USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 57 LYS NZ :NH3+ 157:sc= 2.68 (180deg=1.94) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.46 K(o=4.1,f=-9.8!) USER MOD Set 2.1: A 41 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 1.14 K(o=-1.4,f=-10!) USER MOD Set 3.2: A 34 GLN : amide:sc= -2.56! X(o=-1.4!,f=-1.9) USER MOD Set 4.1: A 15 LYS NZ :NH3+ 153:sc= 0.293! (180deg=-0.138!) USER MOD Set 4.2: A 18 LYS NZ :NH3+ 156:sc= -1.05 (180deg=-1.4!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -159:sc= 1.9 (180deg=1.41) USER MOD Single : A 12 HIS : no HD1:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 MET CE :methyl 174:sc= 0 (180deg=-0.0354) USER MOD Single : A 14 LYS NZ :NH3+ -134:sc= 0.929 (180deg=0.225) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HE2:sc= 1.03 K(o=1,f=-3.4!) USER MOD Single : A 28 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 29 SER OG : rot -36:sc= 1.13 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= 0.246 (180deg=-0.427) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 46 THR OG1 : rot 123:sc= 0.802 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.007 X(o=-0.007,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.42) USER MOD Single : A 70 GLN : amide:sc= 0.023 X(o=0.023,f=-0.27) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0.262 (180deg=-0.284) USER MOD Single : A 79 THR OG1 : rot 120:sc= -0.638 USER MOD Single : A 81 ASN : amide:sc= 0.885 K(o=0.89,f=-0.26) USER MOD Single : A 88 TYR OH : rot 12:sc= 0.994 USER MOD Single : A 95 GLN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 173:sc= 1.31 (180deg=1.09) USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.22) USER MOD Single : A 109 SER OG : rot -30:sc= 1.25 USER MOD Single : A 111 SER OG : rot -80:sc= 1.05 USER MOD Single : A 112 SER OG : rot 39:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 5.748 29.131 4.103 1.00 0.00 N ATOM 85 CA ARG A 7 4.418 29.531 3.606 1.00 0.00 C ATOM 86 C ARG A 7 3.546 28.319 3.305 1.00 0.00 C ATOM 87 O ARG A 7 2.338 28.337 3.543 1.00 0.00 O ATOM 88 CB ARG A 7 4.543 30.369 2.323 1.00 0.00 C ATOM 89 CG ARG A 7 5.162 31.759 2.511 1.00 0.00 C ATOM 90 CD ARG A 7 4.247 32.688 3.310 1.00 0.00 C ATOM 91 NE ARG A 7 4.785 34.060 3.380 1.00 0.00 N ATOM 92 CZ ARG A 7 5.596 34.526 4.326 1.00 0.00 C ATOM 93 NH1 ARG A 7 6.022 33.783 5.320 1.00 0.00 N ATOM 94 NH2 ARG A 7 5.987 35.769 4.270 1.00 0.00 N ATOM 0 HA ARG A 7 3.953 30.123 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.145 29.815 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.551 30.486 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 7 6.119 31.664 3.023 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.365 32.201 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.259 32.708 2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.121 32.295 4.319 1.00 0.00 H new ATOM 0 HE ARG A 7 4.512 34.706 2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.732 32.808 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.643 34.181 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.671 36.369 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.609 36.141 4.988 1.00 0.00 H new ATOM 108 N TYR A 8 4.157 27.272 2.780 1.00 0.00 N ATOM 109 CA TYR A 8 3.439 26.056 2.420 1.00 0.00 C ATOM 110 C TYR A 8 3.507 25.000 3.514 1.00 0.00 C ATOM 111 O TYR A 8 3.006 23.891 3.343 1.00 0.00 O ATOM 112 CB TYR A 8 4.034 25.479 1.132 1.00 0.00 C ATOM 113 CG TYR A 8 4.102 26.471 -0.022 1.00 0.00 C ATOM 114 CD1 TYR A 8 5.213 26.476 -0.891 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.067 27.408 -0.258 1.00 0.00 C ATOM 116 CE1 TYR A 8 5.298 27.403 -1.963 1.00 0.00 C ATOM 117 CE2 TYR A 8 3.161 28.344 -1.327 1.00 0.00 C ATOM 118 CZ TYR A 8 4.281 28.332 -2.163 1.00 0.00 C ATOM 119 OH TYR A 8 4.386 29.242 -3.184 1.00 0.00 O ATOM 0 H TYR A 8 5.159 27.237 2.591 1.00 0.00 H new ATOM 0 HA TYR A 8 2.392 26.323 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.039 25.113 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.439 24.619 0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.011 25.764 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.196 27.413 0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.152 27.387 -2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.370 29.061 -1.491 1.00 0.00 H new ATOM 0 HH TYR A 8 3.594 29.819 -3.190 1.00 0.00 H new ATOM 129 N SER A 9 4.136 25.334 4.636 1.00 0.00 N ATOM 130 CA SER A 9 4.363 24.354 5.704 1.00 0.00 C ATOM 131 C SER A 9 3.100 23.658 6.177 1.00 0.00 C ATOM 132 O SER A 9 3.133 22.479 6.482 1.00 0.00 O ATOM 133 CB SER A 9 5.031 25.012 6.912 1.00 0.00 C ATOM 134 OG SER A 9 4.211 26.040 7.446 1.00 0.00 O ATOM 0 H SER A 9 4.497 26.267 4.833 1.00 0.00 H new ATOM 0 HA SER A 9 5.013 23.598 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.226 24.262 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.996 25.426 6.619 1.00 0.00 H new ATOM 0 HG SER A 9 4.657 26.446 8.219 1.00 0.00 H new ATOM 140 N LYS A 10 1.987 24.375 6.242 1.00 0.00 N ATOM 141 CA LYS A 10 0.739 23.784 6.727 1.00 0.00 C ATOM 142 C LYS A 10 0.233 22.646 5.827 1.00 0.00 C ATOM 143 O LYS A 10 -0.161 21.591 6.322 1.00 0.00 O ATOM 144 CB LYS A 10 -0.331 24.875 6.981 1.00 0.00 C ATOM 145 CG LYS A 10 -1.091 25.462 5.761 1.00 0.00 C ATOM 146 CD LYS A 10 -0.216 26.236 4.760 1.00 0.00 C ATOM 147 CE LYS A 10 -1.088 26.887 3.686 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.274 27.337 2.506 1.00 0.00 N ATOM 0 H LYS A 10 1.918 25.355 5.970 1.00 0.00 H new ATOM 0 HA LYS A 10 0.952 23.315 7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.071 24.461 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.155 25.702 7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.585 24.646 5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.874 26.127 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.359 27.000 5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.502 25.560 4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.847 26.178 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.613 27.741 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.799 28.065 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.629 27.733 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.088 26.525 1.883 1.00 0.00 H new ATOM 162 N GLU A 11 0.256 22.833 4.517 1.00 0.00 N ATOM 163 CA GLU A 11 -0.223 21.792 3.616 1.00 0.00 C ATOM 164 C GLU A 11 0.813 20.698 3.564 1.00 0.00 C ATOM 165 O GLU A 11 0.474 19.525 3.567 1.00 0.00 O ATOM 166 CB GLU A 11 -0.481 22.331 2.209 1.00 0.00 C ATOM 167 CG GLU A 11 -1.567 23.391 2.151 1.00 0.00 C ATOM 168 CD GLU A 11 -2.850 22.944 2.821 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.307 23.636 3.755 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.400 21.895 2.441 1.00 0.00 O ATOM 0 H GLU A 11 0.594 23.679 4.058 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.172 21.410 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.445 22.750 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.759 21.503 1.557 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.208 24.301 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.772 23.640 1.110 1.00 0.00 H new ATOM 177 N HIS A 12 2.080 21.087 3.537 1.00 0.00 N ATOM 178 CA HIS A 12 3.165 20.119 3.503 1.00 0.00 C ATOM 179 C HIS A 12 3.084 19.190 4.705 1.00 0.00 C ATOM 180 O HIS A 12 3.123 17.993 4.535 1.00 0.00 O ATOM 181 CB HIS A 12 4.523 20.824 3.472 1.00 0.00 C ATOM 182 CG HIS A 12 5.687 19.883 3.531 1.00 0.00 C ATOM 183 ND1 HIS A 12 6.151 19.143 2.470 1.00 0.00 N ATOM 184 CD2 HIS A 12 6.495 19.544 4.575 1.00 0.00 C ATOM 185 CE1 HIS A 12 7.177 18.411 2.891 1.00 0.00 C ATOM 186 NE2 HIS A 12 7.436 18.622 4.166 1.00 0.00 N ATOM 0 H HIS A 12 2.380 22.062 3.538 1.00 0.00 H new ATOM 0 HA HIS A 12 3.064 19.528 2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.593 21.420 2.562 1.00 0.00 H new ATOM 0 HB3 HIS A 12 4.583 21.517 4.312 1.00 0.00 H new ATOM 0 HD2 HIS A 12 6.411 19.940 5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.731 17.727 2.265 1.00 0.00 H new ATOM 0 HE2 HIS A 12 8.173 18.196 4.728 1.00 0.00 H new ATOM 194 N MET A 13 2.956 19.719 5.917 1.00 0.00 N ATOM 195 CA MET A 13 2.900 18.852 7.095 1.00 0.00 C ATOM 196 C MET A 13 1.623 18.011 7.126 1.00 0.00 C ATOM 197 O MET A 13 1.667 16.851 7.536 1.00 0.00 O ATOM 198 CB MET A 13 3.074 19.645 8.406 1.00 0.00 C ATOM 199 CG MET A 13 1.883 20.515 8.821 1.00 0.00 C ATOM 200 SD MET A 13 2.178 21.416 10.366 1.00 0.00 S ATOM 201 CE MET A 13 3.351 22.691 9.856 1.00 0.00 C ATOM 0 H MET A 13 2.890 20.718 6.111 1.00 0.00 H new ATOM 0 HA MET A 13 3.743 18.166 7.014 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.283 18.940 9.210 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.951 20.285 8.308 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.665 21.228 8.026 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.001 19.885 8.936 1.00 0.00 H new ATOM 0 HE1 MET A 13 3.529 23.374 10.686 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.291 22.224 9.562 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.942 23.245 9.011 1.00 0.00 H new ATOM 211 N LYS A 14 0.490 18.562 6.688 1.00 0.00 N ATOM 212 CA LYS A 14 -0.748 17.772 6.675 1.00 0.00 C ATOM 213 C LYS A 14 -0.616 16.610 5.705 1.00 0.00 C ATOM 214 O LYS A 14 -0.971 15.485 6.040 1.00 0.00 O ATOM 215 CB LYS A 14 -1.964 18.619 6.296 1.00 0.00 C ATOM 216 CG LYS A 14 -2.476 19.496 7.444 1.00 0.00 C ATOM 217 CD LYS A 14 -3.812 20.173 7.105 1.00 0.00 C ATOM 218 CE LYS A 14 -3.674 21.215 5.992 1.00 0.00 C ATOM 219 NZ LYS A 14 -4.480 20.847 4.777 1.00 0.00 N ATOM 0 H LYS A 14 0.400 19.519 6.348 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.903 17.395 7.686 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.705 19.256 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.767 17.961 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.597 18.886 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.733 20.259 7.676 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.533 19.415 6.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.211 20.652 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.999 22.187 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.624 21.314 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.900 20.977 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.777 19.853 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.321 21.457 4.720 1.00 0.00 H new ATOM 233 N LYS A 15 -0.096 16.876 4.514 1.00 0.00 N ATOM 234 CA LYS A 15 0.105 15.818 3.526 1.00 0.00 C ATOM 235 C LYS A 15 1.137 14.845 4.051 1.00 0.00 C ATOM 236 O LYS A 15 0.908 13.651 4.053 1.00 0.00 O ATOM 237 CB LYS A 15 0.576 16.396 2.180 1.00 0.00 C ATOM 238 CG LYS A 15 -0.510 17.169 1.395 1.00 0.00 C ATOM 239 CD LYS A 15 -1.607 16.252 0.831 1.00 0.00 C ATOM 240 CE LYS A 15 -1.133 15.483 -0.397 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.981 14.279 -0.607 1.00 0.00 N ATOM 0 H LYS A 15 0.193 17.805 4.208 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.844 15.309 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.419 17.063 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.944 15.580 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.966 17.911 2.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.041 17.713 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.922 15.547 1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.480 16.850 0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.176 16.125 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.092 15.186 -0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.982 14.027 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.601 13.486 -0.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.954 14.482 -0.300 1.00 0.00 H new ATOM 255 N MET A 16 2.268 15.358 4.508 1.00 0.00 N ATOM 256 CA MET A 16 3.345 14.509 4.991 1.00 0.00 C ATOM 257 C MET A 16 2.877 13.564 6.078 1.00 0.00 C ATOM 258 O MET A 16 3.126 12.375 5.990 1.00 0.00 O ATOM 259 CB MET A 16 4.532 15.339 5.492 1.00 0.00 C ATOM 260 CG MET A 16 5.728 14.490 5.896 1.00 0.00 C ATOM 261 SD MET A 16 7.114 15.497 6.453 1.00 0.00 S ATOM 262 CE MET A 16 8.283 14.228 6.955 1.00 0.00 C ATOM 0 H MET A 16 2.464 16.358 4.555 1.00 0.00 H new ATOM 0 HA MET A 16 3.673 13.911 4.141 1.00 0.00 H new ATOM 0 HB2 MET A 16 4.836 16.035 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.214 15.937 6.346 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.434 13.806 6.692 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.041 13.879 5.050 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.194 14.698 7.324 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.843 13.620 7.745 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.522 13.595 6.100 1.00 0.00 H new ATOM 272 N MET A 17 2.193 14.070 7.094 1.00 0.00 N ATOM 273 CA MET A 17 1.747 13.199 8.177 1.00 0.00 C ATOM 274 C MET A 17 0.728 12.170 7.685 1.00 0.00 C ATOM 275 O MET A 17 0.866 10.982 7.950 1.00 0.00 O ATOM 276 CB MET A 17 1.144 14.024 9.319 1.00 0.00 C ATOM 277 CG MET A 17 0.809 13.190 10.549 1.00 0.00 C ATOM 278 SD MET A 17 2.294 12.482 11.295 1.00 0.00 S ATOM 279 CE MET A 17 1.580 11.131 12.266 1.00 0.00 C ATOM 0 H MET A 17 1.939 15.053 7.194 1.00 0.00 H new ATOM 0 HA MET A 17 2.621 12.663 8.546 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.845 14.810 9.601 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.239 14.517 8.964 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.294 13.811 11.282 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.123 12.390 10.271 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.375 10.598 12.787 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.878 11.538 12.994 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.056 10.443 11.602 1.00 0.00 H new ATOM 289 N LYS A 18 -0.288 12.625 6.962 1.00 0.00 N ATOM 290 CA LYS A 18 -1.352 11.730 6.493 1.00 0.00 C ATOM 291 C LYS A 18 -0.822 10.679 5.530 1.00 0.00 C ATOM 292 O LYS A 18 -1.082 9.486 5.679 1.00 0.00 O ATOM 293 CB LYS A 18 -2.449 12.558 5.801 1.00 0.00 C ATOM 294 CG LYS A 18 -3.692 11.752 5.369 1.00 0.00 C ATOM 295 CD LYS A 18 -3.739 11.470 3.851 1.00 0.00 C ATOM 296 CE LYS A 18 -4.016 12.734 3.015 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.073 12.410 1.551 1.00 0.00 N ATOM 0 H LYS A 18 -0.402 13.600 6.686 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.762 11.211 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.765 13.353 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.021 13.039 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.708 10.805 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.590 12.299 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.790 11.034 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.513 10.729 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.959 13.182 3.329 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.236 13.473 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.638 13.131 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.109 12.398 1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.512 11.476 1.419 1.00 0.00 H new ATOM 311 N ASP A 19 -0.093 11.126 4.526 1.00 0.00 N ATOM 312 CA ASP A 19 0.362 10.227 3.481 1.00 0.00 C ATOM 313 C ASP A 19 1.519 9.337 3.951 1.00 0.00 C ATOM 314 O ASP A 19 1.660 8.238 3.451 1.00 0.00 O ATOM 315 CB ASP A 19 0.713 11.019 2.217 1.00 0.00 C ATOM 316 CG ASP A 19 -0.506 11.730 1.613 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.510 11.060 1.299 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.474 12.971 1.456 1.00 0.00 O ATOM 0 H ASP A 19 0.195 12.098 4.411 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.455 9.549 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.479 11.757 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.140 10.344 1.476 1.00 0.00 H new ATOM 323 N LEU A 20 2.334 9.752 4.920 1.00 0.00 N ATOM 324 CA LEU A 20 3.373 8.831 5.421 1.00 0.00 C ATOM 325 C LEU A 20 2.797 7.789 6.347 1.00 0.00 C ATOM 326 O LEU A 20 3.302 6.675 6.398 1.00 0.00 O ATOM 327 CB LEU A 20 4.513 9.523 6.165 1.00 0.00 C ATOM 328 CG LEU A 20 5.638 10.079 5.291 1.00 0.00 C ATOM 329 CD1 LEU A 20 6.731 10.658 6.183 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.236 8.984 4.368 1.00 0.00 C ATOM 0 H LEU A 20 2.307 10.671 5.361 1.00 0.00 H new ATOM 0 HA LEU A 20 3.775 8.373 4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.095 10.342 6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.944 8.814 6.871 1.00 0.00 H new ATOM 0 HG LEU A 20 5.223 10.860 4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.534 11.055 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.315 11.459 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.126 9.875 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.033 9.415 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.640 8.176 4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.455 8.591 3.716 1.00 0.00 H new ATOM 342 N GLU A 21 1.741 8.124 7.071 1.00 0.00 N ATOM 343 CA GLU A 21 1.087 7.131 7.914 1.00 0.00 C ATOM 344 C GLU A 21 0.539 6.079 6.947 1.00 0.00 C ATOM 345 O GLU A 21 0.630 4.867 7.177 1.00 0.00 O ATOM 346 CB GLU A 21 -0.029 7.779 8.738 1.00 0.00 C ATOM 347 CG GLU A 21 -0.447 6.970 9.946 1.00 0.00 C ATOM 348 CD GLU A 21 -1.658 7.574 10.645 1.00 0.00 C ATOM 349 OE1 GLU A 21 -2.756 7.584 10.034 1.00 0.00 O ATOM 350 OE2 GLU A 21 -1.527 8.026 11.797 1.00 0.00 O ATOM 0 H GLU A 21 1.324 9.055 7.095 1.00 0.00 H new ATOM 0 HA GLU A 21 1.771 6.684 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.302 8.763 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.898 7.933 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.677 5.950 9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.385 6.910 10.648 1.00 0.00 H new ATOM 357 N GLY A 22 0.004 6.564 5.833 1.00 0.00 N ATOM 358 CA GLY A 22 -0.471 5.681 4.786 1.00 0.00 C ATOM 359 C GLY A 22 0.656 4.868 4.174 1.00 0.00 C ATOM 360 O GLY A 22 0.470 3.704 3.892 1.00 0.00 O ATOM 0 H GLY A 22 -0.109 7.558 5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.224 5.007 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.958 6.270 4.008 1.00 0.00 H new ATOM 364 N LEU A 23 1.827 5.462 3.976 1.00 0.00 N ATOM 365 CA LEU A 23 2.973 4.743 3.401 1.00 0.00 C ATOM 366 C LEU A 23 3.402 3.613 4.343 1.00 0.00 C ATOM 367 O LEU A 23 3.683 2.491 3.916 1.00 0.00 O ATOM 368 CB LEU A 23 4.140 5.710 3.153 1.00 0.00 C ATOM 369 CG LEU A 23 5.072 5.357 1.977 1.00 0.00 C ATOM 370 CD1 LEU A 23 5.993 6.531 1.697 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.926 4.112 2.228 1.00 0.00 C ATOM 0 H LEU A 23 2.014 6.439 4.203 1.00 0.00 H new ATOM 0 HA LEU A 23 2.678 4.311 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.731 6.705 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.739 5.765 4.062 1.00 0.00 H new ATOM 0 HG LEU A 23 4.429 5.140 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.654 6.285 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.398 7.407 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.590 6.745 2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.557 3.923 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.553 4.272 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.276 3.253 2.398 1.00 0.00 H new ATOM 383 N HIS A 24 3.435 3.897 5.634 1.00 0.00 N ATOM 384 CA HIS A 24 3.783 2.871 6.605 1.00 0.00 C ATOM 385 C HIS A 24 2.712 1.784 6.569 1.00 0.00 C ATOM 386 O HIS A 24 3.020 0.596 6.644 1.00 0.00 O ATOM 387 CB HIS A 24 3.922 3.461 8.006 1.00 0.00 C ATOM 388 CG HIS A 24 4.582 2.532 8.978 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.688 1.767 8.692 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.276 2.238 10.271 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.004 1.072 9.777 1.00 0.00 C ATOM 392 NE2 HIS A 24 5.180 1.323 10.775 1.00 0.00 N ATOM 0 H HIS A 24 3.229 4.814 6.031 1.00 0.00 H new ATOM 0 HA HIS A 24 4.750 2.439 6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.498 4.384 7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 24 2.933 3.725 8.381 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.181 1.739 7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.448 2.658 10.822 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.835 0.385 9.836 1.00 0.00 H new ATOM 400 N ARG A 25 1.451 2.174 6.409 1.00 0.00 N ATOM 401 CA ARG A 25 0.392 1.172 6.240 1.00 0.00 C ATOM 402 C ARG A 25 0.519 0.434 4.908 1.00 0.00 C ATOM 403 O ARG A 25 -0.001 -0.650 4.778 1.00 0.00 O ATOM 404 CB ARG A 25 -1.004 1.775 6.351 1.00 0.00 C ATOM 405 CG ARG A 25 -1.375 2.165 7.762 1.00 0.00 C ATOM 406 CD ARG A 25 -2.862 2.446 7.857 1.00 0.00 C ATOM 407 NE ARG A 25 -3.198 3.072 9.145 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.251 4.381 9.365 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.025 5.261 8.424 1.00 0.00 N ATOM 410 NH2 ARG A 25 -3.532 4.819 10.558 1.00 0.00 N ATOM 0 H ARG A 25 1.138 3.145 6.392 1.00 0.00 H new ATOM 0 HA ARG A 25 0.524 0.462 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.064 2.655 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.733 1.057 5.976 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.105 1.365 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.811 3.048 8.063 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.165 3.101 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.420 1.516 7.744 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.406 2.454 9.929 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.798 4.951 7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.076 6.258 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.709 4.159 11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.575 5.822 10.736 1.00 0.00 H new ATOM 424 N ALA A 26 1.212 0.993 3.929 1.00 0.00 N ATOM 425 CA ALA A 26 1.448 0.288 2.671 1.00 0.00 C ATOM 426 C ALA A 26 2.526 -0.786 2.892 1.00 0.00 C ATOM 427 O ALA A 26 2.465 -1.847 2.295 1.00 0.00 O ATOM 428 CB ALA A 26 1.857 1.261 1.556 1.00 0.00 C ATOM 0 H ALA A 26 1.620 1.927 3.976 1.00 0.00 H new ATOM 0 HA ALA A 26 0.523 -0.192 2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.026 0.706 0.633 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.063 1.991 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.774 1.777 1.842 1.00 0.00 H new ATOM 434 N GLU A 27 3.497 -0.534 3.763 1.00 0.00 N ATOM 435 CA GLU A 27 4.492 -1.577 4.103 1.00 0.00 C ATOM 436 C GLU A 27 3.752 -2.708 4.854 1.00 0.00 C ATOM 437 O GLU A 27 3.908 -3.960 4.606 1.00 0.00 O ATOM 438 CB GLU A 27 5.599 -0.998 4.992 1.00 0.00 C ATOM 439 CG GLU A 27 6.411 0.102 4.319 1.00 0.00 C ATOM 440 CD GLU A 27 7.464 0.688 5.246 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.669 0.542 4.946 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.091 1.289 6.283 1.00 0.00 O ATOM 0 H GLU A 27 3.626 0.357 4.243 1.00 0.00 H new ATOM 0 HA GLU A 27 4.958 -1.958 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.151 -0.601 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.271 -1.802 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.896 -0.299 3.429 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.741 0.895 3.987 1.00 0.00 H new ATOM 449 N GLN A 28 2.912 -2.242 5.766 1.00 0.00 N ATOM 450 CA GLN A 28 2.056 -3.117 6.527 1.00 0.00 C ATOM 451 C GLN A 28 1.213 -3.892 5.532 1.00 0.00 C ATOM 452 O GLN A 28 1.020 -5.052 5.720 1.00 0.00 O ATOM 453 CB GLN A 28 1.169 -2.323 7.489 1.00 0.00 C ATOM 454 CG GLN A 28 0.424 -3.182 8.490 1.00 0.00 C ATOM 455 CD GLN A 28 -0.673 -2.417 9.198 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.464 -1.318 9.701 1.00 0.00 O ATOM 457 NE2 GLN A 28 -1.845 -2.984 9.232 1.00 0.00 N ATOM 0 H GLN A 28 2.810 -1.253 5.993 1.00 0.00 H new ATOM 0 HA GLN A 28 2.652 -3.794 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.787 -1.606 8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.446 -1.748 6.910 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.008 -4.042 7.978 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.127 -3.570 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.981 -3.899 8.803 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.626 -2.513 9.688 1.00 0.00 H new ATOM 466 N SER A 29 0.734 -3.264 4.465 1.00 0.00 N ATOM 467 CA SER A 29 -0.069 -3.973 3.470 1.00 0.00 C ATOM 468 C SER A 29 0.732 -5.047 2.744 1.00 0.00 C ATOM 469 O SER A 29 0.185 -6.080 2.475 1.00 0.00 O ATOM 470 CB SER A 29 -0.725 -3.023 2.460 1.00 0.00 C ATOM 471 OG SER A 29 0.161 -2.656 1.421 1.00 0.00 O ATOM 0 H SER A 29 0.884 -2.275 4.265 1.00 0.00 H new ATOM 0 HA SER A 29 -0.865 -4.465 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.606 -3.502 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.068 -2.127 2.976 1.00 0.00 H new ATOM 0 HG SER A 29 1.067 -2.559 1.782 1.00 0.00 H new ATOM 477 N LEU A 30 2.020 -4.839 2.458 1.00 0.00 N ATOM 478 CA LEU A 30 2.851 -5.907 1.855 1.00 0.00 C ATOM 479 C LEU A 30 2.678 -7.085 2.814 1.00 0.00 C ATOM 480 O LEU A 30 2.260 -8.221 2.452 1.00 0.00 O ATOM 481 CB LEU A 30 4.362 -5.538 1.817 1.00 0.00 C ATOM 482 CG LEU A 30 4.832 -4.133 1.417 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.317 -3.987 1.789 1.00 0.00 C ATOM 484 CD2 LEU A 30 4.640 -3.786 -0.034 1.00 0.00 C ATOM 0 H LEU A 30 2.511 -3.961 2.627 1.00 0.00 H new ATOM 0 HA LEU A 30 2.548 -6.098 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.762 -5.735 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.843 -6.240 1.135 1.00 0.00 H new ATOM 0 HG LEU A 30 4.201 -3.433 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.666 -2.993 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.438 -4.127 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.901 -4.738 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.002 -2.774 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.198 -4.489 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.581 -3.843 -0.285 1.00 0.00 H new ATOM 496 N HIS A 31 3.002 -6.808 4.072 1.00 0.00 N ATOM 497 CA HIS A 31 3.029 -7.902 5.038 1.00 0.00 C ATOM 498 C HIS A 31 1.668 -8.479 5.412 1.00 0.00 C ATOM 499 O HIS A 31 1.557 -9.677 5.623 1.00 0.00 O ATOM 500 CB HIS A 31 3.854 -7.491 6.234 1.00 0.00 C ATOM 501 CG HIS A 31 5.259 -7.138 5.855 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.950 -7.758 4.800 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.124 -6.209 6.337 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.154 -7.208 4.704 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.277 -6.278 5.617 1.00 0.00 N ATOM 0 H HIS A 31 3.239 -5.885 4.436 1.00 0.00 H new ATOM 0 HA HIS A 31 3.508 -8.747 4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.385 -6.636 6.721 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.868 -8.303 6.960 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.587 -8.505 4.208 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.930 -5.530 7.154 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.912 -7.484 3.986 1.00 0.00 H new ATOM 513 N ASP A 32 0.645 -7.655 5.463 1.00 0.00 N ATOM 514 CA ASP A 32 -0.701 -8.118 5.749 1.00 0.00 C ATOM 515 C ASP A 32 -1.180 -8.929 4.567 1.00 0.00 C ATOM 516 O ASP A 32 -1.846 -9.916 4.755 1.00 0.00 O ATOM 517 CB ASP A 32 -1.671 -6.953 5.985 1.00 0.00 C ATOM 518 CG ASP A 32 -1.487 -6.290 7.347 1.00 0.00 C ATOM 519 OD1 ASP A 32 -0.588 -6.690 8.118 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.267 -5.358 7.651 1.00 0.00 O ATOM 0 H ASP A 32 0.718 -6.649 5.309 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.677 -8.716 6.660 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.532 -6.207 5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.695 -7.317 5.900 1.00 0.00 H new ATOM 525 N LEU A 33 -0.836 -8.531 3.348 1.00 0.00 N ATOM 526 CA LEU A 33 -1.254 -9.289 2.167 1.00 0.00 C ATOM 527 C LEU A 33 -0.656 -10.678 2.256 1.00 0.00 C ATOM 528 O LEU A 33 -1.391 -11.668 2.148 1.00 0.00 O ATOM 529 CB LEU A 33 -0.809 -8.621 0.856 1.00 0.00 C ATOM 530 CG LEU A 33 -1.738 -7.614 0.138 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.660 -6.788 1.061 1.00 0.00 C ATOM 532 CD2 LEU A 33 -0.857 -6.657 -0.686 1.00 0.00 C ATOM 0 H LEU A 33 -0.277 -7.701 3.149 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.343 -9.329 2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.130 -8.106 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.588 -9.418 0.147 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.413 -8.207 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.269 -6.114 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.310 -7.460 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.053 -6.206 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.489 -5.935 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.173 -6.129 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.285 -7.228 -1.417 1.00 0.00 H new ATOM 544 N GLN A 34 0.654 -10.798 2.474 1.00 0.00 N ATOM 545 CA GLN A 34 1.185 -12.174 2.578 1.00 0.00 C ATOM 546 C GLN A 34 0.630 -12.922 3.807 1.00 0.00 C ATOM 547 O GLN A 34 0.396 -14.133 3.740 1.00 0.00 O ATOM 548 CB GLN A 34 2.720 -12.278 2.541 1.00 0.00 C ATOM 549 CG GLN A 34 3.504 -11.175 3.250 1.00 0.00 C ATOM 550 CD GLN A 34 4.272 -10.228 2.319 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.190 -9.516 2.777 1.00 0.00 O ATOM 552 NE2 GLN A 34 3.917 -10.194 1.048 1.00 0.00 N ATOM 0 H GLN A 34 1.325 -10.037 2.576 1.00 0.00 H new ATOM 0 HA GLN A 34 0.826 -12.662 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.006 -13.234 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.034 -12.300 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.812 -10.587 3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.212 -11.637 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.161 -10.792 0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.398 -9.570 0.401 1.00 0.00 H new ATOM 561 N GLU A 35 0.404 -12.231 4.919 1.00 0.00 N ATOM 562 CA GLU A 35 -0.147 -12.889 6.113 1.00 0.00 C ATOM 563 C GLU A 35 -1.578 -13.376 5.852 1.00 0.00 C ATOM 564 O GLU A 35 -1.958 -14.463 6.272 1.00 0.00 O ATOM 565 CB GLU A 35 -0.102 -11.941 7.320 1.00 0.00 C ATOM 566 CG GLU A 35 -0.003 -12.646 8.681 1.00 0.00 C ATOM 567 CD GLU A 35 -1.341 -12.864 9.388 1.00 0.00 C ATOM 568 OE1 GLU A 35 -2.417 -12.603 8.810 1.00 0.00 O ATOM 569 OE2 GLU A 35 -1.301 -13.321 10.556 1.00 0.00 O ATOM 0 H GLU A 35 0.588 -11.233 5.025 1.00 0.00 H new ATOM 0 HA GLU A 35 0.469 -13.759 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.751 -11.272 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.997 -11.320 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.479 -13.613 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.645 -12.059 9.332 1.00 0.00 H new ATOM 576 N ARG A 36 -2.365 -12.588 5.132 1.00 0.00 N ATOM 577 CA ARG A 36 -3.734 -12.978 4.790 1.00 0.00 C ATOM 578 C ARG A 36 -3.716 -14.169 3.857 1.00 0.00 C ATOM 579 O ARG A 36 -4.545 -15.059 3.993 1.00 0.00 O ATOM 580 CB ARG A 36 -4.482 -11.828 4.118 1.00 0.00 C ATOM 581 CG ARG A 36 -4.771 -10.647 5.031 1.00 0.00 C ATOM 582 CD ARG A 36 -6.225 -10.574 5.424 1.00 0.00 C ATOM 583 NE ARG A 36 -6.531 -9.248 5.981 1.00 0.00 N ATOM 584 CZ ARG A 36 -7.725 -8.844 6.395 1.00 0.00 C ATOM 585 NH1 ARG A 36 -8.778 -9.625 6.362 1.00 0.00 N ATOM 586 NH2 ARG A 36 -7.860 -7.630 6.846 1.00 0.00 N ATOM 0 H ARG A 36 -2.084 -11.676 4.772 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.248 -13.239 5.715 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.897 -11.479 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.425 -12.206 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.157 -10.725 5.928 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.485 -9.723 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.855 -10.767 4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.451 -11.347 6.159 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.761 -8.583 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.695 -10.578 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.680 -9.279 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.055 -7.005 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.771 -7.304 7.168 1.00 0.00 H new ATOM 600 N LEU A 37 -2.775 -14.212 2.922 1.00 0.00 N ATOM 601 CA LEU A 37 -2.646 -15.386 2.050 1.00 0.00 C ATOM 602 C LEU A 37 -2.264 -16.583 2.909 1.00 0.00 C ATOM 603 O LEU A 37 -2.790 -17.710 2.743 1.00 0.00 O ATOM 604 CB LEU A 37 -1.558 -15.186 0.996 1.00 0.00 C ATOM 605 CG LEU A 37 -1.820 -14.192 -0.136 1.00 0.00 C ATOM 606 CD1 LEU A 37 -0.583 -14.162 -1.013 1.00 0.00 C ATOM 607 CD2 LEU A 37 -3.043 -14.594 -0.950 1.00 0.00 C ATOM 0 H LEU A 37 -2.100 -13.468 2.745 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.597 -15.543 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.650 -14.872 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.349 -16.156 0.545 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.023 -13.203 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.736 -13.461 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.276 -13.846 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.399 -15.158 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.204 -13.868 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.883 -15.581 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.919 -14.621 -0.302 1.00 0.00 H new ATOM 619 N HIS A 38 -1.358 -16.340 3.848 1.00 0.00 N ATOM 620 CA HIS A 38 -0.935 -17.392 4.749 1.00 0.00 C ATOM 621 C HIS A 38 -2.144 -17.935 5.489 1.00 0.00 C ATOM 622 O HIS A 38 -2.249 -19.124 5.639 1.00 0.00 O ATOM 623 CB HIS A 38 0.127 -16.917 5.738 1.00 0.00 C ATOM 624 CG HIS A 38 0.922 -18.037 6.328 1.00 0.00 C ATOM 625 ND1 HIS A 38 2.025 -18.591 5.731 1.00 0.00 N ATOM 626 CD2 HIS A 38 0.753 -18.741 7.484 1.00 0.00 C ATOM 627 CE1 HIS A 38 2.477 -19.565 6.511 1.00 0.00 C ATOM 628 NE2 HIS A 38 1.743 -19.702 7.595 1.00 0.00 N ATOM 0 H HIS A 38 -0.911 -15.436 4.001 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.478 -18.182 4.153 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.803 -16.227 5.233 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.356 -16.360 6.541 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.034 -18.574 8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.342 -20.171 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.875 -20.372 8.353 1.00 0.00 H new ATOM 636 N LYS A 39 -3.070 -17.086 5.924 1.00 0.00 N ATOM 637 CA LYS A 39 -4.295 -17.564 6.591 1.00 0.00 C ATOM 638 C LYS A 39 -5.279 -18.217 5.622 1.00 0.00 C ATOM 639 O LYS A 39 -5.998 -19.151 5.990 1.00 0.00 O ATOM 640 CB LYS A 39 -4.988 -16.427 7.334 1.00 0.00 C ATOM 641 CG LYS A 39 -4.117 -15.842 8.420 1.00 0.00 C ATOM 642 CD LYS A 39 -4.881 -15.661 9.719 1.00 0.00 C ATOM 643 CE LYS A 39 -3.997 -14.992 10.756 1.00 0.00 C ATOM 644 NZ LYS A 39 -2.733 -15.778 10.991 1.00 0.00 N ATOM 0 H LYS A 39 -3.005 -16.072 5.832 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.977 -18.326 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.258 -15.644 6.626 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.916 -16.794 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.261 -16.494 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.724 -14.879 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.771 -15.057 9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.220 -16.629 10.089 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.744 -13.984 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.545 -14.892 11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.562 -15.863 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.832 -16.727 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.931 -15.288 10.545 1.00 0.00 H new ATOM 658 N ALA A 40 -5.303 -17.750 4.381 1.00 0.00 N ATOM 659 CA ALA A 40 -6.136 -18.360 3.345 1.00 0.00 C ATOM 660 C ALA A 40 -5.624 -19.787 3.148 1.00 0.00 C ATOM 661 O ALA A 40 -6.385 -20.704 2.837 1.00 0.00 O ATOM 662 CB ALA A 40 -6.065 -17.557 2.034 1.00 0.00 C ATOM 0 H ALA A 40 -4.756 -16.950 4.064 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.184 -18.366 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.694 -18.033 1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.417 -16.540 2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.034 -17.528 1.680 1.00 0.00 H new ATOM 668 N GLN A 41 -4.335 -19.999 3.364 1.00 0.00 N ATOM 669 CA GLN A 41 -3.840 -21.369 3.387 1.00 0.00 C ATOM 670 C GLN A 41 -4.153 -22.020 4.759 1.00 0.00 C ATOM 671 O GLN A 41 -4.905 -22.994 4.831 1.00 0.00 O ATOM 672 CB GLN A 41 -2.329 -21.382 3.118 1.00 0.00 C ATOM 673 CG GLN A 41 -1.698 -22.763 3.189 1.00 0.00 C ATOM 674 CD GLN A 41 -0.197 -22.716 2.990 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.298 -22.182 2.013 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.532 -23.280 3.916 1.00 0.00 N ATOM 0 H GLN A 41 -3.636 -19.273 3.520 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.338 -21.945 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.143 -20.960 2.131 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.836 -20.732 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.921 -23.213 4.156 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.144 -23.404 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.084 -23.718 4.721 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.549 -23.282 3.834 1.00 0.00 H new ATOM 685 N GLU A 42 -3.577 -21.460 5.817 1.00 0.00 N ATOM 686 CA GLU A 42 -3.591 -21.994 7.192 1.00 0.00 C ATOM 687 C GLU A 42 -4.945 -22.439 7.711 1.00 0.00 C ATOM 688 O GLU A 42 -5.055 -23.511 8.307 1.00 0.00 O ATOM 689 CB GLU A 42 -3.017 -20.916 8.129 1.00 0.00 C ATOM 690 CG GLU A 42 -2.727 -21.347 9.554 1.00 0.00 C ATOM 691 CD GLU A 42 -2.066 -20.221 10.365 1.00 0.00 C ATOM 692 OE1 GLU A 42 -2.339 -19.018 10.094 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.263 -20.541 11.270 1.00 0.00 O ATOM 0 H GLU A 42 -3.062 -20.582 5.746 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.988 -22.902 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.093 -20.539 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.718 -20.082 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.655 -21.648 10.039 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.074 -22.220 9.545 1.00 0.00 H new ATOM 700 N GLU A 43 -5.971 -21.641 7.484 1.00 0.00 N ATOM 701 CA GLU A 43 -7.314 -22.019 7.896 1.00 0.00 C ATOM 702 C GLU A 43 -8.108 -22.663 6.760 1.00 0.00 C ATOM 703 O GLU A 43 -8.781 -23.672 6.953 1.00 0.00 O ATOM 704 CB GLU A 43 -8.070 -20.778 8.386 1.00 0.00 C ATOM 705 CG GLU A 43 -7.474 -20.133 9.638 1.00 0.00 C ATOM 706 CD GLU A 43 -7.504 -21.064 10.846 1.00 0.00 C ATOM 707 OE1 GLU A 43 -8.589 -21.603 11.159 1.00 0.00 O ATOM 708 OE2 GLU A 43 -6.449 -21.250 11.486 1.00 0.00 O ATOM 0 H GLU A 43 -5.904 -20.735 7.021 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.213 -22.752 8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.090 -20.039 7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.104 -21.054 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.444 -19.839 9.436 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.026 -19.222 9.871 1.00 0.00 H new ATOM 715 N HIS A 44 -8.066 -22.050 5.582 1.00 0.00 N ATOM 716 CA HIS A 44 -9.007 -22.425 4.512 1.00 0.00 C ATOM 717 C HIS A 44 -8.535 -23.399 3.441 1.00 0.00 C ATOM 718 O HIS A 44 -9.347 -24.134 2.899 1.00 0.00 O ATOM 719 CB HIS A 44 -9.532 -21.159 3.822 1.00 0.00 C ATOM 720 CG HIS A 44 -10.356 -20.286 4.716 1.00 0.00 C ATOM 721 ND1 HIS A 44 -9.844 -19.334 5.564 1.00 0.00 N ATOM 722 CD2 HIS A 44 -11.705 -20.225 4.892 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.857 -18.762 6.207 1.00 0.00 C ATOM 724 NE2 HIS A 44 -12.016 -19.267 5.837 1.00 0.00 N ATOM 0 H HIS A 44 -7.410 -21.308 5.339 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.774 -22.981 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.686 -20.584 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.131 -21.448 2.958 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.426 -20.836 4.369 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.744 -17.979 6.942 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.942 -19.007 6.175 1.00 0.00 H new ATOM 732 N ARG A 45 -7.243 -23.388 3.131 1.00 0.00 N ATOM 733 CA ARG A 45 -6.663 -24.191 2.030 1.00 0.00 C ATOM 734 C ARG A 45 -7.239 -23.766 0.678 1.00 0.00 C ATOM 735 O ARG A 45 -7.867 -24.569 -0.008 1.00 0.00 O ATOM 736 CB ARG A 45 -6.877 -25.716 2.202 1.00 0.00 C ATOM 737 CG ARG A 45 -6.391 -26.315 3.504 1.00 0.00 C ATOM 738 CD ARG A 45 -4.872 -26.273 3.630 1.00 0.00 C ATOM 739 NE ARG A 45 -4.427 -27.023 4.819 1.00 0.00 N ATOM 740 CZ ARG A 45 -4.488 -26.573 6.068 1.00 0.00 C ATOM 741 NH1 ARG A 45 -4.956 -25.399 6.353 1.00 0.00 N ATOM 742 NH2 ARG A 45 -4.076 -27.325 7.049 1.00 0.00 N ATOM 0 H ARG A 45 -6.556 -22.824 3.631 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.591 -23.997 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.942 -25.926 2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.375 -26.227 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.837 -25.775 4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.731 -27.348 3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.416 -26.696 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.536 -25.238 3.700 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.044 -27.957 4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.292 -24.789 5.608 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.989 -25.085 7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.708 -28.257 6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.122 -26.982 8.009 1.00 0.00 H new ATOM 756 N THR A 46 -7.010 -22.513 0.299 1.00 0.00 N ATOM 757 CA THR A 46 -7.374 -22.022 -1.035 1.00 0.00 C ATOM 758 C THR A 46 -6.959 -23.014 -2.132 1.00 0.00 C ATOM 759 O THR A 46 -5.885 -23.628 -2.064 1.00 0.00 O ATOM 760 CB THR A 46 -6.730 -20.642 -1.314 1.00 0.00 C ATOM 761 OG1 THR A 46 -6.749 -20.378 -2.718 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.283 -20.567 -0.833 1.00 0.00 C ATOM 0 H THR A 46 -6.572 -21.812 0.897 1.00 0.00 H new ATOM 0 HA THR A 46 -8.459 -21.919 -1.052 1.00 0.00 H new ATOM 0 HB THR A 46 -7.313 -19.902 -0.766 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.223 -19.537 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.877 -19.579 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.247 -20.744 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.690 -21.325 -1.345 1.00 0.00 H new ATOM 770 N VAL A 47 -7.812 -23.179 -3.138 1.00 0.00 N ATOM 771 CA VAL A 47 -7.587 -24.172 -4.200 1.00 0.00 C ATOM 772 C VAL A 47 -6.346 -23.901 -5.044 1.00 0.00 C ATOM 773 O VAL A 47 -5.886 -24.771 -5.781 1.00 0.00 O ATOM 774 CB VAL A 47 -8.810 -24.273 -5.169 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.056 -24.738 -4.417 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.088 -22.920 -5.866 1.00 0.00 C ATOM 0 H VAL A 47 -8.671 -22.639 -3.246 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.443 -25.110 -3.663 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.563 -25.008 -5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.896 -24.802 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.872 -25.719 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.291 -24.026 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.944 -23.023 -6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.303 -22.161 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.213 -22.621 -6.443 1.00 0.00 H new ATOM 786 N GLU A 48 -5.788 -22.705 -4.937 1.00 0.00 N ATOM 787 CA GLU A 48 -4.592 -22.361 -5.695 1.00 0.00 C ATOM 788 C GLU A 48 -3.381 -22.144 -4.798 1.00 0.00 C ATOM 789 O GLU A 48 -2.430 -21.485 -5.192 1.00 0.00 O ATOM 790 CB GLU A 48 -4.846 -21.145 -6.589 1.00 0.00 C ATOM 791 CG GLU A 48 -5.301 -19.879 -5.889 1.00 0.00 C ATOM 792 CD GLU A 48 -5.283 -18.691 -6.844 1.00 0.00 C ATOM 793 OE1 GLU A 48 -5.557 -17.554 -6.402 1.00 0.00 O ATOM 794 OE2 GLU A 48 -4.980 -18.901 -8.049 1.00 0.00 O ATOM 0 H GLU A 48 -6.140 -21.959 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.359 -23.213 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.928 -20.924 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.599 -21.416 -7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.308 -20.019 -5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.651 -19.676 -5.038 1.00 0.00 H new ATOM 801 N VAL A 49 -3.413 -22.719 -3.602 1.00 0.00 N ATOM 802 CA VAL A 49 -2.325 -22.595 -2.615 1.00 0.00 C ATOM 803 C VAL A 49 -0.898 -22.750 -3.189 1.00 0.00 C ATOM 804 O VAL A 49 0.020 -22.023 -2.798 1.00 0.00 O ATOM 805 CB VAL A 49 -2.558 -23.616 -1.433 1.00 0.00 C ATOM 806 CG1 VAL A 49 -2.750 -25.066 -1.947 1.00 0.00 C ATOM 807 CG2 VAL A 49 -1.420 -23.572 -0.427 1.00 0.00 C ATOM 0 H VAL A 49 -4.195 -23.289 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.371 -21.568 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.477 -23.307 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.907 -25.734 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.617 -25.106 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.861 -25.378 -2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.613 -24.287 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.485 -23.828 -0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.345 -22.569 -0.007 1.00 0.00 H new ATOM 817 N GLU A 50 -0.711 -23.674 -4.122 1.00 0.00 N ATOM 818 CA GLU A 50 0.606 -23.927 -4.720 1.00 0.00 C ATOM 819 C GLU A 50 1.119 -22.757 -5.565 1.00 0.00 C ATOM 820 O GLU A 50 2.316 -22.635 -5.812 1.00 0.00 O ATOM 821 CB GLU A 50 0.526 -25.155 -5.631 1.00 0.00 C ATOM 822 CG GLU A 50 0.068 -26.428 -4.931 1.00 0.00 C ATOM 823 CD GLU A 50 0.133 -27.636 -5.855 1.00 0.00 C ATOM 824 OE1 GLU A 50 0.639 -28.695 -5.424 1.00 0.00 O ATOM 825 OE2 GLU A 50 -0.315 -27.521 -7.018 1.00 0.00 O ATOM 0 H GLU A 50 -1.456 -24.267 -4.487 1.00 0.00 H new ATOM 0 HA GLU A 50 1.296 -24.078 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.158 -24.940 -6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.507 -25.330 -6.072 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.692 -26.606 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.953 -26.299 -4.573 1.00 0.00 H new ATOM 832 N LYS A 51 0.203 -21.913 -6.020 1.00 0.00 N ATOM 833 CA LYS A 51 0.524 -20.798 -6.917 1.00 0.00 C ATOM 834 C LYS A 51 0.288 -19.436 -6.280 1.00 0.00 C ATOM 835 O LYS A 51 0.847 -18.443 -6.728 1.00 0.00 O ATOM 836 CB LYS A 51 -0.381 -20.870 -8.149 1.00 0.00 C ATOM 837 CG LYS A 51 -0.320 -22.196 -8.933 1.00 0.00 C ATOM 838 CD LYS A 51 -1.440 -22.271 -9.985 1.00 0.00 C ATOM 839 CE LYS A 51 -2.810 -22.477 -9.320 1.00 0.00 C ATOM 840 NZ LYS A 51 -3.967 -22.400 -10.272 1.00 0.00 N ATOM 0 H LYS A 51 -0.786 -21.977 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 51 1.581 -20.894 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.411 -20.700 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.115 -20.056 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.649 -22.288 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.409 -23.035 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.452 -21.354 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.240 -23.090 -10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.821 -23.450 -8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.942 -21.725 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.855 -22.548 -9.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.983 -21.464 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.866 -23.135 -11.001 1.00 0.00 H new ATOM 854 N VAL A 52 -0.559 -19.401 -5.260 1.00 0.00 N ATOM 855 CA VAL A 52 -0.987 -18.151 -4.623 1.00 0.00 C ATOM 856 C VAL A 52 0.136 -17.423 -3.889 1.00 0.00 C ATOM 857 O VAL A 52 0.017 -16.255 -3.563 1.00 0.00 O ATOM 858 CB VAL A 52 -2.189 -18.423 -3.659 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.725 -18.808 -2.246 1.00 0.00 C ATOM 860 CG2 VAL A 52 -3.112 -17.235 -3.616 1.00 0.00 C ATOM 0 H VAL A 52 -0.972 -20.237 -4.846 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.301 -17.485 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.737 -19.277 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.595 -18.987 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.120 -19.713 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.131 -17.997 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.942 -17.443 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.565 -16.362 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.499 -17.038 -4.616 1.00 0.00 H new ATOM 870 N HIS A 53 1.234 -18.117 -3.644 1.00 0.00 N ATOM 871 CA HIS A 53 2.394 -17.510 -3.008 1.00 0.00 C ATOM 872 C HIS A 53 3.487 -17.391 -4.078 1.00 0.00 C ATOM 873 O HIS A 53 3.270 -16.803 -5.147 1.00 0.00 O ATOM 874 CB HIS A 53 2.861 -18.357 -1.810 1.00 0.00 C ATOM 875 CG HIS A 53 1.882 -18.399 -0.677 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.124 -19.496 -0.343 1.00 0.00 N ATOM 877 CD2 HIS A 53 1.551 -17.449 0.243 1.00 0.00 C ATOM 878 CE1 HIS A 53 0.395 -19.186 0.726 1.00 0.00 C ATOM 879 NE2 HIS A 53 0.621 -17.953 1.129 1.00 0.00 N ATOM 0 H HIS A 53 1.348 -19.104 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 53 2.151 -16.524 -2.613 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.052 -19.375 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.808 -17.960 -1.444 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.957 -16.449 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.297 -19.863 1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.199 -17.474 1.925 1.00 0.00 H new ATOM 887 N LEU A 54 4.650 -17.964 -3.783 1.00 0.00 N ATOM 888 CA LEU A 54 5.815 -17.962 -4.671 1.00 0.00 C ATOM 889 C LEU A 54 6.318 -16.550 -4.957 1.00 0.00 C ATOM 890 O LEU A 54 5.656 -15.535 -4.679 1.00 0.00 O ATOM 891 CB LEU A 54 5.510 -18.669 -6.012 1.00 0.00 C ATOM 892 CG LEU A 54 4.855 -20.059 -5.970 1.00 0.00 C ATOM 893 CD1 LEU A 54 4.516 -20.477 -7.401 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.769 -21.102 -5.325 1.00 0.00 C ATOM 0 H LEU A 54 4.815 -18.453 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 54 6.595 -18.511 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.862 -18.013 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.447 -18.759 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 54 3.953 -20.002 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.050 -21.462 -7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.827 -19.754 -7.838 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.429 -20.513 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.267 -22.070 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.694 -21.178 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.998 -20.802 -4.302 1.00 0.00 H new ATOM 906 N GLU A 55 7.499 -16.488 -5.550 1.00 0.00 N ATOM 907 CA GLU A 55 8.067 -15.210 -5.933 1.00 0.00 C ATOM 908 C GLU A 55 7.089 -14.479 -6.815 1.00 0.00 C ATOM 909 O GLU A 55 6.989 -13.283 -6.746 1.00 0.00 O ATOM 910 CB GLU A 55 9.329 -15.375 -6.763 1.00 0.00 C ATOM 911 CG GLU A 55 10.533 -15.919 -6.050 1.00 0.00 C ATOM 912 CD GLU A 55 11.757 -15.870 -6.957 1.00 0.00 C ATOM 913 OE1 GLU A 55 12.749 -16.558 -6.663 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.711 -15.135 -7.982 1.00 0.00 O ATOM 0 H GLU A 55 8.076 -17.299 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 55 8.291 -14.674 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.102 -16.034 -7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.591 -14.404 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.720 -15.340 -5.145 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.345 -16.946 -5.738 1.00 0.00 H new ATOM 921 N LYS A 56 6.373 -15.206 -7.659 1.00 0.00 N ATOM 922 CA LYS A 56 5.470 -14.564 -8.602 1.00 0.00 C ATOM 923 C LYS A 56 4.374 -13.756 -7.919 1.00 0.00 C ATOM 924 O LYS A 56 4.286 -12.550 -8.145 1.00 0.00 O ATOM 925 CB LYS A 56 4.830 -15.608 -9.519 1.00 0.00 C ATOM 926 CG LYS A 56 5.825 -16.293 -10.445 1.00 0.00 C ATOM 927 CD LYS A 56 5.101 -17.180 -11.448 1.00 0.00 C ATOM 928 CE LYS A 56 6.088 -17.874 -12.382 1.00 0.00 C ATOM 929 NZ LYS A 56 5.367 -18.689 -13.422 1.00 0.00 N ATOM 0 H LYS A 56 6.398 -16.224 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 56 6.076 -13.869 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.335 -16.363 -8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.057 -15.128 -10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.414 -15.543 -10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.523 -16.892 -9.859 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.511 -17.927 -10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.404 -16.579 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.717 -17.129 -12.870 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.749 -18.519 -11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.061 -19.150 -14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.786 -19.414 -12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.755 -18.067 -13.988 1.00 0.00 H new ATOM 943 N LYS A 57 3.550 -14.381 -7.086 1.00 0.00 N ATOM 944 CA LYS A 57 2.435 -13.640 -6.513 1.00 0.00 C ATOM 945 C LYS A 57 2.901 -12.752 -5.389 1.00 0.00 C ATOM 946 O LYS A 57 2.387 -11.653 -5.239 1.00 0.00 O ATOM 947 CB LYS A 57 1.314 -14.573 -6.052 1.00 0.00 C ATOM 948 CG LYS A 57 -0.084 -13.962 -6.194 1.00 0.00 C ATOM 949 CD LYS A 57 -0.568 -13.273 -4.920 1.00 0.00 C ATOM 950 CE LYS A 57 -1.386 -12.041 -5.263 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.137 -11.511 -4.076 1.00 0.00 N ATOM 0 H LYS A 57 3.626 -15.358 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 57 2.024 -13.005 -7.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.359 -15.496 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.481 -14.841 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.077 -13.240 -7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.791 -14.746 -6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.170 -13.965 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.286 -12.991 -4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.726 -11.265 -5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.091 -12.285 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.353 -10.504 -4.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.023 -12.042 -3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.555 -11.618 -3.221 1.00 0.00 H new ATOM 965 N LEU A 58 3.882 -13.191 -4.605 1.00 0.00 N ATOM 966 CA LEU A 58 4.347 -12.327 -3.519 1.00 0.00 C ATOM 967 C LEU A 58 4.949 -11.044 -4.106 1.00 0.00 C ATOM 968 O LEU A 58 4.651 -9.938 -3.653 1.00 0.00 O ATOM 969 CB LEU A 58 5.361 -13.050 -2.625 1.00 0.00 C ATOM 970 CG LEU A 58 4.810 -14.272 -1.860 1.00 0.00 C ATOM 971 CD1 LEU A 58 5.966 -15.019 -1.190 1.00 0.00 C ATOM 972 CD2 LEU A 58 3.786 -13.874 -0.811 1.00 0.00 C ATOM 0 H LEU A 58 4.352 -14.092 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 58 3.495 -12.066 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.198 -13.375 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.757 -12.337 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 58 4.310 -14.918 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.577 -15.882 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.671 -15.355 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.474 -14.353 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.426 -14.765 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.248 -13.201 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.949 -13.369 -1.293 1.00 0.00 H new ATOM 984 N ARG A 59 5.785 -11.177 -5.129 1.00 0.00 N ATOM 985 CA ARG A 59 6.389 -9.996 -5.748 1.00 0.00 C ATOM 986 C ARG A 59 5.326 -9.151 -6.415 1.00 0.00 C ATOM 987 O ARG A 59 5.421 -7.939 -6.367 1.00 0.00 O ATOM 988 CB ARG A 59 7.462 -10.390 -6.762 1.00 0.00 C ATOM 989 CG ARG A 59 8.241 -9.236 -7.371 1.00 0.00 C ATOM 990 CD ARG A 59 9.480 -9.765 -8.097 1.00 0.00 C ATOM 991 NE ARG A 59 9.131 -10.783 -9.109 1.00 0.00 N ATOM 992 CZ ARG A 59 9.699 -11.983 -9.227 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.670 -12.387 -8.444 1.00 0.00 N ATOM 994 NH2 ARG A 59 9.277 -12.796 -10.154 1.00 0.00 N ATOM 0 H ARG A 59 6.058 -12.069 -5.543 1.00 0.00 H new ATOM 0 HA ARG A 59 6.866 -9.412 -4.961 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.167 -11.065 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.988 -10.951 -7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.608 -8.687 -8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.538 -8.535 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.000 -8.937 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.170 -10.196 -7.371 1.00 0.00 H new ATOM 0 HE ARG A 59 8.393 -10.548 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.020 -11.774 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.075 -13.314 -8.571 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.522 -12.511 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.702 -13.718 -10.256 1.00 0.00 H new ATOM 1008 N ASP A 60 4.330 -9.765 -7.039 1.00 0.00 N ATOM 1009 CA ASP A 60 3.289 -8.978 -7.707 1.00 0.00 C ATOM 1010 C ASP A 60 2.465 -8.151 -6.713 1.00 0.00 C ATOM 1011 O ASP A 60 2.239 -6.964 -6.928 1.00 0.00 O ATOM 1012 CB ASP A 60 2.358 -9.878 -8.521 1.00 0.00 C ATOM 1013 CG ASP A 60 1.569 -9.101 -9.560 1.00 0.00 C ATOM 1014 OD1 ASP A 60 0.324 -9.190 -9.574 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.209 -8.404 -10.378 1.00 0.00 O ATOM 0 H ASP A 60 4.216 -10.777 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 60 3.801 -8.289 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.945 -10.651 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.667 -10.386 -7.848 1.00 0.00 H new ATOM 1020 N GLU A 61 2.026 -8.757 -5.617 1.00 0.00 N ATOM 1021 CA GLU A 61 1.203 -8.030 -4.644 1.00 0.00 C ATOM 1022 C GLU A 61 2.021 -6.934 -3.945 1.00 0.00 C ATOM 1023 O GLU A 61 1.555 -5.790 -3.790 1.00 0.00 O ATOM 1024 CB GLU A 61 0.550 -8.999 -3.638 1.00 0.00 C ATOM 1025 CG GLU A 61 1.493 -9.587 -2.586 1.00 0.00 C ATOM 1026 CD GLU A 61 0.868 -10.680 -1.755 1.00 0.00 C ATOM 1027 OE1 GLU A 61 1.535 -11.130 -0.781 1.00 0.00 O ATOM 1028 OE2 GLU A 61 -0.274 -11.105 -2.067 1.00 0.00 O ATOM 0 H GLU A 61 2.218 -9.730 -5.377 1.00 0.00 H new ATOM 0 HA GLU A 61 0.394 -7.534 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.257 -8.475 -3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.095 -9.820 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.378 -9.983 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.830 -8.788 -1.925 1.00 0.00 H new ATOM 1035 N ILE A 62 3.252 -7.236 -3.540 1.00 0.00 N ATOM 1036 CA ILE A 62 4.054 -6.197 -2.918 1.00 0.00 C ATOM 1037 C ILE A 62 4.484 -5.151 -3.944 1.00 0.00 C ATOM 1038 O ILE A 62 4.858 -4.058 -3.566 1.00 0.00 O ATOM 1039 CB ILE A 62 5.240 -6.740 -2.087 1.00 0.00 C ATOM 1040 CG1 ILE A 62 6.397 -7.221 -2.969 1.00 0.00 C ATOM 1041 CG2 ILE A 62 4.731 -7.825 -1.104 1.00 0.00 C ATOM 1042 CD1 ILE A 62 7.580 -7.712 -2.151 1.00 0.00 C ATOM 0 H ILE A 62 3.697 -8.150 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 62 3.411 -5.703 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 62 5.659 -5.924 -1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.047 -8.025 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.720 -6.406 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.567 -8.207 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.989 -7.390 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.278 -8.642 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.374 -8.042 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.949 -6.902 -1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.267 -8.545 -1.522 1.00 0.00 H new ATOM 1054 N ASN A 63 4.417 -5.456 -5.237 1.00 0.00 N ATOM 1055 CA ASN A 63 4.711 -4.448 -6.261 1.00 0.00 C ATOM 1056 C ASN A 63 3.506 -3.530 -6.409 1.00 0.00 C ATOM 1057 O ASN A 63 3.663 -2.330 -6.599 1.00 0.00 O ATOM 1058 CB ASN A 63 5.039 -5.074 -7.618 1.00 0.00 C ATOM 1059 CG ASN A 63 5.451 -4.044 -8.637 1.00 0.00 C ATOM 1060 OD1 ASN A 63 4.793 -3.840 -9.633 1.00 0.00 O ATOM 1061 ND2 ASN A 63 6.558 -3.396 -8.391 1.00 0.00 N ATOM 0 H ASN A 63 4.167 -6.376 -5.600 1.00 0.00 H new ATOM 0 HA ASN A 63 5.590 -3.890 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.841 -5.802 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.168 -5.617 -7.985 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.894 -2.692 -9.048 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.087 -3.594 -7.542 1.00 0.00 H new ATOM 1068 N LEU A 64 2.310 -4.089 -6.294 1.00 0.00 N ATOM 1069 CA LEU A 64 1.085 -3.293 -6.320 1.00 0.00 C ATOM 1070 C LEU A 64 1.089 -2.363 -5.113 1.00 0.00 C ATOM 1071 O LEU A 64 0.854 -1.155 -5.233 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.136 -4.214 -6.260 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.499 -3.528 -6.105 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.847 -2.682 -7.330 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.544 -4.600 -5.868 1.00 0.00 C ATOM 0 H LEU A 64 2.159 -5.091 -6.182 1.00 0.00 H new ATOM 0 HA LEU A 64 1.038 -2.712 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.157 -4.814 -7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.004 -4.904 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.467 -2.844 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.819 -2.212 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.088 -1.911 -7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.882 -3.319 -8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.523 -4.135 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.563 -5.284 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.298 -5.154 -4.962 1.00 0.00 H new ATOM 1087 N ALA A 65 1.380 -2.915 -3.945 1.00 0.00 N ATOM 1088 CA ALA A 65 1.455 -2.094 -2.740 1.00 0.00 C ATOM 1089 C ALA A 65 2.643 -1.105 -2.826 1.00 0.00 C ATOM 1090 O ALA A 65 2.620 -0.027 -2.237 1.00 0.00 O ATOM 1091 CB ALA A 65 1.559 -2.983 -1.526 1.00 0.00 C ATOM 0 H ALA A 65 1.565 -3.908 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 65 0.546 -1.500 -2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.615 -2.368 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.681 -3.627 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.456 -3.598 -1.601 1.00 0.00 H new ATOM 1097 N LYS A 66 3.680 -1.452 -3.578 1.00 0.00 N ATOM 1098 CA LYS A 66 4.798 -0.526 -3.790 1.00 0.00 C ATOM 1099 C LYS A 66 4.361 0.621 -4.694 1.00 0.00 C ATOM 1100 O LYS A 66 4.839 1.735 -4.535 1.00 0.00 O ATOM 1101 CB LYS A 66 6.016 -1.234 -4.390 1.00 0.00 C ATOM 1102 CG LYS A 66 7.258 -0.363 -4.446 1.00 0.00 C ATOM 1103 CD LYS A 66 8.443 -1.144 -4.970 1.00 0.00 C ATOM 1104 CE LYS A 66 9.690 -0.272 -4.962 1.00 0.00 C ATOM 1105 NZ LYS A 66 10.883 -1.019 -5.482 1.00 0.00 N ATOM 0 H LYS A 66 3.775 -2.353 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 66 5.091 -0.131 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.234 -2.126 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.771 -1.569 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.074 0.499 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.482 0.022 -3.451 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.605 -2.029 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.240 -1.492 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.520 0.615 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.888 0.073 -3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.717 -0.398 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.059 -1.852 -4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.701 -1.326 -6.459 1.00 0.00 H new ATOM 1119 N GLN A 67 3.455 0.367 -5.627 1.00 0.00 N ATOM 1120 CA GLN A 67 2.927 1.440 -6.467 1.00 0.00 C ATOM 1121 C GLN A 67 2.133 2.360 -5.552 1.00 0.00 C ATOM 1122 O GLN A 67 2.316 3.579 -5.591 1.00 0.00 O ATOM 1123 CB GLN A 67 2.064 0.894 -7.612 1.00 0.00 C ATOM 1124 CG GLN A 67 1.411 1.977 -8.480 1.00 0.00 C ATOM 1125 CD GLN A 67 2.410 2.943 -9.095 1.00 0.00 C ATOM 1126 OE1 GLN A 67 3.525 2.581 -9.443 1.00 0.00 O ATOM 1127 NE2 GLN A 67 2.009 4.180 -9.229 1.00 0.00 N ATOM 0 H GLN A 67 3.072 -0.558 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 67 3.739 1.985 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.682 0.259 -8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.282 0.260 -7.193 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.842 1.499 -9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.700 2.538 -7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.072 4.448 -8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.633 4.877 -9.635 1.00 0.00 H new ATOM 1136 N GLU A 68 1.284 1.785 -4.706 1.00 0.00 N ATOM 1137 CA GLU A 68 0.611 2.570 -3.672 1.00 0.00 C ATOM 1138 C GLU A 68 1.628 3.386 -2.843 1.00 0.00 C ATOM 1139 O GLU A 68 1.485 4.600 -2.681 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.178 1.631 -2.755 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.215 2.330 -1.941 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.948 1.401 -0.985 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -2.104 0.206 -1.307 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.377 1.878 0.090 1.00 0.00 O ATOM 0 H GLU A 68 1.047 0.793 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.069 3.271 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.659 0.863 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.515 1.121 -2.086 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.743 3.130 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.938 2.799 -2.609 1.00 0.00 H new ATOM 1151 N ALA A 69 2.664 2.727 -2.335 1.00 0.00 N ATOM 1152 CA ALA A 69 3.691 3.395 -1.523 1.00 0.00 C ATOM 1153 C ALA A 69 4.418 4.535 -2.266 1.00 0.00 C ATOM 1154 O ALA A 69 4.726 5.575 -1.677 1.00 0.00 O ATOM 1155 CB ALA A 69 4.708 2.360 -1.030 1.00 0.00 C ATOM 0 H ALA A 69 2.820 1.728 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 69 3.176 3.857 -0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.469 2.856 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.199 1.609 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.180 1.877 -1.886 1.00 0.00 H new ATOM 1161 N GLN A 70 4.689 4.347 -3.550 1.00 0.00 N ATOM 1162 CA GLN A 70 5.358 5.370 -4.356 1.00 0.00 C ATOM 1163 C GLN A 70 4.488 6.614 -4.398 1.00 0.00 C ATOM 1164 O GLN A 70 4.983 7.735 -4.282 1.00 0.00 O ATOM 1165 CB GLN A 70 5.624 4.844 -5.781 1.00 0.00 C ATOM 1166 CG GLN A 70 5.706 5.918 -6.899 1.00 0.00 C ATOM 1167 CD GLN A 70 6.791 6.966 -6.674 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.866 6.677 -6.156 1.00 0.00 O ATOM 1169 NE2 GLN A 70 6.516 8.184 -7.071 1.00 0.00 N ATOM 0 H GLN A 70 4.457 3.495 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 70 6.319 5.617 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.560 4.286 -5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.834 4.138 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.887 5.422 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.742 6.420 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.613 8.390 -7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.205 8.927 -6.953 1.00 0.00 H new ATOM 1178 N ARG A 71 3.189 6.434 -4.550 1.00 0.00 N ATOM 1179 CA ARG A 71 2.304 7.586 -4.605 1.00 0.00 C ATOM 1180 C ARG A 71 2.155 8.209 -3.229 1.00 0.00 C ATOM 1181 O ARG A 71 2.005 9.408 -3.122 1.00 0.00 O ATOM 1182 CB ARG A 71 0.948 7.201 -5.186 1.00 0.00 C ATOM 1183 CG ARG A 71 1.006 6.730 -6.645 1.00 0.00 C ATOM 1184 CD ARG A 71 1.628 7.776 -7.591 1.00 0.00 C ATOM 1185 NE ARG A 71 0.784 7.958 -8.776 1.00 0.00 N ATOM 1186 CZ ARG A 71 1.091 8.659 -9.858 1.00 0.00 C ATOM 1187 NH1 ARG A 71 2.227 9.291 -9.998 1.00 0.00 N ATOM 1188 NH2 ARG A 71 0.215 8.730 -10.819 1.00 0.00 N ATOM 0 H ARG A 71 2.731 5.527 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 71 2.748 8.330 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.514 6.409 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.278 8.058 -5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.585 5.808 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.002 6.494 -6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.742 8.726 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.625 7.456 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.128 7.501 -8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.924 9.258 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.416 9.817 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.682 8.253 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.426 9.263 -11.663 1.00 0.00 H new ATOM 1202 N LEU A 72 2.232 7.421 -2.168 1.00 0.00 N ATOM 1203 CA LEU A 72 2.159 7.968 -0.822 1.00 0.00 C ATOM 1204 C LEU A 72 3.415 8.810 -0.586 1.00 0.00 C ATOM 1205 O LEU A 72 3.351 9.867 0.027 1.00 0.00 O ATOM 1206 CB LEU A 72 1.973 6.836 0.184 1.00 0.00 C ATOM 1207 CG LEU A 72 0.523 6.307 0.116 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.426 4.874 0.578 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.425 7.186 0.944 1.00 0.00 C ATOM 0 H LEU A 72 2.344 6.408 -2.211 1.00 0.00 H new ATOM 0 HA LEU A 72 1.296 8.622 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.674 6.029 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.193 7.192 1.190 1.00 0.00 H new ATOM 0 HG LEU A 72 0.221 6.348 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.610 4.541 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.049 4.244 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.768 4.801 1.610 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.439 6.790 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.103 7.188 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.407 8.205 0.557 1.00 0.00 H new ATOM 1221 N LYS A 73 4.550 8.370 -1.117 1.00 0.00 N ATOM 1222 CA LYS A 73 5.791 9.167 -1.079 1.00 0.00 C ATOM 1223 C LYS A 73 5.619 10.454 -1.907 1.00 0.00 C ATOM 1224 O LYS A 73 5.997 11.558 -1.482 1.00 0.00 O ATOM 1225 CB LYS A 73 6.949 8.326 -1.650 1.00 0.00 C ATOM 1226 CG LYS A 73 8.205 9.109 -2.040 1.00 0.00 C ATOM 1227 CD LYS A 73 8.988 8.351 -3.109 1.00 0.00 C ATOM 1228 CE LYS A 73 10.091 9.215 -3.730 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.543 10.464 -4.388 1.00 0.00 N ATOM 0 H LYS A 73 4.646 7.467 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 73 6.013 9.443 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.226 7.574 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.588 7.792 -2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.927 10.095 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.832 9.266 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.431 7.457 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.305 8.017 -3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.806 9.498 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.636 8.628 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.005 10.603 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.517 10.362 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.729 11.287 -3.780 1.00 0.00 H new ATOM 1243 N GLU A 74 5.059 10.307 -3.093 1.00 0.00 N ATOM 1244 CA GLU A 74 4.875 11.437 -3.998 1.00 0.00 C ATOM 1245 C GLU A 74 3.980 12.501 -3.357 1.00 0.00 C ATOM 1246 O GLU A 74 4.252 13.695 -3.438 1.00 0.00 O ATOM 1247 CB GLU A 74 4.271 10.915 -5.303 1.00 0.00 C ATOM 1248 CG GLU A 74 4.378 11.851 -6.480 1.00 0.00 C ATOM 1249 CD GLU A 74 3.863 11.200 -7.756 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.098 11.854 -8.493 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.220 10.019 -8.024 1.00 0.00 O ATOM 0 H GLU A 74 4.721 9.416 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 74 5.835 11.910 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.760 9.976 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.218 10.690 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.809 12.759 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.417 12.150 -6.616 1.00 0.00 H new ATOM 1258 N LEU A 75 2.922 12.058 -2.697 1.00 0.00 N ATOM 1259 CA LEU A 75 2.002 12.969 -2.033 1.00 0.00 C ATOM 1260 C LEU A 75 2.574 13.563 -0.745 1.00 0.00 C ATOM 1261 O LEU A 75 2.433 14.773 -0.502 1.00 0.00 O ATOM 1262 CB LEU A 75 0.697 12.236 -1.718 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.177 11.826 -2.917 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.409 11.073 -2.403 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -0.592 13.036 -3.756 1.00 0.00 C ATOM 0 H LEU A 75 2.678 11.072 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 75 1.825 13.798 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.941 11.337 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.100 12.872 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 75 0.407 11.175 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.034 10.779 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.091 10.183 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.980 11.720 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.208 12.705 -4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.162 13.729 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.298 13.537 -4.137 1.00 0.00 H new ATOM 1277 N ARG A 76 3.226 12.740 0.075 1.00 0.00 N ATOM 1278 CA ARG A 76 3.792 13.217 1.350 1.00 0.00 C ATOM 1279 C ARG A 76 4.881 14.241 1.117 1.00 0.00 C ATOM 1280 O ARG A 76 5.183 15.027 2.009 1.00 0.00 O ATOM 1281 CB ARG A 76 4.328 12.058 2.225 1.00 0.00 C ATOM 1282 CG ARG A 76 5.632 11.454 1.770 1.00 0.00 C ATOM 1283 CD ARG A 76 6.865 12.075 2.419 1.00 0.00 C ATOM 1284 NE ARG A 76 8.035 11.912 1.545 1.00 0.00 N ATOM 1285 CZ ARG A 76 9.272 12.296 1.832 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.577 12.867 2.972 1.00 0.00 N ATOM 1287 NH2 ARG A 76 10.215 12.115 0.950 1.00 0.00 N ATOM 0 H ARG A 76 3.378 11.749 -0.112 1.00 0.00 H new ATOM 0 HA ARG A 76 2.975 13.691 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.452 12.423 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.574 11.271 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.620 10.386 1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.712 11.560 0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.690 13.134 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.054 11.603 3.383 1.00 0.00 H new ATOM 0 HE ARG A 76 7.883 11.466 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.852 13.029 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.539 13.150 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.997 11.683 0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.170 12.406 1.158 1.00 0.00 H new ATOM 1301 N GLU A 77 5.470 14.254 -0.074 1.00 0.00 N ATOM 1302 CA GLU A 77 6.486 15.262 -0.376 1.00 0.00 C ATOM 1303 C GLU A 77 5.868 16.673 -0.414 1.00 0.00 C ATOM 1304 O GLU A 77 6.583 17.669 -0.298 1.00 0.00 O ATOM 1305 CB GLU A 77 7.261 14.885 -1.646 1.00 0.00 C ATOM 1306 CG GLU A 77 8.407 13.954 -1.258 1.00 0.00 C ATOM 1307 CD GLU A 77 9.038 13.154 -2.386 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.975 13.528 -3.570 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.634 12.097 -2.046 1.00 0.00 O ATOM 0 H GLU A 77 5.271 13.598 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 77 7.222 15.286 0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.600 14.394 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.649 15.780 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.187 14.551 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.040 13.255 -0.507 1.00 0.00 H new ATOM 1316 N GLY A 78 4.542 16.756 -0.509 1.00 0.00 N ATOM 1317 CA GLY A 78 3.858 18.036 -0.360 1.00 0.00 C ATOM 1318 C GLY A 78 3.353 18.695 -1.624 1.00 0.00 C ATOM 1319 O GLY A 78 3.968 19.616 -2.144 1.00 0.00 O ATOM 0 H GLY A 78 3.927 15.962 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.010 17.891 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.539 18.729 0.135 1.00 0.00 H new ATOM 1323 N THR A 79 2.208 18.239 -2.107 1.00 0.00 N ATOM 1324 CA THR A 79 1.590 18.799 -3.312 1.00 0.00 C ATOM 1325 C THR A 79 0.965 20.180 -3.105 1.00 0.00 C ATOM 1326 O THR A 79 0.533 20.803 -4.067 1.00 0.00 O ATOM 1327 CB THR A 79 0.443 17.893 -3.783 1.00 0.00 C ATOM 1328 OG1 THR A 79 -0.520 17.786 -2.730 1.00 0.00 O ATOM 1329 CG2 THR A 79 0.947 16.496 -4.115 1.00 0.00 C ATOM 0 H THR A 79 1.680 17.476 -1.683 1.00 0.00 H new ATOM 0 HA THR A 79 2.403 18.876 -4.034 1.00 0.00 H new ATOM 0 HB THR A 79 0.003 18.331 -4.679 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.385 18.126 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.113 15.877 -4.445 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.691 16.557 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.399 16.052 -3.228 1.00 0.00 H new ATOM 1337 N GLU A 80 0.908 20.633 -1.854 1.00 0.00 N ATOM 1338 CA GLU A 80 0.237 21.891 -1.471 1.00 0.00 C ATOM 1339 C GLU A 80 -1.273 21.753 -1.754 1.00 0.00 C ATOM 1340 O GLU A 80 -1.777 20.638 -1.903 1.00 0.00 O ATOM 1341 CB GLU A 80 0.872 23.119 -2.168 1.00 0.00 C ATOM 1342 CG GLU A 80 1.434 24.175 -1.202 1.00 0.00 C ATOM 1343 CD GLU A 80 0.365 24.993 -0.463 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.599 25.361 0.715 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.703 25.283 -1.048 1.00 0.00 O ATOM 0 H GLU A 80 1.327 20.139 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 80 0.374 22.068 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.675 22.777 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.122 23.589 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.066 23.677 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.074 24.858 -1.762 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.990 22.867 -1.800 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.432 22.845 -2.033 1.00 0.00 C ATOM 1354 C ASN A 81 -3.778 22.414 -3.452 1.00 0.00 C ATOM 1355 O ASN A 81 -2.986 22.582 -4.383 1.00 0.00 O ATOM 1356 CB ASN A 81 -4.028 24.240 -1.824 1.00 0.00 C ATOM 1357 CG ASN A 81 -3.817 25.141 -3.024 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -4.665 25.227 -3.911 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -2.703 25.821 -3.058 1.00 0.00 N ATOM 0 H ASN A 81 -1.598 23.801 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.845 22.128 -1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.096 24.150 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.576 24.698 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.513 26.449 -3.839 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.023 25.724 -2.304 1.00 0.00 H new ATOM 1366 N GLU A 82 -4.981 21.889 -3.618 1.00 0.00 N ATOM 1367 CA GLU A 82 -5.454 21.473 -4.929 1.00 0.00 C ATOM 1368 C GLU A 82 -5.947 22.644 -5.784 1.00 0.00 C ATOM 1369 O GLU A 82 -7.146 22.823 -6.011 1.00 0.00 O ATOM 1370 CB GLU A 82 -6.550 20.422 -4.798 1.00 0.00 C ATOM 1371 CG GLU A 82 -6.048 19.139 -4.176 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.966 17.976 -4.467 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -6.504 17.008 -5.112 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -8.144 18.026 -4.067 1.00 0.00 O ATOM 0 H GLU A 82 -5.648 21.741 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.596 21.040 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.363 20.822 -4.192 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.963 20.207 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.050 18.918 -4.555 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.958 19.269 -3.098 1.00 0.00 H new ATOM 1479 N TYR A 88 -4.930 16.645 -8.790 1.00 0.00 N ATOM 1480 CA TYR A 88 -4.636 15.228 -8.881 1.00 0.00 C ATOM 1481 C TYR A 88 -4.160 14.694 -7.535 1.00 0.00 C ATOM 1482 O TYR A 88 -3.969 13.516 -7.388 1.00 0.00 O ATOM 1483 CB TYR A 88 -3.585 14.963 -9.974 1.00 0.00 C ATOM 1484 CG TYR A 88 -2.155 14.807 -9.471 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.572 13.523 -9.355 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.373 15.930 -9.123 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.234 13.362 -8.902 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.030 15.768 -8.665 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.524 14.483 -8.567 1.00 0.00 C ATOM 1490 OH TYR A 88 1.822 14.331 -8.144 1.00 0.00 O ATOM 0 HA TYR A 88 -5.551 14.703 -9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.865 14.058 -10.514 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.614 15.784 -10.691 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.153 12.651 -9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.795 16.921 -9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.194 12.374 -8.818 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.558 16.633 -8.395 1.00 0.00 H new ATOM 0 HH TYR A 88 2.116 13.412 -8.314 1.00 0.00 H new ATOM 1500 N ALA A 89 -3.954 15.557 -6.550 1.00 0.00 N ATOM 1501 CA ALA A 89 -3.388 15.098 -5.283 1.00 0.00 C ATOM 1502 C ALA A 89 -4.304 14.122 -4.523 1.00 0.00 C ATOM 1503 O ALA A 89 -3.941 12.975 -4.278 1.00 0.00 O ATOM 1504 CB ALA A 89 -3.061 16.311 -4.403 1.00 0.00 C ATOM 0 H ALA A 89 -4.163 16.554 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.481 14.543 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.639 15.971 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.339 16.948 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.972 16.877 -4.211 1.00 0.00 H new ATOM 1510 N GLU A 90 -5.497 14.556 -4.157 1.00 0.00 N ATOM 1511 CA GLU A 90 -6.392 13.690 -3.391 1.00 0.00 C ATOM 1512 C GLU A 90 -7.040 12.705 -4.356 1.00 0.00 C ATOM 1513 O GLU A 90 -7.548 11.665 -3.958 1.00 0.00 O ATOM 1514 CB GLU A 90 -7.413 14.505 -2.597 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.759 15.401 -1.514 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.904 14.614 -0.500 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.434 13.724 0.192 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.687 14.897 -0.385 1.00 0.00 O ATOM 0 H GLU A 90 -5.868 15.482 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.829 13.130 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.983 15.131 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.121 13.826 -2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.134 16.149 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.541 15.939 -0.978 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.972 13.015 -5.642 1.00 0.00 N ATOM 1526 CA GLU A 91 -7.367 12.057 -6.669 1.00 0.00 C ATOM 1527 C GLU A 91 -6.377 10.890 -6.582 1.00 0.00 C ATOM 1528 O GLU A 91 -6.748 9.732 -6.739 1.00 0.00 O ATOM 1529 CB GLU A 91 -7.288 12.696 -8.059 1.00 0.00 C ATOM 1530 CG GLU A 91 -7.695 11.785 -9.209 1.00 0.00 C ATOM 1531 CD GLU A 91 -7.231 12.330 -10.552 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -7.708 13.417 -10.964 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -6.383 11.684 -11.196 1.00 0.00 O ATOM 0 H GLU A 91 -6.650 13.914 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.394 11.726 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.925 13.580 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.266 13.036 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.272 10.792 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.779 11.672 -9.217 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.111 11.191 -6.320 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.104 10.144 -6.240 1.00 0.00 C ATOM 1542 C GLU A 92 -4.316 9.344 -4.967 1.00 0.00 C ATOM 1543 O GLU A 92 -3.944 8.189 -4.891 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.696 10.732 -6.290 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.639 9.734 -6.661 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.809 9.235 -8.083 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.794 10.058 -9.021 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.936 8.004 -8.270 1.00 0.00 O ATOM 0 H GLU A 92 -4.762 12.136 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.208 9.482 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.679 11.551 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.455 11.158 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.655 10.189 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.679 8.890 -5.973 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.948 9.943 -3.968 1.00 0.00 N ATOM 1556 CA LEU A 93 -5.281 9.201 -2.755 1.00 0.00 C ATOM 1557 C LEU A 93 -6.351 8.169 -3.115 1.00 0.00 C ATOM 1558 O LEU A 93 -6.341 7.057 -2.609 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.791 10.118 -1.639 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.969 9.404 -0.286 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.609 9.045 0.341 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.784 10.278 0.660 1.00 0.00 C ATOM 0 H LEU A 93 -5.237 10.921 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.380 8.717 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.094 10.946 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.746 10.548 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.507 8.472 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.769 8.542 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.062 8.383 -0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.032 9.955 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.905 9.766 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.266 11.224 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.764 10.470 0.224 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.265 8.524 -4.006 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.276 7.569 -4.464 1.00 0.00 C ATOM 1576 C GLU A 94 -7.615 6.492 -5.333 1.00 0.00 C ATOM 1577 O GLU A 94 -8.040 5.343 -5.314 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.402 8.263 -5.244 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.399 9.031 -4.366 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.396 8.109 -3.656 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.027 7.489 -2.634 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -12.556 8.007 -4.109 1.00 0.00 O ATOM 0 H GLU A 94 -7.332 9.452 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.724 7.105 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.959 8.955 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.945 7.513 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.851 9.608 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.946 9.744 -4.983 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.569 6.840 -6.072 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.829 5.843 -6.867 1.00 0.00 C ATOM 1591 C GLN A 95 -5.001 4.931 -5.937 1.00 0.00 C ATOM 1592 O GLN A 95 -4.842 3.743 -6.194 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.931 6.533 -7.902 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.725 7.273 -8.991 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.839 7.970 -10.011 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -4.053 7.339 -10.710 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -4.973 9.271 -10.109 1.00 0.00 N ATOM 0 H GLN A 95 -6.210 7.792 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.546 5.224 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.277 7.241 -7.393 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.289 5.788 -8.372 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.371 6.562 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.375 8.011 -8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.637 9.762 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.413 9.792 -10.784 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.511 5.481 -4.836 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.829 4.709 -3.785 1.00 0.00 C ATOM 1608 C VAL A 96 -4.854 3.732 -3.206 1.00 0.00 C ATOM 1609 O VAL A 96 -4.606 2.529 -3.022 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.283 5.704 -2.690 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.395 5.156 -1.254 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -1.855 6.102 -3.015 1.00 0.00 C ATOM 0 H VAL A 96 -4.571 6.480 -4.637 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.977 4.150 -4.173 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.920 6.588 -2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.001 5.891 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.441 4.956 -1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.822 4.233 -1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.487 6.789 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.225 5.213 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.826 6.591 -3.989 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.038 4.258 -2.949 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.139 3.465 -2.439 1.00 0.00 C ATOM 1624 C ARG A 97 -7.529 2.415 -3.463 1.00 0.00 C ATOM 1625 O ARG A 97 -8.070 1.396 -3.104 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.313 4.389 -2.130 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.401 3.806 -1.266 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.501 4.830 -1.204 1.00 0.00 C ATOM 1629 NE ARG A 97 -11.592 4.490 -0.284 1.00 0.00 N ATOM 1630 CZ ARG A 97 -12.692 5.219 -0.127 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -12.906 6.323 -0.803 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -13.595 4.829 0.730 1.00 0.00 N ATOM 0 H ARG A 97 -6.262 5.243 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.842 2.953 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.927 5.283 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.757 4.708 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.768 2.869 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.024 3.582 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.074 5.787 -0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.913 4.964 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.500 3.639 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.215 6.650 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.764 6.854 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.452 3.975 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.444 5.378 0.861 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.271 2.653 -4.739 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.571 1.663 -5.773 1.00 0.00 C ATOM 1648 C GLU A 98 -6.507 0.566 -5.773 1.00 0.00 C ATOM 1649 O GLU A 98 -6.836 -0.599 -5.949 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.706 2.317 -7.148 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.394 1.410 -8.163 1.00 0.00 C ATOM 1652 CD GLU A 98 -8.882 2.159 -9.396 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -8.636 3.378 -9.507 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -9.532 1.519 -10.251 1.00 0.00 O ATOM 0 H GLU A 98 -6.856 3.517 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.533 1.205 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.272 3.244 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.716 2.585 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.701 0.627 -8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.241 0.916 -7.686 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.250 0.929 -5.533 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.179 -0.060 -5.366 1.00 0.00 C ATOM 1663 C ALA A 99 -4.590 -0.959 -4.187 1.00 0.00 C ATOM 1664 O ALA A 99 -4.588 -2.195 -4.287 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.849 0.629 -5.099 1.00 0.00 C ATOM 0 H ALA A 99 -4.944 1.898 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.045 -0.653 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.068 -0.122 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.601 1.279 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.924 1.224 -4.189 1.00 0.00 H new ATOM 1671 N LEU A 100 -4.973 -0.327 -3.084 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.424 -1.064 -1.897 1.00 0.00 C ATOM 1673 C LEU A 100 -6.675 -1.920 -2.179 1.00 0.00 C ATOM 1674 O LEU A 100 -6.760 -3.082 -1.776 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.692 -0.064 -0.764 1.00 0.00 C ATOM 1676 CG LEU A 100 -5.926 -0.648 0.639 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.393 0.332 1.683 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -7.415 -0.918 0.911 1.00 0.00 C ATOM 0 H LEU A 100 -4.983 0.688 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.637 -1.758 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.846 0.621 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.566 0.529 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.399 -1.601 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.555 -0.075 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.326 0.488 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.917 1.283 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.533 -1.330 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.974 0.015 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.795 -1.630 0.179 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.648 -1.353 -2.884 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.884 -2.077 -3.218 1.00 0.00 C ATOM 1692 C ARG A 101 -8.592 -3.262 -4.115 1.00 0.00 C ATOM 1693 O ARG A 101 -9.224 -4.298 -3.977 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.895 -1.160 -3.915 1.00 0.00 C ATOM 1695 CG ARG A 101 -10.747 -0.330 -2.950 1.00 0.00 C ATOM 1696 CD ARG A 101 -11.611 0.697 -3.694 1.00 0.00 C ATOM 1697 NE ARG A 101 -10.813 1.813 -4.237 1.00 0.00 N ATOM 1698 CZ ARG A 101 -11.291 2.819 -4.967 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -12.557 2.904 -5.291 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -10.492 3.758 -5.382 1.00 0.00 N ATOM 0 H ARG A 101 -7.612 -0.397 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.311 -2.430 -2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.359 -0.486 -4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.554 -1.767 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.389 -0.993 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.097 0.185 -2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.140 0.202 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.368 1.091 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 101 -9.813 1.814 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.212 2.185 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.888 3.689 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.500 3.724 -5.148 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.858 4.529 -5.941 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.636 -3.126 -5.023 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.256 -4.238 -5.890 1.00 0.00 C ATOM 1716 C LYS A 102 -6.655 -5.331 -5.024 1.00 0.00 C ATOM 1717 O LYS A 102 -6.975 -6.491 -5.211 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.269 -3.784 -6.975 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.790 -4.917 -7.895 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.913 -4.379 -9.027 1.00 0.00 C ATOM 1721 CE LYS A 102 -4.310 -5.503 -9.890 1.00 0.00 C ATOM 1722 NZ LYS A 102 -3.168 -6.227 -9.212 1.00 0.00 N ATOM 0 H LYS A 102 -7.112 -2.265 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.136 -4.620 -6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.742 -3.012 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.403 -3.327 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.229 -5.648 -7.313 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.651 -5.437 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -5.506 -3.718 -9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.108 -3.778 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.092 -6.221 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.956 -5.080 -10.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.884 -7.044 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.361 -5.580 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.474 -6.556 -8.274 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.808 -4.969 -4.071 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.209 -5.966 -3.184 1.00 0.00 C ATOM 1738 C ALA A 103 -6.280 -6.671 -2.327 1.00 0.00 C ATOM 1739 O ALA A 103 -6.289 -7.899 -2.202 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.168 -5.304 -2.295 1.00 0.00 C ATOM 0 H ALA A 103 -5.521 -4.007 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.726 -6.726 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.725 -6.050 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.390 -4.859 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.642 -4.527 -1.696 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.190 -5.901 -1.747 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.265 -6.490 -0.939 1.00 0.00 C ATOM 1748 C GLU A 104 -9.134 -7.409 -1.803 1.00 0.00 C ATOM 1749 O GLU A 104 -9.543 -8.485 -1.368 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.128 -5.391 -0.314 1.00 0.00 C ATOM 1751 CG GLU A 104 -8.496 -4.741 0.919 1.00 0.00 C ATOM 1752 CD GLU A 104 -8.560 -5.642 2.154 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -7.501 -6.131 2.604 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -9.676 -5.852 2.681 1.00 0.00 O ATOM 0 H GLU A 104 -7.212 -4.883 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.813 -7.078 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.319 -4.622 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.094 -5.813 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -7.455 -4.498 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.006 -3.801 1.132 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.403 -6.998 -3.036 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.193 -7.819 -3.956 1.00 0.00 C ATOM 1763 C LYS A 105 -9.425 -9.080 -4.334 1.00 0.00 C ATOM 1764 O LYS A 105 -10.018 -10.146 -4.484 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.564 -7.022 -5.217 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.405 -7.804 -6.239 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.762 -8.233 -5.671 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.500 -9.129 -6.650 1.00 0.00 C ATOM 1769 NZ LYS A 105 -14.810 -9.561 -6.070 1.00 0.00 N ATOM 0 H LYS A 105 -9.090 -6.108 -3.424 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.114 -8.108 -3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.114 -6.130 -4.919 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.648 -6.685 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.563 -7.187 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.853 -8.687 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.616 -8.760 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.365 -7.351 -5.453 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.667 -8.597 -7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.892 -10.003 -6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.071 -10.491 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.727 -9.627 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.544 -8.866 -6.314 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.114 -8.970 -4.474 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.286 -10.133 -4.767 1.00 0.00 C ATOM 1785 C GLU A 106 -7.411 -11.095 -3.609 1.00 0.00 C ATOM 1786 O GLU A 106 -7.700 -12.263 -3.819 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.814 -9.758 -4.935 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.442 -9.282 -6.312 1.00 0.00 C ATOM 1789 CD GLU A 106 -4.018 -8.760 -6.350 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.141 -9.328 -5.660 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.775 -7.767 -7.067 1.00 0.00 O ATOM 0 H GLU A 106 -7.600 -8.093 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.627 -10.576 -5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.567 -8.977 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.201 -10.625 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.550 -10.101 -7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.128 -8.495 -6.625 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.215 -10.614 -2.387 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.294 -11.495 -1.216 1.00 0.00 C ATOM 1800 C LEU A 107 -8.655 -12.178 -1.127 1.00 0.00 C ATOM 1801 O LEU A 107 -8.744 -13.385 -0.849 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.042 -10.706 0.069 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.622 -10.162 0.284 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.627 -9.326 1.556 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.592 -11.292 0.387 1.00 0.00 C ATOM 0 H LEU A 107 -7.004 -9.638 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.525 -12.259 -1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.734 -9.865 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.291 -11.347 0.915 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.335 -9.553 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.628 -8.927 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.333 -8.503 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.923 -9.949 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.600 -10.867 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.843 -11.937 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.600 -11.876 -0.533 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.713 -11.420 -1.380 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.062 -11.974 -1.373 1.00 0.00 C ATOM 1819 C GLU A 108 -11.133 -13.098 -2.403 1.00 0.00 C ATOM 1820 O GLU A 108 -11.592 -14.194 -2.103 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.093 -10.887 -1.709 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.545 -11.342 -1.566 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.521 -10.352 -2.189 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.485 -10.192 -3.432 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -15.328 -9.741 -1.461 1.00 0.00 O ATOM 0 H GLU A 108 -9.665 -10.423 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.291 -12.362 -0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.926 -10.029 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.928 -10.548 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.667 -12.317 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.782 -11.468 -0.510 1.00 0.00 H new ATOM 1832 N SER A 109 -10.663 -12.835 -3.615 1.00 0.00 N ATOM 1833 CA SER A 109 -10.708 -13.828 -4.687 1.00 0.00 C ATOM 1834 C SER A 109 -9.843 -15.054 -4.398 1.00 0.00 C ATOM 1835 O SER A 109 -10.191 -16.159 -4.800 1.00 0.00 O ATOM 1836 CB SER A 109 -10.287 -13.197 -6.017 1.00 0.00 C ATOM 1837 OG SER A 109 -8.915 -12.835 -6.033 1.00 0.00 O ATOM 0 H SER A 109 -10.246 -11.944 -3.883 1.00 0.00 H new ATOM 0 HA SER A 109 -11.741 -14.170 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.484 -13.898 -6.828 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.896 -12.313 -6.205 1.00 0.00 H new ATOM 0 HG SER A 109 -8.627 -12.605 -5.125 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.735 -14.879 -3.689 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.856 -16.005 -3.390 1.00 0.00 C ATOM 1845 C HIS A 110 -8.483 -16.862 -2.302 1.00 0.00 C ATOM 1846 O HIS A 110 -8.163 -18.034 -2.176 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.504 -15.522 -2.847 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.682 -14.741 -3.826 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.387 -15.144 -5.105 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -5.040 -13.549 -3.679 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.617 -14.216 -5.666 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.365 -13.222 -4.836 1.00 0.00 N ATOM 0 H HIS A 110 -8.426 -13.982 -3.314 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.713 -16.564 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.681 -14.904 -1.967 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.929 -16.388 -2.519 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.704 -16.006 -5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -5.057 -12.946 -2.783 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.243 -14.270 -6.678 1.00 0.00 H new ATOM 1860 N SER A 111 -9.385 -16.281 -1.525 1.00 0.00 N ATOM 1861 CA SER A 111 -10.048 -17.005 -0.437 1.00 0.00 C ATOM 1862 C SER A 111 -11.471 -17.432 -0.810 1.00 0.00 C ATOM 1863 O SER A 111 -12.108 -18.170 -0.071 1.00 0.00 O ATOM 1864 CB SER A 111 -10.106 -16.100 0.791 1.00 0.00 C ATOM 1865 OG SER A 111 -10.729 -14.867 0.467 1.00 0.00 O ATOM 0 H SER A 111 -9.679 -15.309 -1.623 1.00 0.00 H new ATOM 0 HA SER A 111 -9.473 -17.908 -0.234 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.658 -16.595 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 111 -9.098 -15.919 1.165 1.00 0.00 H new ATOM 0 HG SER A 111 -10.084 -14.284 0.015 1.00 0.00 H new ATOM 1871 N SER A 112 -11.966 -16.976 -1.956 1.00 0.00 N ATOM 1872 CA SER A 112 -13.334 -17.298 -2.391 1.00 0.00 C ATOM 1873 C SER A 112 -13.514 -18.768 -2.753 1.00 0.00 C ATOM 1874 O SER A 112 -14.631 -19.285 -2.725 1.00 0.00 O ATOM 1875 CB SER A 112 -13.718 -16.455 -3.609 1.00 0.00 C ATOM 1876 OG SER A 112 -13.825 -15.082 -3.274 1.00 0.00 O ATOM 0 H SER A 112 -11.447 -16.383 -2.604 1.00 0.00 H new ATOM 0 HA SER A 112 -13.980 -17.074 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.971 -16.583 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.667 -16.808 -4.013 1.00 0.00 H new ATOM 0 HG SER A 112 -13.114 -14.843 -2.644 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.427 -19.439 -3.104 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.483 -20.851 -3.471 1.00 0.00 C ATOM 1884 C TRP A 113 -11.429 -21.616 -2.693 1.00 0.00 C ATOM 1885 O TRP A 113 -10.231 -21.349 -2.820 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.272 -21.008 -4.977 1.00 0.00 C ATOM 1887 CG TRP A 113 -13.313 -20.266 -5.765 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -14.596 -20.642 -5.989 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -13.171 -18.988 -6.419 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -15.273 -19.716 -6.727 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -14.431 -18.677 -7.011 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -12.112 -18.068 -6.556 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -14.657 -17.481 -7.725 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -12.334 -16.863 -7.275 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -13.609 -16.585 -7.850 1.00 0.00 C ATOM 0 H TRP A 113 -11.493 -19.030 -3.143 1.00 0.00 H new ATOM 0 HA TRP A 113 -13.464 -21.256 -3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.282 -20.640 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -12.302 -22.065 -5.240 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -15.029 -21.563 -5.627 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -16.248 -19.787 -7.019 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -11.146 -18.276 -6.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -15.622 -17.270 -8.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -11.530 -16.151 -7.387 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -13.759 -15.662 -8.391 1.00 0.00 H new