USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 156:sc= 3.14 (180deg=1.63) USER MOD Set 1.2: A 110 HIS : no HE2:sc= 2.14 K(o=5.3,f=-12!) USER MOD Set 2.1: A 66 LYS NZ :NH3+ -116:sc= -0.528 (180deg=-0.904) USER MOD Set 2.2: A 70 GLN : amide:sc= 0.669 K(o=0.14,f=-6.7!) USER MOD Set 3.1: A 31 HIS : no HE2:sc= 1.1 K(o=-0.35,f=-9.5!) USER MOD Set 3.2: A 34 GLN : amide:sc= -1.45 X(o=-0.35,f=-0.58) USER MOD Set 4.1: A 12 HIS : no HE2:sc= 0.252 K(o=1,f=-0.14) USER MOD Set 4.2: A 79 THR OG1 : rot 83:sc= 0.756 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+ -164:sc= 0.941 (180deg=0.406) USER MOD Single : A 13 MET CE :methyl -173:sc= 0 (180deg=-0.0435) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 0.622 (180deg=0.443) USER MOD Single : A 15 LYS NZ :NH3+ -126:sc= 0.133 (180deg=-2.91!) USER MOD Single : A 16 MET CE :methyl -162:sc= 0 (180deg=-0.0144) USER MOD Single : A 17 MET CE :methyl 174:sc= 0 (180deg=-0.0637) USER MOD Single : A 18 LYS NZ :NH3+ -129:sc= 0.697 (180deg=0.0749) USER MOD Single : A 24 HIS : no HE2:sc= 0.787 K(o=0.79,f=-2.5!) USER MOD Single : A 28 GLN : amide:sc= 0.849 K(o=0.85,f=0) USER MOD Single : A 29 SER OG : rot -11:sc= 0.988 USER MOD Single : A 38 HIS : no HD1:sc= -0.0592 K(o=-0.059,f=-2.1) USER MOD Single : A 39 LYS NZ :NH3+ -128:sc= 0.79 (180deg=-0.333!) USER MOD Single : A 41 GLN : amide:sc= 0.79 K(o=0.79,f=-1.1) USER MOD Single : A 44 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-0.89) USER MOD Single : A 46 THR OG1 : rot -36:sc= 1.25 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.94 (180deg=0.534) USER MOD Single : A 53 HIS : no HD1:sc= -2.28! C(o=-2.3!,f=-3.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.2!) USER MOD Single : A 67 GLN : amide:sc= -0.809 K(o=-0.81,f=-0.19) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0.699 (180deg=0.399) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 88 TYR OH : rot 161:sc= 1.25 USER MOD Single : A 95 GLN : amide:sc= 0.0933 X(o=0.093,f=-0.053) USER MOD Single : A 102 LYS NZ :NH3+ 170:sc= 0.537 (180deg=0.209) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 41:sc= 1.08 USER MOD Single : A 111 SER OG : rot -26:sc= 1.16 USER MOD Single : A 112 SER OG : rot 62:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 84 N ARG A 7 6.377 29.299 3.961 1.00 0.00 N ATOM 85 CA ARG A 7 5.064 29.921 3.723 1.00 0.00 C ATOM 86 C ARG A 7 3.951 28.877 3.791 1.00 0.00 C ATOM 87 O ARG A 7 2.857 29.138 4.302 1.00 0.00 O ATOM 88 CB ARG A 7 5.061 30.582 2.338 1.00 0.00 C ATOM 89 CG ARG A 7 3.810 31.387 2.026 1.00 0.00 C ATOM 90 CD ARG A 7 3.857 31.900 0.597 1.00 0.00 C ATOM 91 NE ARG A 7 2.645 32.665 0.257 1.00 0.00 N ATOM 92 CZ ARG A 7 2.360 33.150 -0.947 1.00 0.00 C ATOM 93 NH1 ARG A 7 3.151 32.975 -1.979 1.00 0.00 N ATOM 94 NH2 ARG A 7 1.255 33.823 -1.116 1.00 0.00 N ATOM 0 HA ARG A 7 4.885 30.670 4.495 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.928 31.238 2.261 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.178 29.808 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.925 30.767 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.726 32.225 2.718 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.736 32.531 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.962 31.059 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 7 1.972 32.836 1.004 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.020 32.451 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.897 33.363 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.623 33.971 -0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.024 34.201 -2.035 1.00 0.00 H new ATOM 108 N TYR A 8 4.238 27.697 3.275 1.00 0.00 N ATOM 109 CA TYR A 8 3.271 26.608 3.225 1.00 0.00 C ATOM 110 C TYR A 8 3.543 25.566 4.309 1.00 0.00 C ATOM 111 O TYR A 8 3.029 24.455 4.253 1.00 0.00 O ATOM 112 CB TYR A 8 3.330 25.948 1.843 1.00 0.00 C ATOM 113 CG TYR A 8 3.189 26.918 0.678 1.00 0.00 C ATOM 114 CD1 TYR A 8 2.280 27.999 0.723 1.00 0.00 C ATOM 115 CD2 TYR A 8 3.964 26.752 -0.487 1.00 0.00 C ATOM 116 CE1 TYR A 8 2.153 28.892 -0.372 1.00 0.00 C ATOM 117 CE2 TYR A 8 3.839 27.645 -1.583 1.00 0.00 C ATOM 118 CZ TYR A 8 2.938 28.708 -1.509 1.00 0.00 C ATOM 119 OH TYR A 8 2.827 29.577 -2.565 1.00 0.00 O ATOM 0 H TYR A 8 5.148 27.463 2.877 1.00 0.00 H new ATOM 0 HA TYR A 8 2.278 27.020 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.278 25.418 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.539 25.201 1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.673 28.148 1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.664 25.932 -0.547 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.451 29.711 -0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.438 27.503 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 8 3.445 29.308 -3.277 1.00 0.00 H new ATOM 129 N SER A 9 4.361 25.920 5.293 1.00 0.00 N ATOM 130 CA SER A 9 4.781 24.968 6.331 1.00 0.00 C ATOM 131 C SER A 9 3.635 24.299 7.072 1.00 0.00 C ATOM 132 O SER A 9 3.719 23.123 7.398 1.00 0.00 O ATOM 133 CB SER A 9 5.670 25.669 7.353 1.00 0.00 C ATOM 134 OG SER A 9 5.012 26.812 7.879 1.00 0.00 O ATOM 0 H SER A 9 4.750 26.857 5.400 1.00 0.00 H new ATOM 0 HA SER A 9 5.319 24.183 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.919 24.981 8.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.609 25.965 6.885 1.00 0.00 H new ATOM 0 HG SER A 9 5.593 27.251 8.535 1.00 0.00 H new ATOM 140 N LYS A 10 2.563 25.032 7.333 1.00 0.00 N ATOM 141 CA LYS A 10 1.417 24.462 8.049 1.00 0.00 C ATOM 142 C LYS A 10 0.779 23.312 7.263 1.00 0.00 C ATOM 143 O LYS A 10 0.449 22.268 7.829 1.00 0.00 O ATOM 144 CB LYS A 10 0.391 25.558 8.435 1.00 0.00 C ATOM 145 CG LYS A 10 -0.524 26.148 7.315 1.00 0.00 C ATOM 146 CD LYS A 10 0.221 26.941 6.224 1.00 0.00 C ATOM 147 CE LYS A 10 -0.771 27.651 5.306 1.00 0.00 C ATOM 148 NZ LYS A 10 -0.085 28.309 4.146 1.00 0.00 N ATOM 0 H LYS A 10 2.456 26.011 7.066 1.00 0.00 H new ATOM 0 HA LYS A 10 1.785 24.034 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.256 25.148 9.211 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.942 26.385 8.883 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.069 25.331 6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.265 26.800 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.884 27.672 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.847 26.267 5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.502 26.932 4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.321 28.400 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.731 28.994 3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.767 28.802 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.185 27.587 3.447 1.00 0.00 H new ATOM 162 N GLU A 11 0.630 23.490 5.960 1.00 0.00 N ATOM 163 CA GLU A 11 0.024 22.466 5.128 1.00 0.00 C ATOM 164 C GLU A 11 1.021 21.363 4.886 1.00 0.00 C ATOM 165 O GLU A 11 0.655 20.207 4.916 1.00 0.00 O ATOM 166 CB GLU A 11 -0.456 23.053 3.802 1.00 0.00 C ATOM 167 CG GLU A 11 -1.748 23.845 3.952 1.00 0.00 C ATOM 168 CD GLU A 11 -2.874 22.980 4.492 1.00 0.00 C ATOM 169 OE1 GLU A 11 -3.236 21.993 3.827 1.00 0.00 O ATOM 170 OE2 GLU A 11 -3.398 23.269 5.595 1.00 0.00 O ATOM 0 H GLU A 11 0.919 24.330 5.459 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.845 22.060 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.319 23.701 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.608 22.247 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.583 24.688 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.037 24.258 2.985 1.00 0.00 H new ATOM 177 N HIS A 12 2.284 21.705 4.670 1.00 0.00 N ATOM 178 CA HIS A 12 3.308 20.683 4.472 1.00 0.00 C ATOM 179 C HIS A 12 3.394 19.782 5.690 1.00 0.00 C ATOM 180 O HIS A 12 3.518 18.582 5.546 1.00 0.00 O ATOM 181 CB HIS A 12 4.685 21.300 4.225 1.00 0.00 C ATOM 182 CG HIS A 12 4.915 21.715 2.807 1.00 0.00 C ATOM 183 ND1 HIS A 12 4.925 20.851 1.738 1.00 0.00 N ATOM 184 CD2 HIS A 12 5.172 22.938 2.272 1.00 0.00 C ATOM 185 CE1 HIS A 12 5.186 21.548 0.643 1.00 0.00 C ATOM 186 NE2 HIS A 12 5.336 22.831 0.905 1.00 0.00 N ATOM 0 H HIS A 12 2.623 22.666 4.627 1.00 0.00 H new ATOM 0 HA HIS A 12 3.018 20.106 3.593 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.805 22.169 4.872 1.00 0.00 H new ATOM 0 HB3 HIS A 12 5.452 20.581 4.512 1.00 0.00 H new ATOM 0 HD1 HIS A 12 4.760 19.845 1.781 1.00 0.00 H new ATOM 0 HD2 HIS A 12 5.238 23.858 2.834 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.266 21.118 -0.344 1.00 0.00 H new ATOM 194 N MET A 13 3.317 20.351 6.885 1.00 0.00 N ATOM 195 CA MET A 13 3.378 19.553 8.105 1.00 0.00 C ATOM 196 C MET A 13 2.153 18.651 8.215 1.00 0.00 C ATOM 197 O MET A 13 2.281 17.452 8.453 1.00 0.00 O ATOM 198 CB MET A 13 3.474 20.460 9.334 1.00 0.00 C ATOM 199 CG MET A 13 3.658 19.696 10.643 1.00 0.00 C ATOM 200 SD MET A 13 3.756 20.801 12.069 1.00 0.00 S ATOM 201 CE MET A 13 5.414 21.508 11.884 1.00 0.00 C ATOM 0 H MET A 13 3.213 21.354 7.037 1.00 0.00 H new ATOM 0 HA MET A 13 4.270 18.928 8.061 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.310 21.148 9.204 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.570 21.066 9.400 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.827 19.004 10.778 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.566 19.096 10.587 1.00 0.00 H new ATOM 0 HE1 MET A 13 5.653 22.110 12.761 1.00 0.00 H new ATOM 0 HE2 MET A 13 6.144 20.704 11.786 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.444 22.136 10.994 1.00 0.00 H new ATOM 211 N LYS A 14 0.969 19.221 8.031 1.00 0.00 N ATOM 212 CA LYS A 14 -0.276 18.449 8.126 1.00 0.00 C ATOM 213 C LYS A 14 -0.272 17.307 7.111 1.00 0.00 C ATOM 214 O LYS A 14 -0.538 16.139 7.449 1.00 0.00 O ATOM 215 CB LYS A 14 -1.461 19.383 7.860 1.00 0.00 C ATOM 216 CG LYS A 14 -2.836 18.736 8.031 1.00 0.00 C ATOM 217 CD LYS A 14 -3.950 19.712 7.640 1.00 0.00 C ATOM 218 CE LYS A 14 -4.074 19.845 6.118 1.00 0.00 C ATOM 219 NZ LYS A 14 -5.009 20.950 5.727 1.00 0.00 N ATOM 0 H LYS A 14 0.838 20.209 7.816 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.361 18.020 9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.391 20.238 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.380 19.770 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.900 17.839 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.969 18.422 9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.898 19.368 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.747 20.690 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.090 20.033 5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.429 18.904 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.264 20.850 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.869 20.900 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.543 21.868 5.876 1.00 0.00 H new ATOM 233 N LYS A 15 0.041 17.657 5.872 1.00 0.00 N ATOM 234 CA LYS A 15 0.078 16.688 4.792 1.00 0.00 C ATOM 235 C LYS A 15 1.125 15.648 5.088 1.00 0.00 C ATOM 236 O LYS A 15 0.797 14.500 5.125 1.00 0.00 O ATOM 237 CB LYS A 15 0.344 17.361 3.436 1.00 0.00 C ATOM 238 CG LYS A 15 -0.892 18.076 2.829 1.00 0.00 C ATOM 239 CD LYS A 15 -1.986 17.092 2.339 1.00 0.00 C ATOM 240 CE LYS A 15 -1.611 16.420 1.014 1.00 0.00 C ATOM 241 NZ LYS A 15 -2.202 15.043 0.918 1.00 0.00 N ATOM 0 H LYS A 15 0.274 18.610 5.591 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.898 16.208 4.724 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.148 18.087 3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.696 16.607 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.321 18.744 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.570 18.697 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.150 16.327 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.927 17.629 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.964 17.029 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.526 16.360 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.449 14.355 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.659 14.798 1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.908 15.021 0.154 1.00 0.00 H new ATOM 255 N MET A 16 2.375 16.017 5.326 1.00 0.00 N ATOM 256 CA MET A 16 3.395 14.992 5.565 1.00 0.00 C ATOM 257 C MET A 16 3.036 14.112 6.753 1.00 0.00 C ATOM 258 O MET A 16 3.306 12.918 6.723 1.00 0.00 O ATOM 259 CB MET A 16 4.805 15.585 5.728 1.00 0.00 C ATOM 260 CG MET A 16 5.120 16.215 7.071 1.00 0.00 C ATOM 261 SD MET A 16 6.776 16.931 7.083 1.00 0.00 S ATOM 262 CE MET A 16 6.936 17.380 8.818 1.00 0.00 C ATOM 0 H MET A 16 2.706 16.981 5.360 1.00 0.00 H new ATOM 0 HA MET A 16 3.414 14.367 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.532 14.794 5.543 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.950 16.339 4.954 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.385 16.988 7.294 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.040 15.463 7.856 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.742 18.105 8.933 1.00 0.00 H new ATOM 0 HE2 MET A 16 6.001 17.817 9.168 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.162 16.490 9.405 1.00 0.00 H new ATOM 272 N MET A 17 2.415 14.681 7.784 1.00 0.00 N ATOM 273 CA MET A 17 2.037 13.892 8.948 1.00 0.00 C ATOM 274 C MET A 17 1.073 12.784 8.543 1.00 0.00 C ATOM 275 O MET A 17 1.283 11.633 8.895 1.00 0.00 O ATOM 276 CB MET A 17 1.399 14.772 10.028 1.00 0.00 C ATOM 277 CG MET A 17 1.207 14.064 11.365 1.00 0.00 C ATOM 278 SD MET A 17 2.783 13.609 12.134 1.00 0.00 S ATOM 279 CE MET A 17 3.408 15.210 12.701 1.00 0.00 C ATOM 0 H MET A 17 2.167 15.669 7.836 1.00 0.00 H new ATOM 0 HA MET A 17 2.942 13.446 9.361 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.022 15.653 10.180 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.431 15.124 9.672 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.650 14.713 12.041 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.606 13.167 11.216 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.317 15.060 13.284 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.629 15.840 11.839 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.655 15.695 13.322 1.00 0.00 H new ATOM 289 N LYS A 18 0.021 13.109 7.798 1.00 0.00 N ATOM 290 CA LYS A 18 -0.942 12.065 7.414 1.00 0.00 C ATOM 291 C LYS A 18 -0.546 11.261 6.184 1.00 0.00 C ATOM 292 O LYS A 18 -0.870 10.087 6.079 1.00 0.00 O ATOM 293 CB LYS A 18 -2.338 12.661 7.208 1.00 0.00 C ATOM 294 CG LYS A 18 -3.151 12.782 8.505 1.00 0.00 C ATOM 295 CD LYS A 18 -3.484 11.393 9.084 1.00 0.00 C ATOM 296 CE LYS A 18 -4.324 11.477 10.344 1.00 0.00 C ATOM 297 NZ LYS A 18 -4.463 10.105 10.941 1.00 0.00 N ATOM 0 H LYS A 18 -0.188 14.047 7.456 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.946 11.366 8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.240 13.648 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.888 12.041 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.588 13.359 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.074 13.329 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.017 10.808 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.557 10.862 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.858 12.153 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.307 11.887 10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.467 9.906 11.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.085 9.398 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.933 10.060 11.835 1.00 0.00 H new ATOM 311 N ASP A 19 0.158 11.879 5.262 1.00 0.00 N ATOM 312 CA ASP A 19 0.559 11.213 4.029 1.00 0.00 C ATOM 313 C ASP A 19 1.650 10.190 4.318 1.00 0.00 C ATOM 314 O ASP A 19 1.675 9.124 3.717 1.00 0.00 O ATOM 315 CB ASP A 19 1.053 12.234 2.995 1.00 0.00 C ATOM 316 CG ASP A 19 -0.018 13.273 2.625 1.00 0.00 C ATOM 317 OD1 ASP A 19 -1.218 13.084 2.930 1.00 0.00 O ATOM 318 OD2 ASP A 19 0.351 14.302 2.029 1.00 0.00 O ATOM 0 H ASP A 19 0.469 12.847 5.338 1.00 0.00 H new ATOM 0 HA ASP A 19 -0.310 10.700 3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.930 12.748 3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.369 11.708 2.094 1.00 0.00 H new ATOM 323 N LEU A 20 2.552 10.487 5.248 1.00 0.00 N ATOM 324 CA LEU A 20 3.595 9.512 5.581 1.00 0.00 C ATOM 325 C LEU A 20 3.085 8.495 6.588 1.00 0.00 C ATOM 326 O LEU A 20 3.600 7.384 6.654 1.00 0.00 O ATOM 327 CB LEU A 20 4.880 10.182 6.057 1.00 0.00 C ATOM 328 CG LEU A 20 5.558 11.053 4.981 1.00 0.00 C ATOM 329 CD1 LEU A 20 6.843 11.648 5.555 1.00 0.00 C ATOM 330 CD2 LEU A 20 5.883 10.244 3.700 1.00 0.00 C ATOM 0 H LEU A 20 2.588 11.362 5.771 1.00 0.00 H new ATOM 0 HA LEU A 20 3.846 8.979 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.657 10.801 6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.580 9.414 6.385 1.00 0.00 H new ATOM 0 HG LEU A 20 4.864 11.845 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.328 12.265 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.604 12.260 6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.516 10.843 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.360 10.897 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.557 9.424 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.961 9.841 3.280 1.00 0.00 H new ATOM 342 N GLU A 21 2.045 8.846 7.335 1.00 0.00 N ATOM 343 CA GLU A 21 1.349 7.859 8.164 1.00 0.00 C ATOM 344 C GLU A 21 0.777 6.859 7.160 1.00 0.00 C ATOM 345 O GLU A 21 0.809 5.651 7.364 1.00 0.00 O ATOM 346 CB GLU A 21 0.222 8.522 8.974 1.00 0.00 C ATOM 347 CG GLU A 21 -0.654 7.566 9.775 1.00 0.00 C ATOM 348 CD GLU A 21 -1.896 8.264 10.320 1.00 0.00 C ATOM 349 OE1 GLU A 21 -3.020 7.912 9.895 1.00 0.00 O ATOM 350 OE2 GLU A 21 -1.766 9.180 11.167 1.00 0.00 O ATOM 0 H GLU A 21 1.666 9.792 7.387 1.00 0.00 H new ATOM 0 HA GLU A 21 2.010 7.388 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.666 9.243 9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.413 9.083 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.954 6.730 9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.078 7.150 10.601 1.00 0.00 H new ATOM 357 N GLY A 22 0.280 7.386 6.049 1.00 0.00 N ATOM 358 CA GLY A 22 -0.230 6.552 4.982 1.00 0.00 C ATOM 359 C GLY A 22 0.855 5.737 4.310 1.00 0.00 C ATOM 360 O GLY A 22 0.622 4.595 3.956 1.00 0.00 O ATOM 0 H GLY A 22 0.221 8.388 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.989 5.880 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.721 7.180 4.238 1.00 0.00 H new ATOM 364 N LEU A 23 2.043 6.293 4.134 1.00 0.00 N ATOM 365 CA LEU A 23 3.141 5.543 3.517 1.00 0.00 C ATOM 366 C LEU A 23 3.525 4.360 4.426 1.00 0.00 C ATOM 367 O LEU A 23 3.765 3.250 3.956 1.00 0.00 O ATOM 368 CB LEU A 23 4.336 6.466 3.250 1.00 0.00 C ATOM 369 CG LEU A 23 5.195 6.101 2.021 1.00 0.00 C ATOM 370 CD1 LEU A 23 6.097 7.272 1.665 1.00 0.00 C ATOM 371 CD2 LEU A 23 6.059 4.859 2.240 1.00 0.00 C ATOM 0 H LEU A 23 2.277 7.249 4.404 1.00 0.00 H new ATOM 0 HA LEU A 23 2.819 5.145 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.966 7.483 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.976 6.467 4.132 1.00 0.00 H new ATOM 0 HG LEU A 23 4.503 5.877 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.703 7.013 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.486 8.145 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.749 7.499 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.639 4.656 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.736 5.030 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.419 4.005 2.460 1.00 0.00 H new ATOM 383 N HIS A 24 3.555 4.585 5.732 1.00 0.00 N ATOM 384 CA HIS A 24 3.838 3.495 6.667 1.00 0.00 C ATOM 385 C HIS A 24 2.679 2.494 6.644 1.00 0.00 C ATOM 386 O HIS A 24 2.888 1.296 6.725 1.00 0.00 O ATOM 387 CB HIS A 24 4.072 4.030 8.077 1.00 0.00 C ATOM 388 CG HIS A 24 4.504 2.978 9.052 1.00 0.00 C ATOM 389 ND1 HIS A 24 5.502 2.057 8.823 1.00 0.00 N ATOM 390 CD2 HIS A 24 4.051 2.697 10.305 1.00 0.00 C ATOM 391 CE1 HIS A 24 5.615 1.291 9.902 1.00 0.00 C ATOM 392 NE2 HIS A 24 4.758 1.641 10.842 1.00 0.00 N ATOM 0 H HIS A 24 3.391 5.493 6.166 1.00 0.00 H new ATOM 0 HA HIS A 24 4.752 2.988 6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.830 4.812 8.039 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.154 4.494 8.438 1.00 0.00 H new ATOM 0 HD1 HIS A 24 6.058 1.977 7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.253 3.225 10.806 1.00 0.00 H new ATOM 0 HE1 HIS A 24 6.322 0.480 9.998 1.00 0.00 H new ATOM 400 N ARG A 25 1.452 2.981 6.493 1.00 0.00 N ATOM 401 CA ARG A 25 0.295 2.092 6.316 1.00 0.00 C ATOM 402 C ARG A 25 0.471 1.272 5.031 1.00 0.00 C ATOM 403 O ARG A 25 0.024 0.151 4.962 1.00 0.00 O ATOM 404 CB ARG A 25 -1.006 2.906 6.251 1.00 0.00 C ATOM 405 CG ARG A 25 -2.292 2.070 6.091 1.00 0.00 C ATOM 406 CD ARG A 25 -3.403 2.889 5.439 1.00 0.00 C ATOM 407 NE ARG A 25 -3.033 3.291 4.065 1.00 0.00 N ATOM 408 CZ ARG A 25 -3.038 4.531 3.593 1.00 0.00 C ATOM 409 NH1 ARG A 25 -3.419 5.564 4.308 1.00 0.00 N ATOM 410 NH2 ARG A 25 -2.652 4.735 2.374 1.00 0.00 N ATOM 0 H ARG A 25 1.227 3.976 6.489 1.00 0.00 H new ATOM 0 HA ARG A 25 0.233 1.417 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.089 3.502 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.939 3.604 5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.083 1.188 5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.623 1.715 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.323 2.305 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.604 3.776 6.039 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.749 2.550 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.729 5.432 5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.405 6.499 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.352 3.950 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.648 5.681 1.992 1.00 0.00 H new ATOM 424 N ALA A 26 1.128 1.819 4.019 1.00 0.00 N ATOM 425 CA ALA A 26 1.382 1.068 2.788 1.00 0.00 C ATOM 426 C ALA A 26 2.476 0.002 3.009 1.00 0.00 C ATOM 427 O ALA A 26 2.460 -1.047 2.397 1.00 0.00 O ATOM 428 CB ALA A 26 1.764 2.011 1.657 1.00 0.00 C ATOM 0 H ALA A 26 1.494 2.771 4.020 1.00 0.00 H new ATOM 0 HA ALA A 26 0.464 0.552 2.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.949 1.435 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.951 2.715 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.666 2.559 1.929 1.00 0.00 H new ATOM 434 N GLU A 27 3.417 0.262 3.902 1.00 0.00 N ATOM 435 CA GLU A 27 4.430 -0.747 4.268 1.00 0.00 C ATOM 436 C GLU A 27 3.695 -1.888 5.014 1.00 0.00 C ATOM 437 O GLU A 27 3.854 -3.129 4.763 1.00 0.00 O ATOM 438 CB GLU A 27 5.470 -0.055 5.156 1.00 0.00 C ATOM 439 CG GLU A 27 6.727 -0.830 5.455 1.00 0.00 C ATOM 440 CD GLU A 27 7.740 0.050 6.191 1.00 0.00 C ATOM 441 OE1 GLU A 27 8.959 -0.159 6.012 1.00 0.00 O ATOM 442 OE2 GLU A 27 7.310 0.965 6.943 1.00 0.00 O ATOM 0 H GLU A 27 3.511 1.153 4.390 1.00 0.00 H new ATOM 0 HA GLU A 27 4.943 -1.170 3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.754 0.883 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.994 0.200 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.487 -1.703 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.164 -1.198 4.526 1.00 0.00 H new ATOM 449 N GLN A 28 2.838 -1.438 5.917 1.00 0.00 N ATOM 450 CA GLN A 28 1.972 -2.328 6.645 1.00 0.00 C ATOM 451 C GLN A 28 1.117 -3.073 5.632 1.00 0.00 C ATOM 452 O GLN A 28 0.811 -4.201 5.859 1.00 0.00 O ATOM 453 CB GLN A 28 1.087 -1.558 7.634 1.00 0.00 C ATOM 454 CG GLN A 28 0.347 -2.451 8.620 1.00 0.00 C ATOM 455 CD GLN A 28 -0.787 -1.728 9.308 1.00 0.00 C ATOM 456 OE1 GLN A 28 -0.589 -0.725 9.982 1.00 0.00 O ATOM 457 NE2 GLN A 28 -1.979 -2.225 9.136 1.00 0.00 N ATOM 0 H GLN A 28 2.730 -0.453 6.159 1.00 0.00 H new ATOM 0 HA GLN A 28 2.569 -3.028 7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.707 -0.854 8.190 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.360 -0.970 7.074 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.046 -3.322 8.095 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.047 -2.820 9.369 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.105 -3.062 8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.786 -1.777 9.570 1.00 0.00 H new ATOM 466 N SER A 29 0.746 -2.462 4.511 1.00 0.00 N ATOM 467 CA SER A 29 -0.049 -3.167 3.509 1.00 0.00 C ATOM 468 C SER A 29 0.771 -4.220 2.762 1.00 0.00 C ATOM 469 O SER A 29 0.213 -5.225 2.407 1.00 0.00 O ATOM 470 CB SER A 29 -0.786 -2.221 2.544 1.00 0.00 C ATOM 471 OG SER A 29 0.062 -1.632 1.583 1.00 0.00 O ATOM 0 H SER A 29 0.978 -1.497 4.275 1.00 0.00 H new ATOM 0 HA SER A 29 -0.825 -3.695 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.573 -2.776 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.273 -1.434 3.119 1.00 0.00 H new ATOM 0 HG SER A 29 0.997 -1.809 1.819 1.00 0.00 H new ATOM 477 N LEU A 30 2.080 -4.041 2.561 1.00 0.00 N ATOM 478 CA LEU A 30 2.918 -5.135 2.002 1.00 0.00 C ATOM 479 C LEU A 30 2.756 -6.261 3.010 1.00 0.00 C ATOM 480 O LEU A 30 2.375 -7.413 2.684 1.00 0.00 O ATOM 481 CB LEU A 30 4.439 -4.825 2.008 1.00 0.00 C ATOM 482 CG LEU A 30 5.209 -4.081 0.912 1.00 0.00 C ATOM 483 CD1 LEU A 30 5.112 -2.573 0.985 1.00 0.00 C ATOM 484 CD2 LEU A 30 6.695 -4.467 1.071 1.00 0.00 C ATOM 0 H LEU A 30 2.583 -3.178 2.767 1.00 0.00 H new ATOM 0 HA LEU A 30 2.613 -5.327 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.623 -4.268 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.936 -5.789 2.115 1.00 0.00 H new ATOM 0 HG LEU A 30 4.772 -4.369 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.687 -2.132 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.068 -2.271 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.511 -2.229 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.286 -3.959 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.045 -4.169 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.805 -5.545 0.957 1.00 0.00 H new ATOM 496 N HIS A 31 3.072 -5.933 4.257 1.00 0.00 N ATOM 497 CA HIS A 31 3.113 -6.994 5.260 1.00 0.00 C ATOM 498 C HIS A 31 1.751 -7.606 5.608 1.00 0.00 C ATOM 499 O HIS A 31 1.660 -8.800 5.891 1.00 0.00 O ATOM 500 CB HIS A 31 3.905 -6.528 6.463 1.00 0.00 C ATOM 501 CG HIS A 31 5.341 -6.251 6.130 1.00 0.00 C ATOM 502 ND1 HIS A 31 6.019 -6.833 5.076 1.00 0.00 N ATOM 503 CD2 HIS A 31 6.245 -5.417 6.712 1.00 0.00 C ATOM 504 CE1 HIS A 31 7.256 -6.355 5.069 1.00 0.00 C ATOM 505 NE2 HIS A 31 7.454 -5.492 6.046 1.00 0.00 N ATOM 0 H HIS A 31 3.293 -4.994 4.588 1.00 0.00 H new ATOM 0 HA HIS A 31 3.637 -7.840 4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.448 -5.625 6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.856 -7.287 7.243 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.635 -7.512 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.047 -4.789 7.568 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.010 -6.638 4.350 1.00 0.00 H new ATOM 513 N ASP A 32 0.698 -6.817 5.542 1.00 0.00 N ATOM 514 CA ASP A 32 -0.659 -7.310 5.732 1.00 0.00 C ATOM 515 C ASP A 32 -1.017 -8.175 4.548 1.00 0.00 C ATOM 516 O ASP A 32 -1.706 -9.170 4.709 1.00 0.00 O ATOM 517 CB ASP A 32 -1.675 -6.163 5.792 1.00 0.00 C ATOM 518 CG ASP A 32 -1.854 -5.593 7.193 1.00 0.00 C ATOM 519 OD1 ASP A 32 -1.556 -6.291 8.184 1.00 0.00 O ATOM 520 OD2 ASP A 32 -2.342 -4.448 7.307 1.00 0.00 O ATOM 0 H ASP A 32 0.754 -5.816 5.355 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.693 -7.861 6.672 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.354 -5.366 5.121 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.638 -6.520 5.426 1.00 0.00 H new ATOM 525 N LEU A 33 -0.550 -7.807 3.358 1.00 0.00 N ATOM 526 CA LEU A 33 -0.840 -8.598 2.169 1.00 0.00 C ATOM 527 C LEU A 33 -0.231 -9.968 2.354 1.00 0.00 C ATOM 528 O LEU A 33 -0.936 -10.963 2.196 1.00 0.00 O ATOM 529 CB LEU A 33 -0.320 -7.949 0.863 1.00 0.00 C ATOM 530 CG LEU A 33 -1.396 -7.358 -0.080 1.00 0.00 C ATOM 531 CD1 LEU A 33 -2.391 -8.447 -0.537 1.00 0.00 C ATOM 532 CD2 LEU A 33 -2.174 -6.200 0.525 1.00 0.00 C ATOM 0 H LEU A 33 0.022 -6.979 3.193 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.923 -8.662 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.377 -7.154 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.247 -8.698 0.310 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.843 -6.967 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.136 -8.005 -1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.853 -9.231 -1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.887 -8.875 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.909 -5.840 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.685 -6.537 1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.487 -5.392 0.777 1.00 0.00 H new ATOM 544 N GLN A 34 1.049 -10.059 2.709 1.00 0.00 N ATOM 545 CA GLN A 34 1.603 -11.417 2.906 1.00 0.00 C ATOM 546 C GLN A 34 0.982 -12.135 4.113 1.00 0.00 C ATOM 547 O GLN A 34 0.748 -13.347 4.053 1.00 0.00 O ATOM 548 CB GLN A 34 3.140 -11.485 3.005 1.00 0.00 C ATOM 549 CG GLN A 34 3.847 -10.284 3.624 1.00 0.00 C ATOM 550 CD GLN A 34 4.507 -9.344 2.616 1.00 0.00 C ATOM 551 OE1 GLN A 34 5.352 -8.522 2.999 1.00 0.00 O ATOM 552 NE2 GLN A 34 4.136 -9.438 1.354 1.00 0.00 N ATOM 0 H GLN A 34 1.690 -9.280 2.860 1.00 0.00 H new ATOM 0 HA GLN A 34 1.324 -11.936 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.403 -12.369 3.585 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.538 -11.632 2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.125 -9.717 4.211 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.608 -10.644 4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.437 -10.128 1.078 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.548 -8.821 0.654 1.00 0.00 H new ATOM 561 N GLU A 35 0.700 -11.423 5.199 1.00 0.00 N ATOM 562 CA GLU A 35 0.119 -12.074 6.380 1.00 0.00 C ATOM 563 C GLU A 35 -1.258 -12.659 6.072 1.00 0.00 C ATOM 564 O GLU A 35 -1.533 -13.820 6.394 1.00 0.00 O ATOM 565 CB GLU A 35 0.018 -11.095 7.559 1.00 0.00 C ATOM 566 CG GLU A 35 -0.342 -11.767 8.890 1.00 0.00 C ATOM 567 CD GLU A 35 -1.704 -11.335 9.423 1.00 0.00 C ATOM 568 OE1 GLU A 35 -2.726 -11.581 8.744 1.00 0.00 O ATOM 569 OE2 GLU A 35 -1.759 -10.740 10.517 1.00 0.00 O ATOM 0 H GLU A 35 0.857 -10.419 5.292 1.00 0.00 H new ATOM 0 HA GLU A 35 0.787 -12.889 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.970 -10.575 7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.733 -10.339 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.335 -12.849 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.423 -11.531 9.629 1.00 0.00 H new ATOM 576 N ARG A 36 -2.123 -11.876 5.439 1.00 0.00 N ATOM 577 CA ARG A 36 -3.468 -12.353 5.125 1.00 0.00 C ATOM 578 C ARG A 36 -3.404 -13.442 4.080 1.00 0.00 C ATOM 579 O ARG A 36 -4.176 -14.383 4.138 1.00 0.00 O ATOM 580 CB ARG A 36 -4.382 -11.212 4.660 1.00 0.00 C ATOM 581 CG ARG A 36 -5.616 -11.038 5.548 1.00 0.00 C ATOM 582 CD ARG A 36 -5.254 -10.472 6.922 1.00 0.00 C ATOM 583 NE ARG A 36 -5.234 -9.000 6.936 1.00 0.00 N ATOM 584 CZ ARG A 36 -4.358 -8.248 7.596 1.00 0.00 C ATOM 585 NH1 ARG A 36 -3.372 -8.744 8.297 1.00 0.00 N ATOM 586 NH2 ARG A 36 -4.486 -6.954 7.547 1.00 0.00 N ATOM 0 H ARG A 36 -1.924 -10.923 5.136 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.898 -12.762 6.039 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.815 -10.281 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.702 -11.404 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.326 -10.373 5.057 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.113 -12.000 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.972 -10.830 7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.276 -10.849 7.221 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.951 -8.517 6.395 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.246 -9.754 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.728 -8.120 8.784 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.246 -6.537 7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.826 -6.357 8.045 1.00 0.00 H new ATOM 600 N LEU A 37 -2.478 -13.333 3.140 1.00 0.00 N ATOM 601 CA LEU A 37 -2.280 -14.379 2.138 1.00 0.00 C ATOM 602 C LEU A 37 -1.862 -15.679 2.821 1.00 0.00 C ATOM 603 O LEU A 37 -2.433 -16.744 2.555 1.00 0.00 O ATOM 604 CB LEU A 37 -1.185 -13.951 1.159 1.00 0.00 C ATOM 605 CG LEU A 37 -0.617 -15.024 0.220 1.00 0.00 C ATOM 606 CD1 LEU A 37 -1.655 -15.517 -0.789 1.00 0.00 C ATOM 607 CD2 LEU A 37 0.590 -14.437 -0.489 1.00 0.00 C ATOM 0 H LEU A 37 -1.851 -12.534 3.047 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.214 -14.536 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.580 -13.141 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.359 -13.538 1.738 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.328 -15.895 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.207 -16.275 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.503 -15.948 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.996 -14.680 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.013 -15.181 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.285 -13.560 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.339 -14.147 0.248 1.00 0.00 H new ATOM 619 N HIS A 38 -0.873 -15.601 3.703 1.00 0.00 N ATOM 620 CA HIS A 38 -0.388 -16.800 4.381 1.00 0.00 C ATOM 621 C HIS A 38 -1.518 -17.424 5.194 1.00 0.00 C ATOM 622 O HIS A 38 -1.720 -18.634 5.154 1.00 0.00 O ATOM 623 CB HIS A 38 0.804 -16.470 5.288 1.00 0.00 C ATOM 624 CG HIS A 38 1.652 -17.659 5.627 1.00 0.00 C ATOM 625 ND1 HIS A 38 1.212 -18.959 5.623 1.00 0.00 N ATOM 626 CD2 HIS A 38 2.964 -17.735 5.981 1.00 0.00 C ATOM 627 CE1 HIS A 38 2.230 -19.746 5.953 1.00 0.00 C ATOM 628 NE2 HIS A 38 3.326 -19.052 6.190 1.00 0.00 N ATOM 0 H HIS A 38 -0.397 -14.737 3.963 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.051 -17.514 3.629 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.425 -15.720 4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.434 -16.024 6.211 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.626 -16.888 6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.168 -20.822 6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.240 -19.409 6.467 1.00 0.00 H new ATOM 636 N LYS A 39 -2.262 -16.599 5.917 1.00 0.00 N ATOM 637 CA LYS A 39 -3.392 -17.076 6.714 1.00 0.00 C ATOM 638 C LYS A 39 -4.430 -17.750 5.819 1.00 0.00 C ATOM 639 O LYS A 39 -4.880 -18.866 6.097 1.00 0.00 O ATOM 640 CB LYS A 39 -4.015 -15.887 7.454 1.00 0.00 C ATOM 641 CG LYS A 39 -5.124 -16.250 8.418 1.00 0.00 C ATOM 642 CD LYS A 39 -5.688 -14.984 9.056 1.00 0.00 C ATOM 643 CE LYS A 39 -6.755 -15.298 10.102 1.00 0.00 C ATOM 644 NZ LYS A 39 -7.981 -15.907 9.492 1.00 0.00 N ATOM 0 H LYS A 39 -2.106 -15.592 5.970 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.042 -17.813 7.437 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.230 -15.368 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.407 -15.185 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.914 -16.787 7.893 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.743 -16.919 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.879 -14.421 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.116 -14.347 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.343 -15.981 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.028 -14.382 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.822 -15.378 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.909 -15.869 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.065 -16.898 9.797 1.00 0.00 H new ATOM 658 N ALA A 40 -4.793 -17.070 4.739 1.00 0.00 N ATOM 659 CA ALA A 40 -5.778 -17.576 3.796 1.00 0.00 C ATOM 660 C ALA A 40 -5.274 -18.843 3.115 1.00 0.00 C ATOM 661 O ALA A 40 -6.063 -19.696 2.739 1.00 0.00 O ATOM 662 CB ALA A 40 -6.113 -16.512 2.760 1.00 0.00 C ATOM 0 H ALA A 40 -4.414 -16.155 4.494 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.685 -17.824 4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.851 -16.905 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.518 -15.632 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.209 -16.236 2.216 1.00 0.00 H new ATOM 668 N GLN A 41 -3.974 -19.010 2.960 1.00 0.00 N ATOM 669 CA GLN A 41 -3.524 -20.285 2.440 1.00 0.00 C ATOM 670 C GLN A 41 -3.787 -21.338 3.528 1.00 0.00 C ATOM 671 O GLN A 41 -4.581 -22.263 3.322 1.00 0.00 O ATOM 672 CB GLN A 41 -2.031 -20.238 2.086 1.00 0.00 C ATOM 673 CG GLN A 41 -1.486 -21.561 1.549 1.00 0.00 C ATOM 674 CD GLN A 41 -0.015 -21.476 1.195 1.00 0.00 C ATOM 675 OE1 GLN A 41 0.344 -21.268 0.046 1.00 0.00 O ATOM 676 NE2 GLN A 41 0.836 -21.645 2.170 1.00 0.00 N ATOM 0 H GLN A 41 -3.249 -18.324 3.172 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.061 -20.532 1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.867 -19.459 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.465 -19.955 2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.633 -22.342 2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.054 -21.853 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.499 -21.817 3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.838 -21.605 1.985 1.00 0.00 H new ATOM 685 N GLU A 42 -3.167 -21.178 4.691 1.00 0.00 N ATOM 686 CA GLU A 42 -3.215 -22.216 5.727 1.00 0.00 C ATOM 687 C GLU A 42 -4.626 -22.636 6.095 1.00 0.00 C ATOM 688 O GLU A 42 -4.871 -23.815 6.358 1.00 0.00 O ATOM 689 CB GLU A 42 -2.472 -21.783 6.996 1.00 0.00 C ATOM 690 CG GLU A 42 -0.988 -21.491 6.788 1.00 0.00 C ATOM 691 CD GLU A 42 -0.259 -22.598 6.044 1.00 0.00 C ATOM 692 OE1 GLU A 42 -0.211 -23.745 6.537 1.00 0.00 O ATOM 693 OE2 GLU A 42 0.284 -22.306 4.950 1.00 0.00 O ATOM 0 H GLU A 42 -2.629 -20.350 4.944 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.716 -23.079 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.953 -20.891 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.574 -22.566 7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.882 -20.558 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.514 -21.341 7.758 1.00 0.00 H new ATOM 700 N GLU A 43 -5.560 -21.697 6.105 1.00 0.00 N ATOM 701 CA GLU A 43 -6.938 -22.056 6.407 1.00 0.00 C ATOM 702 C GLU A 43 -7.803 -22.293 5.145 1.00 0.00 C ATOM 703 O GLU A 43 -8.555 -23.267 5.096 1.00 0.00 O ATOM 704 CB GLU A 43 -7.553 -21.005 7.361 1.00 0.00 C ATOM 705 CG GLU A 43 -7.998 -19.709 6.698 1.00 0.00 C ATOM 706 CD GLU A 43 -8.124 -18.528 7.649 1.00 0.00 C ATOM 707 OE1 GLU A 43 -8.362 -17.402 7.148 1.00 0.00 O ATOM 708 OE2 GLU A 43 -7.984 -18.686 8.884 1.00 0.00 O ATOM 0 H GLU A 43 -5.398 -20.708 5.914 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.926 -23.021 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.412 -21.451 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.822 -20.767 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.286 -19.454 5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.960 -19.874 6.214 1.00 0.00 H new ATOM 715 N HIS A 44 -7.733 -21.408 4.152 1.00 0.00 N ATOM 716 CA HIS A 44 -8.661 -21.471 2.997 1.00 0.00 C ATOM 717 C HIS A 44 -8.106 -22.110 1.735 1.00 0.00 C ATOM 718 O HIS A 44 -8.867 -22.484 0.839 1.00 0.00 O ATOM 719 CB HIS A 44 -9.230 -20.089 2.647 1.00 0.00 C ATOM 720 CG HIS A 44 -10.160 -19.536 3.681 1.00 0.00 C ATOM 721 ND1 HIS A 44 -9.965 -18.350 4.347 1.00 0.00 N ATOM 722 CD2 HIS A 44 -11.340 -20.017 4.159 1.00 0.00 C ATOM 723 CE1 HIS A 44 -10.987 -18.166 5.176 1.00 0.00 C ATOM 724 NE2 HIS A 44 -11.855 -19.155 5.109 1.00 0.00 N ATOM 0 H HIS A 44 -7.058 -20.645 4.112 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.449 -22.135 3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -8.404 -19.392 2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.758 -20.155 1.696 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.806 -20.938 3.842 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.093 -17.310 5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.718 -19.261 5.642 1.00 0.00 H new ATOM 732 N ARG A 45 -6.784 -22.209 1.666 1.00 0.00 N ATOM 733 CA ARG A 45 -6.028 -22.801 0.534 1.00 0.00 C ATOM 734 C ARG A 45 -6.078 -22.020 -0.772 1.00 0.00 C ATOM 735 O ARG A 45 -5.280 -22.293 -1.664 1.00 0.00 O ATOM 736 CB ARG A 45 -6.446 -24.251 0.271 1.00 0.00 C ATOM 737 CG ARG A 45 -6.467 -25.119 1.511 1.00 0.00 C ATOM 738 CD ARG A 45 -6.881 -26.515 1.142 1.00 0.00 C ATOM 739 NE ARG A 45 -7.071 -27.344 2.337 1.00 0.00 N ATOM 740 CZ ARG A 45 -7.461 -28.611 2.329 1.00 0.00 C ATOM 741 NH1 ARG A 45 -7.709 -29.265 1.219 1.00 0.00 N ATOM 742 NH2 ARG A 45 -7.602 -29.233 3.467 1.00 0.00 N ATOM 0 H ARG A 45 -6.176 -21.873 2.413 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.993 -22.757 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.438 -24.256 -0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.762 -24.690 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.481 -25.132 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.159 -24.706 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.807 -26.483 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.123 -26.965 0.501 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.889 -26.913 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.604 -28.799 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.007 -30.240 1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.413 -28.744 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.901 -30.208 3.482 1.00 0.00 H new ATOM 756 N THR A 46 -6.993 -21.059 -0.850 1.00 0.00 N ATOM 757 CA THR A 46 -7.193 -20.156 -2.001 1.00 0.00 C ATOM 758 C THR A 46 -7.680 -20.853 -3.280 1.00 0.00 C ATOM 759 O THR A 46 -7.429 -22.034 -3.500 1.00 0.00 O ATOM 760 CB THR A 46 -5.909 -19.328 -2.322 1.00 0.00 C ATOM 761 OG1 THR A 46 -5.019 -20.107 -3.119 1.00 0.00 O ATOM 762 CG2 THR A 46 -5.173 -18.897 -1.045 1.00 0.00 C ATOM 0 H THR A 46 -7.646 -20.873 -0.089 1.00 0.00 H new ATOM 0 HA THR A 46 -7.992 -19.489 -1.678 1.00 0.00 H new ATOM 0 HB THR A 46 -6.225 -18.434 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.063 -21.044 -2.837 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.286 -18.323 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.833 -18.281 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.877 -19.781 -0.480 1.00 0.00 H new ATOM 770 N VAL A 47 -8.376 -20.125 -4.146 1.00 0.00 N ATOM 771 CA VAL A 47 -8.834 -20.719 -5.414 1.00 0.00 C ATOM 772 C VAL A 47 -7.626 -20.852 -6.333 1.00 0.00 C ATOM 773 O VAL A 47 -7.656 -21.551 -7.342 1.00 0.00 O ATOM 774 CB VAL A 47 -9.966 -19.900 -6.101 1.00 0.00 C ATOM 775 CG1 VAL A 47 -11.184 -19.822 -5.179 1.00 0.00 C ATOM 776 CG2 VAL A 47 -9.499 -18.491 -6.481 1.00 0.00 C ATOM 0 H VAL A 47 -8.634 -19.148 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.271 -21.695 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.239 -20.415 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.972 -19.248 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -11.546 -20.828 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.903 -19.334 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.318 -17.952 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.187 -17.957 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.659 -18.560 -7.173 1.00 0.00 H new ATOM 786 N GLU A 48 -6.548 -20.192 -5.944 1.00 0.00 N ATOM 787 CA GLU A 48 -5.278 -20.265 -6.642 1.00 0.00 C ATOM 788 C GLU A 48 -4.491 -21.510 -6.188 1.00 0.00 C ATOM 789 O GLU A 48 -3.306 -21.605 -6.464 1.00 0.00 O ATOM 790 CB GLU A 48 -4.451 -18.997 -6.353 1.00 0.00 C ATOM 791 CG GLU A 48 -5.023 -17.693 -6.939 1.00 0.00 C ATOM 792 CD GLU A 48 -6.198 -17.101 -6.149 1.00 0.00 C ATOM 793 OE1 GLU A 48 -6.325 -17.338 -4.921 1.00 0.00 O ATOM 794 OE2 GLU A 48 -6.997 -16.378 -6.775 1.00 0.00 O ATOM 0 H GLU A 48 -6.531 -19.584 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.469 -20.338 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.359 -18.881 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.444 -19.142 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.225 -16.952 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.348 -17.881 -7.962 1.00 0.00 H new ATOM 801 N VAL A 49 -5.153 -22.453 -5.511 1.00 0.00 N ATOM 802 CA VAL A 49 -4.530 -23.703 -4.996 1.00 0.00 C ATOM 803 C VAL A 49 -3.333 -24.304 -5.765 1.00 0.00 C ATOM 804 O VAL A 49 -2.324 -24.665 -5.162 1.00 0.00 O ATOM 805 CB VAL A 49 -5.576 -24.876 -4.908 1.00 0.00 C ATOM 806 CG1 VAL A 49 -5.965 -25.147 -3.459 1.00 0.00 C ATOM 807 CG2 VAL A 49 -6.840 -24.595 -5.757 1.00 0.00 C ATOM 0 H VAL A 49 -6.148 -22.381 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.155 -23.345 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.094 -25.763 -5.318 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.689 -25.961 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.078 -25.424 -2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.407 -24.249 -3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.533 -25.431 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.322 -23.684 -5.402 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.556 -24.472 -6.802 1.00 0.00 H new ATOM 817 N GLU A 50 -3.445 -24.425 -7.083 1.00 0.00 N ATOM 818 CA GLU A 50 -2.393 -25.041 -7.908 1.00 0.00 C ATOM 819 C GLU A 50 -1.079 -24.238 -7.894 1.00 0.00 C ATOM 820 O GLU A 50 0.011 -24.782 -8.107 1.00 0.00 O ATOM 821 CB GLU A 50 -2.918 -25.186 -9.343 1.00 0.00 C ATOM 822 CG GLU A 50 -2.373 -26.403 -10.114 1.00 0.00 C ATOM 823 CD GLU A 50 -1.080 -26.114 -10.863 1.00 0.00 C ATOM 824 OE1 GLU A 50 -0.096 -26.871 -10.698 1.00 0.00 O ATOM 825 OE2 GLU A 50 -1.032 -25.121 -11.621 1.00 0.00 O ATOM 0 H GLU A 50 -4.256 -24.105 -7.613 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.158 -26.018 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.006 -25.252 -9.311 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.669 -24.282 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.204 -27.221 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.128 -26.742 -10.824 1.00 0.00 H new ATOM 832 N LYS A 51 -1.186 -22.942 -7.632 1.00 0.00 N ATOM 833 CA LYS A 51 -0.035 -22.040 -7.561 1.00 0.00 C ATOM 834 C LYS A 51 -0.447 -20.811 -6.742 1.00 0.00 C ATOM 835 O LYS A 51 -0.507 -19.698 -7.246 1.00 0.00 O ATOM 836 CB LYS A 51 0.439 -21.680 -8.979 1.00 0.00 C ATOM 837 CG LYS A 51 1.916 -22.026 -9.191 1.00 0.00 C ATOM 838 CD LYS A 51 2.292 -22.231 -10.665 1.00 0.00 C ATOM 839 CE LYS A 51 1.576 -23.435 -11.301 1.00 0.00 C ATOM 840 NZ LYS A 51 1.686 -24.700 -10.493 1.00 0.00 N ATOM 0 H LYS A 51 -2.079 -22.480 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 51 0.812 -22.516 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.168 -22.213 -9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.287 -20.615 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.531 -21.228 -8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.152 -22.933 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.046 -21.330 -11.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.370 -22.372 -10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.522 -23.191 -11.435 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.991 -23.611 -12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.380 -25.509 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.674 -24.839 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.080 -24.628 -9.651 1.00 0.00 H new ATOM 854 N VAL A 52 -0.734 -21.061 -5.470 1.00 0.00 N ATOM 855 CA VAL A 52 -1.244 -20.044 -4.539 1.00 0.00 C ATOM 856 C VAL A 52 -0.529 -18.698 -4.602 1.00 0.00 C ATOM 857 O VAL A 52 -1.178 -17.662 -4.740 1.00 0.00 O ATOM 858 CB VAL A 52 -1.158 -20.564 -3.068 1.00 0.00 C ATOM 859 CG1 VAL A 52 -1.695 -19.515 -2.086 1.00 0.00 C ATOM 860 CG2 VAL A 52 -1.943 -21.872 -2.915 1.00 0.00 C ATOM 0 H VAL A 52 -0.621 -21.981 -5.045 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.274 -19.876 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.109 -20.751 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.625 -19.900 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.105 -18.602 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.737 -19.297 -2.320 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.873 -22.220 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.989 -21.701 -3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.526 -22.627 -3.582 1.00 0.00 H new ATOM 870 N HIS A 53 0.794 -18.687 -4.497 1.00 0.00 N ATOM 871 CA HIS A 53 1.503 -17.412 -4.511 1.00 0.00 C ATOM 872 C HIS A 53 2.916 -17.406 -5.112 1.00 0.00 C ATOM 873 O HIS A 53 3.126 -16.876 -6.212 1.00 0.00 O ATOM 874 CB HIS A 53 1.490 -16.799 -3.090 1.00 0.00 C ATOM 875 CG HIS A 53 2.246 -17.584 -2.057 1.00 0.00 C ATOM 876 ND1 HIS A 53 3.323 -17.094 -1.364 1.00 0.00 N ATOM 877 CD2 HIS A 53 2.072 -18.853 -1.588 1.00 0.00 C ATOM 878 CE1 HIS A 53 3.761 -18.043 -0.546 1.00 0.00 C ATOM 879 NE2 HIS A 53 3.045 -19.142 -0.650 1.00 0.00 N ATOM 0 H HIS A 53 1.382 -19.515 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 53 0.946 -16.792 -5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.908 -15.794 -3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.455 -16.698 -2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.291 -19.530 -1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.601 -17.927 0.122 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.179 -20.019 -0.147 1.00 0.00 H new ATOM 887 N LEU A 54 3.870 -17.978 -4.389 1.00 0.00 N ATOM 888 CA LEU A 54 5.283 -17.989 -4.767 1.00 0.00 C ATOM 889 C LEU A 54 5.823 -16.558 -4.968 1.00 0.00 C ATOM 890 O LEU A 54 5.158 -15.545 -4.645 1.00 0.00 O ATOM 891 CB LEU A 54 5.514 -18.859 -6.021 1.00 0.00 C ATOM 892 CG LEU A 54 4.956 -20.294 -5.975 1.00 0.00 C ATOM 893 CD1 LEU A 54 5.194 -20.967 -7.325 1.00 0.00 C ATOM 894 CD2 LEU A 54 5.605 -21.128 -4.864 1.00 0.00 C ATOM 0 H LEU A 54 3.684 -18.456 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 54 5.843 -18.435 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.072 -18.348 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.587 -18.916 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 54 3.889 -20.234 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.801 -21.983 -7.299 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.687 -20.402 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.264 -20.997 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.182 -22.132 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.680 -21.187 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.415 -20.659 -3.899 1.00 0.00 H new ATOM 906 N GLU A 55 7.040 -16.488 -5.494 1.00 0.00 N ATOM 907 CA GLU A 55 7.720 -15.213 -5.703 1.00 0.00 C ATOM 908 C GLU A 55 6.851 -14.287 -6.522 1.00 0.00 C ATOM 909 O GLU A 55 6.758 -13.126 -6.208 1.00 0.00 O ATOM 910 CB GLU A 55 9.069 -15.419 -6.412 1.00 0.00 C ATOM 911 CG GLU A 55 9.960 -14.160 -6.435 1.00 0.00 C ATOM 912 CD GLU A 55 10.221 -13.627 -7.850 1.00 0.00 C ATOM 913 OE1 GLU A 55 11.386 -13.670 -8.297 1.00 0.00 O ATOM 914 OE2 GLU A 55 9.272 -13.155 -8.512 1.00 0.00 O ATOM 0 H GLU A 55 7.580 -17.303 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 55 7.906 -14.765 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.609 -16.226 -5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.885 -15.741 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.487 -13.378 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.913 -14.389 -5.959 1.00 0.00 H new ATOM 921 N LYS A 56 6.201 -14.803 -7.557 1.00 0.00 N ATOM 922 CA LYS A 56 5.378 -13.953 -8.414 1.00 0.00 C ATOM 923 C LYS A 56 4.281 -13.226 -7.657 1.00 0.00 C ATOM 924 O LYS A 56 4.215 -12.012 -7.721 1.00 0.00 O ATOM 925 CB LYS A 56 4.751 -14.745 -9.556 1.00 0.00 C ATOM 926 CG LYS A 56 5.739 -15.120 -10.641 1.00 0.00 C ATOM 927 CD LYS A 56 5.001 -15.621 -11.871 1.00 0.00 C ATOM 928 CE LYS A 56 5.968 -15.925 -13.004 1.00 0.00 C ATOM 929 NZ LYS A 56 5.221 -16.266 -14.263 1.00 0.00 N ATOM 0 H LYS A 56 6.224 -15.788 -7.822 1.00 0.00 H new ATOM 0 HA LYS A 56 6.062 -13.206 -8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.301 -15.653 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.945 -14.158 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.350 -14.256 -10.901 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.417 -15.891 -10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.437 -16.519 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.279 -14.872 -12.196 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.612 -15.064 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.616 -16.756 -12.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.899 -16.470 -15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.625 -17.102 -14.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.622 -15.462 -14.540 1.00 0.00 H new ATOM 943 N LYS A 57 3.417 -13.934 -6.944 1.00 0.00 N ATOM 944 CA LYS A 57 2.329 -13.233 -6.264 1.00 0.00 C ATOM 945 C LYS A 57 2.853 -12.455 -5.078 1.00 0.00 C ATOM 946 O LYS A 57 2.337 -11.386 -4.797 1.00 0.00 O ATOM 947 CB LYS A 57 1.203 -14.171 -5.843 1.00 0.00 C ATOM 948 CG LYS A 57 -0.149 -13.469 -5.673 1.00 0.00 C ATOM 949 CD LYS A 57 -0.487 -13.157 -4.212 1.00 0.00 C ATOM 950 CE LYS A 57 -1.655 -12.183 -4.154 1.00 0.00 C ATOM 951 NZ LYS A 57 -2.101 -11.852 -2.758 1.00 0.00 N ATOM 0 H LYS A 57 3.439 -14.946 -6.821 1.00 0.00 H new ATOM 0 HA LYS A 57 1.904 -12.533 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.102 -14.961 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.474 -14.652 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.143 -12.541 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.933 -14.098 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.740 -14.076 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.381 -12.729 -3.711 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.373 -11.261 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.496 -12.606 -4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.582 -10.930 -2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.756 -12.585 -2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.273 -11.811 -2.130 1.00 0.00 H new ATOM 965 N LEU A 58 3.883 -12.948 -4.391 1.00 0.00 N ATOM 966 CA LEU A 58 4.435 -12.156 -3.277 1.00 0.00 C ATOM 967 C LEU A 58 4.935 -10.816 -3.835 1.00 0.00 C ATOM 968 O LEU A 58 4.685 -9.744 -3.288 1.00 0.00 O ATOM 969 CB LEU A 58 5.588 -12.893 -2.588 1.00 0.00 C ATOM 970 CG LEU A 58 5.197 -14.084 -1.698 1.00 0.00 C ATOM 971 CD1 LEU A 58 6.451 -14.882 -1.335 1.00 0.00 C ATOM 972 CD2 LEU A 58 4.490 -13.635 -0.423 1.00 0.00 C ATOM 0 H LEU A 58 4.337 -13.844 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 58 3.654 -11.995 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.274 -13.250 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.137 -12.176 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 58 4.502 -14.707 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.175 -15.727 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.925 -15.249 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.148 -14.240 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.231 -14.508 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.151 -12.984 0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.582 -13.091 -0.683 1.00 0.00 H new ATOM 984 N ARG A 59 5.635 -10.883 -4.950 1.00 0.00 N ATOM 985 CA ARG A 59 6.170 -9.696 -5.597 1.00 0.00 C ATOM 986 C ARG A 59 5.056 -8.798 -6.096 1.00 0.00 C ATOM 987 O ARG A 59 5.175 -7.599 -6.019 1.00 0.00 O ATOM 988 CB ARG A 59 7.059 -10.141 -6.751 1.00 0.00 C ATOM 989 CG ARG A 59 7.914 -9.093 -7.389 1.00 0.00 C ATOM 990 CD ARG A 59 8.838 -9.830 -8.334 1.00 0.00 C ATOM 991 NE ARG A 59 9.881 -8.983 -8.924 1.00 0.00 N ATOM 992 CZ ARG A 59 10.954 -9.447 -9.554 1.00 0.00 C ATOM 993 NH1 ARG A 59 11.189 -10.732 -9.686 1.00 0.00 N ATOM 994 NH2 ARG A 59 11.814 -8.598 -10.050 1.00 0.00 N ATOM 0 H ARG A 59 5.849 -11.755 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 59 6.751 -9.118 -4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.710 -10.937 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.422 -10.575 -7.522 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.305 -8.366 -7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.481 -8.542 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.311 -10.652 -7.797 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.246 -10.272 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 59 9.775 -7.972 -8.845 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.536 -11.412 -9.298 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.025 -11.050 -10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.656 -7.595 -9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.643 -8.938 -10.537 1.00 0.00 H new ATOM 1008 N ASP A 60 3.983 -9.374 -6.614 1.00 0.00 N ATOM 1009 CA ASP A 60 2.870 -8.588 -7.153 1.00 0.00 C ATOM 1010 C ASP A 60 1.976 -7.940 -6.091 1.00 0.00 C ATOM 1011 O ASP A 60 1.413 -6.870 -6.328 1.00 0.00 O ATOM 1012 CB ASP A 60 2.027 -9.443 -8.101 1.00 0.00 C ATOM 1013 CG ASP A 60 2.707 -9.652 -9.453 1.00 0.00 C ATOM 1014 OD1 ASP A 60 2.438 -10.679 -10.115 1.00 0.00 O ATOM 1015 OD2 ASP A 60 3.510 -8.771 -9.858 1.00 0.00 O ATOM 0 H ASP A 60 3.853 -10.384 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 60 3.331 -7.762 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.835 -10.412 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.059 -8.966 -8.254 1.00 0.00 H new ATOM 1020 N GLU A 61 1.846 -8.544 -4.920 1.00 0.00 N ATOM 1021 CA GLU A 61 1.076 -7.919 -3.837 1.00 0.00 C ATOM 1022 C GLU A 61 1.960 -6.813 -3.215 1.00 0.00 C ATOM 1023 O GLU A 61 1.515 -5.682 -2.932 1.00 0.00 O ATOM 1024 CB GLU A 61 0.614 -8.980 -2.828 1.00 0.00 C ATOM 1025 CG GLU A 61 1.714 -9.579 -1.975 1.00 0.00 C ATOM 1026 CD GLU A 61 1.260 -10.726 -1.114 1.00 0.00 C ATOM 1027 OE1 GLU A 61 2.067 -11.146 -0.254 1.00 0.00 O ATOM 1028 OE2 GLU A 61 0.122 -11.221 -1.288 1.00 0.00 O ATOM 0 H GLU A 61 2.253 -9.451 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 61 0.161 -7.457 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.132 -8.533 -2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.118 -9.784 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.519 -9.922 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.130 -8.800 -1.336 1.00 0.00 H new ATOM 1035 N ILE A 62 3.240 -7.115 -3.059 1.00 0.00 N ATOM 1036 CA ILE A 62 4.198 -6.101 -2.688 1.00 0.00 C ATOM 1037 C ILE A 62 4.194 -5.004 -3.767 1.00 0.00 C ATOM 1038 O ILE A 62 4.338 -3.852 -3.436 1.00 0.00 O ATOM 1039 CB ILE A 62 5.610 -6.714 -2.473 1.00 0.00 C ATOM 1040 CG1 ILE A 62 5.594 -7.592 -1.200 1.00 0.00 C ATOM 1041 CG2 ILE A 62 6.642 -5.609 -2.333 1.00 0.00 C ATOM 1042 CD1 ILE A 62 6.839 -8.487 -1.011 1.00 0.00 C ATOM 0 H ILE A 62 3.631 -8.049 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 62 3.916 -5.654 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 62 5.875 -7.328 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.496 -6.943 -0.330 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.709 -8.227 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.628 -6.049 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.650 -5.002 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.390 -4.982 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.736 -9.064 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.931 -9.166 -1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.730 -7.862 -0.949 1.00 0.00 H new ATOM 1054 N ASN A 63 4.003 -5.333 -5.041 1.00 0.00 N ATOM 1055 CA ASN A 63 3.923 -4.302 -6.094 1.00 0.00 C ATOM 1056 C ASN A 63 2.660 -3.455 -5.927 1.00 0.00 C ATOM 1057 O ASN A 63 2.678 -2.262 -6.210 1.00 0.00 O ATOM 1058 CB ASN A 63 3.920 -4.895 -7.513 1.00 0.00 C ATOM 1059 CG ASN A 63 5.298 -5.304 -7.989 1.00 0.00 C ATOM 1060 OD1 ASN A 63 6.299 -4.688 -7.640 1.00 0.00 O ATOM 1061 ND2 ASN A 63 5.357 -6.329 -8.802 1.00 0.00 N ATOM 0 H ASN A 63 3.901 -6.291 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 63 4.817 -3.689 -5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.262 -5.763 -7.536 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.506 -4.162 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.258 -6.639 -9.167 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.502 -6.817 -9.070 1.00 0.00 H new ATOM 1068 N LEU A 64 1.572 -4.058 -5.460 1.00 0.00 N ATOM 1069 CA LEU A 64 0.331 -3.321 -5.186 1.00 0.00 C ATOM 1070 C LEU A 64 0.655 -2.325 -4.084 1.00 0.00 C ATOM 1071 O LEU A 64 0.382 -1.115 -4.206 1.00 0.00 O ATOM 1072 CB LEU A 64 -0.773 -4.307 -4.733 1.00 0.00 C ATOM 1073 CG LEU A 64 -2.152 -3.872 -4.191 1.00 0.00 C ATOM 1074 CD1 LEU A 64 -2.929 -5.160 -3.911 1.00 0.00 C ATOM 1075 CD2 LEU A 64 -2.115 -3.065 -2.886 1.00 0.00 C ATOM 0 H LEU A 64 1.519 -5.057 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.037 -2.805 -6.073 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.972 -4.954 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.325 -4.930 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.600 -3.217 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.917 -4.912 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.034 -5.730 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.390 -5.757 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.132 -2.808 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.648 -3.661 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.540 -2.152 -3.039 1.00 0.00 H new ATOM 1087 N ALA A 65 1.248 -2.829 -3.012 1.00 0.00 N ATOM 1088 CA ALA A 65 1.575 -1.970 -1.878 1.00 0.00 C ATOM 1089 C ALA A 65 2.638 -0.914 -2.255 1.00 0.00 C ATOM 1090 O ALA A 65 2.609 0.227 -1.802 1.00 0.00 O ATOM 1091 CB ALA A 65 2.040 -2.822 -0.742 1.00 0.00 C ATOM 0 H ALA A 65 1.509 -3.809 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 65 0.682 -1.422 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.287 -2.189 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.249 -3.517 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.924 -3.382 -1.046 1.00 0.00 H new ATOM 1097 N LYS A 66 3.569 -1.300 -3.110 1.00 0.00 N ATOM 1098 CA LYS A 66 4.609 -0.401 -3.609 1.00 0.00 C ATOM 1099 C LYS A 66 3.991 0.698 -4.449 1.00 0.00 C ATOM 1100 O LYS A 66 4.457 1.835 -4.408 1.00 0.00 O ATOM 1101 CB LYS A 66 5.626 -1.196 -4.444 1.00 0.00 C ATOM 1102 CG LYS A 66 6.715 -0.374 -5.126 1.00 0.00 C ATOM 1103 CD LYS A 66 7.631 0.332 -4.128 1.00 0.00 C ATOM 1104 CE LYS A 66 8.717 1.110 -4.859 1.00 0.00 C ATOM 1105 NZ LYS A 66 8.121 2.182 -5.727 1.00 0.00 N ATOM 0 H LYS A 66 3.630 -2.248 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 66 5.122 0.054 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.104 -1.930 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.084 -1.751 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.312 -1.027 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.251 0.368 -5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.047 1.009 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.086 -0.401 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.397 1.560 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.308 0.429 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.332 1.978 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.090 2.207 -5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.527 3.104 -5.468 1.00 0.00 H new ATOM 1119 N GLN A 67 2.950 0.383 -5.207 1.00 0.00 N ATOM 1120 CA GLN A 67 2.280 1.398 -6.005 1.00 0.00 C ATOM 1121 C GLN A 67 1.600 2.369 -5.053 1.00 0.00 C ATOM 1122 O GLN A 67 1.752 3.581 -5.209 1.00 0.00 O ATOM 1123 CB GLN A 67 1.273 0.783 -6.980 1.00 0.00 C ATOM 1124 CG GLN A 67 0.673 1.803 -7.946 1.00 0.00 C ATOM 1125 CD GLN A 67 1.723 2.464 -8.823 1.00 0.00 C ATOM 1126 OE1 GLN A 67 2.219 1.873 -9.762 1.00 0.00 O ATOM 1127 NE2 GLN A 67 2.058 3.693 -8.516 1.00 0.00 N ATOM 0 H GLN A 67 2.556 -0.554 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 67 3.014 1.923 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.764 -0.004 -7.552 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.470 0.312 -6.414 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.065 1.309 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.145 2.569 -7.378 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.620 4.157 -7.720 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.757 4.185 -9.073 1.00 0.00 H new ATOM 1136 N GLU A 68 0.880 1.850 -4.062 1.00 0.00 N ATOM 1137 CA GLU A 68 0.337 2.701 -2.999 1.00 0.00 C ATOM 1138 C GLU A 68 1.450 3.581 -2.365 1.00 0.00 C ATOM 1139 O GLU A 68 1.351 4.810 -2.346 1.00 0.00 O ATOM 1140 CB GLU A 68 -0.318 1.805 -1.930 1.00 0.00 C ATOM 1141 CG GLU A 68 -1.230 2.530 -0.963 1.00 0.00 C ATOM 1142 CD GLU A 68 -1.627 1.667 0.239 1.00 0.00 C ATOM 1143 OE1 GLU A 68 -1.375 0.443 0.227 1.00 0.00 O ATOM 1144 OE2 GLU A 68 -2.187 2.233 1.209 1.00 0.00 O ATOM 0 H GLU A 68 0.659 0.858 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.409 3.373 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.891 1.025 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.468 1.308 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.732 3.432 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.130 2.849 -1.489 1.00 0.00 H new ATOM 1151 N ALA A 69 2.512 2.956 -1.866 1.00 0.00 N ATOM 1152 CA ALA A 69 3.605 3.679 -1.197 1.00 0.00 C ATOM 1153 C ALA A 69 4.277 4.757 -2.065 1.00 0.00 C ATOM 1154 O ALA A 69 4.580 5.863 -1.597 1.00 0.00 O ATOM 1155 CB ALA A 69 4.662 2.669 -0.720 1.00 0.00 C ATOM 0 H ALA A 69 2.645 1.946 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 69 3.154 4.209 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.474 3.200 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.206 1.968 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.056 2.123 -1.577 1.00 0.00 H new ATOM 1161 N GLN A 70 4.522 4.442 -3.328 1.00 0.00 N ATOM 1162 CA GLN A 70 5.179 5.390 -4.221 1.00 0.00 C ATOM 1163 C GLN A 70 4.299 6.609 -4.402 1.00 0.00 C ATOM 1164 O GLN A 70 4.779 7.743 -4.406 1.00 0.00 O ATOM 1165 CB GLN A 70 5.455 4.757 -5.583 1.00 0.00 C ATOM 1166 CG GLN A 70 6.298 5.647 -6.483 1.00 0.00 C ATOM 1167 CD GLN A 70 6.595 5.005 -7.812 1.00 0.00 C ATOM 1168 OE1 GLN A 70 7.166 3.918 -7.869 1.00 0.00 O ATOM 1169 NE2 GLN A 70 6.229 5.661 -8.876 1.00 0.00 N ATOM 0 H GLN A 70 4.280 3.548 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 70 6.130 5.680 -3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.965 3.804 -5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.508 4.540 -6.077 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.777 6.590 -6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.235 5.884 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.757 6.561 -8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.414 5.275 -9.802 1.00 0.00 H new ATOM 1178 N ARG A 71 3.005 6.385 -4.539 1.00 0.00 N ATOM 1179 CA ARG A 71 2.091 7.496 -4.705 1.00 0.00 C ATOM 1180 C ARG A 71 2.002 8.302 -3.420 1.00 0.00 C ATOM 1181 O ARG A 71 1.832 9.499 -3.479 1.00 0.00 O ATOM 1182 CB ARG A 71 0.718 7.012 -5.110 1.00 0.00 C ATOM 1183 CG ARG A 71 0.607 6.595 -6.551 1.00 0.00 C ATOM 1184 CD ARG A 71 -0.851 6.335 -6.914 1.00 0.00 C ATOM 1185 NE ARG A 71 -1.275 4.948 -6.649 1.00 0.00 N ATOM 1186 CZ ARG A 71 -1.859 4.509 -5.537 1.00 0.00 C ATOM 1187 NH1 ARG A 71 -2.110 5.264 -4.502 1.00 0.00 N ATOM 1188 NH2 ARG A 71 -2.216 3.260 -5.479 1.00 0.00 N ATOM 0 H ARG A 71 2.571 5.462 -4.539 1.00 0.00 H new ATOM 0 HA ARG A 71 2.477 8.135 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.442 6.168 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.005 7.804 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.016 7.374 -7.195 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.198 5.696 -6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.487 7.017 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.002 6.559 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.105 4.263 -7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.855 6.252 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.561 4.866 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.046 2.644 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.666 2.897 -4.639 1.00 0.00 H new ATOM 1202 N LEU A 72 2.155 7.670 -2.264 1.00 0.00 N ATOM 1203 CA LEU A 72 2.168 8.409 -1.000 1.00 0.00 C ATOM 1204 C LEU A 72 3.465 9.218 -0.886 1.00 0.00 C ATOM 1205 O LEU A 72 3.485 10.309 -0.314 1.00 0.00 O ATOM 1206 CB LEU A 72 1.976 7.451 0.168 1.00 0.00 C ATOM 1207 CG LEU A 72 0.514 6.975 0.215 1.00 0.00 C ATOM 1208 CD1 LEU A 72 0.428 5.580 0.751 1.00 0.00 C ATOM 1209 CD2 LEU A 72 -0.333 7.914 1.069 1.00 0.00 C ATOM 0 H LEU A 72 2.271 6.661 -2.171 1.00 0.00 H new ATOM 0 HA LEU A 72 1.339 9.116 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.644 6.596 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.237 7.946 1.103 1.00 0.00 H new ATOM 0 HG LEU A 72 0.126 6.983 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.615 5.263 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.996 4.908 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.840 5.552 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.363 7.558 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.062 7.938 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.304 8.918 0.645 1.00 0.00 H new ATOM 1221 N LYS A 73 4.547 8.717 -1.467 1.00 0.00 N ATOM 1222 CA LYS A 73 5.792 9.502 -1.546 1.00 0.00 C ATOM 1223 C LYS A 73 5.562 10.700 -2.483 1.00 0.00 C ATOM 1224 O LYS A 73 5.950 11.835 -2.177 1.00 0.00 O ATOM 1225 CB LYS A 73 6.949 8.612 -2.043 1.00 0.00 C ATOM 1226 CG LYS A 73 8.277 9.331 -2.300 1.00 0.00 C ATOM 1227 CD LYS A 73 8.411 9.748 -3.773 1.00 0.00 C ATOM 1228 CE LYS A 73 9.783 10.322 -4.072 1.00 0.00 C ATOM 1229 NZ LYS A 73 9.830 10.846 -5.479 1.00 0.00 N ATOM 0 H LYS A 73 4.599 7.789 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 73 6.066 9.874 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.119 7.825 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.637 8.124 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.345 10.213 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.106 8.677 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.231 8.885 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.647 10.488 -4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.011 11.124 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.544 9.554 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.708 11.385 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.802 10.050 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.012 11.467 -5.646 1.00 0.00 H new ATOM 1243 N GLU A 74 4.924 10.452 -3.616 1.00 0.00 N ATOM 1244 CA GLU A 74 4.642 11.519 -4.585 1.00 0.00 C ATOM 1245 C GLU A 74 3.679 12.544 -3.969 1.00 0.00 C ATOM 1246 O GLU A 74 3.777 13.739 -4.229 1.00 0.00 O ATOM 1247 CB GLU A 74 4.058 10.909 -5.865 1.00 0.00 C ATOM 1248 CG GLU A 74 5.100 10.114 -6.678 1.00 0.00 C ATOM 1249 CD GLU A 74 4.480 9.152 -7.695 1.00 0.00 C ATOM 1250 OE1 GLU A 74 3.242 9.145 -7.867 1.00 0.00 O ATOM 1251 OE2 GLU A 74 5.250 8.385 -8.323 1.00 0.00 O ATOM 0 H GLU A 74 4.590 9.529 -3.893 1.00 0.00 H new ATOM 0 HA GLU A 74 5.566 12.036 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.229 10.251 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.649 11.705 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.750 10.814 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.729 9.548 -5.991 1.00 0.00 H new ATOM 1258 N LEU A 75 2.770 12.068 -3.131 1.00 0.00 N ATOM 1259 CA LEU A 75 1.836 12.925 -2.404 1.00 0.00 C ATOM 1260 C LEU A 75 2.594 13.815 -1.437 1.00 0.00 C ATOM 1261 O LEU A 75 2.354 15.023 -1.350 1.00 0.00 O ATOM 1262 CB LEU A 75 0.862 12.043 -1.616 1.00 0.00 C ATOM 1263 CG LEU A 75 -0.299 12.735 -0.908 1.00 0.00 C ATOM 1264 CD1 LEU A 75 -1.157 13.461 -1.897 1.00 0.00 C ATOM 1265 CD2 LEU A 75 -1.124 11.713 -0.141 1.00 0.00 C ATOM 0 H LEU A 75 2.656 11.074 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 75 1.291 13.548 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.446 11.305 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.434 11.495 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 75 0.104 13.463 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.980 13.949 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.560 14.212 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.556 12.752 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.951 12.216 0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.519 10.970 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.495 11.220 0.600 1.00 0.00 H new ATOM 1277 N ARG A 76 3.530 13.206 -0.719 1.00 0.00 N ATOM 1278 CA ARG A 76 4.377 13.919 0.236 1.00 0.00 C ATOM 1279 C ARG A 76 5.162 15.021 -0.472 1.00 0.00 C ATOM 1280 O ARG A 76 5.453 16.061 0.128 1.00 0.00 O ATOM 1281 CB ARG A 76 5.317 12.909 0.927 1.00 0.00 C ATOM 1282 CG ARG A 76 6.559 13.498 1.594 1.00 0.00 C ATOM 1283 CD ARG A 76 6.184 14.354 2.785 1.00 0.00 C ATOM 1284 NE ARG A 76 7.360 14.987 3.406 1.00 0.00 N ATOM 1285 CZ ARG A 76 7.889 16.151 3.042 1.00 0.00 C ATOM 1286 NH1 ARG A 76 7.422 16.867 2.049 1.00 0.00 N ATOM 1287 NH2 ARG A 76 8.920 16.604 3.698 1.00 0.00 N ATOM 0 H ARG A 76 3.725 12.207 -0.780 1.00 0.00 H new ATOM 0 HA ARG A 76 3.759 14.397 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.746 12.368 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.639 12.177 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.220 12.693 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.114 14.097 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.482 15.126 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.671 13.740 3.525 1.00 0.00 H new ATOM 0 HE ARG A 76 7.805 14.492 4.179 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.617 16.537 1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.863 17.755 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.306 16.067 4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.341 17.495 3.435 1.00 0.00 H new ATOM 1301 N GLU A 77 5.497 14.818 -1.734 1.00 0.00 N ATOM 1302 CA GLU A 77 6.218 15.846 -2.497 1.00 0.00 C ATOM 1303 C GLU A 77 5.318 17.018 -2.956 1.00 0.00 C ATOM 1304 O GLU A 77 5.821 18.011 -3.487 1.00 0.00 O ATOM 1305 CB GLU A 77 6.917 15.204 -3.700 1.00 0.00 C ATOM 1306 CG GLU A 77 8.085 14.317 -3.281 1.00 0.00 C ATOM 1307 CD GLU A 77 8.749 13.617 -4.452 1.00 0.00 C ATOM 1308 OE1 GLU A 77 8.041 13.024 -5.296 1.00 0.00 O ATOM 1309 OE2 GLU A 77 9.999 13.628 -4.524 1.00 0.00 O ATOM 0 H GLU A 77 5.289 13.966 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 77 6.957 16.279 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.196 14.611 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.278 15.986 -4.368 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.826 14.924 -2.760 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.730 13.569 -2.572 1.00 0.00 H new ATOM 1316 N GLY A 78 4.009 16.918 -2.746 1.00 0.00 N ATOM 1317 CA GLY A 78 3.097 17.993 -3.130 1.00 0.00 C ATOM 1318 C GLY A 78 3.177 19.223 -2.231 1.00 0.00 C ATOM 1319 O GLY A 78 3.714 19.164 -1.118 1.00 0.00 O ATOM 0 H GLY A 78 3.558 16.111 -2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.313 18.290 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.076 17.612 -3.117 1.00 0.00 H new ATOM 1323 N THR A 79 2.642 20.351 -2.695 1.00 0.00 N ATOM 1324 CA THR A 79 2.688 21.596 -1.915 1.00 0.00 C ATOM 1325 C THR A 79 1.372 22.400 -1.859 1.00 0.00 C ATOM 1326 O THR A 79 0.868 22.906 -2.866 1.00 0.00 O ATOM 1327 CB THR A 79 3.880 22.505 -2.387 1.00 0.00 C ATOM 1328 OG1 THR A 79 3.894 23.714 -1.624 1.00 0.00 O ATOM 1329 CG2 THR A 79 3.814 22.864 -3.872 1.00 0.00 C ATOM 0 H THR A 79 2.175 20.433 -3.598 1.00 0.00 H new ATOM 0 HA THR A 79 2.850 21.270 -0.888 1.00 0.00 H new ATOM 0 HB THR A 79 4.791 21.928 -2.229 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.355 23.559 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.666 23.493 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.840 21.952 -4.468 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.889 23.404 -4.075 1.00 0.00 H new ATOM 1337 N GLU A 80 0.852 22.502 -0.635 1.00 0.00 N ATOM 1338 CA GLU A 80 -0.355 23.276 -0.247 1.00 0.00 C ATOM 1339 C GLU A 80 -1.719 23.015 -0.931 1.00 0.00 C ATOM 1340 O GLU A 80 -2.726 22.908 -0.240 1.00 0.00 O ATOM 1341 CB GLU A 80 -0.039 24.787 -0.310 1.00 0.00 C ATOM 1342 CG GLU A 80 -1.122 25.688 0.329 1.00 0.00 C ATOM 1343 CD GLU A 80 -0.584 26.619 1.414 1.00 0.00 C ATOM 1344 OE1 GLU A 80 0.072 26.141 2.367 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -0.826 27.848 1.333 1.00 0.00 O ATOM 0 H GLU A 80 1.274 22.027 0.163 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.538 22.888 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.912 24.969 0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.090 25.077 -1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.591 26.287 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.901 25.057 0.757 1.00 0.00 H new ATOM 1352 N ASN A 81 -1.787 22.939 -2.252 1.00 0.00 N ATOM 1353 CA ASN A 81 -3.077 22.836 -2.938 1.00 0.00 C ATOM 1354 C ASN A 81 -2.990 22.111 -4.279 1.00 0.00 C ATOM 1355 O ASN A 81 -1.914 21.892 -4.805 1.00 0.00 O ATOM 1356 CB ASN A 81 -3.632 24.243 -3.171 1.00 0.00 C ATOM 1357 CG ASN A 81 -2.816 25.021 -4.158 1.00 0.00 C ATOM 1358 OD1 ASN A 81 -3.075 24.980 -5.347 1.00 0.00 O ATOM 1359 ND2 ASN A 81 -1.838 25.740 -3.681 1.00 0.00 N ATOM 0 H ASN A 81 -0.975 22.946 -2.870 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.733 22.248 -2.296 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.659 24.171 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.661 24.781 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.258 26.295 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.653 25.748 -2.678 1.00 0.00 H new ATOM 1366 N GLU A 82 -4.145 21.753 -4.821 1.00 0.00 N ATOM 1367 CA GLU A 82 -4.238 20.968 -6.057 1.00 0.00 C ATOM 1368 C GLU A 82 -4.153 21.721 -7.404 1.00 0.00 C ATOM 1369 O GLU A 82 -4.404 21.135 -8.465 1.00 0.00 O ATOM 1370 CB GLU A 82 -5.542 20.172 -6.016 1.00 0.00 C ATOM 1371 CG GLU A 82 -5.555 19.125 -4.916 1.00 0.00 C ATOM 1372 CD GLU A 82 -6.436 17.951 -5.276 1.00 0.00 C ATOM 1373 OE1 GLU A 82 -5.900 16.839 -5.448 1.00 0.00 O ATOM 1374 OE2 GLU A 82 -7.663 18.129 -5.413 1.00 0.00 O ATOM 0 H GLU A 82 -5.051 21.996 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.338 20.354 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.377 20.857 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.695 19.684 -6.978 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.539 18.776 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.909 19.575 -3.988 1.00 0.00 H new ATOM 1479 N TYR A 88 -3.470 15.587 -8.964 1.00 0.00 N ATOM 1480 CA TYR A 88 -2.942 14.243 -8.809 1.00 0.00 C ATOM 1481 C TYR A 88 -2.798 13.853 -7.332 1.00 0.00 C ATOM 1482 O TYR A 88 -2.754 12.679 -7.013 1.00 0.00 O ATOM 1483 CB TYR A 88 -1.576 14.179 -9.494 1.00 0.00 C ATOM 1484 CG TYR A 88 -0.912 12.820 -9.435 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -1.373 11.752 -10.235 1.00 0.00 C ATOM 1486 CD2 TYR A 88 0.185 12.588 -8.576 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -0.745 10.476 -10.179 1.00 0.00 C ATOM 1488 CE2 TYR A 88 0.812 11.315 -8.522 1.00 0.00 C ATOM 1489 CZ TYR A 88 0.343 10.274 -9.324 1.00 0.00 C ATOM 1490 OH TYR A 88 0.953 9.047 -9.282 1.00 0.00 O ATOM 0 HA TYR A 88 -3.639 13.540 -9.265 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.693 14.468 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.916 14.913 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.212 11.905 -10.897 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.552 13.389 -7.952 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.108 9.666 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.651 11.153 -7.861 1.00 0.00 H new ATOM 0 HH TYR A 88 1.846 9.139 -8.890 1.00 0.00 H new ATOM 1500 N ALA A 89 -2.715 14.832 -6.437 1.00 0.00 N ATOM 1501 CA ALA A 89 -2.497 14.534 -5.033 1.00 0.00 C ATOM 1502 C ALA A 89 -3.667 13.782 -4.382 1.00 0.00 C ATOM 1503 O ALA A 89 -3.510 12.660 -3.952 1.00 0.00 O ATOM 1504 CB ALA A 89 -2.252 15.861 -4.280 1.00 0.00 C ATOM 0 H ALA A 89 -2.795 15.825 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.632 13.874 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.086 15.654 -3.223 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.375 16.358 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.122 16.508 -4.391 1.00 0.00 H new ATOM 1510 N GLU A 90 -4.853 14.360 -4.337 1.00 0.00 N ATOM 1511 CA GLU A 90 -5.955 13.671 -3.659 1.00 0.00 C ATOM 1512 C GLU A 90 -6.490 12.579 -4.587 1.00 0.00 C ATOM 1513 O GLU A 90 -7.162 11.630 -4.168 1.00 0.00 O ATOM 1514 CB GLU A 90 -7.015 14.662 -3.183 1.00 0.00 C ATOM 1515 CG GLU A 90 -6.433 15.746 -2.221 1.00 0.00 C ATOM 1516 CD GLU A 90 -5.718 15.157 -0.985 1.00 0.00 C ATOM 1517 OE1 GLU A 90 -6.344 14.354 -0.264 1.00 0.00 O ATOM 1518 OE2 GLU A 90 -4.531 15.513 -0.728 1.00 0.00 O ATOM 0 H GLU A 90 -5.082 15.268 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.604 13.184 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.464 15.152 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.812 14.120 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.731 16.370 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.242 16.395 -1.887 1.00 0.00 H new ATOM 1525 N GLU A 91 -6.139 12.695 -5.860 1.00 0.00 N ATOM 1526 CA GLU A 91 -6.417 11.624 -6.805 1.00 0.00 C ATOM 1527 C GLU A 91 -5.659 10.400 -6.328 1.00 0.00 C ATOM 1528 O GLU A 91 -6.137 9.294 -6.483 1.00 0.00 O ATOM 1529 CB GLU A 91 -5.928 11.968 -8.209 1.00 0.00 C ATOM 1530 CG GLU A 91 -7.008 12.448 -9.154 1.00 0.00 C ATOM 1531 CD GLU A 91 -8.004 11.353 -9.518 1.00 0.00 C ATOM 1532 OE1 GLU A 91 -9.174 11.709 -9.774 1.00 0.00 O ATOM 1533 OE2 GLU A 91 -7.627 10.156 -9.560 1.00 0.00 O ATOM 0 H GLU A 91 -5.668 13.508 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.494 11.460 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.161 12.739 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.453 11.087 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.542 13.280 -8.696 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.545 12.829 -10.064 1.00 0.00 H new ATOM 1540 N GLU A 92 -4.482 10.574 -5.733 1.00 0.00 N ATOM 1541 CA GLU A 92 -3.732 9.410 -5.281 1.00 0.00 C ATOM 1542 C GLU A 92 -4.488 8.728 -4.156 1.00 0.00 C ATOM 1543 O GLU A 92 -4.413 7.527 -4.025 1.00 0.00 O ATOM 1544 CB GLU A 92 -2.287 9.758 -4.893 1.00 0.00 C ATOM 1545 CG GLU A 92 -1.993 9.959 -3.397 1.00 0.00 C ATOM 1546 CD GLU A 92 -1.959 8.677 -2.577 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -1.462 7.648 -3.075 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -2.443 8.702 -1.426 1.00 0.00 O ATOM 0 H GLU A 92 -4.040 11.477 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.644 8.710 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.637 8.964 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.006 10.671 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.033 10.465 -3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.750 10.622 -2.978 1.00 0.00 H new ATOM 1555 N LEU A 93 -5.241 9.482 -3.366 1.00 0.00 N ATOM 1556 CA LEU A 93 -6.036 8.893 -2.293 1.00 0.00 C ATOM 1557 C LEU A 93 -7.139 8.041 -2.920 1.00 0.00 C ATOM 1558 O LEU A 93 -7.478 6.963 -2.414 1.00 0.00 O ATOM 1559 CB LEU A 93 -6.628 9.984 -1.395 1.00 0.00 C ATOM 1560 CG LEU A 93 -7.347 9.507 -0.124 1.00 0.00 C ATOM 1561 CD1 LEU A 93 -6.408 8.739 0.816 1.00 0.00 C ATOM 1562 CD2 LEU A 93 -7.922 10.724 0.601 1.00 0.00 C ATOM 0 H LEU A 93 -5.319 10.496 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.403 8.266 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.823 10.657 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.332 10.569 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.143 8.822 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.959 8.421 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.013 7.863 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.583 9.386 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.436 10.399 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -7.113 11.405 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.628 11.237 -0.052 1.00 0.00 H new ATOM 1574 N GLU A 94 -7.683 8.493 -4.043 1.00 0.00 N ATOM 1575 CA GLU A 94 -8.660 7.663 -4.766 1.00 0.00 C ATOM 1576 C GLU A 94 -7.947 6.388 -5.254 1.00 0.00 C ATOM 1577 O GLU A 94 -8.491 5.282 -5.198 1.00 0.00 O ATOM 1578 CB GLU A 94 -9.283 8.408 -5.961 1.00 0.00 C ATOM 1579 CG GLU A 94 -9.986 9.734 -5.615 1.00 0.00 C ATOM 1580 CD GLU A 94 -11.228 9.568 -4.733 1.00 0.00 C ATOM 1581 OE1 GLU A 94 -11.747 10.603 -4.252 1.00 0.00 O ATOM 1582 OE2 GLU A 94 -11.687 8.421 -4.501 1.00 0.00 O ATOM 0 H GLU A 94 -7.479 9.397 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.475 7.415 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.499 8.611 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.004 7.748 -6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.277 10.388 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.274 10.233 -6.540 1.00 0.00 H new ATOM 1589 N GLN A 95 -6.711 6.531 -5.707 1.00 0.00 N ATOM 1590 CA GLN A 95 -5.939 5.375 -6.157 1.00 0.00 C ATOM 1591 C GLN A 95 -5.517 4.479 -4.971 1.00 0.00 C ATOM 1592 O GLN A 95 -5.267 3.297 -5.156 1.00 0.00 O ATOM 1593 CB GLN A 95 -4.705 5.795 -6.970 1.00 0.00 C ATOM 1594 CG GLN A 95 -4.966 6.728 -8.173 1.00 0.00 C ATOM 1595 CD GLN A 95 -6.151 6.319 -9.025 1.00 0.00 C ATOM 1596 OE1 GLN A 95 -6.247 5.181 -9.462 1.00 0.00 O ATOM 1597 NE2 GLN A 95 -7.050 7.246 -9.274 1.00 0.00 N ATOM 0 H GLN A 95 -6.222 7.424 -5.774 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.593 4.796 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.004 6.290 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.213 4.894 -7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -5.129 7.741 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.074 6.755 -8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -6.935 8.184 -8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -7.863 7.027 -9.850 1.00 0.00 H new ATOM 1606 N VAL A 96 -5.452 5.018 -3.756 1.00 0.00 N ATOM 1607 CA VAL A 96 -5.192 4.205 -2.554 1.00 0.00 C ATOM 1608 C VAL A 96 -6.432 3.370 -2.327 1.00 0.00 C ATOM 1609 O VAL A 96 -6.345 2.185 -2.010 1.00 0.00 O ATOM 1610 CB VAL A 96 -4.931 5.070 -1.267 1.00 0.00 C ATOM 1611 CG1 VAL A 96 -5.059 4.229 0.018 1.00 0.00 C ATOM 1612 CG2 VAL A 96 -3.555 5.694 -1.309 1.00 0.00 C ATOM 0 H VAL A 96 -5.575 6.013 -3.570 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.293 3.611 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.689 5.853 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.872 4.861 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.064 3.813 0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.331 3.418 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.397 6.288 -0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.801 4.909 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.473 6.336 -2.186 1.00 0.00 H new ATOM 1622 N ARG A 97 -7.598 3.975 -2.504 1.00 0.00 N ATOM 1623 CA ARG A 97 -8.841 3.225 -2.340 1.00 0.00 C ATOM 1624 C ARG A 97 -8.850 2.083 -3.348 1.00 0.00 C ATOM 1625 O ARG A 97 -9.263 0.989 -3.014 1.00 0.00 O ATOM 1626 CB ARG A 97 -10.062 4.138 -2.482 1.00 0.00 C ATOM 1627 CG ARG A 97 -10.161 5.138 -1.335 1.00 0.00 C ATOM 1628 CD ARG A 97 -11.016 6.339 -1.683 1.00 0.00 C ATOM 1629 NE ARG A 97 -10.960 7.333 -0.598 1.00 0.00 N ATOM 1630 CZ ARG A 97 -11.395 8.584 -0.679 1.00 0.00 C ATOM 1631 NH1 ARG A 97 -11.919 9.077 -1.763 1.00 0.00 N ATOM 1632 NH2 ARG A 97 -11.285 9.362 0.361 1.00 0.00 N ATOM 0 H ARG A 97 -7.713 4.957 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 97 -8.896 2.808 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -10.005 4.676 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -10.967 3.531 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.578 4.641 -0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.160 5.475 -1.064 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.667 6.786 -2.614 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -12.047 6.026 -1.847 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.553 7.035 0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.009 8.496 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -12.240 10.045 -1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.869 9.007 1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -11.615 10.326 0.314 1.00 0.00 H new ATOM 1646 N GLU A 98 -8.358 2.313 -4.558 1.00 0.00 N ATOM 1647 CA GLU A 98 -8.235 1.222 -5.539 1.00 0.00 C ATOM 1648 C GLU A 98 -7.106 0.217 -5.193 1.00 0.00 C ATOM 1649 O GLU A 98 -7.232 -0.969 -5.482 1.00 0.00 O ATOM 1650 CB GLU A 98 -8.036 1.781 -6.948 1.00 0.00 C ATOM 1651 CG GLU A 98 -9.313 2.389 -7.546 1.00 0.00 C ATOM 1652 CD GLU A 98 -10.458 1.372 -7.656 1.00 0.00 C ATOM 1653 OE1 GLU A 98 -11.588 1.675 -7.203 1.00 0.00 O ATOM 1654 OE2 GLU A 98 -10.234 0.265 -8.192 1.00 0.00 O ATOM 0 H GLU A 98 -8.041 3.224 -4.888 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.172 0.667 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -7.257 2.543 -6.923 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.681 0.984 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.635 3.227 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.091 2.789 -8.535 1.00 0.00 H new ATOM 1661 N ALA A 99 -6.025 0.669 -4.561 1.00 0.00 N ATOM 1662 CA ALA A 99 -4.952 -0.234 -4.097 1.00 0.00 C ATOM 1663 C ALA A 99 -5.596 -1.213 -3.099 1.00 0.00 C ATOM 1664 O ALA A 99 -5.461 -2.442 -3.199 1.00 0.00 O ATOM 1665 CB ALA A 99 -3.828 0.565 -3.416 1.00 0.00 C ATOM 0 H ALA A 99 -5.861 1.654 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.505 -0.768 -4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.047 -0.118 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.407 1.278 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.232 1.103 -2.558 1.00 0.00 H new ATOM 1671 N LEU A 100 -6.319 -0.645 -2.142 1.00 0.00 N ATOM 1672 CA LEU A 100 -6.990 -1.434 -1.115 1.00 0.00 C ATOM 1673 C LEU A 100 -8.081 -2.308 -1.726 1.00 0.00 C ATOM 1674 O LEU A 100 -8.320 -3.404 -1.263 1.00 0.00 O ATOM 1675 CB LEU A 100 -7.591 -0.515 -0.044 1.00 0.00 C ATOM 1676 CG LEU A 100 -6.578 0.303 0.781 1.00 0.00 C ATOM 1677 CD1 LEU A 100 -7.328 1.316 1.647 1.00 0.00 C ATOM 1678 CD2 LEU A 100 -5.706 -0.589 1.670 1.00 0.00 C ATOM 0 H LEU A 100 -6.456 0.362 -2.055 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.249 -2.084 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -8.279 0.177 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.182 -1.124 0.641 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.918 0.817 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.613 1.895 2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.902 1.987 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.004 0.789 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.007 0.030 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.340 -1.143 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.150 -1.290 1.048 1.00 0.00 H new ATOM 1690 N ARG A 101 -8.731 -1.830 -2.777 1.00 0.00 N ATOM 1691 CA ARG A 101 -9.761 -2.611 -3.472 1.00 0.00 C ATOM 1692 C ARG A 101 -9.151 -3.807 -4.193 1.00 0.00 C ATOM 1693 O ARG A 101 -9.748 -4.877 -4.268 1.00 0.00 O ATOM 1694 CB ARG A 101 -10.478 -1.715 -4.472 1.00 0.00 C ATOM 1695 CG ARG A 101 -11.792 -2.246 -4.955 1.00 0.00 C ATOM 1696 CD ARG A 101 -12.386 -1.230 -5.888 1.00 0.00 C ATOM 1697 NE ARG A 101 -13.791 -1.511 -6.194 1.00 0.00 N ATOM 1698 CZ ARG A 101 -14.555 -0.759 -6.976 1.00 0.00 C ATOM 1699 NH1 ARG A 101 -14.111 0.329 -7.557 1.00 0.00 N ATOM 1700 NH2 ARG A 101 -15.797 -1.109 -7.169 1.00 0.00 N ATOM 0 H ARG A 101 -8.568 -0.904 -3.173 1.00 0.00 H new ATOM 0 HA ARG A 101 -10.470 -2.988 -2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.642 -0.740 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.826 -1.558 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.654 -3.199 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.461 -2.430 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.305 -0.239 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.812 -1.211 -6.814 1.00 0.00 H new ATOM 0 HE ARG A 101 -14.211 -2.342 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.145 0.625 -7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.731 0.879 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -16.166 -1.948 -6.722 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.399 -0.543 -7.767 1.00 0.00 H new ATOM 1714 N LYS A 102 -7.948 -3.640 -4.721 1.00 0.00 N ATOM 1715 CA LYS A 102 -7.246 -4.756 -5.354 1.00 0.00 C ATOM 1716 C LYS A 102 -6.924 -5.770 -4.262 1.00 0.00 C ATOM 1717 O LYS A 102 -7.075 -6.967 -4.471 1.00 0.00 O ATOM 1718 CB LYS A 102 -5.977 -4.271 -6.069 1.00 0.00 C ATOM 1719 CG LYS A 102 -5.222 -5.369 -6.831 1.00 0.00 C ATOM 1720 CD LYS A 102 -4.026 -4.780 -7.590 1.00 0.00 C ATOM 1721 CE LYS A 102 -3.186 -5.855 -8.301 1.00 0.00 C ATOM 1722 NZ LYS A 102 -2.316 -6.652 -7.360 1.00 0.00 N ATOM 0 H LYS A 102 -7.439 -2.756 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.870 -5.219 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.248 -3.480 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.306 -3.829 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -4.876 -6.131 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -5.896 -5.862 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -4.386 -4.061 -8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.392 -4.232 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.853 -6.535 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -2.555 -5.377 -9.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.908 -7.463 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.550 -6.048 -7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.890 -6.996 -6.564 1.00 0.00 H new ATOM 1736 N ALA A 103 -6.504 -5.289 -3.098 1.00 0.00 N ATOM 1737 CA ALA A 103 -6.205 -6.179 -1.972 1.00 0.00 C ATOM 1738 C ALA A 103 -7.474 -6.911 -1.498 1.00 0.00 C ATOM 1739 O ALA A 103 -7.443 -8.101 -1.212 1.00 0.00 O ATOM 1740 CB ALA A 103 -5.596 -5.375 -0.820 1.00 0.00 C ATOM 0 H ALA A 103 -6.362 -4.297 -2.905 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.486 -6.928 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.376 -6.042 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -4.675 -4.899 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.303 -4.611 -0.496 1.00 0.00 H new ATOM 1746 N GLU A 104 -8.577 -6.182 -1.437 1.00 0.00 N ATOM 1747 CA GLU A 104 -9.881 -6.722 -1.042 1.00 0.00 C ATOM 1748 C GLU A 104 -10.267 -7.867 -1.974 1.00 0.00 C ATOM 1749 O GLU A 104 -10.634 -8.952 -1.527 1.00 0.00 O ATOM 1750 CB GLU A 104 -10.918 -5.589 -1.127 1.00 0.00 C ATOM 1751 CG GLU A 104 -12.361 -5.960 -0.828 1.00 0.00 C ATOM 1752 CD GLU A 104 -13.310 -4.805 -1.169 1.00 0.00 C ATOM 1753 OE1 GLU A 104 -13.963 -4.268 -0.248 1.00 0.00 O ATOM 1754 OE2 GLU A 104 -13.392 -4.427 -2.366 1.00 0.00 O ATOM 0 H GLU A 104 -8.599 -5.187 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.840 -7.108 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.619 -4.802 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.877 -5.165 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.639 -6.844 -1.402 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.462 -6.219 0.226 1.00 0.00 H new ATOM 1761 N LYS A 105 -10.166 -7.630 -3.274 1.00 0.00 N ATOM 1762 CA LYS A 105 -10.502 -8.656 -4.257 1.00 0.00 C ATOM 1763 C LYS A 105 -9.606 -9.875 -4.100 1.00 0.00 C ATOM 1764 O LYS A 105 -10.080 -11.005 -4.174 1.00 0.00 O ATOM 1765 CB LYS A 105 -10.362 -8.107 -5.676 1.00 0.00 C ATOM 1766 CG LYS A 105 -10.829 -9.101 -6.728 1.00 0.00 C ATOM 1767 CD LYS A 105 -10.513 -8.636 -8.124 1.00 0.00 C ATOM 1768 CE LYS A 105 -10.949 -9.701 -9.118 1.00 0.00 C ATOM 1769 NZ LYS A 105 -10.532 -9.356 -10.512 1.00 0.00 N ATOM 0 H LYS A 105 -9.857 -6.744 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.537 -8.952 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.940 -7.187 -5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.320 -7.848 -5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.354 -10.066 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.904 -9.253 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -11.025 -7.697 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.444 -8.445 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -10.518 -10.661 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.032 -9.814 -9.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.846 -10.104 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.964 -8.452 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.496 -9.272 -10.554 1.00 0.00 H new ATOM 1783 N GLU A 106 -8.317 -9.648 -3.897 1.00 0.00 N ATOM 1784 CA GLU A 106 -7.375 -10.752 -3.747 1.00 0.00 C ATOM 1785 C GLU A 106 -7.726 -11.557 -2.508 1.00 0.00 C ATOM 1786 O GLU A 106 -7.745 -12.784 -2.550 1.00 0.00 O ATOM 1787 CB GLU A 106 -5.937 -10.240 -3.652 1.00 0.00 C ATOM 1788 CG GLU A 106 -5.370 -9.822 -4.998 1.00 0.00 C ATOM 1789 CD GLU A 106 -3.980 -9.217 -4.889 1.00 0.00 C ATOM 1790 OE1 GLU A 106 -3.266 -9.484 -3.901 1.00 0.00 O ATOM 1791 OE2 GLU A 106 -3.593 -8.471 -5.817 1.00 0.00 O ATOM 0 H GLU A 106 -7.900 -8.719 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.447 -11.390 -4.628 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.903 -9.391 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.306 -11.019 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.333 -10.690 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.041 -9.098 -5.461 1.00 0.00 H new ATOM 1798 N LEU A 107 -8.022 -10.870 -1.412 1.00 0.00 N ATOM 1799 CA LEU A 107 -8.378 -11.544 -0.169 1.00 0.00 C ATOM 1800 C LEU A 107 -9.632 -12.387 -0.354 1.00 0.00 C ATOM 1801 O LEU A 107 -9.685 -13.518 0.117 1.00 0.00 O ATOM 1802 CB LEU A 107 -8.593 -10.520 0.951 1.00 0.00 C ATOM 1803 CG LEU A 107 -8.953 -11.101 2.332 1.00 0.00 C ATOM 1804 CD1 LEU A 107 -7.899 -12.101 2.830 1.00 0.00 C ATOM 1805 CD2 LEU A 107 -9.097 -9.956 3.334 1.00 0.00 C ATOM 0 H LEU A 107 -8.023 -9.851 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.555 -12.203 0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.685 -9.926 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.387 -9.838 0.647 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.894 -11.643 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.194 -12.485 3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.820 -12.928 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.934 -11.601 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.352 -10.360 4.314 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.156 -9.410 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -9.886 -9.280 3.004 1.00 0.00 H new ATOM 1817 N GLU A 108 -10.629 -11.858 -1.049 1.00 0.00 N ATOM 1818 CA GLU A 108 -11.854 -12.619 -1.302 1.00 0.00 C ATOM 1819 C GLU A 108 -11.509 -13.909 -2.055 1.00 0.00 C ATOM 1820 O GLU A 108 -11.918 -15.005 -1.650 1.00 0.00 O ATOM 1821 CB GLU A 108 -12.853 -11.791 -2.117 1.00 0.00 C ATOM 1822 CG GLU A 108 -13.552 -10.692 -1.317 1.00 0.00 C ATOM 1823 CD GLU A 108 -14.599 -11.247 -0.360 1.00 0.00 C ATOM 1824 OE1 GLU A 108 -15.590 -11.841 -0.842 1.00 0.00 O ATOM 1825 OE2 GLU A 108 -14.439 -11.082 0.869 1.00 0.00 O ATOM 0 H GLU A 108 -10.620 -10.918 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.315 -12.865 -0.345 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.330 -11.336 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.608 -12.458 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -12.809 -10.129 -0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -14.027 -9.992 -2.004 1.00 0.00 H new ATOM 1832 N SER A 109 -10.742 -13.798 -3.134 1.00 0.00 N ATOM 1833 CA SER A 109 -10.363 -14.975 -3.926 1.00 0.00 C ATOM 1834 C SER A 109 -9.553 -15.972 -3.108 1.00 0.00 C ATOM 1835 O SER A 109 -9.669 -17.187 -3.289 1.00 0.00 O ATOM 1836 CB SER A 109 -9.551 -14.556 -5.151 1.00 0.00 C ATOM 1837 OG SER A 109 -8.669 -13.488 -4.847 1.00 0.00 O ATOM 0 H SER A 109 -10.370 -12.915 -3.483 1.00 0.00 H new ATOM 0 HA SER A 109 -11.287 -15.458 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.980 -15.408 -5.519 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.227 -14.255 -5.952 1.00 0.00 H new ATOM 0 HG SER A 109 -8.261 -13.640 -3.969 1.00 0.00 H new ATOM 1843 N HIS A 110 -8.741 -15.475 -2.192 1.00 0.00 N ATOM 1844 CA HIS A 110 -7.915 -16.356 -1.388 1.00 0.00 C ATOM 1845 C HIS A 110 -8.751 -17.002 -0.281 1.00 0.00 C ATOM 1846 O HIS A 110 -8.387 -18.046 0.246 1.00 0.00 O ATOM 1847 CB HIS A 110 -6.750 -15.579 -0.768 1.00 0.00 C ATOM 1848 CG HIS A 110 -5.781 -15.017 -1.767 1.00 0.00 C ATOM 1849 ND1 HIS A 110 -5.570 -15.513 -3.036 1.00 0.00 N ATOM 1850 CD2 HIS A 110 -4.936 -13.954 -1.664 1.00 0.00 C ATOM 1851 CE1 HIS A 110 -4.638 -14.767 -3.622 1.00 0.00 C ATOM 1852 NE2 HIS A 110 -4.210 -13.802 -2.829 1.00 0.00 N ATOM 0 H HIS A 110 -8.637 -14.481 -1.988 1.00 0.00 H new ATOM 0 HA HIS A 110 -7.515 -17.137 -2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -7.152 -14.761 -0.169 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.211 -16.238 -0.087 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -6.046 -16.313 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -4.846 -13.320 -0.794 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -4.275 -14.931 -4.626 1.00 0.00 H new ATOM 1860 N SER A 111 -9.881 -16.395 0.052 1.00 0.00 N ATOM 1861 CA SER A 111 -10.785 -16.937 1.069 1.00 0.00 C ATOM 1862 C SER A 111 -11.904 -17.782 0.463 1.00 0.00 C ATOM 1863 O SER A 111 -12.593 -18.505 1.173 1.00 0.00 O ATOM 1864 CB SER A 111 -11.410 -15.800 1.877 1.00 0.00 C ATOM 1865 OG SER A 111 -12.313 -15.045 1.087 1.00 0.00 O ATOM 0 H SER A 111 -10.199 -15.521 -0.367 1.00 0.00 H new ATOM 0 HA SER A 111 -10.185 -17.579 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.933 -16.209 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.625 -15.148 2.260 1.00 0.00 H new ATOM 0 HG SER A 111 -12.059 -15.115 0.143 1.00 0.00 H new ATOM 1871 N SER A 112 -12.075 -17.697 -0.852 1.00 0.00 N ATOM 1872 CA SER A 112 -13.160 -18.407 -1.555 1.00 0.00 C ATOM 1873 C SER A 112 -13.080 -19.950 -1.622 1.00 0.00 C ATOM 1874 O SER A 112 -13.867 -20.548 -2.335 1.00 0.00 O ATOM 1875 CB SER A 112 -13.285 -17.856 -2.979 1.00 0.00 C ATOM 1876 OG SER A 112 -13.712 -16.504 -2.972 1.00 0.00 O ATOM 0 H SER A 112 -11.477 -17.142 -1.464 1.00 0.00 H new ATOM 0 HA SER A 112 -14.037 -18.212 -0.938 1.00 0.00 H new ATOM 0 HB2 SER A 112 -12.324 -17.933 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 112 -13.994 -18.461 -3.544 1.00 0.00 H new ATOM 0 HG SER A 112 -13.051 -15.954 -2.502 1.00 0.00 H new ATOM 1882 N TRP A 113 -12.154 -20.560 -0.877 1.00 0.00 N ATOM 1883 CA TRP A 113 -12.001 -22.035 -0.733 1.00 0.00 C ATOM 1884 C TRP A 113 -12.407 -22.950 -1.910 1.00 0.00 C ATOM 1885 O TRP A 113 -13.581 -23.267 -2.110 1.00 0.00 O ATOM 1886 CB TRP A 113 -12.771 -22.484 0.529 1.00 0.00 C ATOM 1887 CG TRP A 113 -12.809 -24.010 0.775 1.00 0.00 C ATOM 1888 CD1 TRP A 113 -13.697 -24.902 0.258 1.00 0.00 C ATOM 1889 CD2 TRP A 113 -11.938 -24.800 1.615 1.00 0.00 C ATOM 1890 NE1 TRP A 113 -13.455 -26.169 0.687 1.00 0.00 N ATOM 1891 CE2 TRP A 113 -12.388 -26.153 1.536 1.00 0.00 C ATOM 1892 CE3 TRP A 113 -10.834 -24.503 2.432 1.00 0.00 C ATOM 1893 CZ2 TRP A 113 -11.765 -27.201 2.248 1.00 0.00 C ATOM 1894 CZ3 TRP A 113 -10.200 -25.553 3.149 1.00 0.00 C ATOM 1895 CH2 TRP A 113 -10.676 -26.893 3.047 1.00 0.00 C ATOM 0 H TRP A 113 -11.464 -20.038 -0.337 1.00 0.00 H new ATOM 0 HA TRP A 113 -10.921 -22.169 -0.681 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -12.321 -22.004 1.398 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -13.796 -22.119 0.458 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -14.499 -24.635 -0.414 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.986 -26.997 0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -10.472 -23.489 2.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.128 -28.215 2.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.349 -25.334 3.777 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.181 -27.678 3.600 1.00 0.00 H new