USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=28 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+ -165:sc= 3.3 (180deg=1.14) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 1.11 K(o=4.4,f=-13!) USER MOD Set 2.1: A 70 GLN : amide:sc= 1.11 K(o=1.8,f=-3.1) USER MOD Set 2.2: A 73 LYS NZ :NH3+ 165:sc= 0.664 (180deg=-0.224) USER MOD Set 3.1: A 63 ASN : amide:sc= 0.774 K(o=1.7,f=-2) USER MOD Set 3.2: A 66 LYS NZ :NH3+ -175:sc= 0.891 (180deg=0) USER MOD Set 4.1: A 31 HIS : no HE2:sc= 0.99 K(o=-1.9,f=-11!) USER MOD Set 4.2: A 34 GLN : amide:sc= -2.86! X(o=-1.9!,f=-2) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 0.883 (180deg=0.601) USER MOD Single : A 12 HIS : no HD1:sc= -0.0606 X(o=-0.061,f=-0.0048) USER MOD Single : A 13 MET CE :methyl -171:sc= 0 (180deg=-0.0782) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.22 (180deg=1.19) USER MOD Single : A 15 LYS NZ :NH3+ -133:sc= 0.00681 (180deg=-0.579) USER MOD Single : A 16 MET CE :methyl -165:sc= -0.025 (180deg=-0.309) USER MOD Single : A 17 MET CE :methyl -138:sc= 0 (180deg=-0.013) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.39 (180deg=-0.459) USER MOD Single : A 24 HIS : no HE2:sc= -0.0564 K(o=-0.056,f=-3.7!) USER MOD Single : A 28 GLN : amide:sc= 0.829 K(o=0.83,f=-0.16) USER MOD Single : A 29 SER OG : rot -49:sc= 1.14 USER MOD Single : A 38 HIS : no HE2:sc= 0.785 K(o=0.78,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.543) USER MOD Single : A 41 GLN : amide:sc= 0.36 K(o=0.36,f=-2.5!) USER MOD Single : A 44 HIS : no HE2:sc= 0.526 K(o=0.53,f=-2.2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0.333 (180deg=0.154) USER MOD Single : A 53 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.43) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.0064) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.192 USER MOD Single : A 81 ASN : amide:sc= -0.0125 X(o=-0.013,f=-0.2) USER MOD Single : A 88 TYR OH : rot -171:sc= 1 USER MOD Single : A 95 GLN : amide:sc= -0.648 K(o=-0.65,f=-1.7!) USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.77) USER MOD Single : A 105 LYS NZ :NH3+ -109:sc= 0.653 (180deg=-0.0949) USER MOD Single : A 109 SER OG : rot -18:sc= 1.22 USER MOD Single : A 111 SER OG : rot -81:sc= 1.12 USER MOD Single : A 112 SER OG : rot 45:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 5.986 28.991 6.225 1.00 0.00 N ATOM 85 CA ARG A 7 4.844 29.853 5.877 1.00 0.00 C ATOM 86 C ARG A 7 3.554 29.044 5.729 1.00 0.00 C ATOM 87 O ARG A 7 2.490 29.476 6.159 1.00 0.00 O ATOM 88 CB ARG A 7 5.145 30.581 4.561 1.00 0.00 C ATOM 89 CG ARG A 7 4.093 31.589 4.122 1.00 0.00 C ATOM 90 CD ARG A 7 4.447 32.134 2.746 1.00 0.00 C ATOM 91 NE ARG A 7 3.458 33.114 2.266 1.00 0.00 N ATOM 92 CZ ARG A 7 3.460 33.672 1.058 1.00 0.00 C ATOM 93 NH1 ARG A 7 4.365 33.385 0.155 1.00 0.00 N ATOM 94 NH2 ARG A 7 2.532 34.538 0.757 1.00 0.00 N ATOM 0 HA ARG A 7 4.700 30.571 6.684 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.100 31.097 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.264 29.838 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.111 31.116 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 7 4.034 32.405 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.431 32.602 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.513 31.309 2.036 1.00 0.00 H new ATOM 0 HE ARG A 7 2.714 33.386 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.102 32.712 0.367 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.333 33.834 -0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.818 34.779 1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 7 2.521 34.974 -0.165 1.00 0.00 H new ATOM 108 N TYR A 8 3.661 27.877 5.116 1.00 0.00 N ATOM 109 CA TYR A 8 2.506 27.015 4.873 1.00 0.00 C ATOM 110 C TYR A 8 2.486 25.806 5.809 1.00 0.00 C ATOM 111 O TYR A 8 1.709 24.879 5.612 1.00 0.00 O ATOM 112 CB TYR A 8 2.547 26.543 3.415 1.00 0.00 C ATOM 113 CG TYR A 8 2.451 27.686 2.427 1.00 0.00 C ATOM 114 CD1 TYR A 8 3.557 28.053 1.630 1.00 0.00 C ATOM 115 CD2 TYR A 8 1.251 28.411 2.281 1.00 0.00 C ATOM 116 CE1 TYR A 8 3.467 29.135 0.712 1.00 0.00 C ATOM 117 CE2 TYR A 8 1.159 29.492 1.365 1.00 0.00 C ATOM 118 CZ TYR A 8 2.269 29.842 0.592 1.00 0.00 C ATOM 119 OH TYR A 8 2.176 30.886 -0.293 1.00 0.00 O ATOM 0 H TYR A 8 4.544 27.498 4.773 1.00 0.00 H new ATOM 0 HA TYR A 8 1.600 27.589 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.473 25.995 3.241 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.727 25.847 3.240 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.483 27.505 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.390 28.141 2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.321 29.409 0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 8 0.235 30.042 1.266 1.00 0.00 H new ATOM 0 HH TYR A 8 1.275 31.269 -0.253 1.00 0.00 H new ATOM 129 N SER A 9 3.350 25.818 6.818 1.00 0.00 N ATOM 130 CA SER A 9 3.563 24.654 7.696 1.00 0.00 C ATOM 131 C SER A 9 2.311 23.962 8.193 1.00 0.00 C ATOM 132 O SER A 9 2.283 22.752 8.263 1.00 0.00 O ATOM 133 CB SER A 9 4.401 25.054 8.906 1.00 0.00 C ATOM 134 OG SER A 9 3.846 26.196 9.542 1.00 0.00 O ATOM 0 H SER A 9 3.924 26.627 7.057 1.00 0.00 H new ATOM 0 HA SER A 9 4.074 23.932 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.449 24.225 9.612 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.423 25.266 8.593 1.00 0.00 H new ATOM 0 HG SER A 9 4.395 26.438 10.317 1.00 0.00 H new ATOM 140 N LYS A 10 1.284 24.727 8.524 1.00 0.00 N ATOM 141 CA LYS A 10 0.013 24.178 9.004 1.00 0.00 C ATOM 142 C LYS A 10 -0.520 23.010 8.143 1.00 0.00 C ATOM 143 O LYS A 10 -0.420 21.827 8.498 1.00 0.00 O ATOM 144 CB LYS A 10 -1.034 25.315 9.054 1.00 0.00 C ATOM 145 CG LYS A 10 -0.916 26.361 7.895 1.00 0.00 C ATOM 146 CD LYS A 10 -2.222 27.124 7.684 1.00 0.00 C ATOM 147 CE LYS A 10 -2.203 27.932 6.372 1.00 0.00 C ATOM 148 NZ LYS A 10 -2.387 27.066 5.146 1.00 0.00 N ATOM 0 H LYS A 10 1.301 25.745 8.470 1.00 0.00 H new ATOM 0 HA LYS A 10 0.193 23.765 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.031 24.875 9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.940 25.836 10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.116 27.066 8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.640 25.851 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.055 26.422 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.390 27.798 8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.992 28.683 6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.257 28.467 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.718 27.652 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.480 26.623 4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.090 26.326 5.346 1.00 0.00 H new ATOM 162 N GLU A 11 -1.103 23.360 7.015 1.00 0.00 N ATOM 163 CA GLU A 11 -1.752 22.398 6.157 1.00 0.00 C ATOM 164 C GLU A 11 -0.715 21.617 5.355 1.00 0.00 C ATOM 165 O GLU A 11 -0.963 20.490 4.982 1.00 0.00 O ATOM 166 CB GLU A 11 -2.749 23.135 5.255 1.00 0.00 C ATOM 167 CG GLU A 11 -3.811 22.243 4.594 1.00 0.00 C ATOM 168 CD GLU A 11 -4.898 21.782 5.569 1.00 0.00 C ATOM 169 OE1 GLU A 11 -4.961 22.291 6.712 1.00 0.00 O ATOM 170 OE2 GLU A 11 -5.695 20.893 5.198 1.00 0.00 O ATOM 0 H GLU A 11 -1.139 24.319 6.670 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.301 21.669 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.255 23.899 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.194 23.653 4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.275 22.789 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.325 21.369 4.161 1.00 0.00 H new ATOM 177 N HIS A 12 0.453 22.199 5.107 1.00 0.00 N ATOM 178 CA HIS A 12 1.504 21.495 4.363 1.00 0.00 C ATOM 179 C HIS A 12 2.039 20.301 5.159 1.00 0.00 C ATOM 180 O HIS A 12 2.163 19.201 4.626 1.00 0.00 O ATOM 181 CB HIS A 12 2.644 22.462 4.026 1.00 0.00 C ATOM 182 CG HIS A 12 3.644 21.918 3.055 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.878 22.475 2.833 1.00 0.00 N ATOM 184 CD2 HIS A 12 3.586 20.845 2.217 1.00 0.00 C ATOM 185 CE1 HIS A 12 5.499 21.759 1.904 1.00 0.00 C ATOM 186 NE2 HIS A 12 4.754 20.756 1.490 1.00 0.00 N ATOM 0 H HIS A 12 0.699 23.143 5.403 1.00 0.00 H new ATOM 0 HA HIS A 12 1.071 21.115 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.219 23.379 3.617 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.159 22.733 4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.750 20.166 2.135 1.00 0.00 H new ATOM 0 HE1 HIS A 12 6.491 21.973 1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.990 20.061 0.782 1.00 0.00 H new ATOM 194 N MET A 13 2.344 20.500 6.437 1.00 0.00 N ATOM 195 CA MET A 13 2.834 19.399 7.263 1.00 0.00 C ATOM 196 C MET A 13 1.689 18.433 7.516 1.00 0.00 C ATOM 197 O MET A 13 1.888 17.224 7.500 1.00 0.00 O ATOM 198 CB MET A 13 3.413 19.908 8.585 1.00 0.00 C ATOM 199 CG MET A 13 4.108 18.833 9.409 1.00 0.00 C ATOM 200 SD MET A 13 4.811 19.506 10.936 1.00 0.00 S ATOM 201 CE MET A 13 6.257 20.408 10.315 1.00 0.00 C ATOM 0 H MET A 13 2.263 21.396 6.918 1.00 0.00 H new ATOM 0 HA MET A 13 3.640 18.888 6.736 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.124 20.707 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.609 20.344 9.178 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.396 18.045 9.653 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.899 18.375 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.870 20.736 11.155 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.845 19.754 9.671 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.927 21.277 9.746 1.00 0.00 H new ATOM 211 N LYS A 14 0.483 18.959 7.720 1.00 0.00 N ATOM 212 CA LYS A 14 -0.695 18.095 7.885 1.00 0.00 C ATOM 213 C LYS A 14 -0.835 17.174 6.667 1.00 0.00 C ATOM 214 O LYS A 14 -1.077 15.976 6.811 1.00 0.00 O ATOM 215 CB LYS A 14 -1.942 18.965 8.028 1.00 0.00 C ATOM 216 CG LYS A 14 -3.260 18.217 8.133 1.00 0.00 C ATOM 217 CD LYS A 14 -4.374 19.226 7.994 1.00 0.00 C ATOM 218 CE LYS A 14 -5.741 18.587 7.883 1.00 0.00 C ATOM 219 NZ LYS A 14 -6.736 19.647 7.500 1.00 0.00 N ATOM 0 H LYS A 14 0.292 19.959 7.775 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.578 17.483 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.828 19.588 8.915 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.994 19.637 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.332 17.458 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.330 17.699 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.361 19.895 8.855 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.193 19.839 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.728 17.793 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.023 18.129 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.661 19.206 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.825 20.336 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.411 20.133 6.640 1.00 0.00 H new ATOM 233 N LYS A 15 -0.671 17.738 5.478 1.00 0.00 N ATOM 234 CA LYS A 15 -0.745 16.975 4.232 1.00 0.00 C ATOM 235 C LYS A 15 0.335 15.916 4.188 1.00 0.00 C ATOM 236 O LYS A 15 0.040 14.737 4.043 1.00 0.00 O ATOM 237 CB LYS A 15 -0.555 17.907 3.025 1.00 0.00 C ATOM 238 CG LYS A 15 -1.828 18.186 2.229 1.00 0.00 C ATOM 239 CD LYS A 15 -1.684 17.667 0.801 1.00 0.00 C ATOM 240 CE LYS A 15 -1.730 16.158 0.771 1.00 0.00 C ATOM 241 NZ LYS A 15 -1.149 15.584 -0.478 1.00 0.00 N ATOM 0 H LYS A 15 -0.484 18.732 5.346 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.726 16.502 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.147 18.855 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.186 17.468 2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.680 17.708 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.029 19.257 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.483 18.072 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.742 18.015 0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.188 15.766 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.765 15.829 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.791 14.860 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.023 16.340 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.227 15.152 -0.265 1.00 0.00 H new ATOM 255 N MET A 16 1.582 16.343 4.325 1.00 0.00 N ATOM 256 CA MET A 16 2.719 15.433 4.225 1.00 0.00 C ATOM 257 C MET A 16 2.645 14.308 5.250 1.00 0.00 C ATOM 258 O MET A 16 3.030 13.183 4.963 1.00 0.00 O ATOM 259 CB MET A 16 4.025 16.214 4.368 1.00 0.00 C ATOM 260 CG MET A 16 5.229 15.484 3.782 1.00 0.00 C ATOM 261 SD MET A 16 6.740 16.482 3.841 1.00 0.00 S ATOM 262 CE MET A 16 6.363 17.788 2.617 1.00 0.00 C ATOM 0 H MET A 16 1.835 17.315 4.506 1.00 0.00 H new ATOM 0 HA MET A 16 2.687 14.966 3.241 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.919 17.180 3.875 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.208 16.413 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.389 14.555 4.330 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.017 15.212 2.748 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.281 18.312 2.349 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.930 17.336 1.725 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.654 18.495 3.047 1.00 0.00 H new ATOM 272 N MET A 17 2.128 14.600 6.436 1.00 0.00 N ATOM 273 CA MET A 17 1.933 13.564 7.447 1.00 0.00 C ATOM 274 C MET A 17 0.900 12.562 6.938 1.00 0.00 C ATOM 275 O MET A 17 1.140 11.369 6.939 1.00 0.00 O ATOM 276 CB MET A 17 1.454 14.182 8.763 1.00 0.00 C ATOM 277 CG MET A 17 1.304 13.176 9.896 1.00 0.00 C ATOM 278 SD MET A 17 0.570 13.937 11.360 1.00 0.00 S ATOM 279 CE MET A 17 -1.183 13.956 10.908 1.00 0.00 C ATOM 0 H MET A 17 1.838 15.535 6.722 1.00 0.00 H new ATOM 0 HA MET A 17 2.881 13.058 7.631 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.159 14.956 9.068 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.495 14.672 8.596 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.682 12.344 9.566 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.280 12.763 10.150 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.625 14.908 11.203 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.282 13.829 9.830 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.699 13.143 11.418 1.00 0.00 H new ATOM 289 N LYS A 18 -0.248 13.052 6.486 1.00 0.00 N ATOM 290 CA LYS A 18 -1.305 12.180 5.960 1.00 0.00 C ATOM 291 C LYS A 18 -0.761 11.364 4.783 1.00 0.00 C ATOM 292 O LYS A 18 -1.044 10.174 4.666 1.00 0.00 O ATOM 293 CB LYS A 18 -2.527 13.042 5.563 1.00 0.00 C ATOM 294 CG LYS A 18 -3.494 12.438 4.521 1.00 0.00 C ATOM 295 CD LYS A 18 -3.369 13.194 3.197 1.00 0.00 C ATOM 296 CE LYS A 18 -4.027 12.454 2.028 1.00 0.00 C ATOM 297 NZ LYS A 18 -3.743 13.148 0.719 1.00 0.00 N ATOM 0 H LYS A 18 -0.476 14.046 6.471 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.631 11.473 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.095 13.263 6.467 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.161 13.993 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.267 11.383 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.519 12.495 4.887 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.825 14.178 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.314 13.354 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.658 11.429 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.104 12.399 2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.892 12.482 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.384 13.960 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.758 13.481 0.709 1.00 0.00 H new ATOM 311 N ASP A 19 0.024 11.994 3.926 1.00 0.00 N ATOM 312 CA ASP A 19 0.585 11.305 2.761 1.00 0.00 C ATOM 313 C ASP A 19 1.556 10.186 3.162 1.00 0.00 C ATOM 314 O ASP A 19 1.477 9.058 2.666 1.00 0.00 O ATOM 315 CB ASP A 19 1.339 12.296 1.867 1.00 0.00 C ATOM 316 CG ASP A 19 0.477 13.462 1.411 1.00 0.00 C ATOM 317 OD1 ASP A 19 1.028 14.567 1.254 1.00 0.00 O ATOM 318 OD2 ASP A 19 -0.752 13.296 1.213 1.00 0.00 O ATOM 0 H ASP A 19 0.290 12.975 4.008 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.256 10.865 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.203 12.681 2.409 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.720 11.770 0.992 1.00 0.00 H new ATOM 323 N LEU A 20 2.488 10.491 4.053 1.00 0.00 N ATOM 324 CA LEU A 20 3.515 9.519 4.422 1.00 0.00 C ATOM 325 C LEU A 20 3.060 8.468 5.410 1.00 0.00 C ATOM 326 O LEU A 20 3.590 7.368 5.407 1.00 0.00 O ATOM 327 CB LEU A 20 4.768 10.219 4.938 1.00 0.00 C ATOM 328 CG LEU A 20 5.565 10.953 3.845 1.00 0.00 C ATOM 329 CD1 LEU A 20 6.799 11.589 4.480 1.00 0.00 C ATOM 330 CD2 LEU A 20 5.987 9.987 2.703 1.00 0.00 C ATOM 0 H LEU A 20 2.558 11.390 4.530 1.00 0.00 H new ATOM 0 HA LEU A 20 3.742 8.984 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.482 10.935 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.415 9.482 5.413 1.00 0.00 H new ATOM 0 HG LEU A 20 4.931 11.722 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.373 12.113 3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.489 12.297 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.418 10.813 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.548 10.539 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.612 9.192 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.098 9.551 2.248 1.00 0.00 H new ATOM 342 N GLU A 21 2.066 8.758 6.231 1.00 0.00 N ATOM 343 CA GLU A 21 1.502 7.708 7.075 1.00 0.00 C ATOM 344 C GLU A 21 0.694 6.802 6.146 1.00 0.00 C ATOM 345 O GLU A 21 0.531 5.612 6.399 1.00 0.00 O ATOM 346 CB GLU A 21 0.658 8.277 8.218 1.00 0.00 C ATOM 347 CG GLU A 21 1.496 9.055 9.249 1.00 0.00 C ATOM 348 CD GLU A 21 2.718 8.273 9.711 1.00 0.00 C ATOM 349 OE1 GLU A 21 2.554 7.143 10.213 1.00 0.00 O ATOM 350 OE2 GLU A 21 3.854 8.782 9.556 1.00 0.00 O ATOM 0 H GLU A 21 1.641 9.679 6.334 1.00 0.00 H new ATOM 0 HA GLU A 21 2.290 7.143 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.106 8.936 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.138 7.461 8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.817 10.001 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.874 9.296 10.111 1.00 0.00 H new ATOM 357 N GLY A 22 0.229 7.360 5.035 1.00 0.00 N ATOM 358 CA GLY A 22 -0.402 6.550 4.006 1.00 0.00 C ATOM 359 C GLY A 22 0.659 5.673 3.365 1.00 0.00 C ATOM 360 O GLY A 22 0.429 4.495 3.101 1.00 0.00 O ATOM 0 H GLY A 22 0.277 8.357 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.191 5.935 4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.870 7.188 3.256 1.00 0.00 H new ATOM 364 N LEU A 23 1.844 6.229 3.131 1.00 0.00 N ATOM 365 CA LEU A 23 2.956 5.436 2.588 1.00 0.00 C ATOM 366 C LEU A 23 3.294 4.306 3.573 1.00 0.00 C ATOM 367 O LEU A 23 3.555 3.178 3.170 1.00 0.00 O ATOM 368 CB LEU A 23 4.170 6.326 2.294 1.00 0.00 C ATOM 369 CG LEU A 23 5.028 5.887 1.091 1.00 0.00 C ATOM 370 CD1 LEU A 23 5.950 7.021 0.673 1.00 0.00 C ATOM 371 CD2 LEU A 23 5.870 4.642 1.384 1.00 0.00 C ATOM 0 H LEU A 23 2.063 7.210 3.304 1.00 0.00 H new ATOM 0 HA LEU A 23 2.660 4.990 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.821 7.344 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.803 6.354 3.181 1.00 0.00 H new ATOM 0 HG LEU A 23 4.336 5.636 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.554 6.704 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.354 7.889 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.604 7.283 1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.453 4.381 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.544 4.846 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.213 3.812 1.644 1.00 0.00 H new ATOM 383 N HIS A 24 3.249 4.589 4.867 1.00 0.00 N ATOM 384 CA HIS A 24 3.455 3.536 5.861 1.00 0.00 C ATOM 385 C HIS A 24 2.344 2.509 5.768 1.00 0.00 C ATOM 386 O HIS A 24 2.605 1.323 5.903 1.00 0.00 O ATOM 387 CB HIS A 24 3.546 4.097 7.276 1.00 0.00 C ATOM 388 CG HIS A 24 4.735 4.976 7.489 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.991 4.731 6.924 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.895 6.116 8.207 1.00 0.00 C ATOM 391 CE1 HIS A 24 6.818 5.698 7.297 1.00 0.00 C ATOM 392 NE2 HIS A 24 6.176 6.539 8.067 1.00 0.00 N ATOM 0 H HIS A 24 3.076 5.518 5.252 1.00 0.00 H new ATOM 0 HA HIS A 24 4.409 3.055 5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.641 4.664 7.493 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.583 3.270 7.985 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.231 3.941 6.325 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.130 6.605 8.792 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.856 5.779 7.011 1.00 0.00 H new ATOM 400 N ARG A 25 1.111 2.933 5.508 1.00 0.00 N ATOM 401 CA ARG A 25 0.040 1.961 5.279 1.00 0.00 C ATOM 402 C ARG A 25 0.383 1.135 4.045 1.00 0.00 C ATOM 403 O ARG A 25 0.118 -0.037 4.040 1.00 0.00 O ATOM 404 CB ARG A 25 -1.354 2.593 5.112 1.00 0.00 C ATOM 405 CG ARG A 25 -2.442 1.505 5.005 1.00 0.00 C ATOM 406 CD ARG A 25 -3.843 2.011 4.740 1.00 0.00 C ATOM 407 NE ARG A 25 -4.691 0.857 4.381 1.00 0.00 N ATOM 408 CZ ARG A 25 -5.985 0.897 4.089 1.00 0.00 C ATOM 409 NH1 ARG A 25 -6.676 2.009 4.112 1.00 0.00 N ATOM 410 NH2 ARG A 25 -6.591 -0.213 3.755 1.00 0.00 N ATOM 0 H ARG A 25 0.830 3.912 5.451 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.020 1.338 6.171 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.567 3.244 5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.370 3.218 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.166 0.816 4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.451 0.931 5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.239 2.513 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.836 2.743 3.933 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.240 -0.057 4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.221 2.887 4.361 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.669 1.997 3.881 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.069 -1.089 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.585 -0.203 3.527 1.00 0.00 H new ATOM 424 N ALA A 26 0.978 1.717 3.013 1.00 0.00 N ATOM 425 CA ALA A 26 1.366 0.919 1.837 1.00 0.00 C ATOM 426 C ALA A 26 2.428 -0.152 2.190 1.00 0.00 C ATOM 427 O ALA A 26 2.363 -1.276 1.703 1.00 0.00 O ATOM 428 CB ALA A 26 1.869 1.826 0.710 1.00 0.00 C ATOM 0 H ALA A 26 1.202 2.710 2.956 1.00 0.00 H new ATOM 0 HA ALA A 26 0.475 0.394 1.492 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.150 1.217 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.079 2.519 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.736 2.389 1.055 1.00 0.00 H new ATOM 434 N GLU A 27 3.390 0.179 3.041 1.00 0.00 N ATOM 435 CA GLU A 27 4.409 -0.803 3.479 1.00 0.00 C ATOM 436 C GLU A 27 3.725 -1.908 4.328 1.00 0.00 C ATOM 437 O GLU A 27 3.932 -3.154 4.173 1.00 0.00 O ATOM 438 CB GLU A 27 5.494 -0.074 4.293 1.00 0.00 C ATOM 439 CG GLU A 27 6.265 0.978 3.466 1.00 0.00 C ATOM 440 CD GLU A 27 7.170 1.881 4.313 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.397 1.867 4.088 1.00 0.00 O ATOM 442 OE2 GLU A 27 6.656 2.620 5.192 1.00 0.00 O ATOM 0 H GLU A 27 3.498 1.109 3.447 1.00 0.00 H new ATOM 0 HA GLU A 27 4.879 -1.273 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.030 0.414 5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.199 -0.807 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.872 0.467 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.550 1.598 2.925 1.00 0.00 H new ATOM 449 N GLN A 28 2.869 -1.442 5.218 1.00 0.00 N ATOM 450 CA GLN A 28 2.085 -2.332 6.038 1.00 0.00 C ATOM 451 C GLN A 28 1.209 -3.173 5.120 1.00 0.00 C ATOM 452 O GLN A 28 0.951 -4.305 5.414 1.00 0.00 O ATOM 453 CB GLN A 28 1.229 -1.537 7.030 1.00 0.00 C ATOM 454 CG GLN A 28 0.665 -2.378 8.170 1.00 0.00 C ATOM 455 CD GLN A 28 1.746 -2.883 9.106 1.00 0.00 C ATOM 456 OE1 GLN A 28 2.522 -2.108 9.647 1.00 0.00 O ATOM 457 NE2 GLN A 28 1.803 -4.171 9.300 1.00 0.00 N ATOM 0 H GLN A 28 2.702 -0.450 5.388 1.00 0.00 H new ATOM 0 HA GLN A 28 2.740 -2.980 6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.831 -0.731 7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.403 -1.072 6.491 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.053 -1.784 8.735 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.121 -3.227 7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.139 -4.787 8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.512 -4.562 9.920 1.00 0.00 H new ATOM 466 N SER A 29 0.761 -2.626 3.999 1.00 0.00 N ATOM 467 CA SER A 29 -0.091 -3.374 3.084 1.00 0.00 C ATOM 468 C SER A 29 0.667 -4.499 2.411 1.00 0.00 C ATOM 469 O SER A 29 0.122 -5.564 2.325 1.00 0.00 O ATOM 470 CB SER A 29 -0.772 -2.483 2.033 1.00 0.00 C ATOM 471 OG SER A 29 0.073 -2.205 0.935 1.00 0.00 O ATOM 0 H SER A 29 0.971 -1.673 3.702 1.00 0.00 H new ATOM 0 HA SER A 29 -0.881 -3.805 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.678 -2.974 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.079 -1.546 2.498 1.00 0.00 H new ATOM 0 HG SER A 29 0.945 -1.900 1.262 1.00 0.00 H new ATOM 477 N LEU A 30 1.907 -4.293 1.960 1.00 0.00 N ATOM 478 CA LEU A 30 2.692 -5.404 1.377 1.00 0.00 C ATOM 479 C LEU A 30 2.922 -6.424 2.498 1.00 0.00 C ATOM 480 O LEU A 30 2.675 -7.632 2.310 1.00 0.00 O ATOM 481 CB LEU A 30 4.019 -4.952 0.720 1.00 0.00 C ATOM 482 CG LEU A 30 4.865 -3.774 1.230 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.086 -4.296 1.973 1.00 0.00 C ATOM 484 CD2 LEU A 30 5.327 -2.835 0.107 1.00 0.00 C ATOM 0 H LEU A 30 2.387 -3.393 1.982 1.00 0.00 H new ATOM 0 HA LEU A 30 2.132 -5.847 0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.674 -5.823 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.785 -4.732 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 30 4.224 -3.197 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.681 -3.456 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.765 -4.901 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.688 -4.906 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.919 -2.024 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.933 -3.392 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.457 -2.421 -0.402 1.00 0.00 H new ATOM 496 N HIS A 31 3.364 -5.987 3.674 1.00 0.00 N ATOM 497 CA HIS A 31 3.611 -6.998 4.716 1.00 0.00 C ATOM 498 C HIS A 31 2.340 -7.714 5.217 1.00 0.00 C ATOM 499 O HIS A 31 2.340 -8.935 5.424 1.00 0.00 O ATOM 500 CB HIS A 31 4.440 -6.418 5.846 1.00 0.00 C ATOM 501 CG HIS A 31 5.862 -6.161 5.447 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.548 -6.898 4.504 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.749 -5.219 5.872 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.779 -6.407 4.412 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.959 -5.383 5.223 1.00 0.00 N ATOM 0 H HIS A 31 3.550 -5.016 3.927 1.00 0.00 H new ATOM 0 HA HIS A 31 4.193 -7.789 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.987 -5.485 6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.423 -7.104 6.693 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.175 -7.683 3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.538 -4.457 6.607 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.540 -6.799 3.753 1.00 0.00 H new ATOM 513 N ASP A 32 1.251 -6.988 5.376 1.00 0.00 N ATOM 514 CA ASP A 32 -0.016 -7.601 5.757 1.00 0.00 C ATOM 515 C ASP A 32 -0.506 -8.454 4.595 1.00 0.00 C ATOM 516 O ASP A 32 -1.228 -9.415 4.802 1.00 0.00 O ATOM 517 CB ASP A 32 -1.097 -6.559 6.070 1.00 0.00 C ATOM 518 CG ASP A 32 -0.876 -5.833 7.384 1.00 0.00 C ATOM 519 OD1 ASP A 32 -1.703 -4.943 7.686 1.00 0.00 O ATOM 520 OD2 ASP A 32 0.087 -6.137 8.117 1.00 0.00 O ATOM 0 H ASP A 32 1.213 -5.977 5.249 1.00 0.00 H new ATOM 0 HA ASP A 32 0.157 -8.192 6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.131 -5.828 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.069 -7.052 6.095 1.00 0.00 H new ATOM 525 N LEU A 33 -0.131 -8.107 3.369 1.00 0.00 N ATOM 526 CA LEU A 33 -0.523 -8.899 2.204 1.00 0.00 C ATOM 527 C LEU A 33 0.143 -10.245 2.317 1.00 0.00 C ATOM 528 O LEU A 33 -0.549 -11.250 2.228 1.00 0.00 O ATOM 529 CB LEU A 33 -0.142 -8.239 0.867 1.00 0.00 C ATOM 530 CG LEU A 33 -1.289 -7.508 0.151 1.00 0.00 C ATOM 531 CD1 LEU A 33 -0.734 -6.434 -0.798 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.150 -8.511 -0.620 1.00 0.00 C ATOM 0 H LEU A 33 0.440 -7.289 3.154 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.610 -8.986 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.665 -7.528 1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.252 -9.006 0.200 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.910 -7.015 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.560 -5.927 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.154 -5.709 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.094 -6.904 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.960 -7.984 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.536 -9.025 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.568 -9.240 0.074 1.00 0.00 H new ATOM 544 N GLN A 34 1.459 -10.308 2.532 1.00 0.00 N ATOM 545 CA GLN A 34 2.053 -11.653 2.663 1.00 0.00 C ATOM 546 C GLN A 34 1.534 -12.355 3.913 1.00 0.00 C ATOM 547 O GLN A 34 1.231 -13.550 3.860 1.00 0.00 O ATOM 548 CB GLN A 34 3.596 -11.714 2.643 1.00 0.00 C ATOM 549 CG GLN A 34 4.370 -10.551 3.260 1.00 0.00 C ATOM 550 CD GLN A 34 4.880 -9.531 2.252 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.732 -8.697 2.587 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.378 -9.573 1.041 1.00 0.00 N ATOM 0 H GLN A 34 2.097 -9.516 2.615 1.00 0.00 H new ATOM 0 HA GLN A 34 1.730 -12.170 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.900 -12.626 3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.912 -11.811 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.727 -10.043 3.979 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.218 -10.949 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.678 -10.275 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.688 -8.903 0.337 1.00 0.00 H new ATOM 561 N GLU A 35 1.414 -11.641 5.030 1.00 0.00 N ATOM 562 CA GLU A 35 0.938 -12.277 6.267 1.00 0.00 C ATOM 563 C GLU A 35 -0.432 -12.927 6.048 1.00 0.00 C ATOM 564 O GLU A 35 -0.636 -14.101 6.358 1.00 0.00 O ATOM 565 CB GLU A 35 0.865 -11.245 7.404 1.00 0.00 C ATOM 566 CG GLU A 35 0.937 -11.833 8.820 1.00 0.00 C ATOM 567 CD GLU A 35 -0.253 -12.717 9.186 1.00 0.00 C ATOM 568 OE1 GLU A 35 -0.017 -13.837 9.697 1.00 0.00 O ATOM 569 OE2 GLU A 35 -1.414 -12.301 8.981 1.00 0.00 O ATOM 0 H GLU A 35 1.632 -10.648 5.110 1.00 0.00 H new ATOM 0 HA GLU A 35 1.646 -13.056 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.681 -10.533 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.065 -10.685 7.306 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.853 -12.417 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.005 -11.016 9.539 1.00 0.00 H new ATOM 576 N ARG A 36 -1.371 -12.172 5.498 1.00 0.00 N ATOM 577 CA ARG A 36 -2.724 -12.680 5.285 1.00 0.00 C ATOM 578 C ARG A 36 -2.802 -13.681 4.145 1.00 0.00 C ATOM 579 O ARG A 36 -3.713 -14.483 4.113 1.00 0.00 O ATOM 580 CB ARG A 36 -3.695 -11.526 5.052 1.00 0.00 C ATOM 581 CG ARG A 36 -3.902 -10.671 6.309 1.00 0.00 C ATOM 582 CD ARG A 36 -4.720 -9.424 6.014 1.00 0.00 C ATOM 583 NE ARG A 36 -3.968 -8.500 5.152 1.00 0.00 N ATOM 584 CZ ARG A 36 -4.395 -7.316 4.727 1.00 0.00 C ATOM 585 NH1 ARG A 36 -5.574 -6.844 5.051 1.00 0.00 N ATOM 586 NH2 ARG A 36 -3.627 -6.599 3.951 1.00 0.00 N ATOM 0 H ARG A 36 -1.226 -11.210 5.191 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.010 -13.213 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.319 -10.896 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.656 -11.924 4.725 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.405 -11.264 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.933 -10.382 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.655 -9.703 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.982 -8.926 6.947 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.038 -8.794 4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.196 -7.390 5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.870 -5.931 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.709 -6.950 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.945 -5.689 3.619 1.00 0.00 H new ATOM 600 N LEU A 37 -1.853 -13.661 3.221 1.00 0.00 N ATOM 601 CA LEU A 37 -1.814 -14.662 2.151 1.00 0.00 C ATOM 602 C LEU A 37 -1.319 -15.982 2.751 1.00 0.00 C ATOM 603 O LEU A 37 -1.877 -17.076 2.484 1.00 0.00 O ATOM 604 CB LEU A 37 -0.889 -14.180 1.023 1.00 0.00 C ATOM 605 CG LEU A 37 -0.742 -15.007 -0.265 1.00 0.00 C ATOM 606 CD1 LEU A 37 0.319 -16.089 -0.126 1.00 0.00 C ATOM 607 CD2 LEU A 37 -2.063 -15.634 -0.722 1.00 0.00 C ATOM 0 H LEU A 37 -1.103 -12.971 3.185 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.806 -14.811 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.227 -13.185 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.108 -14.066 1.449 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.425 -14.299 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.391 -16.650 -1.058 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.282 -15.628 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.045 -16.765 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.898 -16.206 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.440 -16.296 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.792 -14.847 -0.914 1.00 0.00 H new ATOM 619 N HIS A 38 -0.291 -15.880 3.588 1.00 0.00 N ATOM 620 CA HIS A 38 0.226 -17.053 4.283 1.00 0.00 C ATOM 621 C HIS A 38 -0.907 -17.622 5.122 1.00 0.00 C ATOM 622 O HIS A 38 -1.118 -18.819 5.122 1.00 0.00 O ATOM 623 CB HIS A 38 1.434 -16.704 5.154 1.00 0.00 C ATOM 624 CG HIS A 38 2.734 -16.734 4.412 1.00 0.00 C ATOM 625 ND1 HIS A 38 3.523 -17.848 4.287 1.00 0.00 N ATOM 626 CD2 HIS A 38 3.408 -15.752 3.747 1.00 0.00 C ATOM 627 CE1 HIS A 38 4.600 -17.524 3.582 1.00 0.00 C ATOM 628 NE2 HIS A 38 4.580 -16.256 3.218 1.00 0.00 N ATOM 0 H HIS A 38 0.195 -15.009 3.800 1.00 0.00 H new ATOM 0 HA HIS A 38 0.574 -17.791 3.560 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.290 -15.711 5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.485 -17.404 5.988 1.00 0.00 H new ATOM 0 HD1 HIS A 38 3.317 -18.770 4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.074 -14.730 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.394 -18.213 3.337 1.00 0.00 H new ATOM 636 N LYS A 39 -1.661 -16.770 5.806 1.00 0.00 N ATOM 637 CA LYS A 39 -2.842 -17.228 6.550 1.00 0.00 C ATOM 638 C LYS A 39 -3.841 -17.890 5.612 1.00 0.00 C ATOM 639 O LYS A 39 -4.335 -18.983 5.894 1.00 0.00 O ATOM 640 CB LYS A 39 -3.537 -16.046 7.238 1.00 0.00 C ATOM 641 CG LYS A 39 -2.828 -15.535 8.474 1.00 0.00 C ATOM 642 CD LYS A 39 -3.133 -16.436 9.650 1.00 0.00 C ATOM 643 CE LYS A 39 -2.431 -15.993 10.913 1.00 0.00 C ATOM 644 NZ LYS A 39 -0.963 -16.214 10.791 1.00 0.00 N ATOM 0 H LYS A 39 -1.484 -15.767 5.865 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.503 -17.945 7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.629 -15.228 6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.549 -16.345 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.753 -15.501 8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.148 -14.516 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.209 -16.452 9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.833 -17.456 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.633 -14.938 11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.820 -16.547 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.567 -16.437 11.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.784 -17.006 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.512 -15.353 10.421 1.00 0.00 H new ATOM 658 N ALA A 40 -4.143 -17.222 4.507 1.00 0.00 N ATOM 659 CA ALA A 40 -5.124 -17.707 3.545 1.00 0.00 C ATOM 660 C ALA A 40 -4.753 -19.092 3.026 1.00 0.00 C ATOM 661 O ALA A 40 -5.615 -19.981 2.919 1.00 0.00 O ATOM 662 CB ALA A 40 -5.271 -16.723 2.388 1.00 0.00 C ATOM 0 H ALA A 40 -3.716 -16.331 4.252 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.083 -17.788 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.008 -17.102 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.600 -15.757 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.311 -16.606 1.885 1.00 0.00 H new ATOM 668 N GLN A 41 -3.490 -19.331 2.706 1.00 0.00 N ATOM 669 CA GLN A 41 -3.202 -20.693 2.303 1.00 0.00 C ATOM 670 C GLN A 41 -3.026 -21.589 3.543 1.00 0.00 C ATOM 671 O GLN A 41 -3.830 -22.485 3.780 1.00 0.00 O ATOM 672 CB GLN A 41 -1.955 -20.748 1.414 1.00 0.00 C ATOM 673 CG GLN A 41 -1.758 -22.126 0.777 1.00 0.00 C ATOM 674 CD GLN A 41 -0.517 -22.211 -0.088 1.00 0.00 C ATOM 675 OE1 GLN A 41 -0.597 -22.293 -1.311 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.632 -22.203 0.538 1.00 0.00 N ATOM 0 H GLN A 41 -2.715 -18.668 2.714 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.045 -21.065 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.037 -19.996 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.076 -20.495 2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.697 -22.878 1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.632 -22.368 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.658 -22.134 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.502 -22.266 0.009 1.00 0.00 H new ATOM 685 N GLU A 42 -2.016 -21.333 4.356 1.00 0.00 N ATOM 686 CA GLU A 42 -1.618 -22.291 5.391 1.00 0.00 C ATOM 687 C GLU A 42 -2.721 -22.622 6.375 1.00 0.00 C ATOM 688 O GLU A 42 -2.868 -23.778 6.766 1.00 0.00 O ATOM 689 CB GLU A 42 -0.366 -21.800 6.125 1.00 0.00 C ATOM 690 CG GLU A 42 0.836 -21.646 5.184 1.00 0.00 C ATOM 691 CD GLU A 42 2.084 -21.127 5.882 1.00 0.00 C ATOM 692 OE1 GLU A 42 2.291 -21.424 7.075 1.00 0.00 O ATOM 693 OE2 GLU A 42 2.871 -20.418 5.213 1.00 0.00 O ATOM 0 H GLU A 42 -1.457 -20.480 4.326 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.393 -23.222 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.578 -20.842 6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.115 -22.502 6.920 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.058 -22.611 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.571 -20.965 4.375 1.00 0.00 H new ATOM 700 N GLU A 43 -3.506 -21.632 6.767 1.00 0.00 N ATOM 701 CA GLU A 43 -4.625 -21.903 7.653 1.00 0.00 C ATOM 702 C GLU A 43 -5.937 -22.083 6.885 1.00 0.00 C ATOM 703 O GLU A 43 -6.753 -22.933 7.246 1.00 0.00 O ATOM 704 CB GLU A 43 -4.768 -20.789 8.699 1.00 0.00 C ATOM 705 CG GLU A 43 -3.542 -20.654 9.611 1.00 0.00 C ATOM 706 CD GLU A 43 -3.709 -19.575 10.677 1.00 0.00 C ATOM 707 OE1 GLU A 43 -2.717 -19.281 11.387 1.00 0.00 O ATOM 708 OE2 GLU A 43 -4.816 -19.007 10.802 1.00 0.00 O ATOM 0 H GLU A 43 -3.394 -20.656 6.494 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.412 -22.843 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.939 -19.841 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.648 -20.985 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.350 -21.611 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.667 -20.424 9.003 1.00 0.00 H new ATOM 715 N HIS A 44 -6.174 -21.262 5.862 1.00 0.00 N ATOM 716 CA HIS A 44 -7.529 -21.220 5.258 1.00 0.00 C ATOM 717 C HIS A 44 -7.680 -22.078 4.023 1.00 0.00 C ATOM 718 O HIS A 44 -8.789 -22.303 3.546 1.00 0.00 O ATOM 719 CB HIS A 44 -8.011 -19.785 4.997 1.00 0.00 C ATOM 720 CG HIS A 44 -8.131 -18.953 6.238 1.00 0.00 C ATOM 721 ND1 HIS A 44 -7.069 -18.536 7.002 1.00 0.00 N ATOM 722 CD2 HIS A 44 -9.231 -18.454 6.865 1.00 0.00 C ATOM 723 CE1 HIS A 44 -7.542 -17.837 8.028 1.00 0.00 C ATOM 724 NE2 HIS A 44 -8.857 -17.749 7.991 1.00 0.00 N ATOM 0 H HIS A 44 -5.487 -20.637 5.440 1.00 0.00 H new ATOM 0 HA HIS A 44 -8.179 -21.661 6.014 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.319 -19.298 4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.980 -19.822 4.500 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.085 -18.730 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.249 -18.590 6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.926 -17.396 8.797 1.00 0.00 H new ATOM 732 N ARG A 45 -6.553 -22.578 3.538 1.00 0.00 N ATOM 733 CA ARG A 45 -6.487 -23.602 2.478 1.00 0.00 C ATOM 734 C ARG A 45 -7.497 -23.453 1.342 1.00 0.00 C ATOM 735 O ARG A 45 -8.167 -24.417 0.954 1.00 0.00 O ATOM 736 CB ARG A 45 -6.571 -25.004 3.117 1.00 0.00 C ATOM 737 CG ARG A 45 -7.840 -25.275 3.938 1.00 0.00 C ATOM 738 CD ARG A 45 -7.991 -26.744 4.248 1.00 0.00 C ATOM 739 NE ARG A 45 -9.411 -27.101 4.398 1.00 0.00 N ATOM 740 CZ ARG A 45 -10.242 -27.353 3.390 1.00 0.00 C ATOM 741 NH1 ARG A 45 -9.869 -27.293 2.141 1.00 0.00 N ATOM 742 NH2 ARG A 45 -11.479 -27.677 3.638 1.00 0.00 N ATOM 0 H ARG A 45 -5.634 -22.284 3.870 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.525 -23.454 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.503 -25.751 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.704 -25.144 3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.802 -24.707 4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.713 -24.926 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.544 -27.337 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.452 -26.985 5.164 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.786 -27.160 5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -8.908 -27.045 1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.539 -27.494 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -11.807 -27.737 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.120 -27.871 2.868 1.00 0.00 H new ATOM 756 N THR A 46 -7.580 -22.244 0.809 1.00 0.00 N ATOM 757 CA THR A 46 -8.421 -21.958 -0.346 1.00 0.00 C ATOM 758 C THR A 46 -8.169 -22.948 -1.491 1.00 0.00 C ATOM 759 O THR A 46 -7.093 -23.540 -1.603 1.00 0.00 O ATOM 760 CB THR A 46 -8.173 -20.508 -0.837 1.00 0.00 C ATOM 761 OG1 THR A 46 -8.905 -20.255 -2.040 1.00 0.00 O ATOM 762 CG2 THR A 46 -6.683 -20.250 -1.107 1.00 0.00 C ATOM 0 H THR A 46 -7.069 -21.435 1.162 1.00 0.00 H new ATOM 0 HA THR A 46 -9.460 -22.066 -0.035 1.00 0.00 H new ATOM 0 HB THR A 46 -8.511 -19.840 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.740 -19.336 -2.336 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.548 -19.224 -1.449 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.115 -20.404 -0.190 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.328 -20.938 -1.874 1.00 0.00 H new ATOM 770 N VAL A 47 -9.171 -23.112 -2.342 1.00 0.00 N ATOM 771 CA VAL A 47 -9.126 -24.034 -3.480 1.00 0.00 C ATOM 772 C VAL A 47 -7.933 -23.777 -4.415 1.00 0.00 C ATOM 773 O VAL A 47 -7.512 -24.663 -5.154 1.00 0.00 O ATOM 774 CB VAL A 47 -10.490 -23.963 -4.258 1.00 0.00 C ATOM 775 CG1 VAL A 47 -10.626 -22.645 -5.047 1.00 0.00 C ATOM 776 CG2 VAL A 47 -10.673 -25.172 -5.183 1.00 0.00 C ATOM 0 H VAL A 47 -10.052 -22.604 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.979 -25.041 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.284 -23.988 -3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.581 -22.632 -5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.579 -21.802 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.814 -22.568 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.626 -25.090 -5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.862 -25.199 -5.911 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.661 -26.088 -4.592 1.00 0.00 H new ATOM 786 N GLU A 48 -7.370 -22.577 -4.375 1.00 0.00 N ATOM 787 CA GLU A 48 -6.209 -22.256 -5.203 1.00 0.00 C ATOM 788 C GLU A 48 -4.872 -22.488 -4.483 1.00 0.00 C ATOM 789 O GLU A 48 -3.853 -21.888 -4.833 1.00 0.00 O ATOM 790 CB GLU A 48 -6.309 -20.834 -5.756 1.00 0.00 C ATOM 791 CG GLU A 48 -6.349 -19.729 -4.726 1.00 0.00 C ATOM 792 CD GLU A 48 -6.376 -18.362 -5.384 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.409 -17.352 -4.660 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.353 -18.299 -6.641 1.00 0.00 O ATOM 0 H GLU A 48 -7.694 -21.812 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.222 -22.952 -6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.458 -20.660 -6.415 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.207 -20.765 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.230 -19.849 -4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.478 -19.804 -4.075 1.00 0.00 H new ATOM 801 N VAL A 49 -4.872 -23.376 -3.499 1.00 0.00 N ATOM 802 CA VAL A 49 -3.640 -23.789 -2.822 1.00 0.00 C ATOM 803 C VAL A 49 -2.682 -24.286 -3.918 1.00 0.00 C ATOM 804 O VAL A 49 -3.108 -24.969 -4.852 1.00 0.00 O ATOM 805 CB VAL A 49 -3.933 -24.893 -1.733 1.00 0.00 C ATOM 806 CG1 VAL A 49 -4.746 -26.070 -2.315 1.00 0.00 C ATOM 807 CG2 VAL A 49 -2.632 -25.417 -1.103 1.00 0.00 C ATOM 0 H VAL A 49 -5.715 -23.830 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.188 -22.959 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.530 -24.416 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.927 -26.809 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.699 -25.702 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.186 -26.532 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.869 -26.176 -0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.003 -25.854 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.101 -24.593 -0.626 1.00 0.00 H new ATOM 817 N GLU A 50 -1.411 -23.895 -3.807 1.00 0.00 N ATOM 818 CA GLU A 50 -0.340 -24.171 -4.799 1.00 0.00 C ATOM 819 C GLU A 50 -0.531 -23.388 -6.115 1.00 0.00 C ATOM 820 O GLU A 50 0.423 -22.815 -6.642 1.00 0.00 O ATOM 821 CB GLU A 50 -0.175 -25.679 -5.076 1.00 0.00 C ATOM 822 CG GLU A 50 1.104 -26.016 -5.841 1.00 0.00 C ATOM 823 CD GLU A 50 1.233 -27.505 -6.134 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.305 -28.303 -5.175 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.274 -27.875 -7.329 1.00 0.00 O ATOM 0 H GLU A 50 -1.076 -23.361 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 50 0.583 -23.815 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.176 -26.218 -4.128 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -1.035 -26.033 -5.645 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.119 -25.462 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.967 -25.687 -5.262 1.00 0.00 H new ATOM 832 N LYS A 51 -1.757 -23.333 -6.624 1.00 0.00 N ATOM 833 CA LYS A 51 -2.090 -22.568 -7.835 1.00 0.00 C ATOM 834 C LYS A 51 -1.768 -21.090 -7.626 1.00 0.00 C ATOM 835 O LYS A 51 -1.387 -20.399 -8.558 1.00 0.00 O ATOM 836 CB LYS A 51 -3.585 -22.739 -8.155 1.00 0.00 C ATOM 837 CG LYS A 51 -4.113 -21.827 -9.273 1.00 0.00 C ATOM 838 CD LYS A 51 -5.639 -21.859 -9.346 1.00 0.00 C ATOM 839 CE LYS A 51 -6.202 -20.572 -9.971 1.00 0.00 C ATOM 840 NZ LYS A 51 -5.863 -19.328 -9.170 1.00 0.00 N ATOM 0 H LYS A 51 -2.555 -23.817 -6.212 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.497 -22.941 -8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.766 -23.777 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.160 -22.549 -7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.777 -20.805 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.695 -22.142 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.958 -22.720 -9.934 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.049 -21.988 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.811 -20.464 -10.983 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.285 -20.659 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.404 -18.520 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.107 -19.481 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.845 -19.129 -9.251 1.00 0.00 H new ATOM 854 N VAL A 52 -1.919 -20.617 -6.399 1.00 0.00 N ATOM 855 CA VAL A 52 -1.623 -19.225 -6.050 1.00 0.00 C ATOM 856 C VAL A 52 -0.108 -18.924 -6.101 1.00 0.00 C ATOM 857 O VAL A 52 0.286 -17.768 -6.088 1.00 0.00 O ATOM 858 CB VAL A 52 -2.244 -18.882 -4.639 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.415 -19.480 -3.481 1.00 0.00 C ATOM 860 CG2 VAL A 52 -2.416 -17.373 -4.457 1.00 0.00 C ATOM 0 H VAL A 52 -2.249 -21.180 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.085 -18.579 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.231 -19.343 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.878 -19.219 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.379 -20.565 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.402 -19.078 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.846 -17.172 -3.476 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.445 -16.884 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.080 -16.987 -5.230 1.00 0.00 H new ATOM 870 N HIS A 53 0.714 -19.975 -6.164 1.00 0.00 N ATOM 871 CA HIS A 53 2.194 -19.904 -6.178 1.00 0.00 C ATOM 872 C HIS A 53 2.825 -18.689 -5.480 1.00 0.00 C ATOM 873 O HIS A 53 3.110 -17.650 -6.093 1.00 0.00 O ATOM 874 CB HIS A 53 2.764 -20.071 -7.599 1.00 0.00 C ATOM 875 CG HIS A 53 1.928 -19.463 -8.684 1.00 0.00 C ATOM 876 ND1 HIS A 53 1.406 -20.172 -9.736 1.00 0.00 N ATOM 877 CD2 HIS A 53 1.528 -18.179 -8.891 1.00 0.00 C ATOM 878 CE1 HIS A 53 0.746 -19.328 -10.521 1.00 0.00 C ATOM 879 NE2 HIS A 53 0.796 -18.095 -10.062 1.00 0.00 N ATOM 0 H HIS A 53 0.366 -20.933 -6.208 1.00 0.00 H new ATOM 0 HA HIS A 53 2.487 -20.755 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.758 -19.625 -7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.885 -21.135 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.749 -17.348 -8.238 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.231 -19.618 -11.425 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.385 -17.260 -10.479 1.00 0.00 H new ATOM 887 N LEU A 54 3.042 -18.866 -4.180 1.00 0.00 N ATOM 888 CA LEU A 54 3.552 -17.830 -3.272 1.00 0.00 C ATOM 889 C LEU A 54 4.638 -16.903 -3.807 1.00 0.00 C ATOM 890 O LEU A 54 4.577 -15.718 -3.561 1.00 0.00 O ATOM 891 CB LEU A 54 4.082 -18.492 -1.993 1.00 0.00 C ATOM 892 CG LEU A 54 3.121 -18.515 -0.792 1.00 0.00 C ATOM 893 CD1 LEU A 54 1.863 -19.346 -1.074 1.00 0.00 C ATOM 894 CD2 LEU A 54 3.842 -19.081 0.425 1.00 0.00 C ATOM 0 H LEU A 54 2.865 -19.755 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 54 2.688 -17.187 -3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.360 -19.519 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.994 -17.976 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 54 2.804 -17.489 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.215 -19.333 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.331 -18.923 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.149 -20.374 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.161 -19.097 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.178 -20.095 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.703 -18.456 0.661 1.00 0.00 H new ATOM 906 N GLU A 55 5.619 -17.413 -4.538 1.00 0.00 N ATOM 907 CA GLU A 55 6.682 -16.544 -5.054 1.00 0.00 C ATOM 908 C GLU A 55 6.123 -15.419 -5.918 1.00 0.00 C ATOM 909 O GLU A 55 6.422 -14.238 -5.712 1.00 0.00 O ATOM 910 CB GLU A 55 7.655 -17.335 -5.922 1.00 0.00 C ATOM 911 CG GLU A 55 8.840 -17.906 -5.185 1.00 0.00 C ATOM 912 CD GLU A 55 9.901 -18.394 -6.157 1.00 0.00 C ATOM 913 OE1 GLU A 55 10.262 -19.585 -6.112 1.00 0.00 O ATOM 914 OE2 GLU A 55 10.365 -17.567 -6.983 1.00 0.00 O ATOM 0 H GLU A 55 5.707 -18.398 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 55 7.186 -16.129 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.113 -18.152 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.019 -16.686 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.265 -17.147 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.516 -18.731 -4.551 1.00 0.00 H new ATOM 921 N LYS A 56 5.314 -15.791 -6.901 1.00 0.00 N ATOM 922 CA LYS A 56 4.758 -14.810 -7.826 1.00 0.00 C ATOM 923 C LYS A 56 3.767 -13.952 -7.088 1.00 0.00 C ATOM 924 O LYS A 56 3.716 -12.757 -7.299 1.00 0.00 O ATOM 925 CB LYS A 56 4.056 -15.485 -9.001 1.00 0.00 C ATOM 926 CG LYS A 56 4.968 -16.339 -9.864 1.00 0.00 C ATOM 927 CD LYS A 56 4.198 -16.862 -11.062 1.00 0.00 C ATOM 928 CE LYS A 56 5.027 -17.826 -11.887 1.00 0.00 C ATOM 929 NZ LYS A 56 4.207 -18.355 -13.028 1.00 0.00 N ATOM 0 H LYS A 56 5.030 -16.754 -7.078 1.00 0.00 H new ATOM 0 HA LYS A 56 5.576 -14.206 -8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.249 -16.109 -8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.597 -14.718 -9.625 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.823 -15.752 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.361 -17.172 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.291 -17.362 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.885 -16.025 -11.686 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.915 -17.322 -12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.372 -18.650 -11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.780 -19.016 -13.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.373 -18.852 -12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.899 -17.565 -13.630 1.00 0.00 H new ATOM 943 N LYS A 57 2.986 -14.565 -6.213 1.00 0.00 N ATOM 944 CA LYS A 57 1.992 -13.818 -5.457 1.00 0.00 C ATOM 945 C LYS A 57 2.648 -12.720 -4.639 1.00 0.00 C ATOM 946 O LYS A 57 2.230 -11.576 -4.709 1.00 0.00 O ATOM 947 CB LYS A 57 1.191 -14.758 -4.554 1.00 0.00 C ATOM 948 CG LYS A 57 0.020 -14.094 -3.856 1.00 0.00 C ATOM 949 CD LYS A 57 -1.040 -13.598 -4.838 1.00 0.00 C ATOM 950 CE LYS A 57 -1.296 -12.099 -4.683 1.00 0.00 C ATOM 951 NZ LYS A 57 -1.843 -11.738 -3.328 1.00 0.00 N ATOM 0 H LYS A 57 3.019 -15.564 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 57 1.307 -13.349 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.820 -15.590 -5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.858 -15.178 -3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.434 -14.801 -3.162 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.383 -13.254 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.718 -13.809 -5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.969 -14.145 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.365 -11.557 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.997 -11.773 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.233 -10.774 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.594 -12.408 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.080 -11.782 -2.623 1.00 0.00 H new ATOM 965 N LEU A 58 3.680 -13.062 -3.883 1.00 0.00 N ATOM 966 CA LEU A 58 4.393 -12.074 -3.078 1.00 0.00 C ATOM 967 C LEU A 58 5.021 -11.037 -3.993 1.00 0.00 C ATOM 968 O LEU A 58 4.935 -9.839 -3.746 1.00 0.00 O ATOM 969 CB LEU A 58 5.481 -12.741 -2.230 1.00 0.00 C ATOM 970 CG LEU A 58 5.094 -13.072 -0.776 1.00 0.00 C ATOM 971 CD1 LEU A 58 3.920 -14.052 -0.656 1.00 0.00 C ATOM 972 CD2 LEU A 58 6.311 -13.651 -0.055 1.00 0.00 C ATOM 0 H LEU A 58 4.044 -14.012 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 58 3.682 -11.594 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.784 -13.664 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.353 -12.087 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 58 4.766 -12.139 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.706 -14.236 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.039 -13.625 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.179 -14.992 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.045 -13.888 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.637 -14.558 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.120 -12.920 -0.062 1.00 0.00 H new ATOM 984 N ARG A 59 5.650 -11.492 -5.067 1.00 0.00 N ATOM 985 CA ARG A 59 6.308 -10.569 -5.994 1.00 0.00 C ATOM 986 C ARG A 59 5.325 -9.526 -6.530 1.00 0.00 C ATOM 987 O ARG A 59 5.630 -8.332 -6.576 1.00 0.00 O ATOM 988 CB ARG A 59 6.906 -11.384 -7.140 1.00 0.00 C ATOM 989 CG ARG A 59 7.954 -10.683 -7.978 1.00 0.00 C ATOM 990 CD ARG A 59 8.359 -11.582 -9.162 1.00 0.00 C ATOM 991 NE ARG A 59 8.616 -12.980 -8.749 1.00 0.00 N ATOM 992 CZ ARG A 59 9.766 -13.465 -8.288 1.00 0.00 C ATOM 993 NH1 ARG A 59 10.839 -12.725 -8.157 1.00 0.00 N ATOM 994 NH2 ARG A 59 9.832 -14.724 -7.952 1.00 0.00 N ATOM 0 H ARG A 59 5.721 -12.478 -5.320 1.00 0.00 H new ATOM 0 HA ARG A 59 7.095 -10.027 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.348 -12.289 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.095 -11.699 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.564 -9.734 -8.346 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.828 -10.453 -7.368 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.568 -11.568 -9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.254 -11.175 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 59 7.837 -13.634 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.812 -11.738 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.701 -13.136 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.010 -15.320 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.706 -15.112 -7.597 1.00 0.00 H new ATOM 1008 N ASP A 60 4.157 -9.985 -6.941 1.00 0.00 N ATOM 1009 CA ASP A 60 3.152 -9.125 -7.556 1.00 0.00 C ATOM 1010 C ASP A 60 2.357 -8.283 -6.553 1.00 0.00 C ATOM 1011 O ASP A 60 1.977 -7.158 -6.864 1.00 0.00 O ATOM 1012 CB ASP A 60 2.191 -9.980 -8.390 1.00 0.00 C ATOM 1013 CG ASP A 60 2.883 -10.644 -9.587 1.00 0.00 C ATOM 1014 OD1 ASP A 60 3.969 -10.169 -10.002 1.00 0.00 O ATOM 1015 OD2 ASP A 60 2.335 -11.635 -10.119 1.00 0.00 O ATOM 0 H ASP A 60 3.875 -10.962 -6.860 1.00 0.00 H new ATOM 0 HA ASP A 60 3.692 -8.418 -8.186 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.751 -10.750 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.372 -9.356 -8.748 1.00 0.00 H new ATOM 1020 N GLU A 61 2.108 -8.792 -5.356 1.00 0.00 N ATOM 1021 CA GLU A 61 1.353 -8.025 -4.354 1.00 0.00 C ATOM 1022 C GLU A 61 2.238 -6.904 -3.777 1.00 0.00 C ATOM 1023 O GLU A 61 1.805 -5.750 -3.627 1.00 0.00 O ATOM 1024 CB GLU A 61 0.793 -8.963 -3.268 1.00 0.00 C ATOM 1025 CG GLU A 61 1.807 -9.437 -2.226 1.00 0.00 C ATOM 1026 CD GLU A 61 1.353 -10.643 -1.422 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.129 -11.059 -0.536 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.249 -11.184 -1.667 1.00 0.00 O ATOM 0 H GLU A 61 2.408 -9.717 -5.050 1.00 0.00 H new ATOM 0 HA GLU A 61 0.494 -7.548 -4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.020 -8.451 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.361 -9.838 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.742 -9.681 -2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.019 -8.616 -1.541 1.00 0.00 H new ATOM 1035 N ILE A 62 3.496 -7.222 -3.494 1.00 0.00 N ATOM 1036 CA ILE A 62 4.452 -6.214 -3.071 1.00 0.00 C ATOM 1037 C ILE A 62 4.623 -5.232 -4.230 1.00 0.00 C ATOM 1038 O ILE A 62 4.759 -4.041 -4.002 1.00 0.00 O ATOM 1039 CB ILE A 62 5.814 -6.843 -2.647 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.602 -7.826 -1.477 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.796 -5.757 -2.171 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.833 -8.655 -1.115 1.00 0.00 C ATOM 0 H ILE A 62 3.874 -8.168 -3.550 1.00 0.00 H new ATOM 0 HA ILE A 62 4.080 -5.696 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 62 6.222 -7.358 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.288 -7.263 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.786 -8.502 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.739 -6.221 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.974 -5.048 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.371 -5.232 -1.315 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.594 -9.318 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.138 -9.249 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.647 -7.990 -0.826 1.00 0.00 H new ATOM 1054 N ASN A 63 4.587 -5.703 -5.475 1.00 0.00 N ATOM 1055 CA ASN A 63 4.662 -4.779 -6.617 1.00 0.00 C ATOM 1056 C ASN A 63 3.445 -3.844 -6.646 1.00 0.00 C ATOM 1057 O ASN A 63 3.585 -2.656 -6.919 1.00 0.00 O ATOM 1058 CB ASN A 63 4.750 -5.529 -7.948 1.00 0.00 C ATOM 1059 CG ASN A 63 4.799 -4.595 -9.126 1.00 0.00 C ATOM 1060 OD1 ASN A 63 5.799 -3.922 -9.360 1.00 0.00 O ATOM 1061 ND2 ASN A 63 3.728 -4.535 -9.867 1.00 0.00 N ATOM 0 H ASN A 63 4.509 -6.690 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 63 5.570 -4.191 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.639 -6.159 -7.949 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.890 -6.191 -8.047 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.701 -3.912 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.917 -5.111 -9.639 1.00 0.00 H new ATOM 1068 N LEU A 64 2.266 -4.370 -6.352 1.00 0.00 N ATOM 1069 CA LEU A 64 1.043 -3.564 -6.293 1.00 0.00 C ATOM 1070 C LEU A 64 1.174 -2.515 -5.191 1.00 0.00 C ATOM 1071 O LEU A 64 0.881 -1.332 -5.404 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.159 -4.473 -6.004 1.00 0.00 C ATOM 1073 CG LEU A 64 -1.517 -3.802 -5.753 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.088 -3.162 -7.020 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.472 -4.859 -5.214 1.00 0.00 C ATOM 0 H LEU A 64 2.124 -5.359 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 64 0.893 -3.063 -7.249 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.273 -5.156 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.082 -5.080 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.386 -2.996 -5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.049 -2.700 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.398 -2.402 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.225 -3.927 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.446 -4.408 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.578 -5.660 -5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.076 -5.267 -4.284 1.00 0.00 H new ATOM 1087 N ALA A 65 1.630 -2.936 -4.021 1.00 0.00 N ATOM 1088 CA ALA A 65 1.820 -2.001 -2.914 1.00 0.00 C ATOM 1089 C ALA A 65 2.932 -0.976 -3.240 1.00 0.00 C ATOM 1090 O ALA A 65 2.884 0.172 -2.812 1.00 0.00 O ATOM 1091 CB ALA A 65 2.140 -2.766 -1.663 1.00 0.00 C ATOM 0 H ALA A 65 1.873 -3.904 -3.811 1.00 0.00 H new ATOM 0 HA ALA A 65 0.898 -1.441 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.282 -2.069 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.318 -3.443 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.053 -3.342 -1.812 1.00 0.00 H new ATOM 1097 N LYS A 66 3.925 -1.383 -4.017 1.00 0.00 N ATOM 1098 CA LYS A 66 4.987 -0.470 -4.466 1.00 0.00 C ATOM 1099 C LYS A 66 4.386 0.609 -5.364 1.00 0.00 C ATOM 1100 O LYS A 66 4.821 1.760 -5.333 1.00 0.00 O ATOM 1101 CB LYS A 66 6.089 -1.264 -5.198 1.00 0.00 C ATOM 1102 CG LYS A 66 6.560 -0.694 -6.544 1.00 0.00 C ATOM 1103 CD LYS A 66 7.430 -1.697 -7.271 1.00 0.00 C ATOM 1104 CE LYS A 66 7.701 -1.238 -8.698 1.00 0.00 C ATOM 1105 NZ LYS A 66 8.214 -2.377 -9.529 1.00 0.00 N ATOM 0 H LYS A 66 4.025 -2.340 -4.355 1.00 0.00 H new ATOM 0 HA LYS A 66 5.444 0.018 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.953 -1.339 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.726 -2.278 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.697 -0.439 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.118 0.228 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.373 -1.822 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.939 -2.670 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.786 -0.842 -9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.429 -0.427 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.473 -2.028 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.051 -2.791 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.474 -3.102 -9.619 1.00 0.00 H new ATOM 1119 N GLN A 67 3.384 0.246 -6.155 1.00 0.00 N ATOM 1120 CA GLN A 67 2.720 1.211 -7.026 1.00 0.00 C ATOM 1121 C GLN A 67 1.936 2.171 -6.141 1.00 0.00 C ATOM 1122 O GLN A 67 2.023 3.382 -6.325 1.00 0.00 O ATOM 1123 CB GLN A 67 1.815 0.506 -8.040 1.00 0.00 C ATOM 1124 CG GLN A 67 2.609 -0.283 -9.094 1.00 0.00 C ATOM 1125 CD GLN A 67 1.755 -1.203 -9.959 1.00 0.00 C ATOM 1126 OE1 GLN A 67 2.263 -1.848 -10.861 1.00 0.00 O ATOM 1127 NE2 GLN A 67 0.474 -1.272 -9.689 1.00 0.00 N ATOM 0 H GLN A 67 3.014 -0.703 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 67 3.455 1.766 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.145 -0.173 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.191 1.246 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 67 3.134 0.421 -9.740 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.369 -0.879 -8.589 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.083 -0.718 -8.927 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.132 -1.879 -10.241 1.00 0.00 H new ATOM 1136 N GLU A 68 1.206 1.646 -5.163 1.00 0.00 N ATOM 1137 CA GLU A 68 0.573 2.500 -4.155 1.00 0.00 C ATOM 1138 C GLU A 68 1.601 3.437 -3.483 1.00 0.00 C ATOM 1139 O GLU A 68 1.392 4.644 -3.396 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.077 1.624 -3.081 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.007 2.373 -2.181 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.411 1.568 -0.965 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.633 2.177 0.106 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -1.515 0.330 -1.077 1.00 0.00 O ATOM 0 H GLU A 68 1.037 0.647 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.178 3.112 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.625 0.816 -3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.705 1.162 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.529 3.298 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.900 2.654 -2.739 1.00 0.00 H new ATOM 1151 N ALA A 69 2.715 2.884 -3.021 1.00 0.00 N ATOM 1152 CA ALA A 69 3.744 3.676 -2.342 1.00 0.00 C ATOM 1153 C ALA A 69 4.305 4.801 -3.225 1.00 0.00 C ATOM 1154 O ALA A 69 4.545 5.919 -2.754 1.00 0.00 O ATOM 1155 CB ALA A 69 4.877 2.756 -1.872 1.00 0.00 C ATOM 0 H ALA A 69 2.933 1.891 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 69 3.273 4.155 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.641 3.348 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.479 2.012 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.318 2.253 -2.733 1.00 0.00 H new ATOM 1161 N GLN A 70 4.527 4.520 -4.502 1.00 0.00 N ATOM 1162 CA GLN A 70 5.041 5.544 -5.408 1.00 0.00 C ATOM 1163 C GLN A 70 4.033 6.671 -5.512 1.00 0.00 C ATOM 1164 O GLN A 70 4.399 7.839 -5.469 1.00 0.00 O ATOM 1165 CB GLN A 70 5.338 4.969 -6.797 1.00 0.00 C ATOM 1166 CG GLN A 70 6.036 5.976 -7.725 1.00 0.00 C ATOM 1167 CD GLN A 70 7.341 6.495 -7.144 1.00 0.00 C ATOM 1168 OE1 GLN A 70 8.085 5.753 -6.492 1.00 0.00 O ATOM 1169 NE2 GLN A 70 7.624 7.751 -7.356 1.00 0.00 N ATOM 0 H GLN A 70 4.364 3.609 -4.931 1.00 0.00 H new ATOM 0 HA GLN A 70 5.979 5.923 -5.004 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.966 4.084 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.405 4.645 -7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.233 5.503 -8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.367 6.815 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.986 8.333 -7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.483 8.151 -6.979 1.00 0.00 H new ATOM 1178 N ARG A 71 2.762 6.322 -5.616 1.00 0.00 N ATOM 1179 CA ARG A 71 1.714 7.332 -5.674 1.00 0.00 C ATOM 1180 C ARG A 71 1.700 8.146 -4.393 1.00 0.00 C ATOM 1181 O ARG A 71 1.402 9.322 -4.421 1.00 0.00 O ATOM 1182 CB ARG A 71 0.361 6.673 -5.888 1.00 0.00 C ATOM 1183 CG ARG A 71 0.173 6.137 -7.277 1.00 0.00 C ATOM 1184 CD ARG A 71 -1.185 5.484 -7.421 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.597 5.471 -8.828 1.00 0.00 N ATOM 1186 CZ ARG A 71 -1.377 4.507 -9.704 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -0.727 3.410 -9.399 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -1.825 4.656 -10.916 1.00 0.00 N ATOM 0 H ARG A 71 2.431 5.358 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 71 1.917 7.998 -6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.245 5.858 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.425 7.397 -5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.271 6.946 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.956 5.412 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.149 4.465 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.921 6.024 -6.825 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.105 6.289 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.369 3.276 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.580 2.691 -10.107 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.333 5.503 -11.171 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.668 3.926 -11.611 1.00 0.00 H new ATOM 1202 N LEU A 72 2.045 7.533 -3.268 1.00 0.00 N ATOM 1203 CA LEU A 72 2.106 8.255 -2.006 1.00 0.00 C ATOM 1204 C LEU A 72 3.369 9.122 -1.971 1.00 0.00 C ATOM 1205 O LEU A 72 3.404 10.131 -1.270 1.00 0.00 O ATOM 1206 CB LEU A 72 2.005 7.275 -0.836 1.00 0.00 C ATOM 1207 CG LEU A 72 0.573 6.703 -0.765 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.535 5.302 -0.236 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.328 7.589 0.084 1.00 0.00 C ATOM 0 H LEU A 72 2.285 6.544 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 72 1.257 8.932 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.725 6.466 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.253 7.780 0.098 1.00 0.00 H new ATOM 0 HG LEU A 72 0.205 6.682 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.497 4.951 -0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.122 4.652 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.952 5.282 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.331 7.163 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.073 7.652 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.372 8.587 -0.352 1.00 0.00 H new ATOM 1221 N LYS A 73 4.390 8.775 -2.753 1.00 0.00 N ATOM 1222 CA LYS A 73 5.543 9.687 -2.906 1.00 0.00 C ATOM 1223 C LYS A 73 5.128 10.879 -3.770 1.00 0.00 C ATOM 1224 O LYS A 73 5.403 12.026 -3.407 1.00 0.00 O ATOM 1225 CB LYS A 73 6.763 9.030 -3.562 1.00 0.00 C ATOM 1226 CG LYS A 73 7.352 7.875 -2.800 1.00 0.00 C ATOM 1227 CD LYS A 73 8.650 7.424 -3.450 1.00 0.00 C ATOM 1228 CE LYS A 73 9.041 6.023 -3.007 1.00 0.00 C ATOM 1229 NZ LYS A 73 8.124 5.003 -3.622 1.00 0.00 N ATOM 0 H LYS A 73 4.453 7.902 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 73 5.832 9.988 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.479 8.683 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.535 9.787 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.537 8.168 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.643 7.047 -2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.541 7.446 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.447 8.122 -3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.071 5.817 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.996 5.953 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.543 4.056 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.204 5.026 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.990 5.220 -4.630 1.00 0.00 H new ATOM 1243 N GLU A 74 4.460 10.607 -4.892 1.00 0.00 N ATOM 1244 CA GLU A 74 4.007 11.687 -5.796 1.00 0.00 C ATOM 1245 C GLU A 74 3.154 12.658 -4.988 1.00 0.00 C ATOM 1246 O GLU A 74 3.268 13.877 -5.083 1.00 0.00 O ATOM 1247 CB GLU A 74 3.126 11.148 -6.943 1.00 0.00 C ATOM 1248 CG GLU A 74 3.755 10.112 -7.874 1.00 0.00 C ATOM 1249 CD GLU A 74 5.000 10.604 -8.573 1.00 0.00 C ATOM 1250 OE1 GLU A 74 4.969 11.714 -9.150 1.00 0.00 O ATOM 1251 OE2 GLU A 74 6.017 9.866 -8.555 1.00 0.00 O ATOM 0 H GLU A 74 4.219 9.665 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 74 4.891 12.161 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.230 10.709 -6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.803 11.995 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.000 9.220 -7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.021 9.816 -8.623 1.00 0.00 H new ATOM 1258 N LEU A 75 2.295 12.078 -4.170 1.00 0.00 N ATOM 1259 CA LEU A 75 1.404 12.823 -3.309 1.00 0.00 C ATOM 1260 C LEU A 75 2.162 13.640 -2.253 1.00 0.00 C ATOM 1261 O LEU A 75 1.868 14.828 -2.055 1.00 0.00 O ATOM 1262 CB LEU A 75 0.474 11.813 -2.642 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.691 12.314 -1.806 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.763 12.953 -2.633 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.262 11.121 -1.055 1.00 0.00 C ATOM 0 H LEU A 75 2.198 11.066 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 75 0.843 13.545 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.064 11.177 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.086 11.177 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.328 13.083 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.570 13.292 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.348 13.805 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.153 12.228 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.103 11.445 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.601 10.370 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.491 10.691 -0.415 1.00 0.00 H new ATOM 1277 N ARG A 76 3.137 13.027 -1.579 1.00 0.00 N ATOM 1278 CA ARG A 76 3.875 13.729 -0.516 1.00 0.00 C ATOM 1279 C ARG A 76 4.727 14.867 -1.035 1.00 0.00 C ATOM 1280 O ARG A 76 5.051 15.775 -0.267 1.00 0.00 O ATOM 1281 CB ARG A 76 4.722 12.773 0.350 1.00 0.00 C ATOM 1282 CG ARG A 76 6.090 12.353 -0.224 1.00 0.00 C ATOM 1283 CD ARG A 76 7.259 12.873 0.623 1.00 0.00 C ATOM 1284 NE ARG A 76 7.447 14.326 0.491 1.00 0.00 N ATOM 1285 CZ ARG A 76 8.270 14.927 -0.360 1.00 0.00 C ATOM 1286 NH1 ARG A 76 9.031 14.262 -1.195 1.00 0.00 N ATOM 1287 NH2 ARG A 76 8.323 16.229 -0.371 1.00 0.00 N ATOM 0 H ARG A 76 3.433 12.065 -1.742 1.00 0.00 H new ATOM 0 HA ARG A 76 3.104 14.164 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.889 13.247 1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.138 11.871 0.533 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.140 11.266 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.186 12.730 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.083 12.626 1.670 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.175 12.363 0.325 1.00 0.00 H new ATOM 0 HE ARG A 76 6.897 14.924 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.005 13.242 -1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.649 14.764 -1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.738 16.769 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.949 16.708 -1.018 1.00 0.00 H new ATOM 1301 N GLU A 77 5.087 14.848 -2.313 1.00 0.00 N ATOM 1302 CA GLU A 77 5.836 15.976 -2.871 1.00 0.00 C ATOM 1303 C GLU A 77 4.889 17.020 -3.454 1.00 0.00 C ATOM 1304 O GLU A 77 5.312 17.996 -4.081 1.00 0.00 O ATOM 1305 CB GLU A 77 6.961 15.539 -3.816 1.00 0.00 C ATOM 1306 CG GLU A 77 6.588 14.870 -5.111 1.00 0.00 C ATOM 1307 CD GLU A 77 7.844 14.332 -5.788 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.472 13.403 -5.219 1.00 0.00 O ATOM 1309 OE2 GLU A 77 8.225 14.847 -6.861 1.00 0.00 O ATOM 0 H GLU A 77 4.883 14.092 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 77 6.363 16.467 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.554 16.421 -4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.611 14.859 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.887 14.057 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.084 15.580 -5.767 1.00 0.00 H new ATOM 1316 N GLY A 78 3.601 16.840 -3.183 1.00 0.00 N ATOM 1317 CA GLY A 78 2.637 17.888 -3.448 1.00 0.00 C ATOM 1318 C GLY A 78 2.771 18.902 -2.318 1.00 0.00 C ATOM 1319 O GLY A 78 3.670 18.799 -1.486 1.00 0.00 O ATOM 0 H GLY A 78 3.209 15.987 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.830 18.356 -4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.626 17.483 -3.487 1.00 0.00 H new ATOM 1323 N THR A 79 1.887 19.884 -2.260 1.00 0.00 N ATOM 1324 CA THR A 79 1.939 20.891 -1.195 1.00 0.00 C ATOM 1325 C THR A 79 0.542 20.968 -0.587 1.00 0.00 C ATOM 1326 O THR A 79 -0.271 20.093 -0.840 1.00 0.00 O ATOM 1327 CB THR A 79 2.490 22.256 -1.725 1.00 0.00 C ATOM 1328 OG1 THR A 79 2.722 23.142 -0.623 1.00 0.00 O ATOM 1329 CG2 THR A 79 1.544 22.931 -2.713 1.00 0.00 C ATOM 0 H THR A 79 1.127 20.012 -2.929 1.00 0.00 H new ATOM 0 HA THR A 79 2.644 20.613 -0.411 1.00 0.00 H new ATOM 0 HB THR A 79 3.419 22.040 -2.252 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.069 23.996 -0.957 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.978 23.873 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.389 22.278 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.588 23.124 -2.227 1.00 0.00 H new ATOM 1337 N GLU A 80 0.253 21.986 0.217 1.00 0.00 N ATOM 1338 CA GLU A 80 -1.051 22.103 0.896 1.00 0.00 C ATOM 1339 C GLU A 80 -2.262 22.286 -0.034 1.00 0.00 C ATOM 1340 O GLU A 80 -3.394 22.426 0.422 1.00 0.00 O ATOM 1341 CB GLU A 80 -1.023 23.238 1.925 1.00 0.00 C ATOM 1342 CG GLU A 80 -0.909 24.661 1.380 1.00 0.00 C ATOM 1343 CD GLU A 80 -1.130 25.703 2.485 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -0.690 25.474 3.636 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.754 26.756 2.216 1.00 0.00 O ATOM 0 H GLU A 80 0.900 22.748 0.420 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.193 21.138 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.932 23.176 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.184 23.064 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.076 24.804 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.642 24.808 0.587 1.00 0.00 H new ATOM 1352 N ASN A 81 -2.021 22.273 -1.333 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.063 22.357 -2.337 1.00 0.00 C ATOM 1354 C ASN A 81 -2.456 21.706 -3.571 1.00 0.00 C ATOM 1355 O ASN A 81 -1.248 21.515 -3.620 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.434 23.813 -2.629 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.324 24.562 -3.307 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -2.260 24.604 -4.523 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.459 25.164 -2.538 1.00 0.00 N ATOM 0 H ASN A 81 -1.082 22.203 -1.724 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.982 21.869 -2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.324 23.839 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.689 24.314 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.692 25.695 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.549 25.103 -1.524 1.00 0.00 H new ATOM 1366 N GLU A 82 -3.273 21.383 -4.559 1.00 0.00 N ATOM 1367 CA GLU A 82 -2.784 20.754 -5.789 1.00 0.00 C ATOM 1368 C GLU A 82 -3.110 21.626 -7.010 1.00 0.00 C ATOM 1369 O GLU A 82 -3.471 21.149 -8.087 1.00 0.00 O ATOM 1370 CB GLU A 82 -3.366 19.344 -5.925 1.00 0.00 C ATOM 1371 CG GLU A 82 -4.883 19.269 -5.869 1.00 0.00 C ATOM 1372 CD GLU A 82 -5.406 17.990 -6.488 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -4.697 16.961 -6.436 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -6.522 18.019 -7.047 1.00 0.00 O ATOM 0 H GLU A 82 -4.280 21.543 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.699 20.664 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.031 18.918 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.956 18.720 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.212 19.332 -4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.309 20.126 -6.391 1.00 0.00 H new ATOM 1479 N TYR A 88 -2.903 16.085 -10.202 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.812 14.647 -10.318 1.00 0.00 C ATOM 1481 C TYR A 88 -2.546 14.035 -8.948 1.00 0.00 C ATOM 1482 O TYR A 88 -2.673 12.844 -8.788 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.707 14.253 -11.307 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.300 14.245 -10.729 1.00 0.00 C ATOM 1485 CD1 TYR A 88 0.381 15.447 -10.431 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.366 13.023 -10.487 1.00 0.00 C ATOM 1487 CE1 TYR A 88 1.704 15.422 -9.902 1.00 0.00 C ATOM 1488 CE2 TYR A 88 1.692 13.000 -9.970 1.00 0.00 C ATOM 1489 CZ TYR A 88 2.347 14.197 -9.683 1.00 0.00 C ATOM 1490 OH TYR A 88 3.631 14.192 -9.196 1.00 0.00 O ATOM 0 HA TYR A 88 -3.759 14.264 -10.699 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.928 13.260 -11.699 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.733 14.942 -12.151 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.106 16.395 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.139 12.092 -10.698 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.211 16.347 -9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.190 12.057 -9.800 1.00 0.00 H new ATOM 0 HH TYR A 88 3.990 13.281 -9.229 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.167 14.837 -7.959 1.00 0.00 N ATOM 1501 CA ALA A 89 -1.774 14.266 -6.680 1.00 0.00 C ATOM 1502 C ALA A 89 -2.937 13.596 -5.930 1.00 0.00 C ATOM 1503 O ALA A 89 -2.869 12.412 -5.621 1.00 0.00 O ATOM 1504 CB ALA A 89 -1.135 15.365 -5.814 1.00 0.00 C ATOM 0 H ALA A 89 -2.124 15.855 -8.015 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.053 13.474 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.838 14.944 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.257 15.765 -6.322 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.856 16.166 -5.652 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.018 14.314 -5.656 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.119 13.709 -4.897 1.00 0.00 C ATOM 1512 C GLU A 90 -5.867 12.734 -5.797 1.00 0.00 C ATOM 1513 O GLU A 90 -6.565 11.842 -5.326 1.00 0.00 O ATOM 1514 CB GLU A 90 -6.062 14.761 -4.307 1.00 0.00 C ATOM 1515 CG GLU A 90 -5.404 15.683 -3.253 1.00 0.00 C ATOM 1516 CD GLU A 90 -4.867 14.939 -2.012 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -5.433 13.902 -1.598 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -3.862 15.415 -1.432 1.00 0.00 O ATOM 0 H GLU A 90 -4.161 15.285 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.700 13.169 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.454 15.376 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.913 14.255 -3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.583 16.225 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.133 16.426 -2.930 1.00 0.00 H new ATOM 1525 N GLU A 91 -5.688 12.875 -7.100 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.228 11.891 -8.027 1.00 0.00 C ATOM 1527 C GLU A 91 -5.466 10.586 -7.784 1.00 0.00 C ATOM 1528 O GLU A 91 -6.050 9.501 -7.770 1.00 0.00 O ATOM 1529 CB GLU A 91 -6.048 12.341 -9.475 1.00 0.00 C ATOM 1530 CG GLU A 91 -6.718 11.425 -10.483 1.00 0.00 C ATOM 1531 CD GLU A 91 -6.298 11.741 -11.903 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -6.483 12.909 -12.338 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -5.775 10.837 -12.585 1.00 0.00 O ATOM 0 H GLU A 91 -5.182 13.646 -7.535 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.298 11.763 -7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.451 13.347 -9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.983 12.398 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.469 10.389 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.800 11.519 -10.395 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.158 10.684 -7.574 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.355 9.491 -7.337 1.00 0.00 C ATOM 1542 C GLU A 92 -3.688 8.922 -5.965 1.00 0.00 C ATOM 1543 O GLU A 92 -3.478 7.751 -5.726 1.00 0.00 O ATOM 1544 CB GLU A 92 -1.850 9.770 -7.472 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.370 9.941 -8.927 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.230 8.619 -9.669 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -0.099 8.257 -10.051 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.253 7.929 -9.865 1.00 0.00 O ATOM 0 H GLU A 92 -3.638 11.562 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.602 8.755 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.607 10.673 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.297 8.951 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.073 10.579 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.409 10.455 -8.928 1.00 0.00 H new ATOM 1555 N LEU A 93 -4.239 9.735 -5.074 1.00 0.00 N ATOM 1556 CA LEU A 93 -4.691 9.246 -3.767 1.00 0.00 C ATOM 1557 C LEU A 93 -5.960 8.394 -3.967 1.00 0.00 C ATOM 1558 O LEU A 93 -6.164 7.382 -3.290 1.00 0.00 O ATOM 1559 CB LEU A 93 -4.942 10.423 -2.807 1.00 0.00 C ATOM 1560 CG LEU A 93 -5.232 10.166 -1.312 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -6.729 9.973 -1.061 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -4.451 8.976 -0.731 1.00 0.00 C ATOM 0 H LEU A 93 -4.386 10.733 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.918 8.625 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.068 11.072 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.784 10.989 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.888 11.060 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.900 9.794 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.268 10.869 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.087 9.118 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.704 8.854 0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.713 8.068 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.381 9.161 -0.828 1.00 0.00 H new ATOM 1574 N GLU A 94 -6.812 8.767 -4.908 1.00 0.00 N ATOM 1575 CA GLU A 94 -7.980 7.935 -5.208 1.00 0.00 C ATOM 1576 C GLU A 94 -7.491 6.647 -5.885 1.00 0.00 C ATOM 1577 O GLU A 94 -8.012 5.555 -5.639 1.00 0.00 O ATOM 1578 CB GLU A 94 -8.990 8.668 -6.095 1.00 0.00 C ATOM 1579 CG GLU A 94 -10.325 7.925 -6.180 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.377 8.672 -6.986 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.675 9.839 -6.654 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.919 8.079 -7.944 1.00 0.00 O ATOM 0 H GLU A 94 -6.727 9.616 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.499 7.699 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.158 9.670 -5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.576 8.784 -7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.160 6.946 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.703 7.754 -5.172 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.466 6.762 -6.716 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.880 5.583 -7.356 1.00 0.00 C ATOM 1591 C GLN A 95 -5.116 4.724 -6.322 1.00 0.00 C ATOM 1592 O GLN A 95 -4.975 3.518 -6.495 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.997 5.998 -8.538 1.00 0.00 C ATOM 1594 CG GLN A 95 -5.807 6.668 -9.673 1.00 0.00 C ATOM 1595 CD GLN A 95 -4.977 6.990 -10.906 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -4.298 6.123 -11.451 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -5.042 8.222 -11.357 1.00 0.00 N ATOM 0 H GLN A 95 -6.023 7.647 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.681 4.961 -7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.228 6.687 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.484 5.120 -8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.628 6.010 -9.959 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -6.253 7.588 -9.295 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.618 8.912 -10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.516 8.489 -12.190 1.00 0.00 H new ATOM 1606 N VAL A 96 -4.666 5.332 -5.230 1.00 0.00 N ATOM 1607 CA VAL A 96 -4.076 4.599 -4.095 1.00 0.00 C ATOM 1608 C VAL A 96 -5.197 3.802 -3.454 1.00 0.00 C ATOM 1609 O VAL A 96 -5.022 2.637 -3.080 1.00 0.00 O ATOM 1610 CB VAL A 96 -3.444 5.584 -3.043 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -3.503 5.038 -1.598 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -2.032 5.913 -3.425 1.00 0.00 C ATOM 0 H VAL A 96 -4.696 6.343 -5.098 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.274 3.949 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.045 6.493 -3.057 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.053 5.760 -0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.542 4.871 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.956 4.097 -1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.606 6.595 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.441 4.998 -3.456 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.021 6.386 -4.407 1.00 0.00 H new ATOM 1622 N ARG A 97 -6.372 4.409 -3.340 1.00 0.00 N ATOM 1623 CA ARG A 97 -7.503 3.684 -2.784 1.00 0.00 C ATOM 1624 C ARG A 97 -7.824 2.504 -3.684 1.00 0.00 C ATOM 1625 O ARG A 97 -8.228 1.477 -3.181 1.00 0.00 O ATOM 1626 CB ARG A 97 -8.733 4.580 -2.563 1.00 0.00 C ATOM 1627 CG ARG A 97 -9.876 3.877 -1.797 1.00 0.00 C ATOM 1628 CD ARG A 97 -9.475 3.538 -0.351 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.418 2.609 0.303 1.00 0.00 N ATOM 1630 CZ ARG A 97 -10.342 1.279 0.258 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -9.429 0.645 -0.423 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -11.202 0.562 0.917 1.00 0.00 N ATOM 0 H ARG A 97 -6.563 5.372 -3.616 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.225 3.322 -1.794 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.430 5.470 -2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -9.107 4.916 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.756 4.520 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -10.155 2.962 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.478 3.097 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.417 4.458 0.230 1.00 0.00 H new ATOM 0 HE ARG A 97 -11.189 3.017 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.732 1.169 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.412 -0.375 -0.427 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -11.931 1.017 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.148 -0.456 0.886 1.00 0.00 H new ATOM 1646 N GLU A 98 -7.630 2.617 -4.992 1.00 0.00 N ATOM 1647 CA GLU A 98 -7.818 1.456 -5.872 1.00 0.00 C ATOM 1648 C GLU A 98 -6.695 0.430 -5.682 1.00 0.00 C ATOM 1649 O GLU A 98 -6.973 -0.751 -5.673 1.00 0.00 O ATOM 1650 CB GLU A 98 -7.942 1.854 -7.350 1.00 0.00 C ATOM 1651 CG GLU A 98 -8.062 0.645 -8.330 1.00 0.00 C ATOM 1652 CD GLU A 98 -9.170 -0.361 -7.955 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -10.231 0.057 -7.443 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -8.983 -1.581 -8.185 1.00 0.00 O ATOM 0 H GLU A 98 -7.349 3.476 -5.465 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.762 0.995 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -8.817 2.493 -7.470 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.072 2.448 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.254 1.023 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.107 0.121 -8.363 1.00 0.00 H new ATOM 1661 N ALA A 99 -5.450 0.859 -5.500 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.348 -0.076 -5.211 1.00 0.00 C ATOM 1663 C ALA A 99 -4.745 -0.898 -3.966 1.00 0.00 C ATOM 1664 O ALA A 99 -4.686 -2.140 -3.954 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.057 0.687 -4.974 1.00 0.00 C ATOM 0 H ALA A 99 -5.172 1.839 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.178 -0.743 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.252 -0.017 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.808 1.266 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -3.183 1.361 -4.126 1.00 0.00 H new ATOM 1671 N LEU A 100 -5.181 -0.186 -2.934 1.00 0.00 N ATOM 1672 CA LEU A 100 -5.642 -0.822 -1.700 1.00 0.00 C ATOM 1673 C LEU A 100 -6.868 -1.695 -1.939 1.00 0.00 C ATOM 1674 O LEU A 100 -6.961 -2.784 -1.408 1.00 0.00 O ATOM 1675 CB LEU A 100 -5.998 0.245 -0.664 1.00 0.00 C ATOM 1676 CG LEU A 100 -4.809 0.960 -0.017 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -5.298 2.213 0.705 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -4.089 0.026 0.960 1.00 0.00 C ATOM 0 H LEU A 100 -5.226 0.833 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.830 -1.452 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.633 0.992 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.591 -0.221 0.123 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.101 1.249 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.451 2.722 1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.777 2.881 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.015 1.932 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.246 0.550 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.782 -0.287 1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.726 -0.851 0.424 1.00 0.00 H new ATOM 1690 N ARG A 101 -7.812 -1.216 -2.737 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.045 -1.960 -3.022 1.00 0.00 C ATOM 1692 C ARG A 101 -8.710 -3.234 -3.770 1.00 0.00 C ATOM 1693 O ARG A 101 -9.344 -4.260 -3.567 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.011 -1.095 -3.844 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.406 -1.685 -4.003 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.308 -0.793 -4.868 1.00 0.00 C ATOM 1697 NE ARG A 101 -12.617 0.506 -4.234 1.00 0.00 N ATOM 1698 CZ ARG A 101 -12.221 1.702 -4.670 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -11.482 1.872 -5.733 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -12.596 2.765 -4.014 1.00 0.00 N ATOM 0 H ARG A 101 -7.753 -0.311 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 101 -9.531 -2.218 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.096 -0.117 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.583 -0.934 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.333 -2.674 -4.455 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -11.859 -1.816 -3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.822 -0.616 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -13.239 -1.320 -5.075 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.184 0.485 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.178 1.065 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -11.209 2.812 -6.019 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -13.181 2.672 -3.184 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -12.304 3.689 -4.331 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.704 -3.170 -4.629 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.253 -4.338 -5.369 1.00 0.00 C ATOM 1716 C LYS A 102 -6.711 -5.331 -4.362 1.00 0.00 C ATOM 1717 O LYS A 102 -7.091 -6.482 -4.404 1.00 0.00 O ATOM 1718 CB LYS A 102 -6.191 -3.952 -6.414 1.00 0.00 C ATOM 1719 CG LYS A 102 -6.066 -4.895 -7.632 1.00 0.00 C ATOM 1720 CD LYS A 102 -5.629 -6.325 -7.281 1.00 0.00 C ATOM 1721 CE LYS A 102 -5.242 -7.097 -8.538 1.00 0.00 C ATOM 1722 NZ LYS A 102 -4.953 -8.540 -8.242 1.00 0.00 N ATOM 0 H LYS A 102 -7.182 -2.317 -4.831 1.00 0.00 H new ATOM 0 HA LYS A 102 -8.079 -4.784 -5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.415 -2.949 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.222 -3.902 -5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.027 -4.937 -8.145 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.348 -4.470 -8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.784 -6.293 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.439 -6.842 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.049 -7.031 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.364 -6.636 -8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.383 -8.945 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.428 -8.612 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.848 -9.064 -8.161 1.00 0.00 H new ATOM 1736 N ALA A 103 -5.850 -4.892 -3.454 1.00 0.00 N ATOM 1737 CA ALA A 103 -5.295 -5.800 -2.446 1.00 0.00 C ATOM 1738 C ALA A 103 -6.411 -6.407 -1.576 1.00 0.00 C ATOM 1739 O ALA A 103 -6.428 -7.608 -1.304 1.00 0.00 O ATOM 1740 CB ALA A 103 -4.285 -5.045 -1.571 1.00 0.00 C ATOM 0 H ALA A 103 -5.521 -3.929 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.787 -6.618 -2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.874 -5.723 -0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.478 -4.661 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.785 -4.214 -1.073 1.00 0.00 H new ATOM 1746 N GLU A 104 -7.344 -5.567 -1.156 1.00 0.00 N ATOM 1747 CA GLU A 104 -8.457 -5.996 -0.311 1.00 0.00 C ATOM 1748 C GLU A 104 -9.297 -7.082 -0.995 1.00 0.00 C ATOM 1749 O GLU A 104 -9.499 -8.150 -0.427 1.00 0.00 O ATOM 1750 CB GLU A 104 -9.328 -4.776 0.054 1.00 0.00 C ATOM 1751 CG GLU A 104 -8.667 -3.837 1.100 1.00 0.00 C ATOM 1752 CD GLU A 104 -9.216 -2.394 1.085 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -8.699 -1.551 1.864 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -10.149 -2.083 0.304 1.00 0.00 O ATOM 0 H GLU A 104 -7.355 -4.574 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.050 -6.432 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.541 -4.207 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.284 -5.125 0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.811 -4.259 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.593 -3.808 0.919 1.00 0.00 H new ATOM 1761 N LYS A 105 -9.773 -6.832 -2.212 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.612 -7.823 -2.908 1.00 0.00 C ATOM 1763 C LYS A 105 -9.812 -9.038 -3.364 1.00 0.00 C ATOM 1764 O LYS A 105 -10.354 -10.122 -3.554 1.00 0.00 O ATOM 1765 CB LYS A 105 -11.379 -7.175 -4.074 1.00 0.00 C ATOM 1766 CG LYS A 105 -10.537 -6.779 -5.287 1.00 0.00 C ATOM 1767 CD LYS A 105 -11.240 -5.674 -6.081 1.00 0.00 C ATOM 1768 CE LYS A 105 -10.435 -5.258 -7.313 1.00 0.00 C ATOM 1769 NZ LYS A 105 -10.631 -3.794 -7.626 1.00 0.00 N ATOM 0 H LYS A 105 -9.601 -5.973 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.345 -8.188 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -12.154 -7.867 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.885 -6.285 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -9.556 -6.434 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.374 -7.648 -5.925 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.226 -6.021 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.395 -4.807 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.377 -5.458 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -10.740 -5.859 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.201 -3.697 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.123 -3.332 -6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.705 -3.343 -7.769 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.511 -8.866 -3.523 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.634 -9.975 -3.870 1.00 0.00 C ATOM 1785 C GLU A 106 -7.542 -10.881 -2.644 1.00 0.00 C ATOM 1786 O GLU A 106 -7.660 -12.102 -2.746 1.00 0.00 O ATOM 1787 CB GLU A 106 -6.259 -9.438 -4.274 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.258 -10.475 -4.642 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.941 -9.854 -5.060 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.202 -9.358 -4.189 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.643 -9.850 -6.275 1.00 0.00 O ATOM 0 H GLU A 106 -8.037 -7.969 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.022 -10.541 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.385 -8.761 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.860 -8.847 -3.449 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.094 -11.141 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.648 -11.085 -5.456 1.00 0.00 H new ATOM 1798 N LEU A 107 -7.360 -10.289 -1.475 1.00 0.00 N ATOM 1799 CA LEU A 107 -7.307 -11.080 -0.251 1.00 0.00 C ATOM 1800 C LEU A 107 -8.650 -11.729 0.048 1.00 0.00 C ATOM 1801 O LEU A 107 -8.685 -12.837 0.572 1.00 0.00 O ATOM 1802 CB LEU A 107 -6.854 -10.225 0.922 1.00 0.00 C ATOM 1803 CG LEU A 107 -5.339 -9.979 0.925 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -5.043 -8.852 1.872 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -4.554 -11.240 1.339 1.00 0.00 C ATOM 0 H LEU A 107 -7.248 -9.284 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.578 -11.876 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.373 -9.267 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -7.141 -10.712 1.854 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.023 -9.723 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.970 -8.662 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.566 -7.954 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.379 -9.121 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.486 -11.023 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.853 -11.542 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.767 -12.048 0.639 1.00 0.00 H new ATOM 1817 N GLU A 108 -9.754 -11.080 -0.301 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.070 -11.713 -0.149 1.00 0.00 C ATOM 1819 C GLU A 108 -11.088 -12.985 -1.006 1.00 0.00 C ATOM 1820 O GLU A 108 -11.485 -14.064 -0.538 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.205 -10.773 -0.584 1.00 0.00 C ATOM 1822 CG GLU A 108 -12.486 -9.633 0.395 1.00 0.00 C ATOM 1823 CD GLU A 108 -13.611 -8.713 -0.083 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -14.567 -8.489 0.691 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -13.535 -8.205 -1.227 1.00 0.00 O ATOM 0 H GLU A 108 -9.773 -10.135 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 108 -11.232 -11.951 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.957 -10.348 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.116 -11.358 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.750 -10.050 1.367 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.578 -9.047 0.536 1.00 0.00 H new ATOM 1832 N SER A 109 -10.636 -12.869 -2.252 1.00 0.00 N ATOM 1833 CA SER A 109 -10.604 -14.017 -3.165 1.00 0.00 C ATOM 1834 C SER A 109 -9.677 -15.129 -2.667 1.00 0.00 C ATOM 1835 O SER A 109 -9.940 -16.307 -2.898 1.00 0.00 O ATOM 1836 CB SER A 109 -10.219 -13.583 -4.589 1.00 0.00 C ATOM 1837 OG SER A 109 -8.855 -13.217 -4.715 1.00 0.00 O ATOM 0 H SER A 109 -10.288 -11.999 -2.654 1.00 0.00 H new ATOM 0 HA SER A 109 -11.614 -14.427 -3.191 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.435 -14.398 -5.280 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.843 -12.740 -4.885 1.00 0.00 H new ATOM 0 HG SER A 109 -8.483 -13.030 -3.828 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.617 -14.772 -1.948 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.701 -15.783 -1.414 1.00 0.00 C ATOM 1845 C HIS A 110 -8.299 -16.437 -0.173 1.00 0.00 C ATOM 1846 O HIS A 110 -7.907 -17.526 0.209 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.374 -15.149 -0.987 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.568 -14.594 -2.116 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.511 -15.133 -3.375 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.736 -13.520 -2.157 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.686 -14.402 -4.105 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.171 -13.408 -3.409 1.00 0.00 N ATOM 0 H HIS A 110 -8.371 -13.808 -1.723 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.537 -16.516 -2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -6.579 -14.350 -0.275 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -5.779 -15.897 -0.464 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.019 -15.958 -3.694 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.546 -12.852 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.462 -14.595 -5.144 1.00 0.00 H new ATOM 1860 N SER A 111 -9.246 -15.769 0.458 1.00 0.00 N ATOM 1861 CA SER A 111 -9.879 -16.272 1.675 1.00 0.00 C ATOM 1862 C SER A 111 -11.282 -16.786 1.395 1.00 0.00 C ATOM 1863 O SER A 111 -11.997 -17.189 2.309 1.00 0.00 O ATOM 1864 CB SER A 111 -9.965 -15.139 2.689 1.00 0.00 C ATOM 1865 OG SER A 111 -10.633 -14.033 2.104 1.00 0.00 O ATOM 0 H SER A 111 -9.601 -14.865 0.147 1.00 0.00 H new ATOM 0 HA SER A 111 -9.279 -17.096 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.500 -15.472 3.578 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.965 -14.846 3.009 1.00 0.00 H new ATOM 0 HG SER A 111 -10.005 -13.529 1.546 1.00 0.00 H new ATOM 1871 N SER A 112 -11.674 -16.789 0.126 1.00 0.00 N ATOM 1872 CA SER A 112 -13.001 -17.274 -0.275 1.00 0.00 C ATOM 1873 C SER A 112 -13.200 -18.784 -0.054 1.00 0.00 C ATOM 1874 O SER A 112 -14.301 -19.298 -0.259 1.00 0.00 O ATOM 1875 CB SER A 112 -13.252 -16.933 -1.741 1.00 0.00 C ATOM 1876 OG SER A 112 -13.298 -15.526 -1.915 1.00 0.00 O ATOM 0 H SER A 112 -11.095 -16.462 -0.648 1.00 0.00 H new ATOM 0 HA SER A 112 -13.722 -16.769 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.463 -17.358 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.191 -17.378 -2.070 1.00 0.00 H new ATOM 0 HG SER A 112 -12.561 -15.111 -1.420 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.142 -19.465 0.383 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.172 -20.888 0.760 1.00 0.00 C ATOM 1884 C TRP A 113 -12.540 -21.824 -0.414 1.00 0.00 C ATOM 1885 O TRP A 113 -11.659 -22.231 -1.165 1.00 0.00 O ATOM 1886 CB TRP A 113 -13.097 -21.064 1.985 1.00 0.00 C ATOM 1887 CG TRP A 113 -12.880 -22.337 2.737 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.311 -23.569 2.396 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -12.179 -22.511 3.987 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -12.929 -24.507 3.299 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -12.227 -23.901 4.301 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -11.526 -21.636 4.878 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -11.633 -24.436 5.465 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -10.925 -22.169 6.053 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -10.984 -23.567 6.326 1.00 0.00 C ATOM 0 H TRP A 113 -11.220 -19.041 0.489 1.00 0.00 H new ATOM 0 HA TRP A 113 -11.163 -21.194 1.035 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.947 -20.224 2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -14.134 -21.024 1.652 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -13.891 -23.783 1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.133 -25.504 3.239 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -11.482 -20.577 4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.683 -25.494 5.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -10.420 -21.509 6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.515 -23.954 7.218 1.00 0.00 H new