USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 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+ -148:sc= 2.94 (180deg=-0.426) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.72 K(o=4.7,f=-11!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= 0.892 K(o=-0.25,f=-7.7!) USER MOD Set 2.2: A 34 GLN : amide:sc= -1.14! K(o=-0.25!,f=-3) 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+ 158:sc= 1.96 (180deg=1.35) USER MOD Single : A 12 HIS : no HE2:sc= 0.266 K(o=0.27,f=-1.3) USER MOD Single : A 13 MET CE :methyl 171:sc= 0 (180deg=-0.0544) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 0.781 (180deg=-0.189!) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= 0.774 (180deg=-0.643) USER MOD Single : A 16 MET CE :methyl 173:sc= 0 (180deg=-0.0696) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.0249 (180deg=-0.0571) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.09) USER MOD Single : A 24 HIS : no HE2:sc= 1.21 K(o=1.2,f=-3.9!) USER MOD Single : A 28 GLN : amide:sc=-0.00484 K(o=-0.0048,f=-2.4!) USER MOD Single : A 29 SER OG : rot -17:sc= 1.11 USER MOD Single : A 38 HIS : no HE2:sc= -1.25 X(o=-1.3,f=-0.88) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 1.52 (180deg=1.04) USER MOD Single : A 41 GLN : amide:sc= -0.0505 K(o=-0.05,f=-0.65) USER MOD Single : A 44 HIS : no HD1:sc= -0.407 X(o=-0.41,f=0) USER MOD Single : A 46 THR OG1 : rot -61:sc= 1.21 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HE2:sc= 0.874 K(o=0.87,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= 1.2 (180deg=1.04) USER MOD Single : A 63 ASN : amide:sc=-0.00654 K(o=-0.0065,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc=-0.000814 X(o=-0.00081,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 121:sc= 1.08 USER MOD Single : A 81 ASN : amide:sc= -0.521 X(o=-0.52,f=-0.53) USER MOD Single : A 88 TYR OH : rot 3:sc= 1.28 USER MOD Single : A 95 GLN : amide:sc= -1.15 K(o=-1.1,f=-0.32) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.18) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -36:sc= 1.26 USER MOD Single : A 111 SER OG : rot -16:sc= 1.13 USER MOD Single : A 112 SER OG : rot 67:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 4.750 29.167 4.187 1.00 0.00 N ATOM 85 CA ARG A 7 3.381 28.664 4.135 1.00 0.00 C ATOM 86 C ARG A 7 3.340 27.310 3.435 1.00 0.00 C ATOM 87 O ARG A 7 2.594 26.420 3.833 1.00 0.00 O ATOM 88 CB ARG A 7 2.482 29.656 3.394 1.00 0.00 C ATOM 89 CG ARG A 7 1.025 29.531 3.775 1.00 0.00 C ATOM 90 CD ARG A 7 0.118 29.826 2.608 1.00 0.00 C ATOM 91 NE ARG A 7 0.236 31.196 2.079 1.00 0.00 N ATOM 92 CZ ARG A 7 -0.556 31.707 1.143 1.00 0.00 C ATOM 93 NH1 ARG A 7 -1.537 31.012 0.611 1.00 0.00 N ATOM 94 NH2 ARG A 7 -0.363 32.930 0.734 1.00 0.00 N ATOM 0 HA ARG A 7 3.017 28.546 5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.821 30.671 3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.586 29.500 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.830 28.524 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.802 30.217 4.592 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.335 29.120 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.914 29.655 2.913 1.00 0.00 H new ATOM 0 HE ARG A 7 0.974 31.791 2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.706 30.053 0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.129 31.431 -0.106 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.392 33.488 1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.967 33.329 0.016 1.00 0.00 H new ATOM 108 N TYR A 8 4.157 27.136 2.411 1.00 0.00 N ATOM 109 CA TYR A 8 4.162 25.875 1.692 1.00 0.00 C ATOM 110 C TYR A 8 5.077 24.868 2.365 1.00 0.00 C ATOM 111 O TYR A 8 4.892 23.683 2.171 1.00 0.00 O ATOM 112 CB TYR A 8 4.645 26.079 0.248 1.00 0.00 C ATOM 113 CG TYR A 8 3.635 26.768 -0.650 1.00 0.00 C ATOM 114 CD1 TYR A 8 2.369 26.194 -0.886 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.940 27.993 -1.281 1.00 0.00 C ATOM 116 CE1 TYR A 8 1.424 26.833 -1.730 1.00 0.00 C ATOM 117 CE2 TYR A 8 2.991 28.636 -2.123 1.00 0.00 C ATOM 118 CZ TYR A 8 1.746 28.046 -2.337 1.00 0.00 C ATOM 119 OH TYR A 8 0.828 28.654 -3.155 1.00 0.00 O ATOM 0 H TYR A 8 4.813 27.836 2.064 1.00 0.00 H new ATOM 0 HA TYR A 8 3.140 25.497 1.693 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.563 26.667 0.263 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.895 25.109 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.115 25.255 -0.418 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.907 28.448 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.458 26.381 -1.902 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.234 29.577 -2.594 1.00 0.00 H new ATOM 0 HH TYR A 8 1.202 29.491 -3.501 1.00 0.00 H new ATOM 129 N SER A 9 6.022 25.292 3.194 1.00 0.00 N ATOM 130 CA SER A 9 6.842 24.311 3.911 1.00 0.00 C ATOM 131 C SER A 9 6.007 23.743 5.055 1.00 0.00 C ATOM 132 O SER A 9 6.094 22.560 5.368 1.00 0.00 O ATOM 133 CB SER A 9 8.148 24.919 4.428 1.00 0.00 C ATOM 134 OG SER A 9 7.917 25.932 5.386 1.00 0.00 O ATOM 0 H SER A 9 6.239 26.270 3.386 1.00 0.00 H new ATOM 0 HA SER A 9 7.132 23.515 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.763 24.135 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.712 25.333 3.592 1.00 0.00 H new ATOM 0 HG SER A 9 8.775 26.294 5.693 1.00 0.00 H new ATOM 140 N LYS A 10 5.176 24.592 5.653 1.00 0.00 N ATOM 141 CA LYS A 10 4.249 24.177 6.712 1.00 0.00 C ATOM 142 C LYS A 10 3.377 23.043 6.202 1.00 0.00 C ATOM 143 O LYS A 10 3.291 21.982 6.817 1.00 0.00 O ATOM 144 CB LYS A 10 3.366 25.380 7.125 1.00 0.00 C ATOM 145 CG LYS A 10 2.024 25.032 7.866 1.00 0.00 C ATOM 146 CD LYS A 10 0.880 26.040 7.567 1.00 0.00 C ATOM 147 CE LYS A 10 0.497 26.059 6.070 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.972 26.095 5.762 1.00 0.00 N ATOM 0 H LYS A 10 5.123 25.584 5.421 1.00 0.00 H new ATOM 0 HA LYS A 10 4.812 23.833 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.955 26.032 7.770 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.125 25.952 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.704 24.032 7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.206 25.007 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.004 25.780 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.189 27.039 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.965 26.928 5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.925 25.176 5.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.117 26.472 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.362 25.133 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.456 26.705 6.451 1.00 0.00 H new ATOM 162 N GLU A 11 2.710 23.271 5.085 1.00 0.00 N ATOM 163 CA GLU A 11 1.770 22.282 4.585 1.00 0.00 C ATOM 164 C GLU A 11 2.472 21.101 3.944 1.00 0.00 C ATOM 165 O GLU A 11 1.979 19.993 4.019 1.00 0.00 O ATOM 166 CB GLU A 11 0.775 22.924 3.628 1.00 0.00 C ATOM 167 CG GLU A 11 -0.597 22.245 3.639 1.00 0.00 C ATOM 168 CD GLU A 11 -1.223 22.203 5.035 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.627 21.112 5.462 1.00 0.00 O ATOM 170 OE2 GLU A 11 -1.304 23.255 5.726 1.00 0.00 O ATOM 0 H GLU A 11 2.797 24.113 4.516 1.00 0.00 H new ATOM 0 HA GLU A 11 1.218 21.891 5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.655 23.975 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.181 22.892 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.266 22.775 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.498 21.228 3.259 1.00 0.00 H new ATOM 177 N HIS A 12 3.635 21.323 3.346 1.00 0.00 N ATOM 178 CA HIS A 12 4.412 20.216 2.794 1.00 0.00 C ATOM 179 C HIS A 12 4.785 19.270 3.922 1.00 0.00 C ATOM 180 O HIS A 12 4.623 18.076 3.796 1.00 0.00 O ATOM 181 CB HIS A 12 5.683 20.723 2.114 1.00 0.00 C ATOM 182 CG HIS A 12 6.646 19.637 1.755 1.00 0.00 C ATOM 183 ND1 HIS A 12 6.383 18.628 0.867 1.00 0.00 N ATOM 184 CD2 HIS A 12 7.908 19.392 2.205 1.00 0.00 C ATOM 185 CE1 HIS A 12 7.454 17.842 0.804 1.00 0.00 C ATOM 186 NE2 HIS A 12 8.417 18.264 1.599 1.00 0.00 N ATOM 0 H HIS A 12 4.058 22.244 3.230 1.00 0.00 H new ATOM 0 HA HIS A 12 3.809 19.700 2.047 1.00 0.00 H new ATOM 0 HB2 HIS A 12 5.409 21.267 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 12 6.180 21.433 2.775 1.00 0.00 H new ATOM 0 HD1 HIS A 12 5.516 18.501 0.345 1.00 0.00 H new ATOM 0 HD2 HIS A 12 8.433 19.994 2.931 1.00 0.00 H new ATOM 0 HE1 HIS A 12 7.526 16.965 0.178 1.00 0.00 H new ATOM 194 N MET A 13 5.265 19.798 5.039 1.00 0.00 N ATOM 195 CA MET A 13 5.637 18.952 6.172 1.00 0.00 C ATOM 196 C MET A 13 4.420 18.195 6.712 1.00 0.00 C ATOM 197 O MET A 13 4.499 16.996 7.004 1.00 0.00 O ATOM 198 CB MET A 13 6.256 19.810 7.278 1.00 0.00 C ATOM 199 CG MET A 13 6.824 19.005 8.435 1.00 0.00 C ATOM 200 SD MET A 13 7.510 20.072 9.724 1.00 0.00 S ATOM 201 CE MET A 13 6.012 20.716 10.516 1.00 0.00 C ATOM 0 H MET A 13 5.406 20.797 5.188 1.00 0.00 H new ATOM 0 HA MET A 13 6.369 18.220 5.831 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.050 20.421 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.499 20.494 7.661 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.040 18.378 8.861 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.601 18.336 8.065 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.284 21.257 11.423 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.499 21.391 9.831 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.351 19.888 10.772 1.00 0.00 H new ATOM 211 N LYS A 14 3.292 18.888 6.833 1.00 0.00 N ATOM 212 CA LYS A 14 2.057 18.258 7.319 1.00 0.00 C ATOM 213 C LYS A 14 1.602 17.151 6.380 1.00 0.00 C ATOM 214 O LYS A 14 1.250 16.062 6.823 1.00 0.00 O ATOM 215 CB LYS A 14 0.935 19.287 7.431 1.00 0.00 C ATOM 216 CG LYS A 14 1.060 20.233 8.626 1.00 0.00 C ATOM 217 CD LYS A 14 0.087 21.408 8.496 1.00 0.00 C ATOM 218 CE LYS A 14 -1.380 20.973 8.618 1.00 0.00 C ATOM 219 NZ LYS A 14 -2.291 22.044 8.092 1.00 0.00 N ATOM 0 H LYS A 14 3.202 19.878 6.605 1.00 0.00 H new ATOM 0 HA LYS A 14 2.274 17.837 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.909 19.879 6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.018 18.762 7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.858 19.689 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.082 20.607 8.694 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.309 22.146 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.239 21.896 7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.539 20.048 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.618 20.765 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.138 21.606 7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.573 22.673 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.794 22.596 7.364 1.00 0.00 H new ATOM 233 N LYS A 15 1.607 17.425 5.085 1.00 0.00 N ATOM 234 CA LYS A 15 1.189 16.431 4.107 1.00 0.00 C ATOM 235 C LYS A 15 2.180 15.281 4.109 1.00 0.00 C ATOM 236 O LYS A 15 1.789 14.129 4.144 1.00 0.00 O ATOM 237 CB LYS A 15 1.062 17.062 2.714 1.00 0.00 C ATOM 238 CG LYS A 15 0.445 16.115 1.715 1.00 0.00 C ATOM 239 CD LYS A 15 -0.196 16.827 0.535 1.00 0.00 C ATOM 240 CE LYS A 15 -0.788 15.820 -0.466 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.804 14.881 0.132 1.00 0.00 N ATOM 0 H LYS A 15 1.893 18.320 4.688 1.00 0.00 H new ATOM 0 HA LYS A 15 0.206 16.045 4.376 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.455 17.965 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.048 17.366 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.212 15.434 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.307 15.507 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.981 17.494 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.547 17.448 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.254 16.369 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.023 15.233 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.467 14.570 -0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.318 14.053 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.329 15.371 0.884 1.00 0.00 H new ATOM 255 N MET A 16 3.465 15.596 4.107 1.00 0.00 N ATOM 256 CA MET A 16 4.502 14.574 4.125 1.00 0.00 C ATOM 257 C MET A 16 4.375 13.663 5.335 1.00 0.00 C ATOM 258 O MET A 16 4.476 12.455 5.188 1.00 0.00 O ATOM 259 CB MET A 16 5.900 15.205 4.099 1.00 0.00 C ATOM 260 CG MET A 16 7.032 14.175 4.131 1.00 0.00 C ATOM 261 SD MET A 16 8.673 14.905 3.957 1.00 0.00 S ATOM 262 CE MET A 16 8.844 15.821 5.510 1.00 0.00 C ATOM 0 H MET A 16 3.817 16.553 4.093 1.00 0.00 H new ATOM 0 HA MET A 16 4.367 13.972 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.999 15.815 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 16 6.004 15.875 4.952 1.00 0.00 H new ATOM 0 HG2 MET A 16 6.985 13.625 5.071 1.00 0.00 H new ATOM 0 HG3 MET A 16 6.878 13.452 3.330 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.857 16.216 5.590 1.00 0.00 H new ATOM 0 HE2 MET A 16 8.131 16.645 5.527 1.00 0.00 H new ATOM 0 HE3 MET A 16 8.648 15.154 6.349 1.00 0.00 H new ATOM 272 N MET A 17 4.148 14.200 6.528 1.00 0.00 N ATOM 273 CA MET A 17 4.025 13.315 7.691 1.00 0.00 C ATOM 274 C MET A 17 2.751 12.467 7.610 1.00 0.00 C ATOM 275 O MET A 17 2.759 11.308 8.013 1.00 0.00 O ATOM 276 CB MET A 17 4.110 14.078 9.026 1.00 0.00 C ATOM 277 CG MET A 17 2.924 14.978 9.351 1.00 0.00 C ATOM 278 SD MET A 17 3.075 15.779 10.966 1.00 0.00 S ATOM 279 CE MET A 17 4.332 17.015 10.652 1.00 0.00 C ATOM 0 H MET A 17 4.048 15.197 6.718 1.00 0.00 H new ATOM 0 HA MET A 17 4.881 12.640 7.665 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.223 13.352 9.831 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.013 14.688 9.018 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.831 15.742 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.008 14.387 9.327 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.434 17.660 11.524 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.284 16.523 10.452 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.045 17.615 9.788 1.00 0.00 H new ATOM 289 N LYS A 18 1.663 13.018 7.080 1.00 0.00 N ATOM 290 CA LYS A 18 0.419 12.253 6.977 1.00 0.00 C ATOM 291 C LYS A 18 0.495 11.205 5.886 1.00 0.00 C ATOM 292 O LYS A 18 0.051 10.084 6.066 1.00 0.00 O ATOM 293 CB LYS A 18 -0.773 13.179 6.713 1.00 0.00 C ATOM 294 CG LYS A 18 -1.598 13.460 7.965 1.00 0.00 C ATOM 295 CD LYS A 18 -2.360 12.204 8.420 1.00 0.00 C ATOM 296 CE LYS A 18 -3.097 12.439 9.729 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.733 11.161 10.200 1.00 0.00 N ATOM 0 H LYS A 18 1.613 13.971 6.721 1.00 0.00 H new ATOM 0 HA LYS A 18 0.277 11.748 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.410 14.122 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.415 12.729 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.943 13.802 8.766 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.305 14.265 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.072 11.911 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.660 11.377 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.404 12.809 10.484 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.860 13.206 9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.072 11.281 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.535 10.924 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.033 10.393 10.169 1.00 0.00 H new ATOM 311 N ASP A 19 1.067 11.553 4.755 1.00 0.00 N ATOM 312 CA ASP A 19 1.189 10.594 3.671 1.00 0.00 C ATOM 313 C ASP A 19 2.294 9.577 3.975 1.00 0.00 C ATOM 314 O ASP A 19 2.347 8.527 3.366 1.00 0.00 O ATOM 315 CB ASP A 19 1.367 11.315 2.337 1.00 0.00 C ATOM 316 CG ASP A 19 0.049 11.904 1.832 1.00 0.00 C ATOM 317 OD1 ASP A 19 -0.934 11.146 1.751 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.015 13.114 1.527 1.00 0.00 O ATOM 0 H ASP A 19 1.451 12.478 4.559 1.00 0.00 H new ATOM 0 HA ASP A 19 0.266 10.020 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.102 12.112 2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.762 10.619 1.597 1.00 0.00 H new ATOM 323 N LEU A 20 3.159 9.849 4.947 1.00 0.00 N ATOM 324 CA LEU A 20 4.110 8.822 5.392 1.00 0.00 C ATOM 325 C LEU A 20 3.446 7.872 6.377 1.00 0.00 C ATOM 326 O LEU A 20 3.863 6.724 6.509 1.00 0.00 O ATOM 327 CB LEU A 20 5.373 9.413 6.018 1.00 0.00 C ATOM 328 CG LEU A 20 6.489 9.714 5.008 1.00 0.00 C ATOM 329 CD1 LEU A 20 7.705 10.282 5.724 1.00 0.00 C ATOM 330 CD2 LEU A 20 6.898 8.443 4.204 1.00 0.00 C ATOM 0 H LEU A 20 3.226 10.743 5.433 1.00 0.00 H new ATOM 0 HA LEU A 20 4.415 8.276 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.111 10.334 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.753 8.719 6.768 1.00 0.00 H new ATOM 0 HG LEU A 20 6.103 10.449 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.490 10.492 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.428 11.204 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.069 9.558 6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.690 8.697 3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.256 7.677 4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.034 8.065 3.657 1.00 0.00 H new ATOM 342 N GLU A 21 2.399 8.330 7.045 1.00 0.00 N ATOM 343 CA GLU A 21 1.590 7.450 7.887 1.00 0.00 C ATOM 344 C GLU A 21 0.941 6.475 6.896 1.00 0.00 C ATOM 345 O GLU A 21 0.866 5.268 7.125 1.00 0.00 O ATOM 346 CB GLU A 21 0.542 8.276 8.647 1.00 0.00 C ATOM 347 CG GLU A 21 -0.187 7.563 9.765 1.00 0.00 C ATOM 348 CD GLU A 21 -1.208 8.491 10.422 1.00 0.00 C ATOM 349 OE1 GLU A 21 -1.108 8.755 11.636 1.00 0.00 O ATOM 350 OE2 GLU A 21 -2.118 8.975 9.709 1.00 0.00 O ATOM 0 H GLU A 21 2.087 9.301 7.024 1.00 0.00 H new ATOM 0 HA GLU A 21 2.167 6.923 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.035 9.154 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.197 8.635 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.691 6.680 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.529 7.217 10.510 1.00 0.00 H new ATOM 357 N GLY A 22 0.518 7.020 5.761 1.00 0.00 N ATOM 358 CA GLY A 22 -0.027 6.206 4.686 1.00 0.00 C ATOM 359 C GLY A 22 1.016 5.302 4.048 1.00 0.00 C ATOM 360 O GLY A 22 0.702 4.213 3.595 1.00 0.00 O ATOM 0 H GLY A 22 0.543 8.020 5.564 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.842 5.595 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.453 6.857 3.923 1.00 0.00 H new ATOM 364 N LEU A 23 2.271 5.725 4.012 1.00 0.00 N ATOM 365 CA LEU A 23 3.314 4.888 3.418 1.00 0.00 C ATOM 366 C LEU A 23 3.540 3.710 4.365 1.00 0.00 C ATOM 367 O LEU A 23 3.811 2.592 3.946 1.00 0.00 O ATOM 368 CB LEU A 23 4.593 5.688 3.148 1.00 0.00 C ATOM 369 CG LEU A 23 5.329 5.256 1.861 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.285 6.340 1.369 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.113 3.958 2.069 1.00 0.00 C ATOM 0 H LEU A 23 2.592 6.622 4.377 1.00 0.00 H new ATOM 0 HA LEU A 23 3.004 4.516 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.342 6.746 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.267 5.578 3.997 1.00 0.00 H new ATOM 0 HG LEU A 23 4.559 5.091 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.785 6.000 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.724 7.250 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.030 6.545 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.618 3.685 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.853 4.102 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.427 3.161 2.357 1.00 0.00 H new ATOM 383 N HIS A 24 3.382 3.949 5.659 1.00 0.00 N ATOM 384 CA HIS A 24 3.431 2.851 6.616 1.00 0.00 C ATOM 385 C HIS A 24 2.165 2.019 6.487 1.00 0.00 C ATOM 386 O HIS A 24 2.196 0.836 6.763 1.00 0.00 O ATOM 387 CB HIS A 24 3.632 3.340 8.043 1.00 0.00 C ATOM 388 CG HIS A 24 5.050 3.715 8.337 1.00 0.00 C ATOM 389 ND1 HIS A 24 6.088 2.780 8.422 1.00 0.00 N ATOM 390 CD2 HIS A 24 5.649 4.915 8.547 1.00 0.00 C ATOM 391 CE1 HIS A 24 7.219 3.419 8.675 1.00 0.00 C ATOM 392 NE2 HIS A 24 6.978 4.702 8.758 1.00 0.00 N ATOM 0 H HIS A 24 3.222 4.871 6.065 1.00 0.00 H new ATOM 0 HA HIS A 24 4.296 2.229 6.385 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.990 4.203 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.317 2.560 8.736 1.00 0.00 H new ATOM 0 HD1 HIS A 24 5.989 1.771 8.308 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.156 5.876 8.547 1.00 0.00 H new ATOM 0 HE1 HIS A 24 8.187 2.955 8.794 1.00 0.00 H new ATOM 400 N ARG A 25 1.061 2.596 6.028 1.00 0.00 N ATOM 401 CA ARG A 25 -0.101 1.761 5.712 1.00 0.00 C ATOM 402 C ARG A 25 0.235 0.895 4.491 1.00 0.00 C ATOM 403 O ARG A 25 -0.193 -0.234 4.434 1.00 0.00 O ATOM 404 CB ARG A 25 -1.388 2.559 5.471 1.00 0.00 C ATOM 405 CG ARG A 25 -2.593 1.628 5.308 1.00 0.00 C ATOM 406 CD ARG A 25 -3.895 2.343 5.049 1.00 0.00 C ATOM 407 NE ARG A 25 -4.940 1.343 4.759 1.00 0.00 N ATOM 408 CZ ARG A 25 -6.213 1.606 4.490 1.00 0.00 C ATOM 409 NH1 ARG A 25 -6.686 2.829 4.474 1.00 0.00 N ATOM 410 NH2 ARG A 25 -7.021 0.616 4.221 1.00 0.00 N ATOM 0 H ARG A 25 0.942 3.597 5.870 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.305 1.139 6.584 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.560 3.238 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.276 3.174 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.398 0.941 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.696 1.024 6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.176 2.941 5.916 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.787 3.030 4.210 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.659 0.362 4.766 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.069 3.617 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.670 2.992 4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.671 -0.342 4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.002 0.801 4.012 1.00 0.00 H new ATOM 424 N ALA A 26 1.014 1.393 3.537 1.00 0.00 N ATOM 425 CA ALA A 26 1.433 0.561 2.398 1.00 0.00 C ATOM 426 C ALA A 26 2.335 -0.597 2.880 1.00 0.00 C ATOM 427 O ALA A 26 2.309 -1.700 2.350 1.00 0.00 O ATOM 428 CB ALA A 26 2.160 1.414 1.345 1.00 0.00 C ATOM 0 H ALA A 26 1.367 2.350 3.521 1.00 0.00 H new ATOM 0 HA ALA A 26 0.543 0.134 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.462 0.782 0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.491 2.195 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.043 1.870 1.793 1.00 0.00 H new ATOM 434 N GLU A 27 3.128 -0.335 3.907 1.00 0.00 N ATOM 435 CA GLU A 27 3.964 -1.368 4.528 1.00 0.00 C ATOM 436 C GLU A 27 3.030 -2.423 5.170 1.00 0.00 C ATOM 437 O GLU A 27 3.154 -3.656 4.977 1.00 0.00 O ATOM 438 CB GLU A 27 4.851 -0.672 5.569 1.00 0.00 C ATOM 439 CG GLU A 27 6.044 -1.430 6.084 1.00 0.00 C ATOM 440 CD GLU A 27 6.909 -0.514 6.953 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.114 -0.358 6.667 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.366 0.084 7.919 1.00 0.00 O ATOM 0 H GLU A 27 3.215 0.587 4.335 1.00 0.00 H new ATOM 0 HA GLU A 27 4.603 -1.880 3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.208 0.262 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.225 -0.410 6.422 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.715 -2.292 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.630 -1.813 5.249 1.00 0.00 H new ATOM 449 N GLN A 28 2.058 -1.920 5.914 1.00 0.00 N ATOM 450 CA GLN A 28 1.061 -2.775 6.528 1.00 0.00 C ATOM 451 C GLN A 28 0.281 -3.523 5.461 1.00 0.00 C ATOM 452 O GLN A 28 -0.103 -4.634 5.700 1.00 0.00 O ATOM 453 CB GLN A 28 0.093 -1.968 7.393 1.00 0.00 C ATOM 454 CG GLN A 28 0.707 -1.456 8.684 1.00 0.00 C ATOM 455 CD GLN A 28 -0.263 -0.610 9.478 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.678 0.456 9.048 1.00 0.00 O ATOM 457 NE2 GLN A 28 -0.630 -1.082 10.641 1.00 0.00 N ATOM 0 H GLN A 28 1.940 -0.925 6.106 1.00 0.00 H new ATOM 0 HA GLN A 28 1.584 -3.487 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.276 -1.120 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.770 -2.589 7.633 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.031 -2.301 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.596 -0.869 8.454 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -0.263 -1.976 10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.283 -0.556 11.222 1.00 0.00 H new ATOM 466 N SER A 29 0.051 -2.938 4.293 1.00 0.00 N ATOM 467 CA SER A 29 -0.692 -3.629 3.242 1.00 0.00 C ATOM 468 C SER A 29 0.126 -4.786 2.685 1.00 0.00 C ATOM 469 O SER A 29 -0.426 -5.837 2.455 1.00 0.00 O ATOM 470 CB SER A 29 -1.145 -2.674 2.126 1.00 0.00 C ATOM 471 OG SER A 29 -0.063 -2.168 1.370 1.00 0.00 O ATOM 0 H SER A 29 0.363 -1.998 4.049 1.00 0.00 H new ATOM 0 HA SER A 29 -1.599 -4.033 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.833 -3.197 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.696 -1.843 2.566 1.00 0.00 H new ATOM 0 HG SER A 29 0.773 -2.310 1.860 1.00 0.00 H new ATOM 477 N LEU A 30 1.431 -4.616 2.492 1.00 0.00 N ATOM 478 CA LEU A 30 2.299 -5.722 2.036 1.00 0.00 C ATOM 479 C LEU A 30 2.246 -6.825 3.112 1.00 0.00 C ATOM 480 O LEU A 30 2.052 -8.030 2.805 1.00 0.00 O ATOM 481 CB LEU A 30 3.731 -5.192 1.754 1.00 0.00 C ATOM 482 CG LEU A 30 4.898 -5.225 2.770 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.663 -6.523 2.743 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.872 -4.074 2.485 1.00 0.00 C ATOM 0 H LEU A 30 1.918 -3.732 2.640 1.00 0.00 H new ATOM 0 HA LEU A 30 1.956 -6.149 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.083 -5.730 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.614 -4.148 1.464 1.00 0.00 H new ATOM 0 HG LEU A 30 4.451 -5.122 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.468 -6.486 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.991 -7.347 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.084 -6.677 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.691 -4.104 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.271 -4.177 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.347 -3.123 2.572 1.00 0.00 H new ATOM 496 N HIS A 31 2.385 -6.436 4.376 1.00 0.00 N ATOM 497 CA HIS A 31 2.353 -7.446 5.435 1.00 0.00 C ATOM 498 C HIS A 31 0.968 -8.087 5.627 1.00 0.00 C ATOM 499 O HIS A 31 0.871 -9.287 5.873 1.00 0.00 O ATOM 500 CB HIS A 31 2.908 -6.884 6.731 1.00 0.00 C ATOM 501 CG HIS A 31 4.378 -6.604 6.663 1.00 0.00 C ATOM 502 ND1 HIS A 31 5.311 -7.480 6.153 1.00 0.00 N ATOM 503 CD2 HIS A 31 5.093 -5.508 7.041 1.00 0.00 C ATOM 504 CE1 HIS A 31 6.509 -6.916 6.260 1.00 0.00 C ATOM 505 NE2 HIS A 31 6.438 -5.713 6.792 1.00 0.00 N ATOM 0 H HIS A 31 2.516 -5.473 4.686 1.00 0.00 H new ATOM 0 HA HIS A 31 3.002 -8.260 5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.379 -5.963 6.978 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.715 -7.589 7.539 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.116 -8.401 5.761 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.672 -4.611 7.471 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.430 -7.387 5.949 1.00 0.00 H new ATOM 513 N ASP A 32 -0.097 -7.319 5.482 1.00 0.00 N ATOM 514 CA ASP A 32 -1.449 -7.870 5.551 1.00 0.00 C ATOM 515 C ASP A 32 -1.637 -8.797 4.371 1.00 0.00 C ATOM 516 O ASP A 32 -2.257 -9.838 4.493 1.00 0.00 O ATOM 517 CB ASP A 32 -2.521 -6.776 5.465 1.00 0.00 C ATOM 518 CG ASP A 32 -3.127 -6.431 6.815 1.00 0.00 C ATOM 519 OD1 ASP A 32 -3.352 -5.235 7.092 1.00 0.00 O ATOM 520 OD2 ASP A 32 -3.425 -7.363 7.596 1.00 0.00 O ATOM 0 H ASP A 32 -0.058 -6.313 5.316 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.559 -8.385 6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.082 -5.878 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.312 -7.103 4.791 1.00 0.00 H new ATOM 525 N LEU A 33 -1.093 -8.425 3.222 1.00 0.00 N ATOM 526 CA LEU A 33 -1.219 -9.247 2.032 1.00 0.00 C ATOM 527 C LEU A 33 -0.581 -10.602 2.293 1.00 0.00 C ATOM 528 O LEU A 33 -1.241 -11.624 2.090 1.00 0.00 O ATOM 529 CB LEU A 33 -0.606 -8.554 0.803 1.00 0.00 C ATOM 530 CG LEU A 33 -1.602 -7.661 0.039 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.873 -6.563 -0.756 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.470 -8.514 -0.905 1.00 0.00 C ATOM 0 H LEU A 33 -0.563 -7.563 3.090 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.275 -9.393 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.241 -7.948 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.217 -9.313 0.125 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.246 -7.175 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.604 -5.950 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.301 -5.937 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.197 -7.023 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.169 -7.870 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.830 -9.028 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.026 -9.249 -0.323 1.00 0.00 H new ATOM 544 N GLN A 34 0.662 -10.656 2.765 1.00 0.00 N ATOM 545 CA GLN A 34 1.239 -11.994 3.033 1.00 0.00 C ATOM 546 C GLN A 34 0.574 -12.731 4.206 1.00 0.00 C ATOM 547 O GLN A 34 0.307 -13.938 4.108 1.00 0.00 O ATOM 548 CB GLN A 34 2.761 -11.982 3.254 1.00 0.00 C ATOM 549 CG GLN A 34 3.289 -10.870 4.159 1.00 0.00 C ATOM 550 CD GLN A 34 4.387 -10.022 3.539 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.237 -9.493 4.259 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.380 -9.875 2.232 1.00 0.00 N ATOM 0 H GLN A 34 1.264 -9.856 2.963 1.00 0.00 H new ATOM 0 HA GLN A 34 1.027 -12.540 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.056 -12.942 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.250 -11.899 2.283 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.459 -10.221 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.667 -11.316 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.659 -10.330 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.095 -9.307 1.779 1.00 0.00 H new ATOM 561 N GLU A 35 0.308 -12.055 5.317 1.00 0.00 N ATOM 562 CA GLU A 35 -0.258 -12.751 6.475 1.00 0.00 C ATOM 563 C GLU A 35 -1.684 -13.223 6.226 1.00 0.00 C ATOM 564 O GLU A 35 -2.053 -14.329 6.630 1.00 0.00 O ATOM 565 CB GLU A 35 -0.210 -11.888 7.737 1.00 0.00 C ATOM 566 CG GLU A 35 1.210 -11.722 8.282 1.00 0.00 C ATOM 567 CD GLU A 35 1.246 -11.146 9.695 1.00 0.00 C ATOM 568 OE1 GLU A 35 2.365 -10.926 10.210 1.00 0.00 O ATOM 569 OE2 GLU A 35 0.171 -10.928 10.296 1.00 0.00 O ATOM 0 H GLU A 35 0.468 -11.056 5.444 1.00 0.00 H new ATOM 0 HA GLU A 35 0.367 -13.630 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.628 -10.906 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.840 -12.338 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.710 -12.691 8.278 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.774 -11.070 7.616 1.00 0.00 H new ATOM 576 N ARG A 36 -2.498 -12.428 5.550 1.00 0.00 N ATOM 577 CA ARG A 36 -3.859 -12.866 5.258 1.00 0.00 C ATOM 578 C ARG A 36 -3.843 -13.895 4.139 1.00 0.00 C ATOM 579 O ARG A 36 -4.698 -14.758 4.122 1.00 0.00 O ATOM 580 CB ARG A 36 -4.785 -11.694 4.937 1.00 0.00 C ATOM 581 CG ARG A 36 -4.934 -10.708 6.101 1.00 0.00 C ATOM 582 CD ARG A 36 -6.021 -9.694 5.812 1.00 0.00 C ATOM 583 NE ARG A 36 -5.779 -8.424 6.509 1.00 0.00 N ATOM 584 CZ ARG A 36 -6.579 -7.367 6.487 1.00 0.00 C ATOM 585 NH1 ARG A 36 -7.716 -7.361 5.830 1.00 0.00 N ATOM 586 NH2 ARG A 36 -6.224 -6.292 7.129 1.00 0.00 N ATOM 0 H ARG A 36 -2.253 -11.502 5.200 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.264 -13.335 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.400 -11.163 4.066 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.768 -12.079 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.171 -11.251 7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.988 -10.195 6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.075 -9.515 4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.986 -10.098 6.117 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.922 -8.349 7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.011 -8.189 5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.305 -6.528 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.341 -6.271 7.639 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.829 -5.471 7.122 1.00 0.00 H new ATOM 600 N LEU A 37 -2.870 -13.853 3.232 1.00 0.00 N ATOM 601 CA LEU A 37 -2.728 -14.931 2.235 1.00 0.00 C ATOM 602 C LEU A 37 -2.388 -16.211 2.994 1.00 0.00 C ATOM 603 O LEU A 37 -2.971 -17.277 2.748 1.00 0.00 O ATOM 604 CB LEU A 37 -1.621 -14.602 1.212 1.00 0.00 C ATOM 605 CG LEU A 37 -1.234 -15.613 0.106 1.00 0.00 C ATOM 606 CD1 LEU A 37 -0.244 -16.678 0.592 1.00 0.00 C ATOM 607 CD2 LEU A 37 -2.450 -16.289 -0.531 1.00 0.00 C ATOM 0 H LEU A 37 -2.179 -13.106 3.160 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.656 -15.047 1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.912 -13.678 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.715 -14.387 1.779 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.739 -15.013 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.010 -17.358 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.671 -16.195 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.688 -17.239 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.117 -16.987 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.008 -16.830 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.092 -15.532 -0.982 1.00 0.00 H new ATOM 619 N HIS A 38 -1.457 -16.108 3.935 1.00 0.00 N ATOM 620 CA HIS A 38 -1.070 -17.260 4.751 1.00 0.00 C ATOM 621 C HIS A 38 -2.299 -17.821 5.461 1.00 0.00 C ATOM 622 O HIS A 38 -2.503 -19.029 5.488 1.00 0.00 O ATOM 623 CB HIS A 38 0.002 -16.849 5.768 1.00 0.00 C ATOM 624 CG HIS A 38 0.543 -17.989 6.574 1.00 0.00 C ATOM 625 ND1 HIS A 38 -0.076 -18.493 7.724 1.00 0.00 N ATOM 626 CD2 HIS A 38 1.663 -18.744 6.430 1.00 0.00 C ATOM 627 CE1 HIS A 38 0.667 -19.477 8.211 1.00 0.00 C ATOM 628 NE2 HIS A 38 1.711 -19.646 7.447 1.00 0.00 N ATOM 0 H HIS A 38 -0.957 -15.246 4.154 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.652 -18.035 4.108 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.825 -16.368 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.419 -16.106 6.445 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -0.954 -18.158 8.122 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.393 -18.645 5.640 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.443 -20.048 9.100 1.00 0.00 H new ATOM 636 N LYS A 39 -3.126 -16.949 6.020 1.00 0.00 N ATOM 637 CA LYS A 39 -4.348 -17.387 6.697 1.00 0.00 C ATOM 638 C LYS A 39 -5.341 -17.999 5.708 1.00 0.00 C ATOM 639 O LYS A 39 -5.981 -19.007 6.006 1.00 0.00 O ATOM 640 CB LYS A 39 -4.998 -16.206 7.429 1.00 0.00 C ATOM 641 CG LYS A 39 -5.960 -16.632 8.534 1.00 0.00 C ATOM 642 CD LYS A 39 -5.205 -16.979 9.825 1.00 0.00 C ATOM 643 CE LYS A 39 -5.800 -18.199 10.515 1.00 0.00 C ATOM 644 NZ LYS A 39 -5.446 -19.447 9.776 1.00 0.00 N ATOM 0 H LYS A 39 -2.979 -15.940 6.021 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.075 -18.154 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.216 -15.581 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.536 -15.592 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.671 -15.829 8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.537 -17.496 8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.156 -17.167 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.234 -16.127 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.432 -18.260 11.539 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.884 -18.099 10.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.043 -20.230 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.603 -19.304 8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.446 -19.678 9.943 1.00 0.00 H new ATOM 658 N ALA A 40 -5.456 -17.393 4.532 1.00 0.00 N ATOM 659 CA ALA A 40 -6.349 -17.885 3.491 1.00 0.00 C ATOM 660 C ALA A 40 -5.901 -19.272 3.050 1.00 0.00 C ATOM 661 O ALA A 40 -6.729 -20.139 2.817 1.00 0.00 O ATOM 662 CB ALA A 40 -6.385 -16.914 2.300 1.00 0.00 C ATOM 0 H ALA A 40 -4.937 -16.553 4.275 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.360 -17.952 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.058 -17.301 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.740 -15.940 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.383 -16.812 1.884 1.00 0.00 H new ATOM 668 N GLN A 41 -4.602 -19.517 2.957 1.00 0.00 N ATOM 669 CA GLN A 41 -4.168 -20.884 2.723 1.00 0.00 C ATOM 670 C GLN A 41 -4.616 -21.771 3.897 1.00 0.00 C ATOM 671 O GLN A 41 -5.359 -22.727 3.705 1.00 0.00 O ATOM 672 CB GLN A 41 -2.652 -20.972 2.585 1.00 0.00 C ATOM 673 CG GLN A 41 -2.111 -20.371 1.313 1.00 0.00 C ATOM 674 CD GLN A 41 -0.632 -20.615 1.191 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.171 -20.022 1.894 1.00 0.00 O ATOM 676 NE2 GLN A 41 -0.261 -21.502 0.308 1.00 0.00 N ATOM 0 H GLN A 41 -3.860 -18.821 3.036 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.620 -21.226 1.792 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.191 -20.470 3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.354 -22.019 2.634 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.627 -20.801 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.309 -19.299 1.299 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.960 -21.978 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.728 -21.719 0.188 1.00 0.00 H new ATOM 685 N GLU A 42 -4.175 -21.441 5.102 1.00 0.00 N ATOM 686 CA GLU A 42 -4.442 -22.275 6.281 1.00 0.00 C ATOM 687 C GLU A 42 -5.894 -22.698 6.438 1.00 0.00 C ATOM 688 O GLU A 42 -6.163 -23.854 6.753 1.00 0.00 O ATOM 689 CB GLU A 42 -4.019 -21.540 7.548 1.00 0.00 C ATOM 690 CG GLU A 42 -2.523 -21.486 7.762 1.00 0.00 C ATOM 691 CD GLU A 42 -2.152 -20.613 8.947 1.00 0.00 C ATOM 692 OE1 GLU A 42 -2.628 -19.453 9.021 1.00 0.00 O ATOM 693 OE2 GLU A 42 -1.367 -21.067 9.801 1.00 0.00 O ATOM 0 H GLU A 42 -3.629 -20.602 5.297 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.859 -23.183 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.407 -20.522 7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.481 -22.026 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.142 -22.495 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.041 -21.102 6.863 1.00 0.00 H new ATOM 700 N GLU A 43 -6.827 -21.782 6.222 1.00 0.00 N ATOM 701 CA GLU A 43 -8.235 -22.133 6.359 1.00 0.00 C ATOM 702 C GLU A 43 -8.862 -22.613 5.045 1.00 0.00 C ATOM 703 O GLU A 43 -9.596 -23.597 5.023 1.00 0.00 O ATOM 704 CB GLU A 43 -9.035 -20.910 6.834 1.00 0.00 C ATOM 705 CG GLU A 43 -8.541 -20.274 8.136 1.00 0.00 C ATOM 706 CD GLU A 43 -8.539 -21.232 9.319 1.00 0.00 C ATOM 707 OE1 GLU A 43 -9.552 -21.915 9.558 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.503 -21.283 10.027 1.00 0.00 O ATOM 0 H GLU A 43 -6.644 -20.814 5.958 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.276 -22.948 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.014 -20.155 6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.076 -21.205 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.530 -19.894 7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.171 -19.417 8.374 1.00 0.00 H new ATOM 715 N HIS A 44 -8.612 -21.887 3.961 1.00 0.00 N ATOM 716 CA HIS A 44 -9.318 -22.141 2.692 1.00 0.00 C ATOM 717 C HIS A 44 -8.532 -22.926 1.667 1.00 0.00 C ATOM 718 O HIS A 44 -9.092 -23.710 0.916 1.00 0.00 O ATOM 719 CB HIS A 44 -9.765 -20.816 2.062 1.00 0.00 C ATOM 720 CG HIS A 44 -10.371 -19.859 3.040 1.00 0.00 C ATOM 721 ND1 HIS A 44 -11.503 -20.110 3.772 1.00 0.00 N ATOM 722 CD2 HIS A 44 -9.979 -18.611 3.413 1.00 0.00 C ATOM 723 CE1 HIS A 44 -11.745 -19.051 4.539 1.00 0.00 C ATOM 724 NE2 HIS A 44 -10.843 -18.106 4.364 1.00 0.00 N ATOM 0 H HIS A 44 -7.935 -21.124 3.926 1.00 0.00 H new ATOM 0 HA HIS A 44 -10.170 -22.763 2.967 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.906 -20.342 1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.489 -21.024 1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -9.117 -18.091 3.022 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.578 -18.975 5.222 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.794 -17.200 4.829 1.00 0.00 H new ATOM 732 N ARG A 45 -7.229 -22.660 1.646 1.00 0.00 N ATOM 733 CA ARG A 45 -6.232 -23.225 0.699 1.00 0.00 C ATOM 734 C ARG A 45 -6.245 -22.456 -0.616 1.00 0.00 C ATOM 735 O ARG A 45 -5.385 -22.671 -1.457 1.00 0.00 O ATOM 736 CB ARG A 45 -6.375 -24.743 0.496 1.00 0.00 C ATOM 737 CG ARG A 45 -6.402 -25.521 1.817 1.00 0.00 C ATOM 738 CD ARG A 45 -7.045 -26.875 1.660 1.00 0.00 C ATOM 739 NE ARG A 45 -7.591 -27.314 2.951 1.00 0.00 N ATOM 740 CZ ARG A 45 -8.238 -28.452 3.164 1.00 0.00 C ATOM 741 NH1 ARG A 45 -8.428 -29.339 2.220 1.00 0.00 N ATOM 742 NH2 ARG A 45 -8.702 -28.700 4.357 1.00 0.00 N ATOM 0 H ARG A 45 -6.805 -22.016 2.314 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.250 -23.095 1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.291 -24.946 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.547 -25.103 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.384 -25.643 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.946 -24.946 2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.839 -26.827 0.915 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.312 -27.597 1.299 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.462 -26.692 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.073 -29.167 1.279 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.931 -30.202 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.565 -28.024 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.202 -29.570 4.539 1.00 0.00 H new ATOM 756 N THR A 46 -7.201 -21.534 -0.730 1.00 0.00 N ATOM 757 CA THR A 46 -7.357 -20.582 -1.851 1.00 0.00 C ATOM 758 C THR A 46 -7.686 -21.197 -3.212 1.00 0.00 C ATOM 759 O THR A 46 -7.487 -22.387 -3.446 1.00 0.00 O ATOM 760 CB THR A 46 -6.103 -19.657 -2.030 1.00 0.00 C ATOM 761 OG1 THR A 46 -5.063 -20.368 -2.702 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.559 -19.172 -0.693 1.00 0.00 C ATOM 0 H THR A 46 -7.923 -21.418 -0.018 1.00 0.00 H new ATOM 0 HA THR A 46 -8.228 -20.006 -1.540 1.00 0.00 H new ATOM 0 HB THR A 46 -6.424 -18.795 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.804 -21.149 -2.170 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.691 -18.535 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.329 -18.604 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.266 -20.029 -0.087 1.00 0.00 H new ATOM 770 N VAL A 47 -8.184 -20.368 -4.126 1.00 0.00 N ATOM 771 CA VAL A 47 -8.495 -20.824 -5.487 1.00 0.00 C ATOM 772 C VAL A 47 -7.175 -21.198 -6.166 1.00 0.00 C ATOM 773 O VAL A 47 -7.124 -22.003 -7.100 1.00 0.00 O ATOM 774 CB VAL A 47 -9.302 -19.737 -6.293 1.00 0.00 C ATOM 775 CG1 VAL A 47 -8.443 -18.524 -6.651 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.925 -20.348 -7.554 1.00 0.00 C ATOM 0 H VAL A 47 -8.381 -19.382 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.145 -21.698 -5.454 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.101 -19.384 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.044 -17.803 -7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.071 -18.060 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.601 -18.843 -7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.478 -19.580 -8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.137 -20.746 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.604 -21.152 -7.271 1.00 0.00 H new ATOM 786 N GLU A 48 -6.093 -20.627 -5.662 1.00 0.00 N ATOM 787 CA GLU A 48 -4.761 -20.923 -6.139 1.00 0.00 C ATOM 788 C GLU A 48 -4.149 -22.092 -5.350 1.00 0.00 C ATOM 789 O GLU A 48 -2.962 -22.087 -5.068 1.00 0.00 O ATOM 790 CB GLU A 48 -3.871 -19.680 -6.004 1.00 0.00 C ATOM 791 CG GLU A 48 -4.351 -18.464 -6.792 1.00 0.00 C ATOM 792 CD GLU A 48 -5.233 -17.504 -5.988 1.00 0.00 C ATOM 793 OE1 GLU A 48 -5.594 -17.792 -4.819 1.00 0.00 O ATOM 794 OE2 GLU A 48 -5.556 -16.440 -6.538 1.00 0.00 O ATOM 0 H GLU A 48 -6.119 -19.942 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.825 -21.210 -7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.805 -19.410 -4.950 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.863 -19.934 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.483 -17.919 -7.162 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.907 -18.807 -7.664 1.00 0.00 H new ATOM 801 N VAL A 49 -4.953 -23.093 -5.006 1.00 0.00 N ATOM 802 CA VAL A 49 -4.487 -24.276 -4.247 1.00 0.00 C ATOM 803 C VAL A 49 -3.113 -24.817 -4.663 1.00 0.00 C ATOM 804 O VAL A 49 -2.229 -25.015 -3.833 1.00 0.00 O ATOM 805 CB VAL A 49 -5.497 -25.469 -4.371 1.00 0.00 C ATOM 806 CG1 VAL A 49 -6.265 -25.660 -3.072 1.00 0.00 C ATOM 807 CG2 VAL A 49 -6.489 -25.257 -5.547 1.00 0.00 C ATOM 0 H VAL A 49 -5.946 -23.119 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.412 -23.904 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.915 -26.368 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.960 -26.493 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.565 -25.873 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.820 -24.751 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.174 -26.103 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.057 -24.341 -5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.934 -25.178 -6.482 1.00 0.00 H new ATOM 817 N GLU A 50 -2.938 -25.043 -5.956 1.00 0.00 N ATOM 818 CA GLU A 50 -1.680 -25.561 -6.506 1.00 0.00 C ATOM 819 C GLU A 50 -0.951 -24.450 -7.273 1.00 0.00 C ATOM 820 O GLU A 50 0.065 -24.680 -7.923 1.00 0.00 O ATOM 821 CB GLU A 50 -1.998 -26.738 -7.451 1.00 0.00 C ATOM 822 CG GLU A 50 -2.786 -26.308 -8.692 1.00 0.00 C ATOM 823 CD GLU A 50 -3.251 -27.451 -9.575 1.00 0.00 C ATOM 824 OE1 GLU A 50 -2.962 -28.627 -9.284 1.00 0.00 O ATOM 825 OE2 GLU A 50 -3.936 -27.142 -10.583 1.00 0.00 O ATOM 0 H GLU A 50 -3.658 -24.875 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.035 -25.905 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.066 -27.209 -7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.569 -27.491 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.657 -25.736 -8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.165 -25.638 -9.286 1.00 0.00 H new ATOM 832 N LYS A 51 -1.501 -23.242 -7.211 1.00 0.00 N ATOM 833 CA LYS A 51 -1.037 -22.120 -8.043 1.00 0.00 C ATOM 834 C LYS A 51 -0.630 -20.889 -7.248 1.00 0.00 C ATOM 835 O LYS A 51 -0.417 -19.829 -7.829 1.00 0.00 O ATOM 836 CB LYS A 51 -2.154 -21.731 -9.031 1.00 0.00 C ATOM 837 CG LYS A 51 -2.689 -22.924 -9.803 1.00 0.00 C ATOM 838 CD LYS A 51 -3.841 -22.616 -10.727 1.00 0.00 C ATOM 839 CE LYS A 51 -4.371 -23.947 -11.273 1.00 0.00 C ATOM 840 NZ LYS A 51 -5.597 -23.810 -12.113 1.00 0.00 N ATOM 0 H LYS A 51 -2.275 -23.006 -6.590 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.143 -22.467 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.971 -21.260 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.772 -20.990 -9.733 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.876 -23.353 -10.389 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.006 -23.686 -9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.627 -22.082 -10.193 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.515 -21.971 -11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.589 -24.423 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.588 -24.611 -10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.896 -24.749 -12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.359 -23.384 -11.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.391 -23.202 -12.931 1.00 0.00 H new ATOM 854 N VAL A 52 -0.531 -21.017 -5.932 1.00 0.00 N ATOM 855 CA VAL A 52 -0.180 -19.879 -5.074 1.00 0.00 C ATOM 856 C VAL A 52 1.176 -19.301 -5.456 1.00 0.00 C ATOM 857 O VAL A 52 1.340 -18.093 -5.442 1.00 0.00 O ATOM 858 CB VAL A 52 -0.151 -20.253 -3.548 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.456 -19.801 -2.832 1.00 0.00 C ATOM 860 CG2 VAL A 52 0.077 -21.773 -3.346 1.00 0.00 C ATOM 0 H VAL A 52 -0.687 -21.892 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.963 -19.138 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 52 0.687 -19.720 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.406 -20.074 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.565 -18.720 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.313 -20.292 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.092 -22.000 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.730 -22.329 -3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.029 -22.060 -3.792 1.00 0.00 H new ATOM 870 N HIS A 53 2.132 -20.166 -5.805 1.00 0.00 N ATOM 871 CA HIS A 53 3.487 -19.734 -6.197 1.00 0.00 C ATOM 872 C HIS A 53 4.009 -18.686 -5.211 1.00 0.00 C ATOM 873 O HIS A 53 4.373 -17.594 -5.613 1.00 0.00 O ATOM 874 CB HIS A 53 3.492 -19.147 -7.620 1.00 0.00 C ATOM 875 CG HIS A 53 3.214 -20.153 -8.692 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.974 -20.408 -9.212 1.00 0.00 N ATOM 877 CD2 HIS A 53 4.057 -20.977 -9.372 1.00 0.00 C ATOM 878 CE1 HIS A 53 2.096 -21.346 -10.146 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.348 -21.727 -10.289 1.00 0.00 N ATOM 0 H HIS A 53 1.997 -21.177 -5.826 1.00 0.00 H new ATOM 0 HA HIS A 53 4.137 -20.609 -6.181 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.747 -18.354 -7.678 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.462 -18.687 -7.809 1.00 0.00 H new ATOM 0 HD1 HIS A 53 1.104 -19.955 -8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.124 -21.036 -9.217 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.271 -21.746 -10.717 1.00 0.00 H new ATOM 887 N LEU A 54 4.016 -19.031 -3.926 1.00 0.00 N ATOM 888 CA LEU A 54 4.362 -18.106 -2.828 1.00 0.00 C ATOM 889 C LEU A 54 5.387 -17.006 -3.119 1.00 0.00 C ATOM 890 O LEU A 54 5.118 -15.848 -2.860 1.00 0.00 O ATOM 891 CB LEU A 54 4.849 -18.913 -1.613 1.00 0.00 C ATOM 892 CG LEU A 54 3.910 -19.022 -0.398 1.00 0.00 C ATOM 893 CD1 LEU A 54 3.677 -17.663 0.259 1.00 0.00 C ATOM 894 CD2 LEU A 54 2.574 -19.646 -0.775 1.00 0.00 C ATOM 0 H LEU A 54 3.780 -19.970 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 54 3.430 -17.569 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.076 -19.924 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.786 -18.473 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 54 4.408 -19.674 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.009 -17.781 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.629 -17.254 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.226 -16.982 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.938 -19.706 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.086 -19.032 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.739 -20.648 -1.172 1.00 0.00 H new ATOM 906 N GLU A 55 6.548 -17.351 -3.660 1.00 0.00 N ATOM 907 CA GLU A 55 7.574 -16.340 -3.941 1.00 0.00 C ATOM 908 C GLU A 55 7.073 -15.295 -4.949 1.00 0.00 C ATOM 909 O GLU A 55 7.251 -14.092 -4.759 1.00 0.00 O ATOM 910 CB GLU A 55 8.832 -17.014 -4.490 1.00 0.00 C ATOM 911 CG GLU A 55 10.011 -16.065 -4.626 1.00 0.00 C ATOM 912 CD GLU A 55 11.178 -16.692 -5.364 1.00 0.00 C ATOM 913 OE1 GLU A 55 12.279 -16.770 -4.787 1.00 0.00 O ATOM 914 OE2 GLU A 55 11.001 -17.083 -6.538 1.00 0.00 O ATOM 0 H GLU A 55 6.806 -18.305 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 55 7.804 -15.830 -3.006 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.111 -17.837 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.608 -17.447 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.691 -15.167 -5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.338 -15.752 -3.634 1.00 0.00 H new ATOM 921 N LYS A 56 6.436 -15.757 -6.016 1.00 0.00 N ATOM 922 CA LYS A 56 5.900 -14.865 -7.043 1.00 0.00 C ATOM 923 C LYS A 56 4.758 -14.051 -6.462 1.00 0.00 C ATOM 924 O LYS A 56 4.671 -12.859 -6.703 1.00 0.00 O ATOM 925 CB LYS A 56 5.391 -15.668 -8.246 1.00 0.00 C ATOM 926 CG LYS A 56 4.842 -14.799 -9.374 1.00 0.00 C ATOM 927 CD LYS A 56 4.246 -15.650 -10.486 1.00 0.00 C ATOM 928 CE LYS A 56 3.674 -14.777 -11.607 1.00 0.00 C ATOM 929 NZ LYS A 56 2.499 -13.957 -11.146 1.00 0.00 N ATOM 0 H LYS A 56 6.276 -16.748 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 56 6.697 -14.201 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.205 -16.280 -8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.610 -16.351 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.080 -14.126 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.640 -14.176 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.012 -16.311 -10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.459 -16.285 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.453 -14.113 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.368 -15.411 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.942 -13.654 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.902 -14.530 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.840 -13.120 -10.632 1.00 0.00 H new ATOM 943 N LYS A 57 3.891 -14.691 -5.689 1.00 0.00 N ATOM 944 CA LYS A 57 2.754 -13.989 -5.092 1.00 0.00 C ATOM 945 C LYS A 57 3.252 -12.874 -4.192 1.00 0.00 C ATOM 946 O LYS A 57 2.741 -11.769 -4.247 1.00 0.00 O ATOM 947 CB LYS A 57 1.867 -14.954 -4.303 1.00 0.00 C ATOM 948 CG LYS A 57 0.396 -14.978 -4.778 1.00 0.00 C ATOM 949 CD LYS A 57 -0.379 -13.672 -4.489 1.00 0.00 C ATOM 950 CE LYS A 57 -0.575 -13.475 -2.995 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.438 -12.298 -2.658 1.00 0.00 N ATOM 0 H LYS A 57 3.948 -15.683 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 57 2.153 -13.560 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.281 -15.959 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.894 -14.679 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.374 -15.172 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.118 -15.808 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.165 -12.823 -4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.349 -13.703 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.021 -14.376 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.399 -13.349 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.127 -11.886 -1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.360 -11.584 -3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.428 -12.606 -2.575 1.00 0.00 H new ATOM 965 N LEU A 58 4.263 -13.157 -3.384 1.00 0.00 N ATOM 966 CA LEU A 58 4.842 -12.134 -2.518 1.00 0.00 C ATOM 967 C LEU A 58 5.457 -11.032 -3.369 1.00 0.00 C ATOM 968 O LEU A 58 5.262 -9.859 -3.106 1.00 0.00 O ATOM 969 CB LEU A 58 5.909 -12.727 -1.593 1.00 0.00 C ATOM 970 CG LEU A 58 5.465 -12.954 -0.136 1.00 0.00 C ATOM 971 CD1 LEU A 58 4.319 -13.960 -0.025 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.659 -13.446 0.680 1.00 0.00 C ATOM 0 H LEU A 58 4.698 -14.077 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 58 4.046 -11.722 -1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.237 -13.680 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.775 -12.065 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 58 5.099 -12.003 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.044 -14.084 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.458 -13.595 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.637 -14.920 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.351 -13.609 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.027 -14.382 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.452 -12.699 0.651 1.00 0.00 H new ATOM 984 N ARG A 59 6.196 -11.395 -4.406 1.00 0.00 N ATOM 985 CA ARG A 59 6.808 -10.375 -5.260 1.00 0.00 C ATOM 986 C ARG A 59 5.746 -9.465 -5.861 1.00 0.00 C ATOM 987 O ARG A 59 5.942 -8.261 -5.906 1.00 0.00 O ATOM 988 CB ARG A 59 7.635 -11.020 -6.374 1.00 0.00 C ATOM 989 CG ARG A 59 8.984 -11.538 -5.897 1.00 0.00 C ATOM 990 CD ARG A 59 9.627 -12.429 -6.945 1.00 0.00 C ATOM 991 NE ARG A 59 10.926 -12.945 -6.483 1.00 0.00 N ATOM 992 CZ ARG A 59 11.625 -13.905 -7.079 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.209 -14.501 -8.168 1.00 0.00 N ATOM 994 NH2 ARG A 59 12.757 -14.282 -6.557 1.00 0.00 N ATOM 0 H ARG A 59 6.386 -12.360 -4.676 1.00 0.00 H new ATOM 0 HA ARG A 59 7.471 -9.775 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.069 -11.845 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.794 -10.291 -7.169 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.642 -10.698 -5.675 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.856 -12.096 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.963 -13.262 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.764 -11.867 -7.869 1.00 0.00 H new ATOM 0 HE ARG A 59 11.321 -12.533 -5.638 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.319 -14.232 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.775 -15.234 -8.596 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.096 -13.842 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.305 -15.018 -7.003 1.00 0.00 H new ATOM 1008 N ASP A 60 4.637 -10.034 -6.306 1.00 0.00 N ATOM 1009 CA ASP A 60 3.559 -9.265 -6.933 1.00 0.00 C ATOM 1010 C ASP A 60 2.748 -8.418 -5.945 1.00 0.00 C ATOM 1011 O ASP A 60 2.419 -7.271 -6.236 1.00 0.00 O ATOM 1012 CB ASP A 60 2.594 -10.212 -7.655 1.00 0.00 C ATOM 1013 CG ASP A 60 3.214 -10.867 -8.884 1.00 0.00 C ATOM 1014 OD1 ASP A 60 4.209 -10.344 -9.431 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.690 -11.920 -9.315 1.00 0.00 O ATOM 0 H ASP A 60 4.453 -11.036 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 60 4.048 -8.582 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.267 -10.987 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.705 -9.657 -7.955 1.00 0.00 H new ATOM 1020 N GLU A 61 2.410 -8.971 -4.789 1.00 0.00 N ATOM 1021 CA GLU A 61 1.585 -8.251 -3.808 1.00 0.00 C ATOM 1022 C GLU A 61 2.392 -7.084 -3.193 1.00 0.00 C ATOM 1023 O GLU A 61 1.911 -5.948 -3.050 1.00 0.00 O ATOM 1024 CB GLU A 61 1.059 -9.246 -2.748 1.00 0.00 C ATOM 1025 CG GLU A 61 2.069 -9.628 -1.670 1.00 0.00 C ATOM 1026 CD GLU A 61 1.662 -10.802 -0.810 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.452 -11.122 0.104 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.589 -11.411 -1.031 1.00 0.00 O ATOM 0 H GLU A 61 2.688 -9.909 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 61 0.716 -7.808 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.182 -8.812 -2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.729 -10.153 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.021 -9.859 -2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.237 -8.765 -1.026 1.00 0.00 H new ATOM 1035 N ILE A 62 3.644 -7.350 -2.861 1.00 0.00 N ATOM 1036 CA ILE A 62 4.520 -6.320 -2.357 1.00 0.00 C ATOM 1037 C ILE A 62 4.773 -5.326 -3.494 1.00 0.00 C ATOM 1038 O ILE A 62 4.989 -4.158 -3.244 1.00 0.00 O ATOM 1039 CB ILE A 62 5.845 -6.912 -1.781 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.532 -7.979 -0.703 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.681 -5.797 -1.124 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.750 -8.811 -0.253 1.00 0.00 C ATOM 0 H ILE A 62 4.072 -8.273 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 62 4.049 -5.806 -1.519 1.00 0.00 H new ATOM 0 HB ILE A 62 6.400 -7.364 -2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.105 -7.482 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.769 -8.655 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.603 -6.220 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.922 -5.037 -1.867 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.110 -5.344 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.439 -9.532 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.166 -9.340 -1.110 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.507 -8.149 0.167 1.00 0.00 H new ATOM 1054 N ASN A 63 4.724 -5.753 -4.752 1.00 0.00 N ATOM 1055 CA ASN A 63 4.865 -4.790 -5.852 1.00 0.00 C ATOM 1056 C ASN A 63 3.645 -3.875 -5.914 1.00 0.00 C ATOM 1057 O ASN A 63 3.764 -2.701 -6.241 1.00 0.00 O ATOM 1058 CB ASN A 63 5.058 -5.461 -7.209 1.00 0.00 C ATOM 1059 CG ASN A 63 5.557 -4.499 -8.246 1.00 0.00 C ATOM 1060 OD1 ASN A 63 6.600 -3.881 -8.070 1.00 0.00 O ATOM 1061 ND2 ASN A 63 4.839 -4.370 -9.326 1.00 0.00 N ATOM 0 H ASN A 63 4.593 -6.724 -5.035 1.00 0.00 H new ATOM 0 HA ASN A 63 5.764 -4.210 -5.641 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.765 -6.285 -7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.112 -5.891 -7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.140 -3.735 -10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.976 -4.904 -9.432 1.00 0.00 H new ATOM 1068 N LEU A 64 2.475 -4.400 -5.578 1.00 0.00 N ATOM 1069 CA LEU A 64 1.273 -3.575 -5.491 1.00 0.00 C ATOM 1070 C LEU A 64 1.461 -2.605 -4.331 1.00 0.00 C ATOM 1071 O LEU A 64 1.141 -1.425 -4.446 1.00 0.00 O ATOM 1072 CB LEU A 64 0.032 -4.438 -5.259 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.281 -3.674 -5.049 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -1.725 -2.921 -6.308 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.325 -4.677 -4.620 1.00 0.00 C ATOM 0 H LEU A 64 2.330 -5.386 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 64 1.125 -3.035 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.089 -5.104 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.208 -5.067 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.139 -2.912 -4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.659 -2.396 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.958 -2.200 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.874 -3.630 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.275 -4.167 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.444 -5.433 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.010 -5.156 -3.693 1.00 0.00 H new ATOM 1087 N ALA A 65 2.008 -3.086 -3.223 1.00 0.00 N ATOM 1088 CA ALA A 65 2.306 -2.183 -2.106 1.00 0.00 C ATOM 1089 C ALA A 65 3.341 -1.106 -2.521 1.00 0.00 C ATOM 1090 O ALA A 65 3.270 0.038 -2.088 1.00 0.00 O ATOM 1091 CB ALA A 65 2.799 -2.972 -0.913 1.00 0.00 C ATOM 0 H ALA A 65 2.251 -4.065 -3.069 1.00 0.00 H new ATOM 0 HA ALA A 65 1.387 -1.668 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.017 -2.290 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.031 -3.681 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.705 -3.514 -1.184 1.00 0.00 H new ATOM 1097 N LYS A 66 4.298 -1.465 -3.373 1.00 0.00 N ATOM 1098 CA LYS A 66 5.280 -0.491 -3.883 1.00 0.00 C ATOM 1099 C LYS A 66 4.588 0.537 -4.759 1.00 0.00 C ATOM 1100 O LYS A 66 4.967 1.701 -4.744 1.00 0.00 O ATOM 1101 CB LYS A 66 6.378 -1.163 -4.711 1.00 0.00 C ATOM 1102 CG LYS A 66 7.360 -1.997 -3.909 1.00 0.00 C ATOM 1103 CD LYS A 66 8.196 -2.848 -4.849 1.00 0.00 C ATOM 1104 CE LYS A 66 8.834 -4.012 -4.117 1.00 0.00 C ATOM 1105 NZ LYS A 66 9.425 -4.978 -5.099 1.00 0.00 N ATOM 0 H LYS A 66 4.421 -2.414 -3.727 1.00 0.00 H new ATOM 0 HA LYS A 66 5.735 -0.016 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.909 -1.800 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.931 -0.393 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.007 -1.347 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.822 -2.634 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.569 -3.224 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.972 -2.234 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.609 -3.647 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.089 -4.517 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.860 -5.772 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.677 -5.338 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.149 -4.495 -5.668 1.00 0.00 H new ATOM 1119 N GLN A 67 3.576 0.119 -5.510 1.00 0.00 N ATOM 1120 CA GLN A 67 2.806 1.050 -6.329 1.00 0.00 C ATOM 1121 C GLN A 67 2.154 2.040 -5.375 1.00 0.00 C ATOM 1122 O GLN A 67 2.332 3.241 -5.524 1.00 0.00 O ATOM 1123 CB GLN A 67 1.745 0.320 -7.164 1.00 0.00 C ATOM 1124 CG GLN A 67 0.927 1.238 -8.062 1.00 0.00 C ATOM 1125 CD GLN A 67 -0.195 0.496 -8.758 1.00 0.00 C ATOM 1126 OE1 GLN A 67 0.040 -0.394 -9.557 1.00 0.00 O ATOM 1127 NE2 GLN A 67 -1.415 0.854 -8.448 1.00 0.00 N ATOM 0 H GLN A 67 3.270 -0.852 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 67 3.458 1.560 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.237 -0.432 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.070 -0.211 -6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.510 2.051 -7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.580 1.692 -8.808 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.571 1.604 -7.774 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.210 0.383 -8.880 1.00 0.00 H new ATOM 1136 N GLU A 68 1.428 1.532 -4.384 1.00 0.00 N ATOM 1137 CA GLU A 68 0.840 2.377 -3.344 1.00 0.00 C ATOM 1138 C GLU A 68 1.903 3.306 -2.725 1.00 0.00 C ATOM 1139 O GLU A 68 1.705 4.510 -2.634 1.00 0.00 O ATOM 1140 CB GLU A 68 0.220 1.487 -2.255 1.00 0.00 C ATOM 1141 CG GLU A 68 -0.706 2.218 -1.308 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.071 1.388 -0.078 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -0.998 0.136 -0.135 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.424 1.998 0.957 1.00 0.00 O ATOM 0 H GLU A 68 1.231 0.537 -4.277 1.00 0.00 H new ATOM 0 HA GLU A 68 0.066 3.000 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.333 0.679 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.022 1.027 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.232 3.145 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.618 2.493 -1.839 1.00 0.00 H new ATOM 1151 N ALA A 69 3.038 2.753 -2.318 1.00 0.00 N ATOM 1152 CA ALA A 69 4.104 3.546 -1.699 1.00 0.00 C ATOM 1153 C ALA A 69 4.661 4.662 -2.609 1.00 0.00 C ATOM 1154 O ALA A 69 5.006 5.751 -2.129 1.00 0.00 O ATOM 1155 CB ALA A 69 5.226 2.620 -1.246 1.00 0.00 C ATOM 0 H ALA A 69 3.249 1.759 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 69 3.661 4.056 -0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.020 3.208 -0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.837 1.905 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.625 2.084 -2.107 1.00 0.00 H new ATOM 1161 N GLN A 70 4.742 4.415 -3.910 1.00 0.00 N ATOM 1162 CA GLN A 70 5.192 5.445 -4.847 1.00 0.00 C ATOM 1163 C GLN A 70 4.180 6.581 -4.836 1.00 0.00 C ATOM 1164 O GLN A 70 4.540 7.763 -4.855 1.00 0.00 O ATOM 1165 CB GLN A 70 5.319 4.892 -6.270 1.00 0.00 C ATOM 1166 CG GLN A 70 5.889 5.916 -7.254 1.00 0.00 C ATOM 1167 CD GLN A 70 5.949 5.395 -8.668 1.00 0.00 C ATOM 1168 OE1 GLN A 70 6.567 4.375 -8.938 1.00 0.00 O ATOM 1169 NE2 GLN A 70 5.321 6.090 -9.575 1.00 0.00 N ATOM 0 H GLN A 70 4.505 3.521 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 70 6.176 5.797 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.961 4.011 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.338 4.567 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.277 6.817 -7.229 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.891 6.202 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.816 6.936 -9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.335 5.788 -10.549 1.00 0.00 H new ATOM 1178 N ARG A 71 2.909 6.226 -4.784 1.00 0.00 N ATOM 1179 CA ARG A 71 1.866 7.236 -4.747 1.00 0.00 C ATOM 1180 C ARG A 71 2.001 8.025 -3.453 1.00 0.00 C ATOM 1181 O ARG A 71 1.784 9.223 -3.449 1.00 0.00 O ATOM 1182 CB ARG A 71 0.478 6.612 -4.861 1.00 0.00 C ATOM 1183 CG ARG A 71 0.335 5.572 -5.973 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.858 5.828 -6.843 1.00 0.00 C ATOM 1185 NE ARG A 71 -0.492 6.671 -7.988 1.00 0.00 N ATOM 1186 CZ ARG A 71 -0.214 6.255 -9.215 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -0.237 4.988 -9.557 1.00 0.00 N ATOM 1188 NH2 ARG A 71 0.105 7.139 -10.111 1.00 0.00 N ATOM 0 H ARG A 71 2.577 5.262 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 71 1.983 7.903 -5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.226 6.144 -3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.250 7.406 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.236 5.573 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.252 4.579 -5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.266 4.881 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.641 6.315 -6.262 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.447 7.677 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.476 4.277 -8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.016 4.714 -10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.137 8.128 -9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.323 6.845 -11.063 1.00 0.00 H new ATOM 1202 N LEU A 72 2.390 7.381 -2.350 1.00 0.00 N ATOM 1203 CA LEU A 72 2.594 8.104 -1.113 1.00 0.00 C ATOM 1204 C LEU A 72 3.798 9.020 -1.280 1.00 0.00 C ATOM 1205 O LEU A 72 3.777 10.128 -0.778 1.00 0.00 O ATOM 1206 CB LEU A 72 2.744 7.167 0.078 1.00 0.00 C ATOM 1207 CG LEU A 72 1.459 6.681 0.794 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.294 7.666 0.809 1.00 0.00 C ATOM 1209 CD2 LEU A 72 0.970 5.363 0.266 1.00 0.00 C ATOM 0 H LEU A 72 2.565 6.378 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 72 1.713 8.708 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.291 6.286 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.369 7.667 0.818 1.00 0.00 H new ATOM 0 HG LEU A 72 1.793 6.576 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.551 7.222 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.598 8.581 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.002 7.900 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.068 5.069 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.747 5.457 -0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.740 4.605 0.409 1.00 0.00 H new ATOM 1221 N LYS A 73 4.837 8.601 -2.002 1.00 0.00 N ATOM 1222 CA LYS A 73 5.961 9.522 -2.282 1.00 0.00 C ATOM 1223 C LYS A 73 5.439 10.740 -3.028 1.00 0.00 C ATOM 1224 O LYS A 73 5.694 11.873 -2.631 1.00 0.00 O ATOM 1225 CB LYS A 73 7.035 8.928 -3.191 1.00 0.00 C ATOM 1226 CG LYS A 73 7.925 7.849 -2.619 1.00 0.00 C ATOM 1227 CD LYS A 73 8.746 7.221 -3.767 1.00 0.00 C ATOM 1228 CE LYS A 73 9.694 8.235 -4.456 1.00 0.00 C ATOM 1229 NZ LYS A 73 10.206 7.706 -5.765 1.00 0.00 N ATOM 0 H LYS A 73 4.933 7.665 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 73 6.395 9.750 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.540 8.521 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.674 9.743 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.591 8.269 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.323 7.087 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.333 6.391 -3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.064 6.806 -4.510 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.166 9.174 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.534 8.455 -3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.837 8.409 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.731 6.823 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.405 7.519 -6.401 1.00 0.00 H new ATOM 1243 N GLU A 74 4.720 10.501 -4.116 1.00 0.00 N ATOM 1244 CA GLU A 74 4.243 11.601 -4.957 1.00 0.00 C ATOM 1245 C GLU A 74 3.295 12.528 -4.184 1.00 0.00 C ATOM 1246 O GLU A 74 3.283 13.741 -4.412 1.00 0.00 O ATOM 1247 CB GLU A 74 3.600 11.047 -6.235 1.00 0.00 C ATOM 1248 CG GLU A 74 4.651 10.403 -7.160 1.00 0.00 C ATOM 1249 CD GLU A 74 4.085 9.890 -8.482 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.463 10.683 -9.227 1.00 0.00 O ATOM 1251 OE2 GLU A 74 4.295 8.689 -8.791 1.00 0.00 O ATOM 0 H GLU A 74 4.455 9.570 -4.438 1.00 0.00 H new ATOM 0 HA GLU A 74 5.097 12.211 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.843 10.308 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.090 11.851 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.431 11.134 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.124 9.574 -6.633 1.00 0.00 H new ATOM 1258 N LEU A 75 2.532 11.972 -3.252 1.00 0.00 N ATOM 1259 CA LEU A 75 1.671 12.767 -2.372 1.00 0.00 C ATOM 1260 C LEU A 75 2.482 13.586 -1.371 1.00 0.00 C ATOM 1261 O LEU A 75 2.193 14.756 -1.139 1.00 0.00 O ATOM 1262 CB LEU A 75 0.745 11.848 -1.581 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.491 11.357 -2.325 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.002 10.074 -1.715 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.585 12.415 -2.291 1.00 0.00 C ATOM 0 H LEU A 75 2.489 10.967 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 75 1.102 13.443 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.318 10.981 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.421 12.374 -0.683 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.212 11.167 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.885 9.739 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.227 9.309 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.263 10.246 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.461 12.050 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.854 12.627 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.224 13.327 -2.766 1.00 0.00 H new ATOM 1277 N ARG A 76 3.507 12.983 -0.781 1.00 0.00 N ATOM 1278 CA ARG A 76 4.352 13.676 0.204 1.00 0.00 C ATOM 1279 C ARG A 76 5.025 14.866 -0.420 1.00 0.00 C ATOM 1280 O ARG A 76 5.262 15.864 0.236 1.00 0.00 O ATOM 1281 CB ARG A 76 5.467 12.770 0.696 1.00 0.00 C ATOM 1282 CG ARG A 76 5.047 11.666 1.622 1.00 0.00 C ATOM 1283 CD ARG A 76 6.030 10.546 1.483 1.00 0.00 C ATOM 1284 NE ARG A 76 7.401 11.007 1.762 1.00 0.00 N ATOM 1285 CZ ARG A 76 8.510 10.341 1.472 1.00 0.00 C ATOM 1286 NH1 ARG A 76 8.489 9.162 0.902 1.00 0.00 N ATOM 1287 NH2 ARG A 76 9.663 10.876 1.763 1.00 0.00 N ATOM 0 H ARG A 76 3.779 12.017 -0.962 1.00 0.00 H new ATOM 0 HA ARG A 76 3.697 13.973 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.958 12.326 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 76 6.211 13.383 1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.019 12.022 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 76 4.042 11.324 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.767 9.740 2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.979 10.136 0.474 1.00 0.00 H new ATOM 0 HE ARG A 76 7.506 11.914 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.598 8.726 0.666 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.364 8.680 0.694 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.702 11.793 2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.526 10.377 1.547 1.00 0.00 H new ATOM 1301 N GLU A 77 5.339 14.741 -1.696 1.00 0.00 N ATOM 1302 CA GLU A 77 6.010 15.799 -2.447 1.00 0.00 C ATOM 1303 C GLU A 77 5.017 16.922 -2.820 1.00 0.00 C ATOM 1304 O GLU A 77 5.356 17.866 -3.542 1.00 0.00 O ATOM 1305 CB GLU A 77 6.680 15.171 -3.678 1.00 0.00 C ATOM 1306 CG GLU A 77 7.871 14.255 -3.289 1.00 0.00 C ATOM 1307 CD GLU A 77 8.297 13.296 -4.403 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.770 12.171 -4.079 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.173 13.658 -5.590 1.00 0.00 O ATOM 0 H GLU A 77 5.138 13.906 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 77 6.780 16.269 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.944 14.591 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.032 15.961 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.722 14.878 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.600 13.676 -2.407 1.00 0.00 H new ATOM 1316 N GLY A 78 3.796 16.821 -2.308 1.00 0.00 N ATOM 1317 CA GLY A 78 2.780 17.843 -2.496 1.00 0.00 C ATOM 1318 C GLY A 78 2.814 18.885 -1.389 1.00 0.00 C ATOM 1319 O GLY A 78 3.643 18.824 -0.479 1.00 0.00 O ATOM 0 H GLY A 78 3.485 16.026 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.930 18.331 -3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.796 17.376 -2.525 1.00 0.00 H new ATOM 1323 N THR A 79 1.914 19.857 -1.470 1.00 0.00 N ATOM 1324 CA THR A 79 1.850 20.955 -0.501 1.00 0.00 C ATOM 1325 C THR A 79 0.473 21.630 -0.627 1.00 0.00 C ATOM 1326 O THR A 79 -0.404 21.117 -1.323 1.00 0.00 O ATOM 1327 CB THR A 79 3.020 21.975 -0.743 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.036 22.953 0.301 1.00 0.00 O ATOM 1329 CG2 THR A 79 2.904 22.685 -2.093 1.00 0.00 C ATOM 0 H THR A 79 1.208 19.911 -2.205 1.00 0.00 H new ATOM 0 HA THR A 79 1.970 20.572 0.512 1.00 0.00 H new ATOM 0 HB THR A 79 3.948 21.403 -0.744 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.901 22.926 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.736 23.379 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.929 21.948 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.964 23.235 -2.135 1.00 0.00 H new ATOM 1337 N GLU A 80 0.294 22.772 0.031 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.953 23.541 -0.012 1.00 0.00 C ATOM 1339 C GLU A 80 -1.287 23.864 -1.469 1.00 0.00 C ATOM 1340 O GLU A 80 -0.386 24.056 -2.269 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.778 24.850 0.783 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.067 25.616 1.066 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.814 26.900 1.854 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -1.380 26.817 3.032 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.051 28.000 1.297 1.00 0.00 O ATOM 0 H GLU A 80 1.015 23.196 0.615 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.762 22.960 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.296 24.618 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.100 25.502 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.557 25.861 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.752 24.978 1.625 1.00 0.00 H new ATOM 1352 N ASN A 81 -2.581 23.907 -1.793 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.089 24.186 -3.155 1.00 0.00 C ATOM 1354 C ASN A 81 -2.836 23.021 -4.130 1.00 0.00 C ATOM 1355 O ASN A 81 -3.094 23.136 -5.328 1.00 0.00 O ATOM 1356 CB ASN A 81 -2.579 25.565 -3.668 1.00 0.00 C ATOM 1357 CG ASN A 81 -1.672 25.477 -4.902 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -0.715 24.714 -4.977 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.978 26.295 -5.875 1.00 0.00 N ATOM 0 H ASN A 81 -3.324 23.748 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.175 24.263 -3.100 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.438 26.193 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.034 26.061 -2.865 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.415 26.310 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.780 26.918 -5.784 1.00 0.00 H new ATOM 1366 N GLU A 82 -2.350 21.916 -3.572 1.00 0.00 N ATOM 1367 CA GLU A 82 -2.042 20.665 -4.282 1.00 0.00 C ATOM 1368 C GLU A 82 -1.169 20.858 -5.529 1.00 0.00 C ATOM 1369 O GLU A 82 -1.304 20.147 -6.516 1.00 0.00 O ATOM 1370 CB GLU A 82 -3.308 19.806 -4.548 1.00 0.00 C ATOM 1371 CG GLU A 82 -4.272 20.256 -5.664 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.264 19.161 -6.062 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.896 17.959 -6.084 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.425 19.518 -6.369 1.00 0.00 O ATOM 0 H GLU A 82 -2.150 21.859 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.420 20.088 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.980 18.793 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.876 19.753 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.822 21.136 -5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.695 20.554 -6.539 1.00 0.00 H new ATOM 1479 N TYR A 88 -4.070 15.965 -10.115 1.00 0.00 N ATOM 1480 CA TYR A 88 -3.321 14.716 -10.093 1.00 0.00 C ATOM 1481 C TYR A 88 -2.756 14.447 -8.696 1.00 0.00 C ATOM 1482 O TYR A 88 -2.618 13.308 -8.307 1.00 0.00 O ATOM 1483 CB TYR A 88 -2.173 14.783 -11.106 1.00 0.00 C ATOM 1484 CG TYR A 88 -1.245 13.581 -11.057 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -0.019 13.642 -10.356 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -1.589 12.372 -11.698 1.00 0.00 C ATOM 1487 CE1 TYR A 88 0.848 12.514 -10.297 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -0.717 11.245 -11.647 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.491 11.330 -10.947 1.00 0.00 C ATOM 1490 OH TYR A 88 1.331 10.242 -10.900 1.00 0.00 O ATOM 0 HA TYR A 88 -3.997 13.903 -10.358 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.590 14.868 -12.109 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.592 15.687 -10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.264 14.557 -9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.524 12.299 -12.234 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.778 12.574 -9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.989 10.328 -12.148 1.00 0.00 H new ATOM 0 HH TYR A 88 2.105 10.450 -10.336 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.440 15.485 -7.931 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.879 15.267 -6.608 1.00 0.00 C ATOM 1502 C ALA A 89 -2.864 14.537 -5.678 1.00 0.00 C ATOM 1503 O ALA A 89 -2.551 13.467 -5.185 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.476 16.607 -6.004 1.00 0.00 C ATOM 0 H ALA A 89 -2.559 16.462 -8.197 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.002 14.628 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.055 16.447 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.732 17.084 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.353 17.250 -5.927 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.058 15.066 -5.453 1.00 0.00 N ATOM 1511 CA GLU A 90 -4.997 14.361 -4.567 1.00 0.00 C ATOM 1512 C GLU A 90 -5.564 13.132 -5.283 1.00 0.00 C ATOM 1513 O GLU A 90 -6.090 12.199 -4.663 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.096 15.294 -4.059 1.00 0.00 C ATOM 1515 CG GLU A 90 -5.565 16.380 -3.095 1.00 0.00 C ATOM 1516 CD GLU A 90 -4.809 15.800 -1.889 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.359 14.930 -1.184 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -3.653 16.226 -1.640 1.00 0.00 O ATOM 0 H GLU A 90 -4.398 15.943 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.457 14.018 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.579 15.775 -4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.859 14.705 -3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.903 17.051 -3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.402 16.980 -2.737 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.422 13.099 -6.597 1.00 0.00 N ATOM 1526 CA GLU A 91 -5.776 11.905 -7.344 1.00 0.00 C ATOM 1527 C GLU A 91 -4.825 10.781 -6.952 1.00 0.00 C ATOM 1528 O GLU A 91 -5.208 9.624 -7.001 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.699 12.137 -8.846 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.339 11.038 -9.656 1.00 0.00 C ATOM 1531 CD GLU A 91 -6.259 11.319 -11.128 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -6.883 12.316 -11.570 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -5.588 10.552 -11.849 1.00 0.00 O ATOM 0 H GLU A 91 -5.070 13.872 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.805 11.640 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.184 13.084 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.653 12.232 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.846 10.091 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.383 10.929 -9.362 1.00 0.00 H new ATOM 1540 N GLU A 92 -3.600 11.098 -6.540 1.00 0.00 N ATOM 1541 CA GLU A 92 -2.687 10.034 -6.122 1.00 0.00 C ATOM 1542 C GLU A 92 -3.283 9.342 -4.904 1.00 0.00 C ATOM 1543 O GLU A 92 -3.128 8.144 -4.739 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.293 10.567 -5.779 1.00 0.00 C ATOM 1545 CG GLU A 92 -0.455 10.971 -6.969 1.00 0.00 C ATOM 1546 CD GLU A 92 -0.098 9.777 -7.807 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -0.832 9.467 -8.764 1.00 0.00 O ATOM 1548 OE2 GLU A 92 0.904 9.111 -7.495 1.00 0.00 O ATOM 0 H GLU A 92 -3.225 12.045 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.569 9.337 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.402 11.429 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.756 9.802 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.002 11.694 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.455 11.465 -6.627 1.00 0.00 H new ATOM 1555 N LEU A 93 -3.986 10.091 -4.064 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.626 9.518 -2.878 1.00 0.00 C ATOM 1557 C LEU A 93 -5.803 8.647 -3.301 1.00 0.00 C ATOM 1558 O LEU A 93 -6.056 7.594 -2.718 1.00 0.00 O ATOM 1559 CB LEU A 93 -5.097 10.629 -1.931 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.579 10.182 -0.542 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -4.457 9.523 0.273 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -6.115 11.398 0.210 1.00 0.00 C ATOM 0 H LEU A 93 -4.130 11.094 -4.178 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.900 8.903 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.277 11.335 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.909 11.171 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.364 9.437 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.843 9.223 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.089 8.645 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.641 10.233 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.460 11.092 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.322 12.139 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.946 11.832 -0.346 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.514 9.066 -4.337 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.611 8.250 -4.872 1.00 0.00 C ATOM 1576 C GLU A 94 -7.030 6.942 -5.451 1.00 0.00 C ATOM 1577 O GLU A 94 -7.619 5.866 -5.349 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.367 9.026 -5.960 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.736 8.445 -6.306 1.00 0.00 C ATOM 1580 CD GLU A 94 -10.806 8.831 -5.289 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.495 9.851 -5.509 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -10.972 8.114 -4.273 1.00 0.00 O ATOM 0 H GLU A 94 -6.361 9.950 -4.822 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.313 8.012 -4.072 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.495 10.058 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.757 9.052 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.036 8.793 -7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.664 7.359 -6.359 1.00 0.00 H new ATOM 1589 N GLN A 95 -5.854 7.030 -6.049 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.199 5.852 -6.607 1.00 0.00 C ATOM 1591 C GLN A 95 -4.550 4.987 -5.503 1.00 0.00 C ATOM 1592 O GLN A 95 -4.385 3.787 -5.689 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.195 6.270 -7.685 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.871 6.869 -8.937 1.00 0.00 C ATOM 1595 CD GLN A 95 -3.887 7.184 -10.050 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -3.071 6.347 -10.422 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -3.965 8.377 -10.593 1.00 0.00 N ATOM 0 H GLN A 95 -5.333 7.899 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.954 5.224 -7.080 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.504 7.002 -7.266 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -3.602 5.403 -7.978 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.619 6.169 -9.309 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.398 7.781 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.657 9.046 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.333 8.634 -11.351 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.224 5.568 -4.351 1.00 0.00 N ATOM 1607 CA VAL A 96 -3.769 4.789 -3.178 1.00 0.00 C ATOM 1608 C VAL A 96 -4.964 3.978 -2.699 1.00 0.00 C ATOM 1609 O VAL A 96 -4.862 2.781 -2.400 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.289 5.724 -2.002 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.281 4.997 -0.643 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -1.913 6.262 -2.281 1.00 0.00 C ATOM 0 H VAL A 96 -4.263 6.575 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.925 4.162 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.004 6.545 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.943 5.682 0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.288 4.651 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.606 4.142 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.600 6.905 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.212 5.433 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.928 6.838 -3.206 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.112 4.639 -2.647 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.356 4.003 -2.235 1.00 0.00 C ATOM 1624 C ARG A 97 -7.640 2.821 -3.148 1.00 0.00 C ATOM 1625 O ARG A 97 -8.050 1.770 -2.676 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.487 5.032 -2.296 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.842 4.562 -1.834 1.00 0.00 C ATOM 1628 CD ARG A 97 -10.848 5.621 -2.242 1.00 0.00 C ATOM 1629 NE ARG A 97 -12.219 5.315 -1.814 1.00 0.00 N ATOM 1630 CZ ARG A 97 -13.288 6.035 -2.134 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -13.218 7.105 -2.888 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -14.457 5.670 -1.685 1.00 0.00 N ATOM 0 H ARG A 97 -6.208 5.626 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.276 3.636 -1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.199 5.893 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.578 5.380 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.090 3.601 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.851 4.418 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.548 6.580 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -10.829 5.732 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.360 4.491 -1.230 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.317 7.413 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.065 7.629 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.541 4.841 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.287 6.213 -1.923 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.412 2.971 -4.443 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.623 1.851 -5.362 1.00 0.00 C ATOM 1648 C GLU A 98 -6.506 0.789 -5.269 1.00 0.00 C ATOM 1649 O GLU A 98 -6.768 -0.389 -5.452 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.802 2.344 -6.799 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.429 1.290 -7.735 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.798 0.785 -7.241 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.038 -0.444 -7.290 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.628 1.609 -6.796 1.00 0.00 O ATOM 0 H GLU A 98 -7.088 3.834 -4.880 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.546 1.360 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.431 3.234 -6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.832 2.641 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.544 1.719 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.748 0.444 -7.829 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.274 1.185 -4.959 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.182 0.218 -4.745 1.00 0.00 C ATOM 1663 C ALA A 99 -4.599 -0.689 -3.575 1.00 0.00 C ATOM 1664 O ALA A 99 -4.534 -1.928 -3.654 1.00 0.00 O ATOM 1665 CB ALA A 99 -2.870 0.947 -4.433 1.00 0.00 C ATOM 0 H ALA A 99 -5.000 2.161 -4.849 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.011 -0.376 -5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.076 0.217 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.608 1.597 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.992 1.547 -3.531 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.051 -0.054 -2.501 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.519 -0.779 -1.322 1.00 0.00 C ATOM 1673 C LEU A 100 -6.731 -1.633 -1.663 1.00 0.00 C ATOM 1674 O LEU A 100 -6.823 -2.782 -1.256 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.892 0.209 -0.217 1.00 0.00 C ATOM 1676 CG LEU A 100 -4.693 0.868 0.474 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.141 2.153 1.150 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.075 -0.088 1.498 1.00 0.00 C ATOM 0 H LEU A 100 -5.104 0.961 -2.420 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.714 -1.428 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.525 0.988 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.487 -0.311 0.533 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.934 1.103 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.289 2.622 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.549 2.834 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.907 1.926 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.225 0.395 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.820 -0.346 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.740 -0.994 0.994 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.661 -1.079 -2.426 1.00 0.00 N ATOM 1691 CA ARG A 101 -8.854 -1.822 -2.832 1.00 0.00 C ATOM 1692 C ARG A 101 -8.491 -3.039 -3.669 1.00 0.00 C ATOM 1693 O ARG A 101 -9.113 -4.091 -3.545 1.00 0.00 O ATOM 1694 CB ARG A 101 -9.794 -0.909 -3.614 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.062 -1.594 -4.031 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.151 -0.590 -4.329 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.384 -1.265 -4.764 1.00 0.00 N ATOM 1698 CZ ARG A 101 -14.232 -1.910 -3.968 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -14.044 -2.024 -2.673 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.291 -2.464 -4.490 1.00 0.00 N ATOM 0 H ARG A 101 -7.617 -0.122 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.357 -2.173 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.040 -0.041 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.279 -0.539 -4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.875 -2.205 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.391 -2.268 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.353 0.008 -3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.815 0.097 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.607 -1.236 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.220 -1.608 -2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.722 -2.528 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.458 -2.399 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.952 -2.963 -3.894 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.483 -2.918 -4.515 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.045 -4.051 -5.320 1.00 0.00 C ATOM 1716 C LYS A 102 -6.458 -5.109 -4.397 1.00 0.00 C ATOM 1717 O LYS A 102 -6.678 -6.289 -4.617 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.042 -3.608 -6.394 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.819 -4.650 -7.504 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.594 -5.516 -7.237 1.00 0.00 C ATOM 1721 CE LYS A 102 -4.365 -6.530 -8.343 1.00 0.00 C ATOM 1722 NZ LYS A 102 -3.112 -7.315 -8.082 1.00 0.00 N ATOM 0 H LYS A 102 -6.956 -2.058 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.897 -4.479 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.393 -2.680 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.087 -3.389 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -6.701 -5.285 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.701 -4.141 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.714 -4.880 -7.140 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -4.717 -6.036 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.218 -7.205 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.289 -6.020 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -3.048 -8.102 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.284 -6.695 -8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.134 -7.692 -7.113 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.737 -4.698 -3.359 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.194 -5.661 -2.392 1.00 0.00 C ATOM 1738 C ALA A 103 -6.346 -6.366 -1.655 1.00 0.00 C ATOM 1739 O ALA A 103 -6.362 -7.597 -1.502 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.280 -4.939 -1.382 1.00 0.00 C ATOM 0 H ALA A 103 -5.515 -3.722 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.605 -6.407 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.883 -5.662 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.456 -4.462 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.854 -4.182 -0.848 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.311 -5.570 -1.215 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.483 -6.083 -0.506 1.00 0.00 C ATOM 1748 C GLU A 104 -9.209 -7.100 -1.382 1.00 0.00 C ATOM 1749 O GLU A 104 -9.622 -8.148 -0.904 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.434 -4.931 -0.145 1.00 0.00 C ATOM 1751 CG GLU A 104 -8.924 -4.027 0.989 1.00 0.00 C ATOM 1752 CD GLU A 104 -9.742 -2.737 1.144 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -10.688 -2.507 0.348 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -9.428 -1.942 2.065 1.00 0.00 O ATOM 0 H GLU A 104 -7.307 -4.557 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.156 -6.567 0.414 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.602 -4.322 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.399 -5.348 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.950 -4.581 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.882 -3.769 0.799 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.355 -6.800 -2.666 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.021 -7.723 -3.583 1.00 0.00 C ATOM 1763 C LYS A 105 -9.161 -8.937 -3.927 1.00 0.00 C ATOM 1764 O LYS A 105 -9.674 -10.012 -4.193 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.450 -7.016 -4.864 1.00 0.00 C ATOM 1766 CG LYS A 105 -11.555 -7.790 -5.551 1.00 0.00 C ATOM 1767 CD LYS A 105 -12.039 -7.164 -6.820 1.00 0.00 C ATOM 1768 CE LYS A 105 -13.156 -8.037 -7.370 1.00 0.00 C ATOM 1769 NZ LYS A 105 -13.682 -7.527 -8.669 1.00 0.00 N ATOM 0 H LYS A 105 -9.026 -5.935 -3.095 1.00 0.00 H new ATOM 0 HA LYS A 105 -10.906 -8.083 -3.058 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.794 -6.008 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.597 -6.916 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.198 -8.797 -5.768 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -12.395 -7.890 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.401 -6.153 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.226 -7.084 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.788 -9.054 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.968 -8.085 -6.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.441 -8.153 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.058 -6.566 -8.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -12.914 -7.506 -9.370 1.00 0.00 H new ATOM 1783 N GLU A 106 -7.853 -8.783 -3.914 1.00 0.00 N ATOM 1784 CA GLU A 106 -6.969 -9.916 -4.161 1.00 0.00 C ATOM 1785 C GLU A 106 -7.149 -10.878 -2.987 1.00 0.00 C ATOM 1786 O GLU A 106 -7.312 -12.092 -3.164 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.520 -9.435 -4.300 1.00 0.00 C ATOM 1788 CG GLU A 106 -4.544 -10.510 -4.727 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.189 -9.929 -5.110 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -2.163 -10.332 -4.525 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.150 -9.064 -6.017 1.00 0.00 O ATOM 0 H GLU A 106 -7.378 -7.898 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.213 -10.424 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.488 -8.622 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.193 -9.023 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.415 -11.226 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.956 -11.059 -5.574 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.162 -10.333 -1.780 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.385 -11.161 -0.596 1.00 0.00 C ATOM 1800 C LEU A 107 -8.792 -11.769 -0.609 1.00 0.00 C ATOM 1801 O LEU A 107 -8.980 -12.926 -0.221 1.00 0.00 O ATOM 1802 CB LEU A 107 -7.149 -10.330 0.662 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.668 -9.954 0.855 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.546 -8.877 1.919 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.837 -11.191 1.231 1.00 0.00 C ATOM 0 H LEU A 107 -7.024 -9.340 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.677 -11.989 -0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.747 -9.420 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.494 -10.889 1.532 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.277 -9.564 -0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.497 -8.614 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.105 -7.994 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.949 -9.249 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.794 -10.903 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.216 -11.615 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.911 -11.934 0.437 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.771 -11.009 -1.083 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.139 -11.512 -1.244 1.00 0.00 C ATOM 1819 C GLU A 108 -11.095 -12.731 -2.166 1.00 0.00 C ATOM 1820 O GLU A 108 -11.665 -13.774 -1.853 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.040 -10.416 -1.846 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.495 -10.809 -2.100 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.234 -9.746 -2.927 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -15.011 -8.959 -2.342 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.031 -9.691 -4.168 1.00 0.00 O ATOM 0 H GLU A 108 -9.647 -10.037 -1.365 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.552 -11.794 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.028 -9.556 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -11.602 -10.091 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.528 -11.765 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.006 -10.949 -1.147 1.00 0.00 H new ATOM 1832 N SER A 109 -10.403 -12.610 -3.293 1.00 0.00 N ATOM 1833 CA SER A 109 -10.304 -13.708 -4.255 1.00 0.00 C ATOM 1834 C SER A 109 -9.569 -14.918 -3.680 1.00 0.00 C ATOM 1835 O SER A 109 -9.868 -16.052 -4.053 1.00 0.00 O ATOM 1836 CB SER A 109 -9.639 -13.237 -5.555 1.00 0.00 C ATOM 1837 OG SER A 109 -8.264 -12.927 -5.398 1.00 0.00 O ATOM 0 H SER A 109 -9.902 -11.765 -3.565 1.00 0.00 H new ATOM 0 HA SER A 109 -11.322 -14.027 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.746 -14.014 -6.312 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.164 -12.356 -5.926 1.00 0.00 H new ATOM 0 HG SER A 109 -8.119 -12.522 -4.518 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.646 -14.702 -2.749 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.947 -15.834 -2.133 1.00 0.00 C ATOM 1845 C HIS A 110 -8.855 -16.506 -1.096 1.00 0.00 C ATOM 1846 O HIS A 110 -8.652 -17.664 -0.750 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.681 -15.372 -1.398 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.599 -14.854 -2.294 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.202 -15.443 -3.470 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.783 -13.771 -2.153 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.208 -14.727 -3.980 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -3.896 -13.701 -3.209 1.00 0.00 N ATOM 0 H HIS A 110 -8.367 -13.782 -2.409 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.681 -16.525 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.953 -14.591 -0.688 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.287 -16.207 -0.818 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -5.603 -16.286 -3.881 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.824 -13.069 -1.333 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.714 -14.956 -4.913 1.00 0.00 H new ATOM 1860 N SER A 111 -9.861 -15.788 -0.611 1.00 0.00 N ATOM 1861 CA SER A 111 -10.806 -16.346 0.369 1.00 0.00 C ATOM 1862 C SER A 111 -12.121 -16.829 -0.255 1.00 0.00 C ATOM 1863 O SER A 111 -12.912 -17.504 0.395 1.00 0.00 O ATOM 1864 CB SER A 111 -11.121 -15.291 1.431 1.00 0.00 C ATOM 1865 OG SER A 111 -11.831 -14.191 0.876 1.00 0.00 O ATOM 0 H SER A 111 -10.049 -14.821 -0.875 1.00 0.00 H new ATOM 0 HA SER A 111 -10.319 -17.218 0.807 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.711 -15.741 2.229 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.193 -14.937 1.881 1.00 0.00 H new ATOM 0 HG SER A 111 -11.749 -14.208 -0.100 1.00 0.00 H new ATOM 1871 N SER A 112 -12.358 -16.473 -1.511 1.00 0.00 N ATOM 1872 CA SER A 112 -13.619 -16.807 -2.196 1.00 0.00 C ATOM 1873 C SER A 112 -13.780 -18.274 -2.602 1.00 0.00 C ATOM 1874 O SER A 112 -14.825 -18.656 -3.128 1.00 0.00 O ATOM 1875 CB SER A 112 -13.757 -15.956 -3.460 1.00 0.00 C ATOM 1876 OG SER A 112 -13.876 -14.581 -3.141 1.00 0.00 O ATOM 0 H SER A 112 -11.696 -15.951 -2.085 1.00 0.00 H new ATOM 0 HA SER A 112 -14.396 -16.601 -1.459 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.889 -16.109 -4.101 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.632 -16.278 -4.025 1.00 0.00 H new ATOM 0 HG SER A 112 -13.034 -14.261 -2.755 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.764 -19.093 -2.383 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.820 -20.497 -2.783 1.00 0.00 C ATOM 1884 C TRP A 113 -12.029 -21.338 -1.798 1.00 0.00 C ATOM 1885 O TRP A 113 -11.036 -20.866 -1.243 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.234 -20.643 -4.182 1.00 0.00 C ATOM 1887 CG TRP A 113 -12.530 -21.957 -4.832 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.610 -22.272 -5.588 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -11.725 -23.151 -4.800 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.553 -23.557 -6.037 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -12.399 -24.134 -5.583 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -10.502 -23.493 -4.192 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -11.880 -25.429 -5.780 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -9.975 -24.789 -4.386 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -10.673 -25.745 -5.181 1.00 0.00 C ATOM 0 H TRP A 113 -11.892 -18.815 -1.933 1.00 0.00 H new ATOM 0 HA TRP A 113 -13.855 -20.838 -2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.621 -19.842 -4.812 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.153 -20.512 -4.128 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -14.417 -21.588 -5.807 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -14.256 -24.014 -6.617 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.973 -22.773 -3.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.409 -26.154 -6.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.035 -25.058 -3.928 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.253 -26.731 -5.318 1.00 0.00 H new