.00 0.00 C ATOM 908 C ILE A 57 14.966 -38.599 -7.547 1.00 0.00 C ATOM 909 O ILE A 57 16.129 -38.187 -7.592 1.00 0.00 O ATOM 910 CB ILE A 57 14.442 -41.060 -7.957 1.00 0.00 C ATOM 911 CG1 ILE A 57 14.130 -42.451 -7.364 1.00 0.00 C ATOM 912 CG2 ILE A 57 15.613 -41.197 -8.969 1.00 0.00 C ATOM 913 CD1 ILE A 57 15.054 -42.911 -6.223 1.00 0.00 C ATOM 0 H ILE A 57 12.721 -40.457 -6.184 1.00 0.00 H new ATOM 0 HA ILE A 57 15.521 -40.216 -6.269 1.00 0.00 H new ATOM 0 HB ILE A 57 13.566 -40.703 -8.498 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.104 -42.448 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.179 -43.187 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.386 -41.988 -9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.747 -40.255 -9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.530 -41.445 -8.434 1.00 0.00 H new ATOM 0 HD11 ILE A 57 14.746 -43.899 -5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.082 -42.956 -6.583 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.990 -42.205 -5.395 1.00 0.00 H new ATOM 925 N ALA A 58 13.930 -37.927 -8.066 1.00 0.00 N ATOM 926 CA ALA A 58 14.029 -36.568 -8.623 1.00 0.00 C ATOM 927 C ALA A 58 14.653 -35.551 -7.640 1.00 0.00 C ATOM 928 O ALA A 58 15.551 -34.799 -8.023 1.00 0.00 O ATOM 929 CB ALA A 58 12.651 -36.087 -9.084 1.00 0.00 C ATOM 0 H ALA A 58 12.988 -38.315 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 58 14.704 -36.627 -9.477 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.735 -35.081 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.268 -36.761 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.967 -36.077 -8.236 1.00 0.00 H new ATOM 935 N ASN A 59 14.202 -35.543 -6.374 1.00 0.00 N ATOM 936 CA ASN A 59 14.774 -34.721 -5.302 1.00 0.00 C ATOM 937 C ASN A 59 16.235 -35.079 -4.955 1.00 0.00 C ATOM 938 O ASN A 59 16.979 -34.193 -4.528 1.00 0.00 O ATOM 939 CB ASN A 59 13.875 -34.833 -4.037 1.00 0.00 C ATOM 940 CG ASN A 59 14.048 -33.616 -3.127 1.00 0.00 C ATOM 941 OD1 ASN A 59 13.223 -32.708 -3.133 1.00 0.00 O ATOM 942 ND2 ASN A 59 15.104 -33.525 -2.340 1.00 0.00 N ATOM 0 H ASN A 59 13.418 -36.117 -6.065 1.00 0.00 H new ATOM 0 HA ASN A 59 14.799 -33.694 -5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.831 -34.921 -4.336 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.127 -35.740 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 59 15.228 -32.706 -1.745 1.00 0.00 H new ATOM 0 HD22 ASN A 59 15.796 -34.274 -2.327 1.00 0.00 H new ATOM 949 N GLN A 60 16.650 -36.351 -5.060 1.00 0.00 N ATOM 950 CA GLN A 60 18.073 -36.709 -5.027 1.00 0.00 C ATOM 951 C GLN A 60 18.841 -36.221 -6.271 1.00 0.00 C ATOM 952 O GLN A 60 19.792 -35.456 -6.099 1.00 0.00 O ATOM 953 CB GLN A 60 18.235 -38.231 -4.818 1.00 0.00 C ATOM 954 CG GLN A 60 17.883 -38.649 -3.365 1.00 0.00 C ATOM 955 CD GLN A 60 17.653 -40.155 -3.262 1.00 0.00 C ATOM 956 OE1 GLN A 60 18.533 -40.936 -2.926 1.00 0.00 O ATOM 957 NE2 GLN A 60 16.449 -40.611 -3.543 1.00 0.00 N ATOM 0 H GLN A 60 16.020 -37.146 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 60 18.520 -36.190 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 60 17.591 -38.765 -5.517 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.261 -38.523 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.690 -38.355 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.988 -38.119 -3.038 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.712 -39.965 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.255 -41.610 -3.480 1.00 0.00 H new ATOM 966 N VAL A 61 18.447 -36.574 -7.510 1.00 0.00 N ATOM 967 CA VAL A 61 19.201 -36.175 -8.713 1.00 0.00 C ATOM 968 C VAL A 61 19.238 -34.656 -8.986 1.00 0.00 C ATOM 969 O VAL A 61 20.178 -34.209 -9.649 1.00 0.00 O ATOM 970 CB VAL A 61 18.857 -36.991 -9.998 1.00 0.00 C ATOM 971 CG1 VAL A 61 19.144 -38.492 -9.803 1.00 0.00 C ATOM 972 CG2 VAL A 61 17.423 -36.808 -10.509 1.00 0.00 C ATOM 0 H VAL A 61 17.615 -37.132 -7.703 1.00 0.00 H new ATOM 0 HA VAL A 61 20.222 -36.450 -8.447 1.00 0.00 H new ATOM 0 HB VAL A 61 19.514 -36.578 -10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 18.894 -39.032 -10.716 1.00 0.00 H new ATOM 0 HG12 VAL A 61 20.201 -38.634 -9.576 1.00 0.00 H new ATOM 0 HG13 VAL A 61 18.541 -38.874 -8.979 1.00 0.00 H new ATOM 0 HG21 VAL A 61 17.276 -37.412 -11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.719 -37.123 -9.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 17.253 -35.758 -10.748 1.00 0.00 H new ATOM 982 N ARG A 62 18.291 -33.839 -8.484 1.00 0.00 N ATOM 983 CA ARG A 62 18.422 -32.372 -8.455 1.00 0.00 C ATOM 984 C ARG A 62 19.636 -31.840 -7.656 1.00 0.00 C ATOM 985 O ARG A 62 20.025 -30.687 -7.854 1.00 0.00 O ATOM 986 CB ARG A 62 17.127 -31.706 -7.904 1.00 0.00 C ATOM 987 CG ARG A 62 15.910 -31.627 -8.860 1.00 0.00 C ATOM 988 CD ARG A 62 16.133 -30.746 -10.103 1.00 0.00 C ATOM 989 NE ARG A 62 14.837 -30.284 -10.613 1.00 0.00 N ATOM 990 CZ ARG A 62 14.269 -29.148 -10.316 1.00 0.00 C ATOM 991 NH1 ARG A 62 14.717 -28.312 -9.459 1.00 0.00 N ATOM 992 NH2 ARG A 62 13.178 -28.837 -10.893 1.00 0.00 N ATOM 0 H ARG A 62 17.415 -34.179 -8.088 1.00 0.00 H new ATOM 0 HA ARG A 62 18.589 -32.097 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.820 -32.251 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.376 -30.693 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.653 -32.635 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.053 -31.243 -8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.761 -29.892 -9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.659 -31.311 -10.873 1.00 0.00 H new ATOM 0 HE ARG A 62 14.339 -30.903 -11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.578 -28.514 -8.951 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.213 -27.443 -9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.763 -29.472 -11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 62 12.719 -27.953 -10.674 1.00 0.00 H new ATOM 1006 N ALA A 63 20.244 -32.618 -6.745 1.00 0.00 N ATOM 1007 CA ALA A 63 21.507 -32.245 -6.102 1.00 0.00 C ATOM 1008 C ALA A 63 22.738 -32.494 -7.003 1.00 0.00 C ATOM 1009 O ALA A 63 23.771 -31.842 -6.842 1.00 0.00 O ATOM 1010 CB ALA A 63 21.623 -33.006 -4.768 1.00 0.00 C ATOM 0 H ALA A 63 19.873 -33.517 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 63 21.495 -31.171 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 63 22.559 -32.739 -4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 63 20.786 -32.739 -4.123 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.607 -34.079 -4.959 1.00 0.00 H new ATOM 1016 N GLU A 64 22.643 -33.439 -7.951 1.00 0.00 N ATOM 1017 CA GLU A 64 23.685 -33.683 -8.953 1.00 0.00 C ATOM 1018 C GLU A 64 23.423 -32.925 -10.271 1.00 0.00 C ATOM 1019 O GLU A 64 24.341 -32.323 -10.829 1.00 0.00 O ATOM 1020 CB GLU A 64 23.846 -35.203 -9.248 1.00 0.00 C ATOM 1021 CG GLU A 64 24.307 -36.087 -8.042 1.00 0.00 C ATOM 1022 CD GLU A 64 23.177 -36.456 -7.077 1.00 0.00 C ATOM 1023 OE1 GLU A 64 22.259 -37.164 -7.489 1.00 0.00 O ATOM 1024 OE2 GLU A 64 23.239 -36.042 -5.923 1.00 0.00 O ATOM 0 H GLU A 64 21.836 -34.057 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 64 24.612 -33.303 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 22.892 -35.586 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 64 24.566 -35.322 -10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 64 24.757 -37.002 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 25.084 -35.557 -7.491 1.00 0.00 H new